
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  276 ( 2098),  selected  272 , name one
# Molecule2: number of CA atoms  416 ( 3185),  selected  272 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     385_C - 412_C       4.86    60.66
  LONGEST_CONTINUOUS_SEGMENT:    28     386_C - 413_C       4.98    62.06
  LCS_AVERAGE:      4.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15     112_C - 126_C       1.85    43.40
  LCS_AVERAGE:      1.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12     115_C - 126_C       0.28    44.73
  LONGEST_CONTINUOUS_SEGMENT:    12     384_C - 395_C       0.62    56.06
  LCS_AVERAGE:      1.37

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  272
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     9_C     G     9_C      3    3   15      3    3    3    3    3    4    4    5    6   12   12   15   16   18   24   25   25   30   33   35 
LCS_GDT     P    10_C     P    10_C      3    4   15      3    3    3    4    4    6    7    8    9   12   15   17   21   22   25   28   32   36   38   40 
LCS_GDT     V    11_C     V    11_C      3    4   15      3    3    3    4    4    4    5    7    9   11   13   20   23   24   25   29   31   34   45   50 
LCS_GDT     G    12_C     G    12_C      3    4   15      3    3    3    4    5    5    7    8    9   12   16   20   23   24   25   28   31   41   45   50 
LCS_GDT     P    13_C     P    13_C      3    4   15      3    3    3    4    5    6    8    9   10   12   16   20   23   24   26   31   37   41   45   50 
LCS_GDT     A    14_C     A    14_C      3    3   15      3    3    3    4    5    6    8    9   11   12   16   20   23   25   28   32   37   41   45   50 
LCS_GDT     P    15_C     P    15_C      4    4   15      3    4    4    4    4    7    8   10   11   14   16   20   24   26   28   32   37   41   45   50 
LCS_GDT     L    16_C     L    16_C      4    5   15      3    4    4    4    5    7    8   10   14   14   16   20   24   26   28   32   37   41   45   50 
LCS_GDT     P    17_C     P    17_C      4    5   15      3    4    4    4    4    8    9   10   11   14   15   20   23   25   28   32   37   41   45   50 
LCS_GDT     H    18_C     H    18_C      4    5   15      3    4    4    4    4    7    9   10   11   14   16   20   24   26   28   32   37   41   45   50 
LCS_GDT     Q    19_C     Q    19_C      5    8   15      3    4    5    6    8    8    9   10   13   15   17   20   24   26   28   32   37   41   45   50 
LCS_GDT     V    20_C     V    20_C      5    8   15      3    4    5    6    8    8    9   10   10   13   17   20   23   27   28   32   37   41   45   50 
LCS_GDT     V    21_C     V    21_C      5    8   15      3    4    5    6    8    8    9   10   10   12   17   18   21   23   28   30   32   36   38   40 
LCS_GDT     Y    22_C     Y    22_C      5    8   15      3    4    5    6    8    8    9   10   13   15   17   18   21   22   25   31   32   36   38   42 
LCS_GDT     T    23_C     T    23_C      5    8   15      3    4    5    6    8    8    9   10   13   15   17   18   20   21   24   27   32   36   38   41 
LCS_GDT     T    24_C     T    24_C      4    8   15      3    4    4    6    8    8    9   10   10   15   17   18   20   21   24   26   27   31   34   36 
LCS_GDT     L    25_C     L    25_C      4    8   15      3    4    4    6    8    8    9   10   13   15   17   18   20   21   24   26   31   36   39   41 
LCS_GDT     H    26_C     H    26_C      3    8   15      3    3    4    4    8    8    9   10   12   16   19   22   27   30   35   36   38   39   41   41 
LCS_GDT     Y    27_C     Y    27_C      3    5   15      3    3    4    4    4    5    8   10   12   17   20   24   27   30   35   36   38   39   41   41 
LCS_GDT     D    28_C     D    28_C      3    5   15      3    3    4    4    6    7   10   11   16   18   21   24   27   30   35   36   38   39   41   41 
LCS_GDT     K    47_C     K    47_C      4    4   17      3    4    4    4    5    7   11   13   13   15   20   23   23   25   27   32   37   41   45   50 
LCS_GDT     I    48_C     I    48_C      4    4   17      3    4    4    4    5    6   11   13   13   15   17   23   23   25   27   29   37   41   45   50 
LCS_GDT     L    49_C     L    49_C      4    6   17      3    4    4    5    5    8   11   11   13   15   19   22   23   24   27   29   32   36   44   50 
LCS_GDT     E    50_C     E    50_C      4    6   17      3    4    4    5    5    8   11   13   13   16   19   22   23   25   27   29   31   34   36   40 
LCS_GDT     E    51_C     E    51_C      3    6   17      3    3    3    4    5    8   10   11   13   16   19   22   23   25   27   29   31   34   36   40 
LCS_GDT     K    52_C     K    52_C      4   12   17      3    3    6    9   10   10   12   13   13   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     I    53_C     I    53_C     11   12   17      6    9   11   11   11   11   12   13   13   15   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     A    54_C     A    54_C     11   12   17      6    9   11   11   11   11   12   13   13   15   17   18   20   21   23   26   31   33   34   35 
LCS_GDT     P    55_C     P    55_C     11   12   17      6    9   11   11   11   11   12   13   13   15   17   18   21   22   26   30   30   34   36   40 
LCS_GDT     A    56_C     A    56_C     11   12   17      6    9   11   11   11   11   12   13   13   15   17   20   21   24   28   30   33   35   41   50 
LCS_GDT     D    57_C     D    57_C     11   12   17      6    9   11   11   11   11   12   13   13   15   17   20   21   24   28   30   37   41   45   50 
LCS_GDT     V    58_C     V    58_C     11   12   17      6    9   11   11   11   11   12   13   13   15   17   21   21   26   28   32   37   41   45   50 
LCS_GDT     I    59_C     I    59_C     11   12   17      5    9   11   11   11   11   12   13   15   16   19   21   21   26   28   32   37   41   45   50 
LCS_GDT     E    60_C     E    60_C     11   12   17      5    9   11   11   11   11   12   13   15   18   19   21   24   27   28   32   37   41   45   50 
LCS_GDT     M    61_C     M    61_C     11   12   17      5    9   11   11   11   11   12   13   15   18   18   21   24   27   28   32   37   41   45   50 
LCS_GDT     V    62_C     V    62_C     11   12   17      5    9   11   11   11   11   12   12   15   18   19   21   24   27   28   32   37   41   45   50 
LCS_GDT     K    63_C     K    63_C     11   12   17      5    9   11   11   11   11   12   12   13   13   18   19   24   26   28   31   32   39   43   48 
LCS_GDT     G    87_C     G    87_C      3    7   10      0    3    5    6    6    7    7   10   12   16   18   20   24   27   28   32   37   41   45   50 
LCS_GDT     T    88_C     T    88_C      3    7   10      1    3    5    6    6    7   12   12   14   14   18   20   24   27   28   32   37   41   45   50 
LCS_GDT     M    89_C     M    89_C      5    7   10      1    4    5    6    6    7   12   12   14   16   18   20   24   27   28   32   37   41   45   50 
LCS_GDT     Q    90_C     Q    90_C      5    7   10      4    4    5    6    6    7   12   12   14   14   16   19   24   26   28   32   37   41   45   50 
LCS_GDT     K    91_C     K    91_C      5    7   10      4    4    5    6    6    7    7    9   11   13   14   17   20   26   27   31   32   39   45   50 
LCS_GDT     Y    92_C     Y    92_C      5    7   25      4    4    5    6    6    9    9   11   13   16   19   22   25   28   30   33   36   38   41   45 
LCS_GDT     I    93_C     I    93_C      5    7   25      4    4    5    6    6    9   11   13   16   19   21   24   25   30   35   36   38   39   41   45 
LCS_GDT     L    94_C     L    94_C      3    8   25      3    3    5    5    6    9   10   13   16   19   21   24   27   30   35   36   38   39   41   45 
LCS_GDT     C    95_C     C    95_C      3    8   25      3    3    4    5    8    8   10   11   16   19   21   24   27   30   35   36   38   39   41   45 
LCS_GDT     N    96_C     N    96_C      3    8   25      3    3    4    5    8    8   10   11   16   19   21   24   27   30   35   36   38   39   41   45 
LCS_GDT     S    97_C     S    97_C      3    8   25      3    3    4    5    8    8   10   12   16   19   22   24   27   30   35   36   38   39   41   45 
LCS_GDT     D    98_C     D    98_C      4    8   25      3    4    5    5    8    8   10   11   16   18   21   22   27   30   35   36   38   39   41   45 
LCS_GDT     E    99_C     E    99_C      4    8   25      3    4    5    5    8    8   10   11   16   18   21   22   23   30   35   36   38   39   41   41 
LCS_GDT     S   100_C     S   100_C      4    8   25      4    4    5    5    6    8   10   12   16   19   21   24   27   30   35   36   38   39   41   41 
LCS_GDT     E   101_C     E   101_C      4    8   25      4    4    5    5    6    8   11   13   16   19   21   24   27   30   35   36   38   39   41   41 
LCS_GDT     P   102_C     P   102_C      4    6   25      4    4    5    5    6    6    9   12   16   19   21   24   27   30   35   36   38   39   41   41 
LCS_GDT     G   103_C     G   103_C      4    6   25      4    4    5    5    6    7    9   10   15   19   21   24   27   30   35   36   38   39   41   41 
LCS_GDT     T   104_C     T   104_C      3    5   25      3    3    4    6    7   11   12   14   16   19   21   24   27   30   35   36   38   39   41   41 
LCS_GDT     C   105_C     C   105_C      3    5   25      3    3    3    5   10   11   12   14   16   19   21   24   27   30   35   36   38   39   41   43 
LCS_GDT     K   106_C     K   106_C      3    8   25      3    3    3    4    6   10   12   13   15   19   20   24   27   30   35   36   38   39   41   43 
LCS_GDT     D   107_C     D   107_C      8   10   26      3    6    8    8    8   10   10   11   12   14   17   17   20   26   32   35   38   39   41   43 
LCS_GDT     R   108_C     R   108_C      8   10   27      3    6    8    9   10   11   13   17   18   20   24   27   29   31   35   36   38   39   43   46 
LCS_GDT     D   109_C     D   109_C      8   10   27      4    6    8    9   10   14   16   17   18   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     I   110_C     I   110_C      8   10   27      4    6    8    9   10   11   12   14   17   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     L   111_C     L   111_C      8   10   27      4    6    8    9   10   11   12   17   18   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     R   112_C     R   112_C      8   15   27      4   13   13   13   14   14   16   17   19   21   23   27   29   31   35   36   38   42   43   47 
LCS_GDT     Y   113_C     Y   113_C      8   15   27      4    6    8    9   10   12   16   17   19   21   23   26   29   31   35   36   38   42   43   47 
LCS_GDT     N   114_C     N   114_C      8   15   27      4    6    8    9   13   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     P   115_C     P   115_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     H   116_C     H   116_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   33   35   38   42   43   47 
LCS_GDT     S   117_C     S   117_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   33   36   38   42   43   47 
LCS_GDT     V   118_C     V   118_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     V   119_C     V   119_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     E   120_C     E   120_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     G   121_C     G   121_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     M   122_C     M   122_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     A   123_C     A   123_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     I   124_C     I   124_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     A   125_C     A   125_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   33   35   38   42   43   47 
LCS_GDT     C   126_C     C   126_C     12   15   27     12   13   13   13   14   15   16   17   19   21   24   27   29   31   35   36   38   42   43   47 
LCS_GDT     Y   127_C     Y   127_C      4   13   27      4    4    4    5    5    7   10   12   18   21   23   27   29   31   35   36   38   42   43   47 
LCS_GDT     A   128_C     A   128_C      4    7   27      4    4    5    5    6    8   10   11   12   17   19   24   27   30   35   36   38   40   43   46 
LCS_GDT     T   129_C     T   129_C      4    7   27      4    4    5    5    7   13   15   16   18   21   24   27   29   31   33   35   38   40   43   46 
LCS_GDT     G   130_C     G   130_C      4    7   27      3    4    5    8   11   13   15   16   19   21   24   27   29   31   35   36   38   40   43   46 
LCS_GDT     S   131_C     S   131_C      4    7   27      3    4    4    4    6    8   14   16   19   20   23   26   29   31   33   35   38   40   43   46 
LCS_GDT     T   132_C     T   132_C      3    7   27      3    3    3    4    5    6   10   15   19   21   24   27   29   31   33   35   38   42   43   47 
LCS_GDT     V   133_C     V   133_C      4    7   27      3    3    5    5    6    8   10   10   12   13   16   23   26   30   33   35   38   42   43   47 
LCS_GDT     G   134_C     G   134_C      4    7   27      3    3    5    5    6    8   10   10   12   13   16   22   26   30   33   35   38   42   43   47 
LCS_GDT     Y   135_C     Y   135_C      4    4   27      3    3    5    5    6    6    8   10   15   19   21   24   26   30   33   35   38   42   43   47 
LCS_GDT     N   136_C     N   136_C      4    4   25      3    3    4    4    6    6    8   10   13   17   21   24   26   29   32   35   38   42   43   47 
LCS_GDT     Y   137_C     Y   137_C      3    4   21      3    3    3    4    4    7    8    9   12   14   21   23   25   27   29   33   35   36   40   44 
LCS_GDT     L   138_C     L   138_C      3    5   21      3    3    3    4    6    7    9   12   12   16   17   20   23   23   28   30   33   36   39   42 
LCS_GDT     R   139_C     R   139_C      4    6   21      4    4    4    5    7    9   10   12   14   16   17   20   23   23   28   30   33   36   40   42 
LCS_GDT     G   140_C     G   140_C      4    6   21      4    4    4    5    7    7    9   11   14   16   17   20   23   26   28   32   37   41   45   50 
LCS_GDT     E   141_C     E   141_C      4    7   21      4    4    4    5    8   10   12   13   14   16   17   20   23   23   27   32   37   41   45   50 
LCS_GDT     F   142_C     F   142_C      4   11   21      4    4    5    5    9   10   12   13   14   16   17   20   23   23   26   29   33   36   39   41 
LCS_GDT     H   143_C     H   143_C      4   11   21      3    4    5    6   10   10   12   13   14   16   17   19   22   24   27   31   32   36   41   48 
LCS_GDT     H   144_C     H   144_C      9   11   21      4    7    9    9   10   10   12   13   14   16   17   19   22   25   29   30   33   36   41   43 
LCS_GDT     E   145_C     E   145_C      9   11   21      5    8    9    9   10   10   12   13   14   16   18   23   25   27   29   33   35   38   41   45 
LCS_GDT     P   146_C     P   146_C      9   11   21      5    8    9    9   10   10   12   13   14   19   21   24   26   29   32   35   37   41   45   50 
LCS_GDT     F   147_C     F   147_C      9   11   21      5    8    9   13   14   15   16   17   19   20   23   26   28   30   33   35   38   42   45   50 
LCS_GDT     E   148_C     E   148_C      9   11   21      5    8    9    9   10   15   16   17   18   20   22   26   28   30   33   35   38   41   45   50 
LCS_GDT     N   149_C     N   149_C      9   11   21      4    8    9    9   10   10   12   13   14   16   17   23   26   27   29   32   37   41   45   50 
LCS_GDT     F   150_C     F   150_C      9   11   21      5    8    9    9   10   10   12   13   14   16   17   18   21   22   28   32   37   41   45   50 
LCS_GDT     E   151_C     E   151_C      9   11   21      4    8    9    9   10   10   12   13   14   16   17   17   21   22   25   31   32   36   45   50 
LCS_GDT     L   152_C     L   152_C      9   11   21      3    8    9    9   10   10   12   13   14   16   19   22   23   25   28   32   37   41   45   50 
LCS_GDT     A   153_C     A   153_C      4   11   21      3    3    5    7   10   10   12   13   14   16   20   23   23   25   27   31   32   41   45   50 
LCS_GDT     L   154_C     L   154_C      4   11   21      3    3    5    5    9   10   11   13   14   16   20   23   23   25   27   28   31   33   35   37 
LCS_GDT     A   155_C     A   155_C      3    6   21      0    3    3    4    6    9   10   12   14   15   20   23   23   25   27   29   30   33   34   35 
LCS_GDT     L   180_C     L   180_C      3    3   18      3    3    3    4    4    4    6    8   12   12   14   17   18   24   27   35   37   40   41   43 
LCS_GDT     G   181_C     G   181_C      3    4   15      3    3    3    4    6    6    7   11   15   21   23   27   29   31   33   35   38   42   43   47 
LCS_GDT     A   182_C     A   182_C      3    4   15      3    3    3    5    6    6   15   16   18   21   24   27   29   31   33   35   38   42   43   47 
LCS_GDT     G   183_C     G   183_C      3    4   15      3    3    3    5    6    6    7   11   15   21   23   26   29   31   35   42   44   47   49   50 
LCS_GDT     A   184_C     A   184_C      4    5   15      4    4    4    5    6    6    8   11   15   21   24   27   29   31   33   35   43   47   49   50 
LCS_GDT     Y   185_C     Y   185_C      4    5   15      4    4    4    5    5    7    8   16   17   21   23   26   29   33   36   42   44   47   49   50 
LCS_GDT     I   186_C     I   186_C      4    6   15      4    4    4    5    6    7    8   10   14   15   20   22   28   33   36   42   44   47   49   50 
LCS_GDT     C   187_C     C   187_C      4    6   15      4    4    4    5    5    6    7   10   14   15   20   22   28   33   36   42   44   47   49   50 
LCS_GDT     G   188_C     G   188_C      4    6   15      3    4    4    5    5    6    8   10   14   15   20   22   28   33   36   42   44   47   49   50 
LCS_GDT     E   189_C     E   189_C      4    6   15      3    4    4    5    5    5    6    9   13   14   14   17   24   27   31   35   42   47   49   50 
LCS_GDT     E   190_C     E   190_C      4    6   15      3    4    4    5    5    5    6    9   13   14   14   17   22   23   26   28   30   35   41   43 
LCS_GDT     T   191_C     T   191_C      4    6   15      3    4    4    5    5    5    6    8    8   11   13   17   20   23   23   29   33   37   41   43 
LCS_GDT     A   192_C     A   192_C      4    4   15      3    3    4    5    6    6    7    9   13   21   24   27   29   31   33   35   38   42   43   47 
LCS_GDT     L   193_C     L   193_C      4    4   15      3    3    4    5    6    6    7   17   18   21   24   27   29   31   33   35   38   42   43   47 
LCS_GDT     M   194_C     M   194_C      4    4   15      3    3    4    5    5    6    7    8    9   11   22   22   25   26   27   30   35   38   41   43 
LCS_GDT     G   261_C     G   261_C      3    5   18      3    3    5    6   10   11   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     C   262_C     C   262_C      4    5   18      3    4    5    6   10   11   12   13   15   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     V   263_C     V   263_C      4    5   18      3    4    4    6   10   11   12   13   15   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     Q   264_C     Q   264_C      4    5   18      3    4    4    6   10   11   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     K   265_C     K   265_C      4    5   18      3    4    4    6    6    6    9   11   14   16   22   27   32   34   37   42   44   47   49   50 
LCS_GDT     G   266_C     G   266_C      4    5   18      3    3    4    4    8    9   11   12   15   15   16   19   27   33   36   42   44   47   49   50 
LCS_GDT     G   267_C     G   267_C      4    5   18      3    3    4    4    8    9   11   12   15   15   16   16   18   23   25   26   36   40   42   46 
LCS_GDT     N   268_C     N   268_C      3    5   18      3    3    5    5    8    9   10   12   15   15   16   16   18   19   23   30   31   36   39   42 
LCS_GDT     F   269_C     F   269_C      3    5   18      3    3    4    6    8    9   11   12   15   17   22   24   25   25   27   30   32   36   39   42 
LCS_GDT     E   270_C     E   270_C      3    5   18      3    3    4    6    8    8   11   12   15   17   22   24   25   25   28   29   32   36   39   42 
LCS_GDT     V   271_C     V   271_C      3    4   18      3    3    3    6    8    9   11   12   15   17   22   24   25   25   28   30   32   36   40   42 
LCS_GDT     P   272_C     P   272_C      4    5   18      3    4    4    6    7    7   10   12   14   17   22   24   25   25   28   29   32   35   40   42 
LCS_GDT     L   273_C     L   273_C      4    5   18      3    4    4    5    5    8    9   11   15   15   18   18   21   23   28   29   33   37   40   42 
LCS_GDT     G   274_C     G   274_C      4    5   18      3    4    4    5    6    7    8   12   16   17   22   24   24   27   29   32   34   38   40   42 
LCS_GDT     T   275_C     T   275_C      4    5   18      3    4    4    6    8    9   11   12   15   18   22   24   24   27   29   32   34   38   40   42 
LCS_GDT     T   276_C     T   276_C      4    5   20      3    3    4    5    8    9   11   15   17   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     F   277_C     F   277_C      4    5   20      3    3    4    5    8    9   11   12   15   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     D   278_C     D   278_C      3    5   20      3    3    4    5    5    9    9   10   11   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     E   279_C     E   279_C      3    5   20      1    3    4    5    6    9   11   15   17   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     L   280_C     L   280_C      3    5   20      0    3    4    5    6    9   11   15   17   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     L   281_C     L   281_C      3    4   20      3    3    3    4    6    6    8   15   17   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     E   282_C     E   282_C      3    4   20      3    3    3    4    6    9   13   15   18   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     M   283_C     M   283_C      3    4   20      3    3    4    9   12   12   13   15   18   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     A   284_C     A   284_C      3    4   20      3    3    3    5    5    7   10   15   18   19   22   23   24   27   29   32   33   38   41   45 
LCS_GDT     G   285_C     G   285_C      5    7   20      4    4    4    9   12   12   13   15   18   20   22   24   24   27   29   32   34   38   40   45 
LCS_GDT     G   286_C     G   286_C      5    7   20      4    4    5    6   12   12   13   15   18   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     L   287_C     L   287_C      5    7   20      4    4    5    6   12   12   13   15   18   20   22   24   24   27   30   34   42   47   49   50 
LCS_GDT     R   288_C     R   288_C      5    7   20      4    4    5    6    7    8   11   15   18   20   22   24   24   27   29   34   37   45   48   50 
LCS_GDT     P   289_C     P   289_C      5    7   20      3    3    5    7    8    9   12   15   18   19   22   23   26   31   35   42   44   47   49   50 
LCS_GDT     G   290_C     G   290_C      4    7   20      4    4    5    7   10   11   12   15   18   19   22   26   32   34   37   42   44   47   49   50 
LCS_GDT     R   291_C     R   291_C      4    7   20      4    4    4    7    9   10   12   15   18   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     K   292_C     K   292_C      4    7   20      4    4    5    6    7    8   11   15   18   19   23   27   32   34   37   39   44   45   49   50 
LCS_GDT     L   293_C     L   293_C      4    7   20      4    4    5    6    6    8    9    9   14   16   21   24   26   31   35   37   41   44   46   48 
LCS_GDT     K   294_C     K   294_C      4    7   20      3    4    4    4    5    8    9   10   16   19   22   23   26   28   33   36   39   42   44   47 
LCS_GDT     G   295_C     G   295_C      4    7   20      3    4    5    6    6    8    9    9   13   16   18   21   22   27   29   32   34   38   41   45 
LCS_GDT     V   296_C     V   296_C      4    7   17      3    3    5    6    8    9   10   12   14   17   22   24   25   26   28   32   34   38   40   42 
LCS_GDT     V   297_C     V   297_C      5    7   17      4    4    5    6    8    9    9   12   14   17   22   24   25   27   29   32   34   38   40   42 
LCS_GDT     P   298_C     P   298_C      5    7   15      4    4    5    6    8    9    9   12   14   17   22   24   25   26   29   32   34   38   40   42 
LCS_GDT     G   299_C     G   299_C      5    7   16      4    4    5    6    8    9    9    9   11   15   22   24   25   26   28   32   34   38   40   42 
LCS_GDT     G   300_C     G   300_C      5    7   16      4    4    5    6    7    7    7    8   11   12   14   15   17   20   25   29   29   36   39   42 
LCS_GDT     V   301_C     V   301_C      5    7   16      0    3    5    6    7    7    7    9   11   12   14   16   17   24   25   26   29   33   38   42 
LCS_GDT     S   302_C     S   302_C      4    7   16      3    4    4    5    7    7    7    8   11   12   14   16   17   19   24   26   29   34   34   37 
LCS_GDT     M   303_C     M   303_C      4    4   16      3    4    4    4    5    5    7    8   11   12   14   20   23   24   25   26   29   34   34   36 
LCS_GDT     P   304_C     P   304_C      4    4   16      3    4    4    4    4    5    9    9   12   14   16   20   23   24   25   26   29   30   33   37 
LCS_GDT     V   305_C     V   305_C      4    5   16      0    4    4    5    5    7    9    9   12   14   16   20   23   24   25   26   29   35   40   44 
LCS_GDT     L   306_C     L   306_C      4    5   16      3    4    4    5    5    7    9    9   15   15   16   20   23   24   27   31   35   40   44   46 
LCS_GDT     K   307_C     K   307_C      4    6   21      3    4    4    5    5    7   11   12   15   15   16   21   25   30   35   37   41   44   46   48 
LCS_GDT     A   308_C     A   308_C      4    6   21      3    4    8    9    9    9   11   12   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     D   309_C     D   309_C      5    6   21      4    5    5    5    7   10   11   12   13   19   23   27   32   34   37   39   44   47   49   50 
LCS_GDT     Q   310_C     Q   310_C      5    6   21      4    5    5    5    5    7    9   11   13   19   23   26   32   34   37   42   44   47   49   50 
LCS_GDT     V   311_C     V   311_C      5    6   21      4    5    5    5    5    7    9    9   12   14   19   27   32   34   37   42   44   47   49   50 
LCS_GDT     A   312_C     A   312_C      5   10   21      4    5    5    8    9   10   12   13   14   16   20   27   32   34   37   42   44   47   49   50 
LCS_GDT     G   313_C     G   313_C      5   10   21      3    5    6    8    9   10   12   13   14   16   20   25   32   34   37   42   44   47   49   50 
LCS_GDT     L   314_C     L   314_C      5   10   21      3    5    6    8    9   10   12   13   15   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     Q   315_C     Q   315_C      5   10   21      3    5    6    8    9   10   12   13   14   17   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     M   316_C     M   316_C      5   10   21      3    5    5    8    9   10   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     D   317_C     D   317_C      5   10   21      3    5    6    8    9   10   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     Y   318_C     Y   318_C      5   10   21      3    4    6    8    9   10   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     D   319_C     D   319_C      5   10   21      3    4    6    7    9   11   12   13   14   17   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     T   320_C     T   320_C      5   10   21      3    4    6    8    9   10   12   13   14   16   22   27   32   34   37   42   44   47   49   50 
LCS_GDT     L   321_C     L   321_C      3   10   21      1    4    5    8    9   10   12   13   15   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     R   322_C     R   322_C      3    5   21      3    3    5    5    7    9   12   13   15   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     A   323_C     A   323_C      4    5   21      3    4    5    5    6   10   13   15   15   18   19   25   29   34   37   42   44   47   49   50 
LCS_GDT     L   324_C     L   324_C      4    5   21      3    4    5    5    6   10   13   15   15   18   20   26   32   34   37   42   44   47   49   50 
LCS_GDT     G   325_C     G   325_C      4    5   21      3    4    4    5    6    7    8   15   15   18   19   21   23   27   28   31   36   42   44   48 
LCS_GDT     T   326_C     T   326_C      4    5   21      3    4    4    5    6    8   12   15   15   18   20   25   27   34   37   42   44   47   49   50 
LCS_GDT     G   327_C     G   327_C      3   10   21      3    3    3    4    9   11   13   15   15   20   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     L   328_C     L   328_C      4   10   19      3    4    4    5    7   11   13   15   15   18   23   25   27   33   36   42   44   47   49   50 
LCS_GDT     G   329_C     G   329_C      4   10   19      3    4    4    7    9   11   13   15   15   20   23   25   27   31   36   42   44   47   49   50 
LCS_GDT     S   330_C     S   330_C      4   10   19      3    4    6    7    9   11   13   15   15   18   19   21   25   33   36   42   44   47   49   50 
LCS_GDT     G   331_C     G   331_C      4   10   19      3    4    4    6    9   11   13   15   15   18   19   22   28   33   36   42   44   47   49   50 
LCS_GDT     A   332_C     A   332_C      5   10   19      4    5    6    7    9   11   13   15   15   18   19   24   27   33   36   42   44   47   49   50 
LCS_GDT     I   333_C     I   333_C      5   10   19      4    5    6    7    9   11   13   15   15   18   19   21   23   27   28   30   34   37   39   43 
LCS_GDT     V   334_C     V   334_C      5   10   19      4    5    6    7    9   11   13   15   15   18   19   21   23   27   28   30   33   35   39   43 
LCS_GDT     V   335_C     V   335_C      5   10   19      4    5    6    7    9   11   13   15   15   18   19   21   23   27   28   30   33   35   39   43 
LCS_GDT     L   336_C     L   336_C      5   10   19      3    5    6    7    9   11   13   15   15   15   17   20   23   27   28   30   32   36   39   43 
LCS_GDT     D   337_C     D   337_C      3    9   19      1    3    3    6    8   11   13   15   15   16   17   20   23   27   29   32   35   36   39   43 
LCS_GDT     D   338_C     D   338_C      3    6   19      3    3    3    5    6    6    7   10   13   16   19   22   25   29   29   33   35   36   39   43 
LCS_GDT     S   339_C     S   339_C      3    6   19      3    3    4    5    6    6    8   12   16   19   21   24   26   29   31   34   35   36   40   42 
LCS_GDT     V   340_C     V   340_C      4    6   18      3    3    4    5    6    8   14   15   17   20   22   25   28   30   32   34   37   38   43   46 
LCS_GDT     C   341_C     C   341_C      4    6   18      3    3    4    5    6    6    8   10   13   16   17   18   20   26   29   31   34   37   40   44 
LCS_GDT     C   342_C     C   342_C      4    6   18      0    3    4    5    6    6    9   12   13   14   17   18   20   23   28   30   32   38   40   44 
LCS_GDT     V   343_C     V   343_C      8    9   18      0    3    8    9   12   12   13   15   17   20   22   24   24   27   29   32   34   38   41   45 
LCS_GDT     R   344_C     R   344_C      8    9   19      7    7    8    9   12   12   13   15   17   20   22   24   25   27   29   32   34   38   41   45 
LCS_GDT     F   345_C     F   345_C      8    9   19      7    7    8    9   12   12   13   15   18   20   22   24   25   27   34   39   40   41   43   47 
LCS_GDT     A   346_C     A   346_C      8    9   19      7    7    8    9   12   12   13   15   18   20   23   27   32   34   37   39   40   47   49   50 
LCS_GDT     C   347_C     C   347_C      8    9   19      7    7    8    9   12   12   13   15   18   20   22   24   26   32   37   39   40   41   43   45 
LCS_GDT     R   348_C     R   348_C      8    9   19      7    7    8    9   12   12   13   15   18   20   22   24   25   27   29   32   39   40   42   47 
LCS_GDT     I   349_C     I   349_C      8    9   19      7    7    8    9   12   12   13   15   18   20   22   27   32   34   37   42   44   47   49   50 
LCS_GDT     S   350_C     S   350_C      8    9   19      7    7    8    9   12   12   13   15   18   20   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     H   372_C     H   372_C      3    9   19      3    3    3    4   10   11   12   15   18   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     R   373_C     R   373_C      9    9   19      5    6    9    9   10   11   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     V   374_C     V   374_C      9    9   19      5    7    9    9   10   11   12   13   14   19   23   27   32   34   37   42   44   47   49   50 
LCS_GDT     L   375_C     L   375_C      9    9   22      5    5    9    9    9    9    9   10   11   16   22   27   32   34   37   39   40   44   49   50 
LCS_GDT     E   376_C     E   376_C      9    9   22      6    7    9    9    9    9   10   12   14   16   22   27   32   34   37   39   40   41   43   46 
LCS_GDT     R   377_C     R   377_C      9    9   22      6    7    9    9    9    9   10   12   14   15   19   22   27   32   37   39   40   41   43   45 
LCS_GDT     I   378_C     I   378_C      9    9   22      6    7    9    9    9    9   10   12   14   15   18   21   23   25   30   35   38   40   43   45 
LCS_GDT     V   379_C     V   379_C      9    9   22      6    7    9    9    9    9    9   13   16   18   19   21   24   25   27   30   34   38   43   45 
LCS_GDT     A   380_C     A   380_C      9    9   22      6    7    9    9    9    9   10   14   16   18   19   23   24   25   27   31   34   39   43   45 
LCS_GDT     G   381_C     G   381_C      9    9   22      6    7    9    9    9    9    9   13   16   18   19   23   24   25   27   30   33   36   40   44 
LCS_GDT     K   382_C     K   382_C      3    4   22      3    3    4    6    7    7    9   14   16   18   20   23   24   26   27   30   34   37   41   45 
LCS_GDT     A   383_C     A   383_C      3   14   27      3    3   10   11   13   14   14   15   16   18   20   23   25   27   29   31   34   37   41   45 
LCS_GDT     T   384_C     T   384_C     12   14   27      4   10   12   12   13   14   14   15   15   18   22   24   25   27   28   32   34   37   41   45 
LCS_GDT     M   385_C     M   385_C     12   14   28      9   11   12   12   13   14   14   15   16   18   22   24   25   27   29   32   34   36   41   45 
LCS_GDT     E   386_C     E   386_C     12   14   28      9   11   12   12   13   14   14   15   17   19   22   24   25   27   29   32   34   36   41   45 
LCS_GDT     D   387_C     D   387_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   32   34   36   40   45 
LCS_GDT     L   388_C     L   388_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   30   33   36   37   40 
LCS_GDT     H   389_C     H   389_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   31   33   35   38 
LCS_GDT     Q   390_C     Q   390_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   31   33   34   38 
LCS_GDT     L   391_C     L   391_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     R   392_C     R   392_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     T   393_C     T   393_C     12   14   28      9   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   31   35   39   43 
LCS_GDT     V   394_C     V   394_C     12   14   28      8   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     A   395_C     A   395_C     12   14   28      5   11   12   12   13   14   14   15   17   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     G   396_C     G   396_C      4   14   28      3    4    4   11   13   14   14   15   17   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     Q   397_C     Q   397_C      4   14   28      3    3    4    6    9   12   13   15   17   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     I   398_C     I   398_C      4    6   28      3    3    5    5    7    7   10   11   14   17   21   22   25   27   29   29   32   36   41   43 
LCS_GDT     E   399_C     E   399_C      4    6   28      3    3    5    5    7    8   10   13   16   19   21   24   25   27   29   29   32   36   41   43 
LCS_GDT     G   400_C     G   400_C      4    6   28      3    3    5    5    7    7   10   12   15   17   21   22   25   27   29   29   32   33   41   43 
LCS_GDT     H   401_C     H   401_C      4    6   28      3    4    5    5    7    9   10   13   16   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     T   402_C     T   402_C      3    6   28      3    4    4    6    8    9   10   14   16   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     I   403_C     I   403_C      3    6   28      3    4    4    8    9   10   13   14   17   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     C   404_C     C   404_C      3    6   28      3    3    4    7   11   12   13   14   17   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     A   405_C     A   405_C      3    6   28      3    4    4   11   12   12   12   13   15   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     F   406_C     F   406_C      3    6   28      3    3    7   10   11   11   13   13   15   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     G   407_C     G   407_C      3    5   28      3    3    3    4    6    7   10   10   15   17   19   22   25   27   29   29   31   33   34   35 
LCS_GDT     E   408_C     E   408_C      3    5   28      3    3    3    4    5    9   13   13   16   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     A   409_C     A   409_C      5    5   28      3    4    5    8    9   10   13   14   17   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     A   410_C     A   410_C      5    5   28      3    4    5    6    8    9   12   14   17   19   21   24   25   27   29   29   30   33   34   35 
LCS_GDT     A   411_C     A   411_C      5   11   28      3    4    5    6    8    9   11   13   15   18   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     W   412_C     W   412_C     10   11   28      5    9   10   11   12   12   13   14   17   19   21   24   25   27   29   29   31   33   34   35 
LCS_GDT     P   413_C     P   413_C     10   11   28      5    9   10   11   12   12   13   13   15   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     I   414_C     I   414_C     10   11   22      5    9   10   11   12   12   13   13   15   16   16   20   23   25   26   29   31   33   34   35 
LCS_GDT     Q   415_C     Q   415_C     10   11   21      5    9   10   11   12   12   13   13   15   16   20   23   23   25   26   29   31   33   34   35 
LCS_GDT     G   416_C     G   416_C     10   11   21      5    9   10   11   12   12   13   13   15   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     F   417_C     F   417_C     10   11   21      4    8   10   11   12   12   13   13   15   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     L   418_C     L   418_C     10   11   21      4    9   10   11   12   12   13   13   15   16   20   23   23   25   26   29   31   33   34   35 
LCS_GDT     R   419_C     R   419_C     10   11   21      4    9   10   11   12   12   13   13   15   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     Q   420_C     Q   420_C     10   11   21      4    9   10   11   12   12   13   13   15   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     F   421_C     F   421_C     10   11   21      3    9   10   11   12   12   13   13   15   16   19   23   23   25   27   29   31   33   34   35 
LCS_GDT     W   422_C     W   422_C      4   11   21      3    4    4    7   12   12   13   13   15   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     D   423_C     D   423_C      3    6   21      3    3    3    5    6   10   11   13   14   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     E   424_C     E   424_C      3    6   21      1    3    3    4    5    6    8   10   13   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     F   425_C     F   425_C      3    3   20      0    3    4    4    5    5    6    7   10   14   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     E   426_C     E   426_C      3    3   19      0    3    4    4    4    4    5    9   13   16   19   23   23   25   27   29   31   33   34   35 
LCS_GDT     Y   427_C     Y   427_C      4    4   19      1    3    4    4    5    5    7    9   13   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     Y   428_C     Y   428_C      4    4   19      3    3    4    4    5    5    7    9   13   16   20   23   23   25   27   29   31   33   34   35 
LCS_GDT     I   429_C     I   429_C      4    4   19      3    3    4    4    4    4    5    6    7   11   16   21   23   25   27   29   31   33   34   35 
LCS_GDT     V   430_C     V   430_C      4    4   19      3    3    4    4    4    4    5    6    7   10   16   21   23   25   27   29   31   33   34   35 
LCS_GDT     N   431_C     N   431_C      3    4   13      3    3    4    4    4    4    5    6    7    7    7   10   12   15   22   28   30   32   33   35 
LCS_GDT     G   432_C     G   432_C      3    4    9      0    3    4    4    4    4    4    6    7    7    7    8    9   13   15   18   24   31   33   35 
LCS_AVERAGE  LCS_A:   2.77  (   1.37    1.94    4.98 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     12     13     13     13     14     15     16     17     19     21     24     27     32     34     37     42     44     47     49     50 
GDT PERCENT_AT   2.88   3.12   3.12   3.12   3.37   3.61   3.85   4.09   4.57   5.05   5.77   6.49   7.69   8.17   8.89  10.10  10.58  11.30  11.78  12.02
GDT RMS_LOCAL    0.28   0.45   0.45   0.45   1.19   1.64   1.77   1.96   2.86   3.40   3.83   4.47   4.82   5.00   5.31   7.81   7.81   6.46   8.00   7.34
GDT RMS_ALL_AT  44.73  44.49  44.49  44.49  42.63  42.00  42.60  42.33  42.03  34.95  36.52  40.01  39.86  39.82  39.93  39.00  39.01  38.94  38.94  39.34

# Checking swapping
#   possible swapping detected:  Y    22_C      Y    22_C
#   possible swapping detected:  Y    27_C      Y    27_C
#   possible swapping detected:  D    28_C      D    28_C
#   possible swapping detected:  E    51_C      E    51_C
#   possible swapping detected:  D    57_C      D    57_C
#   possible swapping detected:  E    60_C      E    60_C
#   possible swapping detected:  D    98_C      D    98_C
#   possible swapping detected:  D   107_C      D   107_C
#   possible swapping detected:  D   109_C      D   109_C
#   possible swapping detected:  Y   113_C      Y   113_C
#   possible swapping detected:  Y   127_C      Y   127_C
#   possible swapping detected:  Y   135_C      Y   135_C
#   possible swapping detected:  Y   137_C      Y   137_C
#   possible swapping detected:  F   142_C      F   142_C
#   possible swapping detected:  E   145_C      E   145_C
#   possible swapping detected:  E   148_C      E   148_C
#   possible swapping detected:  F   150_C      F   150_C
#   possible swapping detected:  F   277_C      F   277_C
#   possible swapping detected:  D   317_C      D   317_C
#   possible swapping detected:  Y   318_C      Y   318_C
#   possible swapping detected:  D   338_C      D   338_C
#   possible swapping detected:  F   345_C      F   345_C
#   possible swapping detected:  E   386_C      E   386_C
#   possible swapping detected:  D   387_C      D   387_C
#   possible swapping detected:  F   406_C      F   406_C
#   possible swapping detected:  D   423_C      D   423_C
#   possible swapping detected:  E   426_C      E   426_C
#   possible swapping detected:  Y   427_C      Y   427_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     9_C      G     9_C    33.765     0    0.626   0.626    33.765    0.000    0.000
LGA    P    10_C      P    10_C    32.066     0    0.599   0.557    35.822    0.000    0.000
LGA    V    11_C      V    11_C    29.599     0    0.074   1.242    30.907    0.000    0.000
LGA    G    12_C      G    12_C    32.611     0    0.424   0.424    32.671    0.000    0.000
LGA    P    13_C      P    13_C    33.229     0    0.582   0.659    33.849    0.000    0.000
LGA    A    14_C      A    14_C    34.301     0    0.603   0.590    35.977    0.000    0.000
LGA    P    15_C      P    15_C    37.148     0    0.621   0.689    39.273    0.000    0.000
LGA    L    16_C      L    16_C    38.701     0    0.642   0.669    40.354    0.000    0.000
LGA    P    17_C      P    17_C    38.142     0    0.410   0.490    40.189    0.000    0.000
LGA    H    18_C      H    18_C    36.385     0    0.565   1.413    36.985    0.000    0.000
LGA    Q    19_C      Q    19_C    30.453     0    0.543   0.997    32.853    0.000    0.000
LGA    V    20_C      V    20_C    30.804     0    0.130   0.195    34.198    0.000    0.000
LGA    V    21_C      V    21_C    28.328     0    0.105   0.134    30.997    0.000    0.000
LGA    Y    22_C      Y    22_C    23.504     0    0.490   1.373    25.232    0.000    0.000
LGA    T    23_C      T    23_C    23.671     0    0.231   1.049    24.712    0.000    0.000
LGA    T    24_C      T    24_C    24.896     0    0.243   1.188    28.308    0.000    0.000
LGA    L    25_C      L    25_C    23.014     0    0.220   0.242    24.033    0.000    0.000
LGA    H    26_C      H    26_C    22.541     0    0.213   1.189    28.806    0.000    0.000
LGA    Y    27_C      Y    27_C    22.362     0    0.109   1.238    25.837    0.000    0.000
LGA    D    28_C      D    28_C    18.051     0    0.046   1.363    19.897    0.000    0.000
LGA    K    47_C      K    47_C    37.238     0    0.080   0.475    40.874    0.000    0.000
LGA    I    48_C      I    48_C    38.799     0    0.215   1.389    42.798    0.000    0.000
LGA    L    49_C      L    49_C    42.959     0    0.626   1.418    46.408    0.000    0.000
LGA    E    50_C      E    50_C    46.876     0    0.649   0.611    49.815    0.000    0.000
LGA    E    51_C      E    51_C    51.854     0    0.106   0.989    54.029    0.000    0.000
LGA    K    52_C      K    52_C    51.718     0    0.392   1.068    52.297    0.000    0.000
LGA    I    53_C      I    53_C    50.274     0    0.126   0.745    51.006    0.000    0.000
LGA    A    54_C      A    54_C    52.878     0    0.000   0.000    53.840    0.000    0.000
LGA    P    55_C      P    55_C    51.000     0    0.062   0.111    54.466    0.000    0.000
LGA    A    56_C      A    56_C    50.108     0    0.051   0.048    51.923    0.000    0.000
LGA    D    57_C      D    57_C    45.847     0    0.127   1.082    49.120    0.000    0.000
LGA    V    58_C      V    58_C    42.515     0    0.056   0.140    44.263    0.000    0.000
LGA    I    59_C      I    59_C    43.416     0    0.061   0.080    49.290    0.000    0.000
LGA    E    60_C      E    60_C    41.318     0    0.088   1.304    42.487    0.000    0.000
LGA    M    61_C      M    61_C    36.536     0    0.031   0.899    38.579    0.000    0.000
LGA    V    62_C      V    62_C    35.751     0    0.000   0.999    36.960    0.000    0.000
LGA    K    63_C      K    63_C    37.357     0    0.101   0.229    49.408    0.000    0.000
LGA    G    87_C      G    87_C    40.110     0    0.000   0.000    40.110    0.000    0.000
LGA    T    88_C      T    88_C    38.899     0    0.289   1.135    39.698    0.000    0.000
LGA    M    89_C      M    89_C    40.524     0    0.626   1.565    45.394    0.000    0.000
LGA    Q    90_C      Q    90_C    35.626     0    0.114   1.198    37.746    0.000    0.000
LGA    K    91_C      K    91_C    30.333     0    0.139   0.497    31.839    0.000    0.000
LGA    Y    92_C      Y    92_C    29.115     0    0.067   1.183    36.435    0.000    0.000
LGA    I    93_C      I    93_C    23.941     0    0.540   0.457    25.500    0.000    0.000
LGA    L    94_C      L    94_C    22.200     0    0.548   1.202    24.709    0.000    0.000
LGA    C    95_C      C    95_C    21.974     0    0.651   0.836    24.598    0.000    0.000
LGA    N    96_C      N    96_C    26.976     0    0.147   0.456    32.604    0.000    0.000
LGA    S    97_C      S    97_C    25.882     0    0.508   0.489    28.970    0.000    0.000
LGA    D    98_C      D    98_C    32.734     0    0.321   1.482    37.583    0.000    0.000
LGA    E    99_C      E    99_C    32.533     0    0.114   0.722    33.160    0.000    0.000
LGA    S   100_C      S   100_C    32.718     0    0.616   0.806    34.206    0.000    0.000
LGA    E   101_C      E   101_C    32.315     0    0.084   0.917    37.270    0.000    0.000
LGA    P   102_C      P   102_C    29.032     0    0.052   0.068    32.941    0.000    0.000
LGA    G   103_C      G   103_C    25.046     0    0.667   0.667    25.902    0.000    0.000
LGA    T   104_C      T   104_C    24.436     0    0.627   0.664    28.575    0.000    0.000
LGA    C   105_C      C   105_C    18.321     0    0.202   0.720    20.191    0.000    0.000
LGA    K   106_C      K   106_C    14.169     0    0.297   1.388    22.229    0.000    0.000
LGA    D   107_C      D   107_C    13.989     0    0.591   1.376    17.540    0.000    0.000
LGA    R   108_C      R   108_C     8.683     0    0.157   0.881    10.505   11.548   15.801
LGA    D   109_C      D   109_C     5.080     0    0.000   1.292     7.666   25.476   17.798
LGA    I   110_C      I   110_C     8.301     0    0.073   0.147    15.722   11.667    5.833
LGA    L   111_C      L   111_C     7.359     0    0.023   0.177    13.964   18.095    9.107
LGA    R   112_C      R   112_C     3.281     0    0.101   1.177     4.310   48.810   46.580
LGA    Y   113_C      Y   113_C     3.651     0    0.139   1.361     7.970   51.548   26.468
LGA    N   114_C      N   114_C     2.816     0    0.145   0.804     7.699   61.071   40.357
LGA    P   115_C      P   115_C     2.269     0    0.049   0.064     3.618   65.833   63.537
LGA    H   116_C      H   116_C     2.145     0    0.097   1.192     7.273   70.952   47.000
LGA    S   117_C      S   117_C     1.643     0    0.019   0.636     4.064   77.143   69.762
LGA    V   118_C      V   118_C     1.588     0    0.011   0.071     2.005   77.143   74.150
LGA    V   119_C      V   119_C     1.310     0    0.059   0.043     1.735   85.952   82.789
LGA    E   120_C      E   120_C     0.689     0    0.000   0.094     0.939   95.238   92.593
LGA    G   121_C      G   121_C     0.539     0    0.048   0.048     0.615   95.238   95.238
LGA    M   122_C      M   122_C     0.702     0    0.047   0.802     4.903   88.214   77.500
LGA    A   123_C      A   123_C     0.966     0    0.034   0.034     1.268   88.214   88.667
LGA    I   124_C      I   124_C     0.882     0    0.080   0.105     1.277   85.952   87.083
LGA    A   125_C      A   125_C     1.192     0    0.171   0.178     2.125   77.262   79.905
LGA    C   126_C      C   126_C     1.579     0    0.369   0.377     5.289   54.405   53.254
LGA    Y   127_C      Y   127_C     8.570     0    0.566   1.527    17.239    6.071    2.063
LGA    A   128_C      A   128_C    11.638     0    0.631   0.574    12.584    0.119    0.095
LGA    T   129_C      T   129_C    10.141     0    0.455   0.944    11.324    0.000    0.680
LGA    G   130_C      G   130_C     8.887     0    0.348   0.348     9.496    2.500    2.500
LGA    S   131_C      S   131_C     8.014     0    0.546   0.797     9.176    6.190    4.841
LGA    T   132_C      T   132_C     5.397     0    0.677   1.383     6.699   19.524   24.830
LGA    V   133_C      V   133_C     9.754     0    0.616   1.045    12.888    1.310    1.429
LGA    G   134_C      G   134_C    11.526     0    0.133   0.133    11.526    0.714    0.714
LGA    Y   135_C      Y   135_C    11.698     0    0.654   1.448    12.841    0.000    0.040
LGA    N   136_C      N   136_C    11.567     0    0.608   0.769    16.060    0.357    0.179
LGA    Y   137_C      Y   137_C    12.724     0    0.547   1.001    15.059    0.000    0.000
LGA    L   138_C      L   138_C    17.046     0    0.549   1.195    19.881    0.000    0.000
LGA    R   139_C      R   139_C    18.697     0    0.659   1.429    28.373    0.000    0.000
LGA    G   140_C      G   140_C    16.825     0    0.023   0.023    17.887    0.000    0.000
LGA    E   141_C      E   141_C    17.112     0    0.214   0.785    21.335    0.000    0.000
LGA    F   142_C      F   142_C    14.128     0    0.536   1.461    16.280    0.000    0.000
LGA    H   143_C      H   143_C     9.734     0    0.000   1.145    16.956    2.976    1.190
LGA    H   144_C      H   144_C     9.840     0    0.369   1.273    14.073    5.595    2.238
LGA    E   145_C      E   145_C    10.324     0    0.086   1.244    16.413    1.548    0.688
LGA    P   146_C      P   146_C     8.795     0    0.062   0.093    11.143    8.690    5.170
LGA    F   147_C      F   147_C     1.593     0    0.048   0.079     8.803   52.976   37.359
LGA    E   148_C      E   148_C     2.633     0    0.145   1.300     6.535   40.357   45.767
LGA    N   149_C      N   149_C     9.940     0    0.142   0.292    13.827    2.619    1.310
LGA    F   150_C      F   150_C    11.278     0    0.038   1.578    14.372    0.119    0.043
LGA    E   151_C      E   151_C    11.691     0    0.106   0.922    15.260    0.000    0.000
LGA    L   152_C      L   152_C    13.515     0    0.557   1.236    15.004    0.000    0.000
LGA    A   153_C      A   153_C    16.404     0    0.174   0.181    18.143    0.000    0.000
LGA    L   154_C      L   154_C    18.058     0    0.615   1.354    21.375    0.000    0.000
LGA    A   155_C      A   155_C    21.408     0    0.603   0.593    24.375    0.000    0.000
LGA    L   180_C      L   180_C    11.943     0    0.595   0.500    13.201    0.000    0.060
LGA    G   181_C      G   181_C    10.911     0    0.507   0.507    11.127    0.000    0.000
LGA    A   182_C      A   182_C    13.217     0    0.326   0.332    14.510    0.000    0.000
LGA    G   183_C      G   183_C    15.569     0    0.551   0.551    16.277    0.000    0.000
LGA    A   184_C      A   184_C    15.997     0    0.602   0.588    17.672    0.000    0.000
LGA    Y   185_C      Y   185_C    19.182     0    0.028   1.650    22.344    0.000    0.000
LGA    I   186_C      I   186_C    26.155     0    0.060   0.287    31.791    0.000    0.000
LGA    C   187_C      C   187_C    24.993     0    0.000   0.150    25.730    0.000    0.000
LGA    G   188_C      G   188_C    24.190     0    0.131   0.131    25.276    0.000    0.000
LGA    E   189_C      E   189_C    25.390     0    0.065   1.039    28.773    0.000    0.000
LGA    E   190_C      E   190_C    23.619     0    0.528   0.684    25.684    0.000    0.000
LGA    T   191_C      T   191_C    21.914     0    0.618   1.021    24.213    0.000    0.000
LGA    A   192_C      A   192_C    15.653     0    0.496   0.463    18.208    0.000    0.000
LGA    L   193_C      L   193_C    11.320     0    0.052   0.259    13.291    0.714    0.417
LGA    M   194_C      M   194_C    13.459     0    0.018   0.160    21.279    0.000    0.000
LGA    G   261_C      G   261_C    26.911     0    0.622   0.622    30.306    0.000    0.000
LGA    C   262_C      C   262_C    31.643     0    0.115   0.753    35.257    0.000    0.000
LGA    V   263_C      V   263_C    36.601     0    0.128   1.148    37.978    0.000    0.000
LGA    Q   264_C      Q   264_C    41.025     0    0.231   0.878    44.017    0.000    0.000
LGA    K   265_C      K   265_C    41.518     0    0.570   0.835    46.517    0.000    0.000
LGA    G   266_C      G   266_C    40.864     0    0.065   0.065    42.203    0.000    0.000
LGA    G   267_C      G   267_C    42.853     0    0.655   0.655    42.853    0.000    0.000
LGA    N   268_C      N   268_C    40.837     0    0.450   0.408    41.395    0.000    0.000
LGA    F   269_C      F   269_C    40.670     0    0.601   1.402    41.204    0.000    0.000
LGA    E   270_C      E   270_C    42.324     0    0.636   0.655    44.941    0.000    0.000
LGA    V   271_C      V   271_C    45.512     0    0.594   1.476    47.528    0.000    0.000
LGA    P   272_C      P   272_C    42.652     0    0.634   0.637    45.375    0.000    0.000
LGA    L   273_C      L   273_C    39.238     0    0.667   1.129    41.707    0.000    0.000
LGA    G   274_C      G   274_C    45.153     0    0.025   0.025    48.422    0.000    0.000
LGA    T   275_C      T   275_C    46.559     0    0.577   1.002    48.752    0.000    0.000
LGA    T   276_C      T   276_C    45.367     0    0.632   0.530    49.181    0.000    0.000
LGA    F   277_C      F   277_C    41.981     0    0.304   1.705    44.629    0.000    0.000
LGA    D   278_C      D   278_C    45.386     0    0.000   1.016    48.981    0.000    0.000
LGA    E   279_C      E   279_C    42.027     0    0.612   0.655    43.328    0.000    0.000
LGA    L   280_C      L   280_C    35.954     0    0.595   0.718    37.821    0.000    0.000
LGA    L   281_C      L   281_C    37.512     0    0.580   1.375    42.551    0.000    0.000
LGA    E   282_C      E   282_C    38.275     0    0.570   1.265    44.059    0.000    0.000
LGA    M   283_C      M   283_C    32.513     0    0.648   1.423    34.175    0.000    0.000
LGA    A   284_C      A   284_C    31.425     0    0.480   0.470    31.778    0.000    0.000
LGA    G   285_C      G   285_C    31.613     0    0.081   0.081    32.008    0.000    0.000
LGA    G   286_C      G   286_C    33.163     0    0.033   0.033    33.163    0.000    0.000
LGA    L   287_C      L   287_C    33.708     0    0.163   0.187    37.756    0.000    0.000
LGA    R   288_C      R   288_C    38.338     0    0.059   0.696    39.853    0.000    0.000
LGA    P   289_C      P   289_C    43.909     0    0.380   0.346    44.312    0.000    0.000
LGA    G   290_C      G   290_C    44.827     0    0.539   0.539    46.614    0.000    0.000
LGA    R   291_C      R   291_C    43.919     0    0.045   1.034    47.131    0.000    0.000
LGA    K   292_C      K   292_C    44.021     0    0.060   1.085    49.268    0.000    0.000
LGA    L   293_C      L   293_C    42.022     0    0.037   1.405    43.411    0.000    0.000
LGA    K   294_C      K   294_C    40.204     0    0.654   1.175    41.932    0.000    0.000
LGA    G   295_C      G   295_C    39.604     0    0.664   0.664    40.045    0.000    0.000
LGA    V   296_C      V   296_C    37.020     0    0.654   1.316    38.173    0.000    0.000
LGA    V   297_C      V   297_C    34.604     0    0.000   0.068    35.325    0.000    0.000
LGA    P   298_C      P   298_C    37.439     0    0.200   0.437    39.619    0.000    0.000
LGA    G   299_C      G   299_C    34.273     0    0.177   0.177    35.352    0.000    0.000
LGA    G   300_C      G   300_C    29.920     0    0.544   0.544    31.659    0.000    0.000
LGA    V   301_C      V   301_C    29.132     0    0.649   0.496    30.903    0.000    0.000
LGA    S   302_C      S   302_C    25.955     0    0.669   0.919    27.561    0.000    0.000
LGA    M   303_C      M   303_C    28.062     0    0.044   1.302    28.085    0.000    0.000
LGA    P   304_C      P   304_C    29.308     0    0.650   0.563    31.169    0.000    0.000
LGA    V   305_C      V   305_C    30.459     0    0.647   0.881    33.516    0.000    0.000
LGA    L   306_C      L   306_C    31.486     0    0.656   0.553    33.084    0.000    0.000
LGA    K   307_C      K   307_C    33.246     0    0.051   1.140    35.309    0.000    0.000
LGA    A   308_C      A   308_C    32.611     0    0.598   0.574    33.451    0.000    0.000
LGA    D   309_C      D   309_C    31.483     0    0.423   1.305    32.319    0.000    0.000
LGA    Q   310_C      Q   310_C    26.664     0    0.030   0.370    28.377    0.000    0.000
LGA    V   311_C      V   311_C    22.286     0    0.107   1.158    24.356    0.000    0.000
LGA    A   312_C      A   312_C    25.715     0    0.089   0.103    28.245    0.000    0.000
LGA    G   313_C      G   313_C    25.386     0    0.623   0.623    25.614    0.000    0.000
LGA    L   314_C      L   314_C    24.574     0    0.054   1.170    24.740    0.000    0.000
LGA    Q   315_C      Q   315_C    25.006     0    0.046   1.171    27.102    0.000    0.000
LGA    M   316_C      M   316_C    25.808     0    0.123   1.148    27.522    0.000    0.000
LGA    D   317_C      D   317_C    28.741     0    0.268   0.922    32.332    0.000    0.000
LGA    Y   318_C      Y   318_C    31.683     0    0.283   0.340    34.382    0.000    0.000
LGA    D   319_C      D   319_C    35.182     0    0.187   0.219    41.518    0.000    0.000
LGA    T   320_C      T   320_C    31.691     0    0.578   0.610    33.561    0.000    0.000
LGA    L   321_C      L   321_C    25.679     0    0.644   0.693    27.881    0.000    0.000
LGA    R   322_C      R   322_C    23.437     0    0.590   1.275    28.362    0.000    0.000
LGA    A   323_C      A   323_C    25.615     0    0.473   0.442    25.624    0.000    0.000
LGA    L   324_C      L   324_C    25.342     0    0.693   1.360    28.843    0.000    0.000
LGA    G   325_C      G   325_C    25.076     0    0.304   0.304    25.124    0.000    0.000
LGA    T   326_C      T   326_C    25.006     0    0.534   1.174    26.658    0.000    0.000
LGA    G   327_C      G   327_C    23.116     0    0.586   0.586    23.116    0.000    0.000
LGA    L   328_C      L   328_C    20.259     0    0.060   1.030    21.390    0.000    0.000
LGA    G   329_C      G   329_C    19.954     0    0.415   0.415    21.695    0.000    0.000
LGA    S   330_C      S   330_C    20.867     0    0.127   0.146    22.143    0.000    0.000
LGA    G   331_C      G   331_C    23.518     0    0.378   0.378    24.912    0.000    0.000
LGA    A   332_C      A   332_C    24.625     0    0.091   0.123    25.535    0.000    0.000
LGA    I   333_C      I   333_C    27.654     0    0.081   0.707    31.098    0.000    0.000
LGA    V   334_C      V   334_C    25.340     0    0.102   1.073    26.990    0.000    0.000
LGA    V   335_C      V   335_C    29.448     0    0.134   1.070    33.600    0.000    0.000
LGA    L   336_C      L   336_C    27.365     0    0.655   0.732    28.729    0.000    0.000
LGA    D   337_C      D   337_C    30.129     0    0.631   1.217    32.296    0.000    0.000
LGA    D   338_C      D   338_C    29.013     0    0.711   1.018    31.980    0.000    0.000
LGA    S   339_C      S   339_C    23.091     0    0.676   0.569    25.348    0.000    0.000
LGA    V   340_C      V   340_C    17.890     0    0.084   0.083    19.611    0.000    0.000
LGA    C   341_C      C   341_C    18.727     0    0.208   0.681    20.887    0.000    0.000
LGA    C   342_C      C   342_C    20.613     0    0.638   1.026    21.154    0.000    0.000
LGA    V   343_C      V   343_C    23.567     0    0.554   1.286    28.017    0.000    0.000
LGA    R   344_C      R   344_C    22.138     0    0.037   1.383    26.698    0.000    0.000
LGA    F   345_C      F   345_C    22.710     0    0.021   1.241    24.008    0.000    0.000
LGA    A   346_C      A   346_C    26.538     0    0.066   0.053    27.845    0.000    0.000
LGA    C   347_C      C   347_C    25.984     0    0.025   0.700    26.339    0.000    0.000
LGA    R   348_C      R   348_C    23.486     0    0.068   1.543    24.820    0.000    0.000
LGA    I   349_C      I   349_C    26.119     0    0.037   0.102    28.266    0.000    0.000
LGA    S   350_C      S   350_C    29.828     0    0.047   0.056    31.167    0.000    0.000
LGA    H   372_C      H   372_C    34.874     0    0.044   0.465    37.521    0.000    0.000
LGA    R   373_C      R   373_C    40.017     0    0.638   1.427    44.980    0.000    0.000
LGA    V   374_C      V   374_C    44.640     0    0.065   0.975    47.562    0.000    0.000
LGA    L   375_C      L   375_C    44.922     0    0.237   0.217    46.912    0.000    0.000
LGA    E   376_C      E   376_C    42.044     0    0.127   1.014    42.655    0.000    0.000
LGA    R   377_C      R   377_C    43.752     0    0.049   1.949    45.299    0.000    0.000
LGA    I   378_C      I   378_C    46.918     0    0.049   0.081    50.256    0.000    0.000
LGA    V   379_C      V   379_C    44.815     0    0.000   1.220    45.383    0.000    0.000
LGA    A   380_C      A   380_C    42.087     0    0.308   0.329    43.297    0.000    0.000
LGA    G   381_C      G   381_C    44.692     0    0.257   0.257    47.677    0.000    0.000
LGA    K   382_C      K   382_C    50.188     0    0.388   0.910    52.315    0.000    0.000
LGA    A   383_C      A   383_C    51.604     0    0.622   0.583    52.826    0.000    0.000
LGA    T   384_C      T   384_C    51.949     0    0.540   1.406    53.234    0.000    0.000
LGA    M   385_C      M   385_C    56.609     0    0.094   1.134    58.911    0.000    0.000
LGA    E   386_C      E   386_C    60.360     0    0.063   0.693    67.633    0.000    0.000
LGA    D   387_C      D   387_C    56.921     0    0.000   1.082    57.746    0.000    0.000
LGA    L   388_C      L   388_C    56.862     0    0.000   0.553    59.578    0.000    0.000
LGA    H   389_C      H   389_C    62.241     0    0.028   1.131    68.234    0.000    0.000
LGA    Q   390_C      Q   390_C    62.948     0    0.000   0.167    63.607    0.000    0.000
LGA    L   391_C      L   391_C    60.243     0    0.000   1.388    62.696    0.000    0.000
LGA    R   392_C      R   392_C    63.780     0    0.000   0.863    67.032    0.000    0.000
LGA    T   393_C      T   393_C    68.308     0    0.042   0.076    70.724    0.000    0.000
LGA    V   394_C      V   394_C    66.809     0    0.063   0.105    68.448    0.000    0.000
LGA    A   395_C      A   395_C    66.874     0    0.075   0.076    68.312    0.000    0.000
LGA    G   396_C      G   396_C    68.798     0    0.637   0.637    70.170    0.000    0.000
LGA    Q   397_C      Q   397_C    69.708     0    0.248   1.040    73.115    0.000    0.000
LGA    I   398_C      I   398_C    67.473     0    0.044   0.145    69.786    0.000    0.000
LGA    E   399_C      E   399_C    72.108     0    0.638   1.169    75.144    0.000    0.000
LGA    G   400_C      G   400_C    72.040     0    0.588   0.588    72.227    0.000    0.000
LGA    H   401_C      H   401_C    72.586     0    0.585   0.475    75.546    0.000    0.000
LGA    T   402_C      T   402_C    74.396     0    0.105   0.136    76.770    0.000    0.000
LGA    I   403_C      I   403_C    73.413     0    0.621   1.629    74.294    0.000    0.000
LGA    C   404_C      C   404_C    72.704     0    0.273   0.260    74.659    0.000    0.000
LGA    A   405_C      A   405_C    71.432     0    0.616   0.613    72.151    0.000    0.000
LGA    F   406_C      F   406_C    68.538     0    0.630   1.455    71.410    0.000    0.000
LGA    G   407_C      G   407_C    67.225     0    0.461   0.461    67.480    0.000    0.000
LGA    E   408_C      E   408_C    67.708     0    0.599   0.993    70.208    0.000    0.000
LGA    A   409_C      A   409_C    67.142     0    0.054   0.055    69.006    0.000    0.000
LGA    A   410_C      A   410_C    68.007     0    0.037   0.051    69.235    0.000    0.000
LGA    A   411_C      A   411_C    68.765     0    0.158   0.158    69.815    0.000    0.000
LGA    W   412_C      W   412_C    71.055     0    0.581   1.417    75.438    0.000    0.000
LGA    P   413_C      P   413_C    71.357     0    0.042   0.069    73.638    0.000    0.000
LGA    I   414_C      I   414_C    72.642     0    0.050   0.096    75.812    0.000    0.000
LGA    Q   415_C      Q   415_C    76.096     0    0.129   1.221    80.075    0.000    0.000
LGA    G   416_C      G   416_C    77.201     0    0.025   0.025    80.076    0.000    0.000
LGA    F   417_C      F   417_C    77.876     0    0.064   1.383    80.920    0.000    0.000
LGA    L   418_C      L   418_C    80.851     0    0.165   1.372    85.159    0.000    0.000
LGA    R   419_C      R   419_C    85.738     0    0.000   1.123    88.573    0.000    0.000
LGA    Q   420_C      Q   420_C    86.295     0    0.065   1.190    88.612    0.000    0.000
LGA    F   421_C      F   421_C    86.878     0    0.295   1.284    88.473    0.000    0.000
LGA    W   422_C      W   422_C    90.429     0    0.172   1.264    92.730    0.000    0.000
LGA    D   423_C      D   423_C    91.542     0    0.636   1.183    91.952    0.000    0.000
LGA    E   424_C      E   424_C    91.510     0    0.628   0.804    92.758    0.000    0.000
LGA    F   425_C      F   425_C    92.814     0    0.580   0.525    95.028    0.000    0.000
LGA    E   426_C      E   426_C    97.400     0    0.587   1.046   102.615    0.000    0.000
LGA    Y   427_C      Y   427_C    97.371     0    0.563   1.363    98.939    0.000    0.000
LGA    Y   428_C      Y   428_C    92.253     0    0.276   1.561    93.986    0.000    0.000
LGA    I   429_C      I   429_C    95.548     0    0.579   0.642    97.167    0.000    0.000
LGA    V   430_C      V   430_C   101.359     0    0.205   1.173   105.214    0.000    0.000
LGA    N   431_C      N   431_C   100.654     0    0.573   1.216   106.514    0.000    0.000
LGA    G   432_C      G   432_C    97.509     0    0.205   0.205    99.114    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      272    1088   1088  100.00    2070   2070  100.00               416
SUMMARY(RMSD_GDC):    26.211         26.168                 26.901            3.226    2.897

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  276  416    4.0     17    1.96     5.108     4.073     0.827

LGA_LOCAL      RMSD:   1.956  Number of atoms:   17  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  42.330  Number of assigned atoms:  272 
Std_ASGN_ATOMS RMSD:  26.211  Standard rmsd on all 272 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.951640 * X  +  -0.293685 * Y  +  -0.090170 * Z  + 351.870575
  Y_new =  -0.109756 * X  +   0.599146 * Y  +  -0.793081 * Z  +  24.505121
  Z_new =   0.286941 * X  +  -0.744831 * Y  +  -0.602405 * Z  + 291.205902 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.026767 -0.291032 -2.250869   [DEG: -173.4209  -16.6749 -128.9653 ]
ZXZ: -0.113210  2.217308  2.773872   [DEG:   -6.4864  127.0424  158.9312 ]
 
# END of job
