
#######################################################
#                                                     #
#                        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  243 ( 1952),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1756),  selected  222 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      60_A - 93_A        4.99    30.84
  LCS_AVERAGE:     10.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      55_A - 68_A        1.82    20.54
  LONGEST_CONTINUOUS_SEGMENT:    14      56_A - 69_A        1.73    21.36
  LCS_AVERAGE:      4.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    11      56_A - 66_A        0.87    20.93
  LONGEST_CONTINUOUS_SEGMENT:    11      57_A - 67_A        1.00    21.08
  LCS_AVERAGE:      2.59

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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    22_A     G    22_A      9   10   16      7    8    9    9    9   10   12   15   17   19   20   21   23   23   25   27   28   31   34   38 
LCS_GDT     S    23_A     S    23_A      9   10   16      7    8    9    9    9   10   12   15   17   19   20   21   23   23   27   28   30   31   34   38 
LCS_GDT     F    24_A     F    24_A      9   10   16      7    8    9    9    9   10   12   15   17   19   20   21   23   23   27   28   30   31   36   38 
LCS_GDT     Q    25_A     Q    25_A      9   10   17      6    8    9    9    9   10   12   15   17   19   20   21   23   23   30   32   33   36   36   38 
LCS_GDT     Y    26_A     Y    26_A      9   10   19      7    8    9    9    9   10   12   15   17   19   20   23   25   29   30   32   33   36   36   38 
LCS_GDT     M    27_A     M    27_A      9   10   19      7    8    9    9    9   10   12   15   17   19   21   23   25   29   30   32   34   38   49   55 
LCS_GDT     K    28_A     K    28_A      9   10   19      7    8    9    9    9   10   12   15   17   19   20   23   25   29   30   37   41   45   49   55 
LCS_GDT     D    29_A     D    29_A      9   10   21      7    8    9    9    9   10   12   15   17   19   20   21   25   29   30   32   34   38   39   55 
LCS_GDT     L    30_A     L    30_A      9   11   21      3    7    9    9    9   11   11   13   14   16   19   21   25   29   30   32   34   44   47   55 
LCS_GDT     N    31_A     N    31_A      6   11   21      3    4    6    8   10   11   12   15   17   19   24   25   27   33   37   38   42   48   50   55 
LCS_GDT     K    32_A     K    32_A      6   11   21      4    4    6    8   10   11   12   15   17   19   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     H    33_A     H    33_A      6   11   21      4    4    6    8   10   11   12   15   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     I    34_A     I    34_A      6   11   21      4    4    6    8   10   11   12   15   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     P    35_A     P    35_A      6   11   21      4    4    6    8   10   11   11   15   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     F    36_A     F    36_A      6   11   21      3    5    6    8   10   11   12   15   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     Y    37_A     Y    37_A      4   11   21      3    5    5    8    8   11   12   15   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     H    38_A     H    38_A      4   11   21      3    5    5    8   10   11   15   16   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     I    39_A     I    39_A      4   11   21      3    5    7    8   10   12   15   16   17   20   24   25   31   33   37   40   45   48   50   55 
LCS_GDT     E    40_A     E    40_A      3   11   21      3    3    7    8   10   12   15   16   17   20   24   25   31   31   37   40   45   48   50   55 
LCS_GDT     D    41_A     D    41_A      5   10   21      4    6    6    9   10   12   15   16   17   20   23   25   31   31   33   40   45   48   50   55 
LCS_GDT     S    42_A     S    42_A      6   10   21      4    6    7    9   10   13   15   16   17   20   24   25   31   31   33   40   45   48   50   55 
LCS_GDT     K    43_A     K    43_A      6   10   21      4    6    7    9   10   13   15   16   17   20   24   25   31   31   33   36   45   48   50   55 
LCS_GDT     F    44_A     F    44_A      6   10   21      4    6    7    9   10   12   15   16   17   20   24   25   31   31   35   40   45   48   50   55 
LCS_GDT     K    45_A     K    45_A      6   10   21      3    5    7    9   10   12   15   16   17   20   24   25   31   31   33   40   45   48   50   55 
LCS_GDT     H    46_A     H    46_A      6   10   21      3    5    7    9   10   12   15   16   17   20   24   25   31   31   32   34   38   45   50   55 
LCS_GDT     Y    47_A     Y    47_A      6   10   22      4    6    7    9   10   12   15   16   17   20   24   25   31   31   35   40   45   48   50   55 
LCS_GDT     G    48_A     G    48_A      4   10   23      3    6    6    9   10   12   15   16   18   20   24   25   31   31   35   40   45   48   50   55 
LCS_GDT     K    49_A     K    49_A      4    5   23      3    4    4    5    7    9   12   15   17   19   21   25   31   31   33   40   45   48   50   55 
LCS_GDT     V    50_A     V    50_A      4    5   27      3    4    4    5    7    8    9   13   17   19   21   25   29   33   37   40   43   47   49   55 
LCS_GDT     I    51_A     I    51_A      4    5   33      3    4    4    4    6    8   14   16   17   19   23   29   35   37   40   45   48   51   55   58 
LCS_GDT     N    52_A     N    52_A      4    5   33      3    4    4    8   12   14   17   19   22   26   32   36   41   45   48   51   52   54   56   59 
LCS_GDT     E    53_A     E    53_A      4    5   33      3    4    4    5   13   17   19   25   30   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     Y    54_A     Y    54_A      4    5   33      3    4    4    5    8   15   15   20   29   37   40   42   43   45   48   51   52   54   56   59 
LCS_GDT     D    55_A     D    55_A      3   14   33      3    4    6    8   14   18   21   25   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     F    56_A     F    56_A     11   14   33      6   10   13   14   18   22   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     N    57_A     N    57_A     11   14   33      6   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     E    58_A     E    58_A     11   14   33      6   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     L    59_A     L    59_A     11   14   33      6   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     E    60_A     E    60_A     11   14   34      6   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     T    61_A     T    61_A     11   14   34      6   10   13   14   15   23   26   30   33   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     Y    62_A     Y    62_A     11   14   34      5   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     M    63_A     M    63_A     11   14   34      5   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     D    64_A     D    64_A     11   14   34      5   10   13   14   15   20   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     S    65_A     S    65_A     11   14   34      4   10   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     L    66_A     L    66_A     11   14   34      3    8   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     T    67_A     T    67_A     11   14   34      3    8   13   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     I    68_A     I    68_A     10   14   34      4    6   10   14   14   17   19   21   29   33   38   42   43   45   50   51   52   54   56   60 
LCS_GDT     P    69_A     P    69_A      4   14   34      4    4    5   10   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     Q    70_A     Q    70_A      4    7   34      4    4    6   10   18   23   26   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     D    71_A     D    71_A      4    9   34      4    4    4    5    9   14   19   23   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     Q    72_A     Q    72_A      4    9   34      4    4    8   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     N    73_A     N    73_A      4    9   34      4    4    6   10   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     V    74_A     V    74_A      4    9   34      4    4    6   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     Y    75_A     Y    75_A      5    9   34      4    6    8   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     V    76_A     V    76_A      5    9   34      4    6    8   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     A    77_A     A    77_A      5    9   34      3    6    8   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     S    78_A     S    78_A      5    9   34      3    4    6   10   18   22   26   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     V    79_A     V    79_A      5    9   34      3    4    6   10   18   22   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     T    80_A     T    80_A      6    9   34      5    6    7   12   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     E    81_A     E    81_A      6    7   34      5    6    6    7   10   16   21   23   27   30   35   38   42   46   50   51   52   54   56   59 
LCS_GDT     M    82_A     M    82_A      6    7   34      5    6    9   12   18   20   23   30   33   37   39   42   43   46   50   51   52   54   56   59 
LCS_GDT     E    83_A     E    83_A      6    7   34      5    6    6    7    7   14   16   18   22   28   34   40   43   46   50   51   52   54   56   59 
LCS_GDT     N    84_A     N    84_A      6   13   34      5    6    6    7    9   14   17   20   22   23   23   26   32   39   45   48   50   54   56   59 
LCS_GDT     T    85_A     T    85_A      9   13   34      4    7    9   12   13   14   17   18   22   23   26   30   32   36   40   42   45   48   52   57 
LCS_GDT     I    86_A     I    86_A      9   13   34      3    4    9   12   13   14   17   18   22   23   26   26   29   32   32   33   39   42   50   53 
LCS_GDT     I    87_A     I    87_A      9   13   34      3    8    9   12   13   14   17   20   22   23   26   26   32   35   38   42   44   46   51   54 
LCS_GDT     K    88_A     K    88_A      9   13   34      3    8    9   12   13   15   21   23   25   31   34   40   43   46   50   51   52   54   56   60 
LCS_GDT     N    89_A     N    89_A      9   13   34      4    8    9   12   13   14   20   23   25   27   32   34   38   43   45   48   50   54   56   60 
LCS_GDT     Q    90_A     Q    90_A      9   13   34      3    8    9   12   13   14   17   20   22   26   28   30   34   37   40   42   48   51   54   57 
LCS_GDT     L    91_A     L    91_A      9   13   34      4    8    9   12   13   14   17   20   22   23   27   30   34   37   41   43   50   54   56   60 
LCS_GDT     Q    92_A     Q    92_A      9   13   34      4    8    9   12   13   19   20   23   28   32   37   40   43   46   50   51   52   54   57   60 
LCS_GDT     E    93_A     E    93_A      9   13   34      4    8    9   12   13   18   20   23   27   31   35   40   43   46   50   51   52   54   57   60 
LCS_GDT     A    94_A     A    94_A      8   13   32      4    8    9   12   13   14   17   20   22   23   27   30   34   37   41   43   49   53   57   60 
LCS_GDT     F    95_A     F    95_A      5   13   25      3    5    6   11   13   14   17   20   22   23   24   26   28   33   39   43   48   53   57   60 
LCS_GDT     Y    96_A     Y    96_A      5   13   25      3    5    9   12   13   14   17   23   24   27   31   38   42   46   50   51   52   54   57   60 
LCS_GDT     G    97_A     G    97_A      5   13   25      3    6    7   11   15   19   22   28   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     E    98_A     E    98_A      7   13   25      3    4    7    9   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     M    99_A     M    99_A      7   12   25      3    6    8   11   13   14   16   25   27   34   40   42   43   45   48   50   52   54   57   60 
LCS_GDT     S   100_A     S   100_A      7   12   25      3    6    7   11   13   14   16   20   22   25   28   41   42   43   46   48   49   53   57   60 
LCS_GDT     I   101_A     I   101_A      7   11   25      3    6    8   11   13   14   16   18   27   34   37   41   42   44   48   50   52   54   57   60 
LCS_GDT     Q   102_A     Q   102_A      7   11   25      3    6    8   11   13   14   16   18   21   25   28   31   36   42   46   47   49   53   57   60 
LCS_GDT     I   103_A     I   103_A      7   11   25      3    6    7   11   13   14   16   18   25   31   37   41   42   44   48   49   52   54   57   60 
LCS_GDT     G   104_A     G   104_A      7   11   25      3    6    8   11   13   14   16   18   20   23   27   31   36   41   46   47   49   53   57   60 
LCS_GDT     Y   105_A     Y   105_A      4   11   25      3    4    5   11   13   14   20   28   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     C   106_A     C   106_A      4   11   25      3    3    8   11   13   14   16   28   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     N   107_A     N   107_A      4   11   24      3    4    8   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     G   108_A     G   108_A      4    6   24      3    4    4    6    9   14   18   25   33   37   40   42   43   46   50   51   52   54   57   60 
LCS_GDT     P   109_A     P   109_A      4    6   24      3    4    4    5    8    9   11   12   23   30   33   38   42   46   50   51   52   54   56   60 
LCS_GDT     N   110_A     N   110_A      4    9   15      3    4    5    5    9   10   11   12   16   22   30   36   41   45   50   51   52   54   56   59 
LCS_GDT     S   111_A     S   111_A      3    9   14      0    3    4    5    7    9   11   12   16   18   20   25   28   34   40   43   48   52   56   59 
LCS_GDT     T   112_A     T   112_A      7    9   14      3    6    7    8    8   10   11   12   16   18   20   25   26   29   32   32   35   37   45   51 
LCS_GDT     L   113_A     L   113_A      7    9   14      3    6    7    8    9   12   12   12   16   17   19   25   26   29   32   32   37   40   45   51 
LCS_GDT     N   114_A     N   114_A      7    9   14      3    5    7    8    9   10   11   12   16   17   19   25   26   29   32   32   35   37   44   47 
LCS_GDT     G   115_A     G   115_A      7    9   14      3    6    7    8    9   12   13   14   17   19   19   25   26   29   32   32   37   40   45   51 
LCS_GDT     L   116_A     L   116_A      7    9   14      3    6    7    8   10   11   11   12   15   17   18   25   28   30   37   42   44   48   52   55 
LCS_GDT     E   117_A     E   117_A      7    9   14      3    6    7    8   10   10   12   14   21   24   30   35   40   45   47   47   50   53   55   58 
LCS_GDT     Y   118_A     Y   118_A      7    9   15      3    6    7    8   13   19   21   28   31   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     H   119_A     H   119_A      5    9   15      3    5    7   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     K   120_A     K   120_A      3    6   15      0    3    6   11   15   23   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     S   121_A     S   121_A      3    6   15      3    3    5    8   15   23   27   30   34   37   40   42   43   46   50   51   52   54   56   59 
LCS_GDT     S   122_A     S   122_A      4    6   15      3    4    7   14   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     E   123_A     E   123_A      4    6   15      3    4    6   12   18   23   27   30   34   37   40   42   43   46   50   51   52   54   56   60 
LCS_GDT     I   124_A     I   124_A      4    6   15      3    4    5    7   17   20   22   26   27   33   36   40   43   46   50   51   52   54   56   60 
LCS_GDT     N   125_A     N   125_A      5    7   15      3    4    6   10   18   20   24   30   32   34   38   41   43   46   50   51   52   54   57   60 
LCS_GDT     I   126_A     I   126_A      5    7   15      3    4    8   11   13   14   16   23   25   27   30   33   36   41   43   44   50   53   57   60 
LCS_GDT     A   127_A     A   127_A      5    7   15      3    4    6    9   12   14   16   18   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     I   128_A     I   128_A      5    7   15      3    4    6    7    8   10   15   17   21   23   28   32   35   37   40   42   48   53   57   60 
LCS_GDT     T   129_A     T   129_A      5    7   17      3    4    6    7    7   11   15   17   21   23   28   32   35   39   40   44   48   53   57   60 
LCS_GDT     D   130_A     D   130_A      3    7   17      3    3    6    7    9   11   15   17   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     M   131_A     M   131_A      3    7   17      3    3    6    7    7   11   15   17   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     V   132_A     V   132_A      3    8   17      3    3    6    7    8   11   15   17   20   23   27   31   36   39   40   44   48   53   57   60 
LCS_GDT     L   133_A     L   133_A      4    8   17      3    7   11   13   14   15   17   19   21   25   29   31   36   39   40   44   48   53   57   60 
LCS_GDT     L   134_A     L   134_A      5    8   17      3    4    5    6   14   15   17   19   21   25   29   31   36   39   40   44   48   52   57   60 
LCS_GDT     L   135_A     L   135_A      5    8   17      3    4    5    7    8    9   10   12   19   22   27   31   36   39   40   44   48   53   57   60 
LCS_GDT     G   136_A     G   136_A      5    8   17      3    4    5    7    8   12   12   15   16   18   22   24   31   35   40   43   48   52   57   60 
LCS_GDT     K   137_A     K   137_A      5    8   17      0    4    5    7    8   12   13   15   19   19   23   25   31   35   40   43   48   50   57   60 
LCS_GDT     V   138_A     V   138_A      5    8   17      2    4    5    6    9   12   13   15   19   19   22   24   31   35   40   43   48   53   57   60 
LCS_GDT     Q   139_A     Q   139_A      3    8   17      0    3    4    7    8    9   10   12   14   16   22   24   31   35   38   43   48   50   54   60 
LCS_GDT     E   140_A     E   140_A      5    5   17      3    4    6    9   12   14   15   16   19   19   23   27   32   35   40   43   48   51   56   60 
LCS_GDT     V   141_A     V   141_A      5    5   17      3    4    8   11   13   14   16   17   20   21   24   27   32   35   40   43   48   53   57   60 
LCS_GDT     E   142_A     E   142_A      5    5   17      3    4    6    6    6    9   15   15   19   19   23   27   31   35   40   43   48   51   54   59 
LCS_GDT     N   143_A     N   143_A      5    8   17      3    3    8   11   13   14   16   17   20   21   24   27   32   35   40   43   48   53   57   60 
LCS_GDT     N   144_A     N   144_A      5    8   17      4    5    6    8   10   14   16   18   20   21   24   29   33   39   40   44   48   53   57   60 
LCS_GDT     V   145_A     V   145_A      5    8   17      4    5    5    8    8    9   10   13   16   17   23   27   30   34   36   39   42   48   51   54 
LCS_GDT     F   146_A     F   146_A      5    8   14      4    5    5    8    8    9   10   13   16   19   21   23   25   29   32   33   38   41   44   48 
LCS_GDT     H   147_A     H   147_A      5    8   14      4    5    5    8    8    9   10   13   16   19   21   23   25   29   30   32   38   41   44   48 
LCS_GDT     S   148_A     S   148_A      5    8   14      3    5    5    8    8   10   12   16   16   18   20   23   25   29   30   32   36   38   42   48 
LCS_GDT     N   149_A     N   149_A      3    8   14      3    4    5    8    8    9   15   16   17   19   20   21   24   29   30   32   35   36   41   44 
LCS_GDT     D   150_A     D   150_A      3    8   14      3    3    4    8   10   12   15   17   19   23   26   26   29   32   32   33   37   37   41   44 
LCS_GDT     V   151_A     V   151_A      5    8   16      3    4    5    7   10   12   14   17   18   21   26   26   29   32   32   33   37   37   41   47 
LCS_GDT     I   152_A     I   152_A      5    8   16      3    4    5    7    8    9   14   16   19   23   26   26   29   32   32   33   37   37   41   47 
LCS_GDT     A   153_A     A   153_A      5    8   16      3    4    5    7    8   10   14   17   21   23   26   26   29   32   32   33   37   37   41   47 
LCS_GDT     F   154_A     F   154_A      5    8   16      3    4    5    6    8    9   11   12   13   21   26   26   29   32   32   33   37   37   40   47 
LCS_GDT     F   155_A     F   155_A      5    8   20      3    3    5    7    8   12   14   16   21   23   26   26   31   32   35   40   45   48   50   55 
LCS_GDT     V   156_A     V   156_A      4    9   20      3    3    7    9   10   11   15   16   19   23   24   26   31   32   35   40   45   48   50   55 
LCS_GDT     P   157_A     P   157_A      5    9   20      3    4    6    8    8    8   10   13   18   19   21   24   27   30   32   37   41   46   50   55 
LCS_GDT     K   158_A     K   158_A      6    9   20      3    6    7    8   10   11   14   15   16   17   21   24   27   29   31   37   41   45   50   55 
LCS_GDT     G   159_A     G   159_A      6    9   20      3    6    7    8   11   12   14   15   17   21   23   24   31   31   35   40   45   48   50   55 
LCS_GDT     T   160_A     T   160_A      6   11   20      3    6    7    9   10   12   15   16   17   22   23   24   31   31   35   40   45   48   50   55 
LCS_GDT     A   161_A     A   161_A      6   11   20      3    6    7    8   11   12   14   16   17   18   22   24   28   29   33   36   37   45   50   55 
LCS_GDT     V   162_A     V   162_A      6   11   20      3    6    7    8   11   12   14   15   16   17   19   25   28   32   33   36   37   39   41   48 
LCS_GDT     E   163_A     E   163_A      6   11   20      3    6    7    8   11   12   14   15   16   17   18   20   22   25   28   29   32   37   41   48 
LCS_GDT     L   164_A     L   164_A      4   11   20      3    3    5    8   11   12   14   15   16   17   18   20   22   25   27   29   33   35   39   48 
LCS_GDT     Y   165_A     Y   165_A      4   11   20      3    3    6   10   11   12   14   15   16   17   18   20   24   28   29   32   37   40   43   44 
LCS_GDT     S   166_A     S   166_A      4   11   20      3    4    8   10   11   12   14   15   16   17   18   20   23   27   29   32   34   35   37   39 
LCS_GDT     T   167_A     T   167_A      4   11   20      3    4    8   10   11   12   14   15   16   17   18   20   24   28   29   32   34   35   37   43 
LCS_GDT     T   168_A     T   168_A      4   11   20      4    4    8   10   11   12   14   15   16   17   18   21   24   28   29   32   37   40   43   45 
LCS_GDT     L   169_A     L   169_A      4   11   20      4    4    6    8    9   11   14   15   16   19   21   26   28   29   32   33   37   40   43   47 
LCS_GDT     H   170_A     H   170_A      4   11   20      4    4    6   10   11   12   15   17   19   20   22   26   28   29   32   33   37   40   43   48 
LCS_GDT     F   171_A     F   171_A      4   10   20      4    4    8   10   11   12   16   17   19   20   24   26   29   32   34   36   37   40   43   48 
LCS_GDT     A   172_A     A   172_A      3    7   20      3    3    5    7   11   12   14   17   19   22   23   25   29   32   35   40   45   48   50   55 
LCS_GDT     P   173_A     P   173_A      5    7   20      3    5    5    7    8   11   16   20   22   23   23   25   29   32   34   36   37   48   48   55 
LCS_GDT     C   174_A     C   174_A      5    7   20      4    5    5    7    8   11   14   15   16   16   21   23   26   29   30   32   37   40   43   46 
LCS_GDT     K   175_A     K   175_A      5    7   20      4    5    5    7    7    9   12   14   15   17   21   25   26   30   32   34   41   45   49   55 
LCS_GDT     V   176_A     V   176_A      5    7   20      4    5    5    7    7    8   12   13   15   17   21   25   26   30   32   33   35   38   47   53 
LCS_GDT     N   177_A     N   177_A      5    7   20      4    5    5    7    7    9   12   13   14   15   19   22   26   30   32   33   35   38   41   45 
LCS_GDT     N   178_A     N   178_A      4    7   20      3    4    5    7    7    9   12   13   14   16   18   21   25   28   32   33   35   38   41   45 
LCS_GDT     E   179_A     E   179_A      4    7   20      3    4    4    7    7    9   12   13   15   17   21   25   26   30   32   33   37   40   43   53 
LCS_GDT     G   180_A     G   180_A      4   10   20      3    3    8    8    9   10   12   13   17   17   20   25   26   30   32   33   37   40   43   45 
LCS_GDT     F   181_A     F   181_A      5   10   19      3    4    8    8    9   10   11   11   15   17   20   25   26   30   32   33   35   44   49   55 
LCS_GDT     K   182_A     K   182_A      5   10   19      3    4    8    8    9   10   13   14   15   17   19   22   26   28   32   37   41   45   49   55 
LCS_GDT     T   183_A     T   183_A      5   10   19      2    4    8    8    9   10   13   14   15   17   19   22   26   28   32   37   41   45   49   55 
LCS_GDT     I   184_A     I   184_A      5   10   19      4    4    8    8    9   10   13   14   15   17   18   23   26   28   31   36   40   45   49   55 
LCS_GDT     V   185_A     V   185_A      5   10   19      4    4    8    8    9   14   16   20   22   23   23   25   31   31   35   40   45   48   50   55 
LCS_GDT     I   186_A     I   186_A      5   10   19      4    4    8    8    9   14   16   20   22   23   23   25   31   31   34   39   45   48   51   55 
LCS_GDT     L   187_A     L   187_A      5   10   19      4    4    8    8    9   11   16   18   20   25   29   31   34   36   40   42   44   50   54   57 
LCS_GDT     P   188_A     P   188_A      5   10   17      3    3    5    8   13   15   17   19   21   25   29   31   34   36   40   42   46   52   56   59 
LCS_GDT     K   189_A     K   189_A      4   10   21      3    4    5   10   12   15   17   19   21   25   29   31   34   36   40   42   47   52   55   59 
LCS_GDT     G   190_A     G   190_A      4    9   22      3    4    6    8    9   10   13   17   21   23   28   32   35   37   40   44   48   53   57   60 
LCS_GDT     T   191_A     T   191_A      4    9   24      3    4    5    7    9   10   13   16   21   25   29   31   35   37   40   42   48   53   57   60 
LCS_GDT     N   192_A     N   192_A      4    9   24      3    4    6    7   10   12   15   18   21   25   29   32   36   39   40   44   48   53   57   60 
LCS_GDT     D   193_A     D   193_A      4    9   24      3    4    6    7   10   13   16   19   21   24   29   32   35   37   40   43   48   52   56   60 
LCS_GDT     P   194_A     P   194_A      5    9   24      3    4    6    7   10   12   15   17   21   23   28   32   35   37   40   44   48   53   57   60 
LCS_GDT     L   195_A     L   195_A      5    9   24      3    4    4    7   10   12   15   17   21   23   28   32   35   37   40   44   48   53   57   60 
LCS_GDT     S   196_A     S   196_A      5    9   24      3    4    6    7   10   12   15   17   21   23   28   32   35   37   40   44   48   53   57   60 
LCS_GDT     T   197_A     T   197_A      5    9   24      3    4    6    7   10   12   15   17   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     N   198_A     N   198_A      5    9   24      3    4    6    6    9   11   16   18   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     I   199_A     I   199_A      3    9   24      3    4    6    8   10   14   16   18   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     Q   200_A     Q   200_A      3    9   24      3    4    6    7   10   12   15   17   21   23   28   32   35   38   40   43   44   48   51   54 
LCS_GDT     K   201_A     K   201_A      3    6   24      3    4    4    7    8    9   12   13   17   21   26   27   31   36   38   41   42   47   49   52 
LCS_GDT     R   202_A     R   202_A      3    6   24      1    3    6    7   10   12   15   15   19   21   26   32   35   37   40   41   42   44   47   51 
LCS_GDT     T   203_A     T   203_A      4    8   24      1    3    5    7    8   11   15   16   21   23   28   32   35   37   40   41   42   44   47   50 
LCS_GDT     K   204_A     K   204_A      6    8   24      4    4    7    7    8    9    9   11   15   21   26   27   35   37   40   41   42   43   46   50 
LCS_GDT     E   205_A     E   205_A      6    8   24      4    5    7    7    8    9   10   12   16   23   28   32   35   37   40   41   42   44   47   50 
LCS_GDT     D   206_A     D   206_A      6    8   24      4    5    7    7    8    9   14   17   21   23   28   32   35   37   40   41   42   44   47   50 
LCS_GDT     E   207_A     E   207_A      6    8   24      4    5    7    7    8    9   15   16   19   21   27   29   35   37   40   41   42   44   47   50 
LCS_GDT     L   208_A     L   208_A      6    8   24      4    5    7    7    8   12   15   16   20   23   28   32   35   37   40   41   42   44   47   50 
LCS_GDT     L   209_A     L   209_A      6    8   24      4    5    7    7    8    9   11   15   19   23   28   32   35   37   40   41   42   45   48   55 
LCS_GDT     F   210_A     F   210_A      6    8   24      3    4    7    7    8    9   10   11   13   16   19   21   24   29   30   33   40   43   47   50 
LCS_GDT     M   211_A     M   211_A      5   10   24      3    4    5    6    8   10   10   11   15   20   22   25   29   32   34   36   38   45   48   55 
LCS_GDT     K   212_A     K   212_A      5   10   24      3    4    5    7    9   10   12   15   18   21   27   31   36   39   40   43   48   51   57   60 
LCS_GDT     N   213_A     N   213_A      6   10   24      3    4    6    8   10   14   16   18   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     K   214_A     K   214_A      6   10   24      3    6    7    8    9   11   16   18   21   23   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     W   215_A     W   215_A      6   10   24      3    6    7    8    9   14   16   18   20   21   28   32   36   39   40   44   48   53   57   60 
LCS_GDT     L   216_A     L   216_A      6   10   20      3    6    7    8    9   10   12   15   18   23   28   32   36   39   40   43   48   51   56   60 
LCS_GDT     I   217_A     I   217_A      6   10   20      3    6    7    8    9   10   12   15   17   20   24   25   27   38   40   43   48   50   56   59 
LCS_GDT     A   218_A     A   218_A      6   10   20      3    6    7    8    9   11   12   15   18   21   27   32   35   37   40   41   42   45   52   58 
LCS_GDT     H   219_A     H   219_A      6   10   20      4    6    8   10   11   11   12   15   17   20   26   31   35   37   40   41   42   43   48   55 
LCS_GDT     P   220_A     P   220_A      6   10   20      4    4    8   10   11   11   12   15   18   20   26   27   35   37   40   41   42   44   47   55 
LCS_GDT     E   221_A     E   221_A      5   10   23      4    4    8   10   11   11   14   17   21   23   28   32   35   37   40   41   42   44   47   50 
LCS_GDT     R   222_A     R   222_A      8   10   23      6    8    8    8   11   12   13   17   20   23   28   32   35   37   40   41   45   48   50   55 
LCS_GDT     E   223_A     E   223_A      8   10   23      6    8    8   10   11   13   14   16   18   22   27   29   33   37   40   41   45   48   50   55 
LCS_GDT     Q   224_A     Q   224_A      8   10   23      6    8    8    8    9   13   14   17   20   22   27   29   32   34   38   41   45   48   50   55 
LCS_GDT     L   225_A     L   225_A      8   10   23      6    8    8    8   10   13   14   17   20   22   23   25   31   33   37   40   45   48   50   55 
LCS_GDT     I   226_A     I   226_A      8   10   23      6    8    8    8   10   13   15   17   20   22   23   25   31   32   37   40   45   48   50   55 
LCS_GDT     N   227_A     N   227_A      8   10   23      6    8    8    8   10   13   15   17   20   22   23   25   31   33   37   40   45   48   50   55 
LCS_GDT     K   228_A     K   228_A      8   10   23      6    8    8    9   10   13   14   17   20   22   23   25   31   33   37   40   45   48   50   55 
LCS_GDT     G   229_A     G   229_A      8   10   23      6    8    8    9   10   13   14   17   20   22   23   25   31   33   37   40   45   48   50   55 
LCS_GDT     A   230_A     A   230_A      4   10   23      3    4    5    6   10   13   14   17   20   22   26   30   31   35   44   47   48   49   52   55 
LCS_GDT     H   231_A     H   231_A      4   10   23      3    4    5    6   10   13   14   17   20   22   27   30   31   35   38   42   45   48   52   55 
LCS_GDT     P   232_A     P   232_A      4   10   23      4    4    5    6   10   13   14   17   20   22   23   25   31   32   36   40   45   48   50   55 
LCS_GDT     G   233_A     G   233_A      4    6   23      4    4    5    6    9   13   14   16   20   22   23   25   29   32   35   39   45   48   50   60 
LCS_GDT     I   234_A     I   234_A      4    6   23      4    4    5    5    8   10   12   18   21   25   29   30   34   37   40   42   48   51   56   60 
LCS_GDT     K   235_A     K   235_A      4    6   23      4    4    5    5    8   10   12   15   20   22   27   30   34   37   40   42   48   51   56   60 
LCS_GDT     G   236_A     G   236_A      6    8   23      3    5    6    8    8    9   12   17   20   22   27   30   34   37   40   42   48   51   56   60 
LCS_GDT     E   237_A     E   237_A      6    8   23      1    3    5    8    8    9   12   17   20   22   27   31   36   39   40   44   48   53   57   60 
LCS_GDT     N   238_A     N   238_A      6    8   23      3    8   13   14   14   14   16   17   20   22   27   31   36   39   40   44   48   51   56   60 
LCS_GDT     I   239_A     I   239_A      6    8   23      3    5    6    8    8   14   14   17   20   22   23   25   31   33   40   43   45   48   55   58 
LCS_GDT     K   240_A     K   240_A      6    8   23      3    5    6    8    8    9   12   17   20   22   23   25   29   32   37   40   45   48   50   55 
LCS_GDT     V   241_A     V   241_A      6    8   23      3    5    6    8    8    9   12   17   20   22   23   25   29   32   35   40   45   48   49   55 
LCS_GDT     Y   242_A     Y   242_A      6    8   23      3    5    6    8    8    8   12   17   20   22   23   24   29   32   35   40   45   48   49   55 
LCS_GDT     Q   243_A     Q   243_A      6    8   23      3    5    6    8    8    9   12   17   20   22   23   24   29   32   34   39   45   48   49   55 
LCS_AVERAGE  LCS_A:   5.73  (   2.59    4.26   10.34 )

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      7     10     13     14     18     23     27     30     34     37     40     42     43     46     50     51     52     54     57     60 
GDT PERCENT_AT   3.15   4.50   5.86   6.31   8.11  10.36  12.16  13.51  15.32  16.67  18.02  18.92  19.37  20.72  22.52  22.97  23.42  24.32  25.68  27.03
GDT RMS_LOCAL    0.31   0.71   1.02   1.16   1.80   2.10   6.55   2.57   3.04   3.22   3.50   3.65   3.74   4.40   4.76   4.83   4.81   5.04   6.95   7.12
GDT RMS_ALL_AT  27.07  21.28  20.51  20.50  29.85  29.85  29.85  29.72  29.77  29.91  29.58  29.60  29.59  30.57  30.24  30.24  30.05  30.22  22.12  22.20

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  D    41_A      D    41_A
#   possible swapping detected:  Y    54_A      Y    54_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  D    64_A      D    64_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  Y    96_A      Y    96_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   117_A      E   117_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  D   130_A      D   130_A
#   possible swapping detected:  F   146_A      F   146_A
#   possible swapping detected:  F   154_A      F   154_A
#   possible swapping detected:  E   163_A      E   163_A
#   possible swapping detected:  Y   165_A      Y   165_A
#   possible swapping detected:  F   171_A      F   171_A
#   possible swapping detected:  F   210_A      F   210_A
#   possible swapping detected:  E   221_A      E   221_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    22_A      G    22_A    52.352     0    0.606   0.606    54.071    0.000    0.000
LGA    S    23_A      S    23_A    45.896     0    0.048   0.238    48.119    0.000    0.000
LGA    F    24_A      F    24_A    46.185     0    0.072   1.588    50.211    0.000    0.000
LGA    Q    25_A      Q    25_A    49.470     0    0.067   1.468    56.491    0.000    0.000
LGA    Y    26_A      Y    26_A    45.521     0    0.085   1.269    47.277    0.000    0.000
LGA    M    27_A      M    27_A    41.265     0    0.165   0.954    42.856    0.000    0.000
LGA    K    28_A      K    28_A    44.511     0    0.092   1.365    48.877    0.000    0.000
LGA    D    29_A      D    29_A    45.429     0    0.125   1.200    50.038    0.000    0.000
LGA    L    30_A      L    30_A    39.725     0    0.615   1.372    41.397    0.000    0.000
LGA    N    31_A      N    31_A    35.716     0    0.500   0.553    37.500    0.000    0.000
LGA    K    32_A      K    32_A    39.210     0    0.250   0.945    46.657    0.000    0.000
LGA    H    33_A      H    33_A    34.025     0    0.040   0.988    35.650    0.000    0.000
LGA    I    34_A      I    34_A    30.674     0    0.302   0.902    32.929    0.000    0.000
LGA    P    35_A      P    35_A    33.861     0    0.151   0.349    34.038    0.000    0.000
LGA    F    36_A      F    36_A    33.274     0    0.193   1.076    34.698    0.000    0.000
LGA    Y    37_A      Y    37_A    31.241     0    0.232   1.404    39.851    0.000    0.000
LGA    H    38_A      H    38_A    31.159     0    0.256   0.402    32.709    0.000    0.000
LGA    I    39_A      I    39_A    29.262     0    0.669   1.210    32.533    0.000    0.000
LGA    E    40_A      E    40_A    32.834     0    0.665   0.918    34.677    0.000    0.000
LGA    D    41_A      D    41_A    38.334     0    0.622   1.007    44.255    0.000    0.000
LGA    S    42_A      S    42_A    37.878     0    0.045   0.062    39.082    0.000    0.000
LGA    K    43_A      K    43_A    35.684     0    0.092   0.967    38.779    0.000    0.000
LGA    F    44_A      F    44_A    32.851     0    0.334   0.952    34.345    0.000    0.000
LGA    K    45_A      K    45_A    36.015     2    0.652   0.747    39.109    0.000    0.000
LGA    H    46_A      H    46_A    35.199     0    0.663   0.917    40.856    0.000    0.000
LGA    Y    47_A      Y    47_A    29.576     0    0.395   1.178    31.921    0.000    0.000
LGA    G    48_A      G    48_A    29.400     0    0.620   0.620    31.072    0.000    0.000
LGA    K    49_A      K    49_A    26.181     4    0.337   0.444    26.728    0.000    0.000
LGA    V    50_A      V    50_A    21.428     0    0.190   0.244    23.205    0.000    0.000
LGA    I    51_A      I    51_A    17.844     0    0.602   0.666    20.206    0.000    0.000
LGA    N    52_A      N    52_A    13.854     0    0.257   0.933    15.994    0.000    0.000
LGA    E    53_A      E    53_A     8.184     0    0.312   0.921     9.775    4.881    7.460
LGA    Y    54_A      Y    54_A     8.131     0    0.631   1.400    18.647    4.881    1.667
LGA    D    55_A      D    55_A     7.148     0    0.631   1.222     9.345   18.095   10.655
LGA    F    56_A      F    56_A     3.566     0    0.248   0.377     7.829   53.095   31.082
LGA    N    57_A      N    57_A     1.520     0    0.083   0.962     6.886   77.262   52.857
LGA    E    58_A      E    58_A     2.419     0    0.092   0.789     7.033   69.048   47.302
LGA    L    59_A      L    59_A     1.418     0    0.053   0.159     3.898   88.333   69.345
LGA    E    60_A      E    60_A     1.509     0    0.065   0.829     2.862   75.238   69.471
LGA    T    61_A      T    61_A     3.691     0    0.067   1.165     6.595   48.452   42.245
LGA    Y    62_A      Y    62_A     2.904     0    0.085   0.259    10.067   69.286   33.254
LGA    M    63_A      M    63_A     1.106     0    0.098   0.109     4.559   79.405   64.286
LGA    D    64_A      D    64_A     3.433     0    0.063   0.164     6.169   52.024   38.036
LGA    S    65_A      S    65_A     3.080     0    0.186   0.230     3.768   57.262   53.730
LGA    L    66_A      L    66_A     1.327     0    0.260   1.502     3.164   71.429   72.321
LGA    T    67_A      T    67_A     1.857     0    0.324   0.429     4.379   58.690   60.272
LGA    I    68_A      I    68_A     5.865     0    0.322   1.116    12.843   21.786   11.310
LGA    P    69_A      P    69_A     3.246     0    0.064   0.121     5.471   39.167   40.068
LGA    Q    70_A      Q    70_A     3.771     0    0.713   0.669     5.691   36.310   37.619
LGA    D    71_A      D    71_A     5.397     3    0.045   0.051     6.692   32.024   17.679
LGA    Q    72_A      Q    72_A     1.475     3    0.596   0.988     3.883   77.381   46.402
LGA    N    73_A      N    73_A     3.249     0    0.013   1.124     9.609   63.333   37.798
LGA    V    74_A      V    74_A     1.933     0    0.490   0.954     6.701   75.119   51.769
LGA    Y    75_A      Y    75_A     0.798     0    0.034   0.224     4.527   90.476   68.333
LGA    V    76_A      V    76_A     1.875     0    0.642   0.660     4.670   60.714   67.143
LGA    A    77_A      A    77_A     2.109     0    0.659   0.632     4.728   56.548   56.667
LGA    S    78_A      S    78_A     3.701     0    0.543   0.759     6.306   50.714   41.905
LGA    V    79_A      V    79_A     3.592     0    0.078   1.189     6.967   45.000   37.551
LGA    T    80_A      T    80_A     2.519     0    0.640   1.443     6.108   42.619   36.463
LGA    E    81_A      E    81_A     7.532     0    0.060   1.020     9.560   11.548    6.508
LGA    M    82_A      M    82_A     4.472     0    0.100   0.310     6.692   25.833   44.524
LGA    E    83_A      E    83_A     7.941     0    0.073   1.083    11.739    7.262    7.937
LGA    N    84_A      N    84_A    12.267     0    0.440   0.791    15.655    0.000    0.000
LGA    T    85_A      T    85_A    13.367     0    0.546   0.545    14.705    0.000    0.000
LGA    I    86_A      I    86_A    18.595     0    0.044   1.433    25.047    0.000    0.000
LGA    I    87_A      I    87_A    16.789     0    0.263   1.249    20.171    0.000    0.000
LGA    K    88_A      K    88_A     9.711     0    0.223   0.851    12.148    1.429    8.677
LGA    N    89_A      N    89_A    12.709     0    0.214   0.812    18.748    0.000    0.000
LGA    Q    90_A      Q    90_A    16.915     0    0.123   0.840    26.352    0.000    0.000
LGA    L    91_A      L    91_A    15.233     0    0.084   1.000    17.591    0.000    0.000
LGA    Q    92_A      Q    92_A     8.921     0    0.067   1.298    11.106    2.262   13.651
LGA    E    93_A      E    93_A    11.259     0    0.054   1.037    16.857    0.000    0.000
LGA    A    94_A      A    94_A    16.730     0    0.066   0.069    19.317    0.000    0.000
LGA    F    95_A      F    95_A    16.845     0    0.079   1.489    22.334    0.000    0.000
LGA    Y    96_A      Y    96_A    10.820     0    0.538   1.132    13.625    4.048    1.349
LGA    G    97_A      G    97_A     7.001     0    0.510   0.510     8.800   14.048   14.048
LGA    E    98_A      E    98_A     2.331     0    0.607   0.955    10.057   54.048   31.587
LGA    M    99_A      M    99_A     5.722     0    0.073   1.318    13.055   33.571   18.036
LGA    S   100_A      S   100_A     7.795     0    0.117   0.139    10.765    6.190    4.127
LGA    I   101_A      I   101_A     6.582     0    0.159   1.277     7.138   12.619   18.810
LGA    Q   102_A      Q   102_A     9.082     0    0.247   1.002    13.684    2.619    1.164
LGA    I   103_A      I   103_A     6.616     0    0.044   0.622     9.179    7.262   24.643
LGA    G   104_A      G   104_A     8.895     0    0.361   0.361     8.895    9.524    9.524
LGA    Y   105_A      Y   105_A     4.343     0    0.260   1.374     7.732   21.905   47.937
LGA    C   106_A      C   106_A     4.507     0    0.215   0.893     8.849   57.500   41.667
LGA    N   107_A      N   107_A     1.647     0    0.629   0.691     4.488   54.286   49.821
LGA    G   108_A      G   108_A     6.043     0    0.055   0.055     7.208   18.571   18.571
LGA    P   109_A      P   109_A     9.889     0    0.182   0.279    12.422    1.310    1.156
LGA    N   110_A      N   110_A    10.879     0    0.597   0.963    11.755    0.000    2.976
LGA    S   111_A      S   111_A    14.135     0    0.687   0.871    15.710    0.000    0.000
LGA    T   112_A      T   112_A    18.266     0    0.609   0.530    22.558    0.000    0.000
LGA    L   113_A      L   113_A    16.811     0    0.102   0.152    21.324    0.000    0.000
LGA    N   114_A      N   114_A    20.382     0    0.377   0.958    22.724    0.000    0.000
LGA    G   115_A      G   115_A    17.760     0    0.156   0.156    18.736    0.000    0.000
LGA    L   116_A      L   116_A    13.283     0    0.066   0.854    16.915    0.000    0.000
LGA    E   117_A      E   117_A    10.563     0    0.295   1.235    11.632    1.071    0.529
LGA    Y   118_A      Y   118_A     5.668     0    0.445   1.386    11.759   34.643   12.937
LGA    H   119_A      H   119_A     1.629     0    0.618   0.763     8.199   68.929   38.429
LGA    K   120_A      K   120_A     3.269     0    0.575   0.906     7.524   47.143   30.053
LGA    S   121_A      S   121_A     3.154     0    0.664   0.847     6.159   45.357   37.460
LGA    S   122_A      S   122_A     1.823     0    0.597   0.619     4.183   61.905   56.984
LGA    E   123_A      E   123_A     2.363     0    0.120   0.800     8.080   61.548   39.312
LGA    I   124_A      I   124_A     7.077     0    0.282   0.348    13.696   15.833    7.917
LGA    N   125_A      N   125_A     5.165     0    0.697   0.967     8.066   16.786   39.881
LGA    I   126_A      I   126_A    10.223     0    0.190   0.911    12.841    1.190    0.714
LGA    A   127_A      A   127_A    14.354     0    0.081   0.078    17.247    0.000    0.000
LGA    I   128_A      I   128_A    18.901     0    0.228   0.793    23.005    0.000    0.000
LGA    T   129_A      T   129_A    21.588     0    0.079   0.098    22.323    0.000    0.000
LGA    D   130_A      D   130_A    24.525     0    0.663   1.304    29.300    0.000    0.000
LGA    M   131_A      M   131_A    21.542     0    0.680   1.199    22.399    0.000    0.000
LGA    V   132_A      V   132_A    16.844     0    0.376   0.492    19.728    0.000    0.000
LGA    L   133_A      L   133_A    13.858     0    0.642   1.008    16.789    0.000    0.060
LGA    L   134_A      L   134_A    17.882     0    0.191   1.125    22.465    0.000    0.000
LGA    L   135_A      L   135_A    20.231     0    0.061   0.140    22.879    0.000    0.000
LGA    G   136_A      G   136_A    22.973     0    0.046   0.046    24.393    0.000    0.000
LGA    K   137_A      K   137_A    27.599     0    0.185   1.418    30.442    0.000    0.000
LGA    V   138_A      V   138_A    29.436     0    0.657   1.471    31.941    0.000    0.000
LGA    Q   139_A      Q   139_A    36.790     0    0.541   1.603    39.510    0.000    0.000
LGA    E   140_A      E   140_A    41.089     0    0.606   1.195    46.227    0.000    0.000
LGA    V   141_A      V   141_A    40.280     0    0.288   1.046    41.248    0.000    0.000
LGA    E   142_A      E   142_A    44.628     4    0.562   0.593    45.882    0.000    0.000
LGA    N   143_A      N   143_A    46.347     0    0.538   0.505    52.085    0.000    0.000
LGA    N   144_A      N   144_A    42.273     0    0.488   0.628    44.000    0.000    0.000
LGA    V   145_A      V   145_A    46.609     0    0.056   0.082    49.387    0.000    0.000
LGA    F   146_A      F   146_A    49.157     0    0.065   0.142    51.970    0.000    0.000
LGA    H   147_A      H   147_A    54.050     0    0.239   1.119    56.797    0.000    0.000
LGA    S   148_A      S   148_A    56.725     0    0.637   0.924    58.088    0.000    0.000
LGA    N   149_A      N   149_A    62.077     0    0.218   1.250    68.484    0.000    0.000
LGA    D   150_A      D   150_A    58.737     0    0.677   1.331    60.218    0.000    0.000
LGA    V   151_A      V   151_A    54.067     0    0.094   0.888    55.677    0.000    0.000
LGA    I   152_A      I   152_A    51.590     0    0.310   0.368    53.932    0.000    0.000
LGA    A   153_A      A   153_A    46.005     0    0.309   0.329    48.199    0.000    0.000
LGA    F   154_A      F   154_A    44.056     0    0.145   0.155    52.138    0.000    0.000
LGA    F   155_A      F   155_A    38.979     0    0.164   1.148    41.031    0.000    0.000
LGA    V   156_A      V   156_A    32.522     0    0.198   0.221    34.545    0.000    0.000
LGA    P   157_A      P   157_A    28.845     0    0.497   0.888    30.178    0.000    0.000
LGA    K   158_A      K   158_A    28.157     1    0.126   0.653    29.373    0.000    0.000
LGA    G   159_A      G   159_A    29.905     0    0.234   0.234    30.452    0.000    0.000
LGA    T   160_A      T   160_A    31.994     0    0.213   0.235    33.507    0.000    0.000
LGA    A   161_A      A   161_A    33.814     0    0.111   0.114    35.907    0.000    0.000
LGA    V   162_A      V   162_A    37.630     0    0.267   0.434    38.408    0.000    0.000
LGA    E   163_A      E   163_A    40.974     0    0.214   0.805    45.516    0.000    0.000
LGA    L   164_A      L   164_A    42.903     0    0.153   1.389    45.128    0.000    0.000
LGA    Y   165_A      Y   165_A    46.309     0    0.108   0.399    51.395    0.000    0.000
LGA    S   166_A      S   166_A    46.056     0    0.639   0.775    48.367    0.000    0.000
LGA    T   167_A      T   167_A    49.362     0    0.169   0.974    52.874    0.000    0.000
LGA    T   168_A      T   168_A    46.937     0    0.569   0.537    49.533    0.000    0.000
LGA    L   169_A      L   169_A    43.091     0    0.061   1.399    46.322    0.000    0.000
LGA    H   170_A      H   170_A    38.408     0    0.193   0.923    39.792    0.000    0.000
LGA    F   171_A      F   171_A    33.389     0    0.533   0.954    35.005    0.000    0.000
LGA    A   172_A      A   172_A    33.206     0    0.081   0.113    37.928    0.000    0.000
LGA    P   173_A      P   173_A    38.204     0    0.422   0.488    40.673    0.000    0.000
LGA    C   174_A      C   174_A    42.183     0    0.069   0.072    43.515    0.000    0.000
LGA    K   175_A      K   175_A    44.345     0    0.123   0.780    50.868    0.000    0.000
LGA    V   176_A      V   176_A    45.411     0    0.423   1.250    47.078    0.000    0.000
LGA    N   177_A      N   177_A    48.718     0    0.657   0.630    49.851    0.000    0.000
LGA    N   178_A      N   178_A    50.710     0    0.219   0.185    51.600    0.000    0.000
LGA    E   179_A      E   179_A    51.047     4    0.180   0.172    51.720    0.000    0.000
LGA    G   180_A      G   180_A    47.296     0    0.612   0.612    49.068    0.000    0.000
LGA    F   181_A      F   181_A    40.256     0    0.079   1.425    42.607    0.000    0.000
LGA    K   182_A      K   182_A    34.396     0    0.417   1.038    40.746    0.000    0.000
LGA    T   183_A      T   183_A    29.316     0    0.600   0.932    31.278    0.000    0.000
LGA    I   184_A      I   184_A    24.513     0    0.152   0.289    26.537    0.000    0.000
LGA    V   185_A      V   185_A    22.056     0    0.073   0.123    25.857    0.000    0.000
LGA    I   186_A      I   186_A    18.261     0    0.101   0.119    22.070    0.000    0.000
LGA    L   187_A      L   187_A    19.673     0    0.148   1.150    23.532    0.000    0.000
LGA    P   188_A      P   188_A    18.841     0    0.544   0.605    22.633    0.000    0.000
LGA    K   189_A      K   189_A    18.456     2    0.617   0.532    21.326    0.000    0.000
LGA    G   190_A      G   190_A    18.340     0    0.218   0.218    20.661    0.000    0.000
LGA    T   191_A      T   191_A    20.224     0    0.074   0.093    23.470    0.000    0.000
LGA    N   192_A      N   192_A    16.547     0    0.155   1.144    19.662    0.000    0.000
LGA    D   193_A      D   193_A    14.418     0    0.314   1.375    18.386    0.000    0.000
LGA    P   194_A      P   194_A    18.374     0    0.150   0.148    19.966    0.000    0.000
LGA    L   195_A      L   195_A    24.205     0    0.172   0.229    28.231    0.000    0.000
LGA    S   196_A      S   196_A    26.278     0    0.225   0.275    28.635    0.000    0.000
LGA    T   197_A      T   197_A    33.522     0    0.630   0.644    37.782    0.000    0.000
LGA    N   198_A      N   198_A    37.379     0    0.129   0.889    41.274    0.000    0.000
LGA    I   199_A      I   199_A    38.903     0    0.615   1.504    41.223    0.000    0.000
LGA    Q   200_A      Q   200_A    45.753     4    0.539   0.522    47.415    0.000    0.000
LGA    K   201_A      K   201_A    48.334     0    0.634   1.068    52.014    0.000    0.000
LGA    R   202_A      R   202_A    49.526     0    0.567   1.095    51.287    0.000    0.000
LGA    T   203_A      T   203_A    49.047     0    0.190   1.124    49.276    0.000    0.000
LGA    K   204_A      K   204_A    46.998     0    0.174   0.947    54.317    0.000    0.000
LGA    E   205_A      E   205_A    41.174     0    0.147   0.695    43.656    0.000    0.000
LGA    D   206_A      D   206_A    40.664     0    0.129   1.191    42.630    0.000    0.000
LGA    E   207_A      E   207_A    42.181     0    0.105   1.106    50.341    0.000    0.000
LGA    L   208_A      L   208_A    36.815     0    0.115   1.394    38.900    0.000    0.000
LGA    L   209_A      L   209_A    31.843     0    0.656   0.572    34.232    0.000    0.000
LGA    F   210_A      F   210_A    29.825     0    0.249   1.242    34.768    0.000    0.000
LGA    M   211_A      M   211_A    25.268     0    0.107   0.919    29.507    0.000    0.000
LGA    K   212_A      K   212_A    20.530     0    0.087   0.851    22.012    0.000    0.000
LGA    N   213_A      N   213_A    22.302     0    0.306   0.941    24.354    0.000    0.000
LGA    K   214_A      K   214_A    21.098     0    0.096   0.770    22.229    0.000    0.000
LGA    W   215_A      W   215_A    24.956     0    0.072   0.081    27.886    0.000    0.000
LGA    L   216_A      L   216_A    25.567     0    0.064   0.098    27.458    0.000    0.000
LGA    I   217_A      I   217_A    31.114     0    0.120   0.160    35.897    0.000    0.000
LGA    A   218_A      A   218_A    31.386     0    0.106   0.123    34.174    0.000    0.000
LGA    H   219_A      H   219_A    36.063     0    0.170   1.332    43.552    0.000    0.000
LGA    P   220_A      P   220_A    35.880     0    0.042   0.073    39.800    0.000    0.000
LGA    E   221_A      E   221_A    37.940     0    0.155   1.265    45.243    0.000    0.000
LGA    R   222_A      R   222_A    31.553     0    0.558   1.226    33.829    0.000    0.000
LGA    E   223_A      E   223_A    28.724     0    0.055   1.141    32.301    0.000    0.000
LGA    Q   224_A      Q   224_A    27.994     4    0.077   0.079    29.810    0.000    0.000
LGA    L   225_A      L   225_A    24.454     0    0.043   0.151    27.190    0.000    0.000
LGA    I   226_A      I   226_A    22.154     0    0.074   1.389    24.252    0.000    0.000
LGA    N   227_A      N   227_A    21.420     0    0.073   0.129    25.070    0.000    0.000
LGA    K   228_A      K   228_A    20.476     0    0.238   0.946    28.547    0.000    0.000
LGA    G   229_A      G   229_A    16.993     0    0.639   0.639    18.473    0.000    0.000
LGA    A   230_A      A   230_A    13.093     0    0.041   0.046    16.014    0.000    0.000
LGA    H   231_A      H   231_A    14.462     0    0.106   1.268    18.150    0.000    0.000
LGA    P   232_A      P   232_A    19.312     0    0.246   0.294    21.922    0.000    0.000
LGA    G   233_A      G   233_A    22.281     0    0.133   0.133    25.584    0.000    0.000
LGA    I   234_A      I   234_A    26.063     0    0.093   0.108    28.764    0.000    0.000
LGA    K   235_A      K   235_A    29.085     0    0.037   1.458    36.480    0.000    0.000
LGA    G   236_A      G   236_A    28.448     0    0.614   0.614    28.629    0.000    0.000
LGA    E   237_A      E   237_A    30.259     4    0.688   0.634    31.140    0.000    0.000
LGA    N   238_A      N   238_A    30.547     0    0.321   0.996    32.038    0.000    0.000
LGA    I   239_A      I   239_A    35.265     0    0.061   0.089    36.860    0.000    0.000
LGA    K   240_A      K   240_A    38.626     0    0.093   0.772    40.945    0.000    0.000
LGA    V   241_A      V   241_A    42.428     0    0.127   1.107    43.491    0.000    0.000
LGA    Y   242_A      Y   242_A    46.122     0    0.238   1.255    51.809    0.000    0.000
LGA    Q   243_A      Q   243_A    50.065     0    0.062   0.661    51.509    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1756   1756  100.00               222
SUMMARY(RMSD_GDC):    19.711         19.672                 19.959            9.995    8.269

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     30    2.57    11.824    10.390     1.124

LGA_LOCAL      RMSD:   2.569  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.719  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  19.711  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.233801 * X  +  -0.507335 * Y  +  -0.829427 * Z  +   7.684914
  Y_new =  -0.858652 * X  +   0.507941 * Y  +  -0.068652 * Z  +  31.663008
  Z_new =   0.456129 * X  +   0.696138 * Y  +  -0.554381 * Z  +  56.274479 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.836640 -0.473641  2.243318   [DEG: -105.2317  -27.1376  128.5326 ]
ZXZ: -1.488214  2.158415  0.580042   [DEG:  -85.2684  123.6681   33.2339 ]
 
# END of job
