
#######################################################
#                                                     #
#                        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  132 ( 1139),  selected  122 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  122 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       4_C - 69_C        4.92    27.27
  LCS_AVERAGE:     32.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43       4_C - 52_C        1.94    25.10
  LCS_AVERAGE:     16.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      34_C - 51_C        0.77    25.00
  LCS_AVERAGE:      7.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  122
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     Q     4_B     Q     4_C      6   43   58      5   26   32   35   38   40   40   41   42   44   45   50   51   53   54   55   56   57   58   59 
LCS_GDT     E     5_B     E     5_C      6   43   58      5    6   14   19   35   40   40   41   42   44   45   50   51   53   54   55   56   57   58   59 
LCS_GDT     E     6_B     E     6_C      6   43   58      5    6   28   30   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     I     7_B     I     7_C     16   43   58      5   10   28   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     Q     8_B     Q     8_C     16   43   58      5    7   25   34   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     K     9_B     K     9_C     16   43   58      5   18   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     K    10_B     K    10_C     16   43   58      9   24   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     V    11_B     V    11_C     16   43   58      6   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     R    12_B     R    12_C     16   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    13_B     E    13_C     16   43   58     13   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    14_B     L    14_C     16   43   58      9   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    15_B     L    15_C     16   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    16_B     E    16_C     16   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     K    17_B     K    17_C     16   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    18_B     L    18_C     16   43   58      9   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     I    19_B     I    19_C     16   43   58      4   19   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    20_B     E    20_C     16   43   58      9   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     Y    21_B     Y    21_C     16   43   58     13   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    22_B     L    22_C     16   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    23_B     E    23_C     16   43   58      5    8   26   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    24_B     E    24_C      5   43   58      5   12   24   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    25_B     L    25_C      5   43   58      3   12   30   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     K    26_B     K    26_C      3   43   58      3    3    3    4    7   17   28   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    27_B     E    27_C      3   43   58      3    3    4   10   17   33   39   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     K    34_B     K    34_C     18   43   58     16   25   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    35_B     E    35_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     K    36_B     K    36_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    37_B     L    37_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    38_B     E    38_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    39_B     E    39_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     V    40_B     V    40_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     I    41_B     I    41_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    42_B     E    42_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     G    43_B     G    43_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    44_B     L    44_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    45_B     E    45_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     R    46_B     R    46_C     18   43   58     16   26   32   35   38   40   40   41   42   44   45   48   51   53   54   55   56   57   58   59 
LCS_GDT     L    47_B     L    47_C     18   43   58      8   25   32   35   38   40   40   41   42   44   45   48   51   53   54   55   56   57   58   59 
LCS_GDT     K    48_B     K    48_C     18   43   58     16   26   32   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    49_B     E    49_C     18   43   58      8   26   32   35   38   40   40   41   42   44   45   48   51   53   54   55   56   57   58   59 
LCS_GDT     E    50_B     E    50_C     18   43   58     16   26   32   35   38   40   40   41   42   44   45   45   50   53   54   55   56   57   58   59 
LCS_GDT     V    51_B     V    51_C     18   43   58      3    4    6   35   38   40   40   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     D    52_B     D    52_C      5   43   58      3    4   16   26   33   37   39   41   42   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     Q    55_B     Q    55_C      3    4   58      3    3    5    9   14   20   26   32   37   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    56_B     L    56_C      3    4   58      3    3    5    9   14   21   26   30   37   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     N    57_B     N    57_C      3    4   58      3    3    5    9   14   21   27   32   38   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     M    58_B     M    58_C      3    7   58      3    3    3    5    8   10   11   12   24   32   38   42   46   48   50   55   56   57   58   59 
LCS_GDT     N    59_B     N    59_C      5    9   58      4    4    6    8   12   21   28   30   35   40   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    60_B     L    60_C      5    9   58      4    6    8   11   17   23   28   34   40   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     I    61_B     I    61_C      5    9   58      4    4    7   11   17   23   28   32   39   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     V    62_B     V    62_C      5    9   58      4    4    5   10   14   23   28   30   38   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     F    63_B     F    63_C      5    9   58      3    4    7   10   17   23   28   32   40   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    64_B     E    64_C      5    9   58      3    4    5   11   15   23   28   30   30   33   39   44   46   52   54   55   56   56   57   59 
LCS_GDT     G    65_B     G    65_C      5    9   58      3    4    5   10   17   23   28   30   30   39   45   50   51   53   54   55   56   57   58   59 
LCS_GDT     L    66_B     L    66_C      4    9   58      3    4    6    7   17   21   28   36   40   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     E    67_B     E    67_C      4    9   58      3    4    5   14   21   27   34   38   40   44   46   50   51   53   54   55   56   57   58   59 
LCS_GDT     V    68_B     V    68_C      4    8   58      3    5    9   14   18   24   26   33   37   43   44   46   50   52   54   55   55   57   58   59 
LCS_GDT     D    69_B     D    69_C      4    6   58      3    3    4    5    5   13   13   20   27   29   30   35   40   44   47   51   54   56   56   57 
LCS_GDT     E    70_B     E    70_C      4    7   16      3    4    4    6    6    7    7    8   11   14   17   18   19   21   23   24   25   26   28   30 
LCS_GDT     E    71_B     E    71_C      4    7   16      3    4    4    6    6    7    9    9   11   14   17   18   19   21   23   24   25   26   28   30 
LCS_GDT     G    72_B     G    72_C      4    7   16      3    4    4    6    6    7    9    9   10   14   17   18   19   21   23   24   25   26   28   30 
LCS_GDT     R    73_B     R    73_C      4    7   17      3    4    4    5    5    6    9    9   11   12   17   18   19   21   23   28   28   29   31   32 
LCS_GDT     V    74_B     V    74_C      3    7   17      3    3    4    6    6    7    9   10   11   14   17   18   19   21   23   28   28   29   31   32 
LCS_GDT     W    75_B     W    75_C      5    7   17      3    4    5    6    6    8    9   10   11   15   17   18   19   21   24   28   28   29   31   32 
LCS_GDT     F    76_B     F    76_C      5    7   17      3    4    5    6    6    8    9   11   12   15   17   18   19   21   33   35   36   39   46   51 
LCS_GDT     I    77_B     I    77_C      5    7   17      3    4    5    5    6    8    9   10   12   20   20   24   28   30   31   37   43   48   51   55 
LCS_GDT     V    78_B     V    78_C      5    7   22      3    4    5    5    6    8   10   17   23   28   30   34   41   45   48   53   55   56   58   59 
LCS_GDT     K    79_B     K    79_C      5    7   22      3    4    5    5    6    8    9   10   11   14   17   27   31   43   46   53   55   57   58   59 
LCS_GDT     E    80_B     E    80_C      3    7   23      3    3    3    4    6    9   10   12   13   14   17   19   20   21   23   24   26   45   51   53 
LCS_GDT     M    81_B     M    81_C      3    7   23      3    3    4    5    6    8   10   12   13   16   18   19   20   22   23   24   25   27   29   34 
LCS_GDT     L    82_B     L    82_C      3    4   23      3    4    5    5    6    8   10   13   13   16   18   19   20   22   23   24   25   26   44   46 
LCS_GDT     H    83_B     H    83_C      3    3   23      3    4    5    5    6    7   10   13   13   16   18   19   20   22   23   24   25   26   28   31 
LCS_GDT     A    84_B     A    84_C      3    4   23      3    4    4    5    6    7   10   13   13   16   18   19   20   22   23   24   25   26   28   31 
LCS_GDT     T    85_B     T    85_C      3    4   23      3    3    4    4    4    6    6    9   12   15   18   19   20   22   23   24   25   26   28   31 
LCS_GDT     T    86_B     T    86_C      4    4   23      3    4    4    4    4    6    8   13   13   16   18   19   20   22   23   24   24   26   28   31 
LCS_GDT     E    87_B     E    87_C      4    4   23      3    4    4    4    5    7    9   13   13   16   18   19   20   22   23   24   24   26   28   31 
LCS_GDT     E    88_B     E    88_C      5    8   23      3    4    5    7    7    9   10   13   13   16   18   19   20   22   23   24   25   26   28   31 
LCS_GDT     E    89_B     E    89_C      5    8   23      0    4    5    7    7    9   10   11   13   16   18   19   20   22   23   24   25   26   28   30 
LCS_GDT     A    90_B     A    90_C      5    8   23      3    4    5    7    7    9    9   10   11   14   17   19   20   22   23   24   25   26   28   30 
LCS_GDT     L    91_B     L    91_C      5    8   23      4    4    5    7    7    9   10   13   13   16   18   19   20   22   23   24   25   26   28   31 
LCS_GDT     E    92_B     E    92_C      5    8   23      4    4    5    7    7    9    9   10   13   16   18   19   20   22   23   24   25   26   28   30 
LCS_GDT     N    93_B     N    93_C      4    8   23      4    4    4    7    7    9    9   10   12   15   18   19   20   22   23   23   25   26   28   31 
LCS_GDT     M    94_B     M    94_C      4    8   23      4    4    5    7    7    9   10   13   13   16   18   19   20   22   23   23   25   26   28   31 
LCS_GDT     D    95_B     D    95_C      4    8   23      4    4    4    4    6    9   10   13   13   16   18   19   20   22   23   23   26   30   44   47 
LCS_GDT     K    96_B     K    96_C      4    5   23      4    4    5    5    6    7   10   13   13   16   18   19   20   22   23   23   26   36   44   48 
LCS_GDT     F    97_B     F    97_C      4    5   23      4    4    4    4    6    7   10   13   13   16   18   19   20   40   42   44   44   47   48   50 
LCS_GDT     L    98_B     L    98_C      4    5   23      4    4    4    4    6    9   10   13   13   16   18   19   22   40   41   44   44   47   48   50 
LCS_GDT     E    99_B     E    99_C      3    5   23      3    3    3    3    6    7   10   13   18   20   26   35   36   40   42   44   44   47   48   49 
LCS_GDT     S   100_B     S   100_C      3    3   23      3    3    3    3    3    4    5    7   11   15   17   22   35   37   39   44   44   46   46   47 
LCS_GDT     W   101_B     W   101_C      3    3   23      3    3    3    3    3    4    5    7    9   11   16   19   20   28   31   33   36   37   42   46 
LCS_GDT     E   102_B     E   102_C      3    3   23      3    3    3    3    3    4    5    6    7   11   16   18   20   22   23   26   32   32   32   33 
LCS_GDT     K   103_B     K   103_C      3    3   30      3    3    3    3    3    4    5    5    6   10   15   18   25   30   30   30   32   32   32   33 
LCS_GDT     V   104_B     V   104_C      3    3   30      3    3    3    3    3    4    4    6    8   10   12   18   25   30   30   30   32   32   32   33 
LCS_GDT     F   105_B     F   105_C      3    4   30      1    3    3    3    4    5    6    8   10   14   17   24   28   30   30   30   32   32   32   33 
LCS_GDT     K   106_B     K   106_C      3    4   30      0    3    3    3    4    4    8    9   17   21   24   26   28   30   30   30   32   32   32   33 
LCS_GDT     E   107_B     E   107_C      3    7   30      2    3    3    6    6    8   11   17   21   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     L   108_B     L   108_C      3    7   30      3    3    4    4    6    8   12   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     L   109_B     L   109_C      5    8   30      5    5    6    7    8    8   10   17   21   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     E   110_B     E   110_C      5    8   30      5    5    6    7    8    8   12   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     Y   111_B     Y   111_C      5    8   30      5    5    5    7    8    8   12   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     H   112_B     H   112_C      5    8   30      5    5    5    7    8    8   12   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     F   113_B     F   113_C      5    8   30      5    5    6    7    8    8   12   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     E   114_B     E   114_C      5    8   30      4    4    6    7    8    9   13   16   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     H   115_B     H   115_C      5    8   30      4    4    6    7    8   12   14   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     N   116_B     N   116_C      5    8   30      3    4    6    6    8    8   10   16   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     S   119_B     S   119_C      3   17   30      3    3    3    4    8   10   14   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     P   120_B     P   120_C     16   17   30      8   13   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     T   121_B     T   121_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     F   122_B     F   122_C     16   17   30     10   14   15   16   16   16   16   17   21   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     D   123_B     D   123_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     F   124_B     F   124_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     F   125_B     F   125_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     L   126_B     L   126_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     D   127_B     D   127_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     F   128_B     F   128_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     L   129_B     L   129_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     W   130_B     W   130_C     16   17   30     10   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     W   131_B     W   131_C     16   17   30      9   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     Q   132_B     Q   132_C     16   17   30      8   14   15   16   16   16   16   17   20   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     L   133_B     L   133_C     16   17   30      7   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     Y   134_B     Y   134_C     16   17   30      8   14   15   16   16   16   16   17   22   24   26   26   28   30   30   30   32   32   32   33 
LCS_GDT     G   135_B     G   135_C     16   17   30      4    6   15   16   16   16   16   17   17   17   18   20   24   27   27   27   32   32   32   33 
LCS_AVERAGE  LCS_A:  18.70  (   7.40   16.42   32.27 )

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     16     26     32     35     38     40     40     41     42     44     46     50     51     53     54     55     56     57     58     59 
GDT PERCENT_AT  12.60  20.47  25.20  27.56  29.92  31.50  31.50  32.28  33.07  34.65  36.22  39.37  40.16  41.73  42.52  43.31  44.09  44.88  45.67  46.46
GDT RMS_LOCAL    0.30   0.61   0.78   1.05   1.28   1.44   1.44   1.60   1.78   2.38   3.57   3.85   3.94   4.09   4.17   4.31   4.45   4.64   4.80   4.94
GDT RMS_ALL_AT  25.26  25.11  25.04  25.06  25.06  25.13  25.13  25.12  25.12  25.53  27.28  27.65  27.15  27.52  27.48  27.71  27.79  27.25  27.16  27.34

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    35_B      E    35_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  E    49_B      E    49_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  D    69_B      D    69_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  E    88_B      E    88_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   122_B      F   122_C
#   possible swapping detected:  D   123_B      D   123_C
#   possible swapping detected:  D   127_B      D   127_C
#   possible swapping detected:  F   128_B      F   128_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     4_B      Q     4_C     1.325     0    0.117   1.023     2.817   75.119   68.571
LGA    E     5_B      E     5_C     3.480     0    0.011   1.026    10.055   57.262   31.164
LGA    E     6_B      E     6_C     2.896     0    0.073   0.161     6.619   65.000   42.275
LGA    I     7_B      I     7_C     1.947     0    0.062   1.296     5.813   68.929   53.929
LGA    Q     8_B      Q     8_C     2.427     0    0.020   1.255     4.297   65.238   57.725
LGA    K     9_B      K     9_C     1.397     0    0.059   1.174     6.645   79.286   63.757
LGA    K    10_B      K    10_C     1.436     0    0.071   1.315     6.932   79.286   56.667
LGA    V    11_B      V    11_C     1.017     0    0.111   0.142     1.979   90.595   84.218
LGA    R    12_B      R    12_C     0.623     0    0.058   1.208     4.643   90.476   76.623
LGA    E    13_B      E    13_C     1.173     0    0.089   0.706     3.179   88.214   72.751
LGA    L    14_B      L    14_C     0.988     0    0.086   0.091     1.716   88.214   82.679
LGA    L    15_B      L    15_C     0.487     0    0.082   0.096     1.506   97.619   89.583
LGA    E    16_B      E    16_C     0.882     0    0.085   0.844     2.506   88.214   80.847
LGA    K    17_B      K    17_C     0.978     0    0.032   0.135     3.813   90.476   74.074
LGA    L    18_B      L    18_C     0.742     0    0.079   0.255     1.704   90.476   86.012
LGA    I    19_B      I    19_C     1.207     0    0.041   0.676     2.237   83.690   76.250
LGA    E    20_B      E    20_C     1.192     0    0.029   0.188     2.412   85.952   76.931
LGA    Y    21_B      Y    21_C     0.730     0    0.015   0.857     4.863   90.476   70.516
LGA    L    22_B      L    22_C     0.503     0    0.009   1.027     4.223   90.476   79.345
LGA    E    23_B      E    23_C     2.098     0    0.132   0.303     4.460   67.024   54.762
LGA    E    24_B      E    24_C     3.121     0    0.253   0.362     5.982   50.476   42.169
LGA    L    25_B      L    25_C     1.895     0    0.657   0.944     5.917   72.976   59.821
LGA    K    26_B      K    26_C     5.905     0    0.153   1.057    16.568   21.905   10.106
LGA    E    27_B      E    27_C     5.618     0    0.494   0.545     7.998   20.595   18.201
LGA    K    34_B      K    34_C     1.584     0    0.258   0.839     3.269   79.286   71.429
LGA    E    35_B      E    35_C     0.708     0    0.053   1.212     4.494   88.214   71.323
LGA    K    36_B      K    36_C     0.906     0    0.026   1.325     7.068   90.476   67.884
LGA    L    37_B      L    37_C     1.206     0    0.047   1.370     5.131   83.690   67.798
LGA    E    38_B      E    38_C     0.846     0    0.026   0.073     1.446   92.857   87.513
LGA    E    39_B      E    39_C     0.458     0    0.049   0.847     4.319   97.619   77.989
LGA    V    40_B      V    40_C     0.414     0    0.028   0.974     2.532   97.619   87.483
LGA    I    41_B      I    41_C     0.343     0    0.000   1.041     3.231  100.000   83.810
LGA    E    42_B      E    42_C     0.394     0    0.032   0.698     2.524  100.000   84.392
LGA    G    43_B      G    43_C     0.364     0    0.032   0.032     0.560   97.619   97.619
LGA    L    44_B      L    44_C     0.393     0    0.079   1.201     3.970   97.619   79.286
LGA    E    45_B      E    45_C     0.622     0    0.054   0.876     3.570   90.476   76.561
LGA    R    46_B      R    46_C     1.073     0    0.030   1.433     6.056   81.548   66.364
LGA    L    47_B      L    47_C     1.488     0    0.064   0.982     4.037   79.286   69.583
LGA    K    48_B      K    48_C     0.985     0    0.066   0.713     2.641   83.690   80.899
LGA    E    49_B      E    49_C     1.344     0    0.144   0.641     1.871   77.143   77.619
LGA    E    50_B      E    50_C     1.358     0    0.195   0.764     4.980   83.690   59.630
LGA    V    51_B      V    51_C     2.223     0    0.369   1.243     3.905   61.667   58.707
LGA    D    52_B      D    52_C     4.604     0    0.623   0.769     8.236   37.500   24.167
LGA    Q    55_B      Q    55_C    12.852     0    0.651   1.163    16.459    0.000    0.000
LGA    L    56_B      L    56_C    13.819     0    0.108   1.439    16.660    0.000    0.000
LGA    N    57_B      N    57_C    14.949     0    0.610   0.765    18.836    0.000    0.000
LGA    M    58_B      M    58_C    18.889     0    0.110   0.613    22.728    0.000    0.000
LGA    N    59_B      N    59_C    16.294     0    0.122   0.390    17.722    0.000    0.000
LGA    L    60_B      L    60_C    13.670     0    0.092   1.375    17.347    0.000    0.179
LGA    I    61_B      I    61_C    16.040     0    0.113   1.164    18.084    0.000    0.000
LGA    V    62_B      V    62_C    17.480     0    0.122   1.186    21.401    0.000    0.000
LGA    F    63_B      F    63_C    15.469     0    0.046   1.431    18.963    0.000    0.173
LGA    E    64_B      E    64_C    20.794     0    0.069   1.453    26.899    0.000    0.000
LGA    G    65_B      G    65_C    17.418     0    0.214   0.214    18.224    0.000    0.000
LGA    L    66_B      L    66_C    14.172     0    0.031   1.006    16.068    0.000    0.000
LGA    E    67_B      E    67_C    11.478     0    0.134   0.837    16.042    0.000    0.000
LGA    V    68_B      V    68_C    10.388     0    0.658   0.687    13.283    0.000    0.068
LGA    D    69_B      D    69_C    13.763     0    0.687   1.146    18.265    0.000    0.000
LGA    E    70_B      E    70_C    44.051     0    0.014   0.756    44.247    0.000    0.000
LGA    E    71_B      E    71_C    42.132     0    0.114   0.968    45.019    0.000    0.000
LGA    G    72_B      G    72_C    36.555     0    0.500   0.500    38.761    0.000    0.000
LGA    R    73_B      R    73_C    30.719     0    0.033   1.153    32.827    0.000    0.000
LGA    V    74_B      V    74_C    28.574     0    0.063   0.090    29.303    0.000    0.000
LGA    W    75_B      W    75_C    26.175     0    0.663   0.562    34.087    0.000    0.000
LGA    F    76_B      F    76_C    19.444     0    0.204   0.281    21.643    0.000    0.000
LGA    I    77_B      I    77_C    18.758     0    0.114   0.135    24.216    0.000    0.000
LGA    V    78_B      V    78_C    13.173     0    0.068   1.025    15.470    0.000    0.000
LGA    K    79_B      K    79_C    13.245     0    0.529   0.839    16.325    0.000    0.000
LGA    E    80_B      E    80_C    17.150     0    0.617   1.115    22.976    0.000    0.000
LGA    M    81_B      M    81_C    17.478     0    0.593   1.075    20.802    0.000    0.000
LGA    L    82_B      L    82_C    18.145     0    0.559   0.559    20.534    0.000    0.000
LGA    H    83_B      H    83_C    22.328     0    0.593   0.415    27.509    0.000    0.000
LGA    A    84_B      A    84_C    26.237     0    0.618   0.579    29.361    0.000    0.000
LGA    T    85_B      T    85_C    31.102     0    0.026   1.182    33.758    0.000    0.000
LGA    T    86_B      T    86_C    33.330     0    0.663   1.308    33.673    0.000    0.000
LGA    E    87_B      E    87_C    33.557     0    0.225   0.838    34.123    0.000    0.000
LGA    E    88_B      E    88_C    35.162     0    0.459   1.343    39.704    0.000    0.000
LGA    E    89_B      E    89_C    35.828     0    0.652   0.587    40.824    0.000    0.000
LGA    A    90_B      A    90_C    35.140     0    0.366   0.389    37.143    0.000    0.000
LGA    L    91_B      L    91_C    30.840     0    0.312   1.186    33.752    0.000    0.000
LGA    E    92_B      E    92_C    28.522     0    0.162   0.834    35.755    0.000    0.000
LGA    N    93_B      N    93_C    25.398     0    0.121   1.065    30.511    0.000    0.000
LGA    M    94_B      M    94_C    22.039     0    0.599   1.140    24.730    0.000    0.000
LGA    D    95_B      D    95_C    17.758     0    0.579   0.910    19.879    0.000    0.000
LGA    K    96_B      K    96_C    15.929     0    0.128   0.934    21.378    0.000    0.000
LGA    F    97_B      F    97_C    12.683     0    0.225   1.532    13.607    0.000    0.303
LGA    L    98_B      L    98_C    13.407     0    0.067   1.404    18.641    0.000    0.000
LGA    E    99_B      E    99_C    12.642     0    0.592   0.565    13.074    0.000    0.000
LGA    S   100_B      S   100_C    15.715     0    0.633   0.773    20.119    0.000    0.000
LGA    W   101_B      W   101_C    18.281     0    0.585   1.268    23.063    0.000    0.000
LGA    E   102_B      E   102_C    19.085     0    0.608   1.103    22.708    0.000    0.000
LGA    K   103_B      K   103_C    17.163     0    0.582   0.902    19.243    0.000    0.000
LGA    V   104_B      V   104_C    23.692     0    0.588   1.404    26.797    0.000    0.000
LGA    F   105_B      F   105_C    27.910     0    0.579   1.401    32.390    0.000    0.000
LGA    K   106_B      K   106_C    29.052     0    0.581   1.241    29.563    0.000    0.000
LGA    E   107_B      E   107_C    30.695     0    0.620   1.222    33.978    0.000    0.000
LGA    L   108_B      L   108_C    35.140     0    0.569   1.476    38.389    0.000    0.000
LGA    L   109_B      L   109_C    40.113     0    0.210   0.263    44.078    0.000    0.000
LGA    E   110_B      E   110_C    36.905     0    0.052   1.277    39.638    0.000    0.000
LGA    Y   111_B      Y   111_C    40.365     0    0.012   0.024    47.371    0.000    0.000
LGA    H   112_B      H   112_C    46.757     0    0.117   1.081    50.060    0.000    0.000
LGA    F   113_B      F   113_C    45.768     0    0.062   0.992    47.685    0.000    0.000
LGA    E   114_B      E   114_C    46.280     0    0.114   1.068    49.860    0.000    0.000
LGA    H   115_B      H   115_C    50.776     0    0.194   1.522    54.265    0.000    0.000
LGA    N   116_B      N   116_C    53.273     0    0.321   0.307    55.311    0.000    0.000
LGA    S   119_B      S   119_C    56.060     0    0.635   0.910    57.460    0.000    0.000
LGA    P   120_B      P   120_C    54.600     0    0.340   0.567    56.806    0.000    0.000
LGA    T   121_B      T   121_C    47.612     0    0.067   0.069    50.374    0.000    0.000
LGA    F   122_B      F   122_C    47.112     0    0.054   1.179    48.835    0.000    0.000
LGA    D   123_B      D   123_C    49.605     0    0.047   1.093    55.062    0.000    0.000
LGA    F   124_B      F   124_C    45.450     0    0.051   1.439    47.267    0.000    0.000
LGA    F   125_B      F   125_C    39.664     0    0.053   0.282    41.981    0.000    0.000
LGA    L   126_B      L   126_C    41.520     0    0.043   1.361    44.530    0.000    0.000
LGA    D   127_B      D   127_C    43.101     0    0.128   1.028    49.006    0.000    0.000
LGA    F   128_B      F   128_C    37.117     0    0.039   1.357    39.365    0.000    0.000
LGA    L   129_B      L   129_C    33.644     0    0.053   0.135    35.130    0.000    0.000
LGA    W   130_B      W   130_C    37.124     0    0.043   1.374    44.701    0.000    0.000
LGA    W   131_B      W   131_C    36.415     0    0.057   1.332    42.257    0.000    0.000
LGA    Q   132_B      Q   132_C    29.846     0    0.144   0.923    32.253    0.000    0.000
LGA    L   133_B      L   133_C    29.150     0    0.043   1.418    30.110    0.000    0.000
LGA    Y   134_B      Y   134_C    33.467     0    0.069   1.436    35.737    0.000    0.000
LGA    G   135_B      G   135_C    34.908     0    0.359   0.359    37.781    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      122     488    488  100.00    1060   1060  100.00               127
SUMMARY(RMSD_GDC):    22.243         22.143                 22.743           26.913   22.833

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  127    4.0     41    1.60    30.906    28.055     2.410

LGA_LOCAL      RMSD:   1.601  Number of atoms:   41  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.118  Number of assigned atoms:  122 
Std_ASGN_ATOMS RMSD:  22.243  Standard rmsd on all 122 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.830472 * X  +  -0.239436 * Y  +   0.502978 * Z  +  14.503621
  Y_new =  -0.524941 * X  +  -0.034204 * Y  +   0.850451 * Z  +  -3.098583
  Z_new =  -0.186425 * X  +  -0.970309 * Y  +  -0.154095 * Z  + 134.236679 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.563688  0.187522 -1.728291   [DEG:  -32.2969   10.7442  -99.0238 ]
ZXZ:  2.607502  1.725508 -2.951777   [DEG:  149.3989   98.8643 -169.1243 ]
 
# END of job
