
#######################################################
#                                                     #
#                        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  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , 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:   126      59_A - 187_A       0.99     0.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      59_A - 187_A       0.99     0.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      59_A - 187_A       0.99     0.99
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     R    59_A     R    59_A    126  126  126      0    3    5    5    6   92  120  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    60_A     R    60_A    126  126  126     39  105  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    61_A     V    61_A    126  126  126     60  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    62_A     K    62_A    126  126  126     60  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    63_A     L    63_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    64_A     R    64_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    65_A     K    65_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H    66_A     H    66_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    67_A     L    67_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    68_A     V    68_A    126  126  126     59  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    69_A     E    69_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    70_A     I    70_A    126  126  126     41  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    71_A     N    71_A    126  126  126     39  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    72_A     A    72_A    126  126  126     29  109  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    73_A     D    73_A    126  126  126     57  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    74_A     E    74_A    126  126  126     59  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_A     I    75_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    76_A     T    76_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_A     I    77_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    78_A     T    78_A    126  126  126     49  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    79_A     L    79_A    126  126  126     59  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    80_A     S    80_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    81_A     R    81_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    82_A     Y    82_A    126  126  126     62  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    83_A     T    83_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    84_A     S    84_A    126  126  126     31   97  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    85_A     P    85_A    126  126  126     23   84  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    86_A     E    86_A    126  126  126     23   57  119  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    87_A     A    87_A    126  126  126     23   84  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    88_A     L    88_A    126  126  126     44  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    89_A     E    89_A    126  126  126     43  100  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    90_A     R    90_A    126  126  126     23   93  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    91_A     S    91_A    126  126  126     39  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    92_A     I    92_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    93_A     T    93_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_A     A    94_A    126  126  126     17  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    95_A     L    95_A    126  126  126     42  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    96_A     A    96_A    126  126  126     19  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    97_A     A    97_A    126  126  126     19  110  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    98_A     M    98_A    126  126  126     19  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    99_A     T    99_A    126  126  126     19  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   100_A     G   100_A    126  126  126     23  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   101_A     H   101_A    126  126  126     59  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   102_A     A   102_A    126  126  126     55  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P   103_A     P   103_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   104_A     S   104_A    126  126  126     44  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   105_A     S   105_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   106_A     I   106_A    126  126  126     52  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   107_A     K   107_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   108_A     E   108_A    126  126  126     44  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   109_A     E   109_A    126  126  126     45  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     C   110_A     C   110_A    126  126  126     47  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   111_A     V   111_A    126  126  126     44  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_A     E   112_A    126  126  126     44  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   113_A     L   113_A    126  126  126     60  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   114_A     I   114_A    126  126  126     63  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   115_A     D   115_A    126  126  126     62  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_A     K   116_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   117_A     L   117_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_A     D   118_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   119_A     W   119_A    126  126  126     63  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   120_A     L   120_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   121_A     R   121_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   122_A     V   122_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   123_A     E   123_A    126  126  126     43  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N   124_A     N   124_A    126  126  126     15   49  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   125_A     D   125_A    126  126  126     63  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_A     V   126_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   127_A     I   127_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   128_A     Q   128_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   129_A     Y   129_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P   130_A     P   130_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   131_A     T   131_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_A     L   132_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   133_A     S   133_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   134_A     K   134_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   135_A     L   135_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   136_A     L   136_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   137_A     E   137_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   138_A     L   138_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   139_A     Y   139_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N   140_A     N   140_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   141_A     S   141_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   142_A     Q   142_A    126  126  126     25  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N   143_A     N   143_A    126  126  126     25  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   147_A     H   147_A    126  126  126     63  108  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   148_A     L   148_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   149_A     S   149_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   150_A     I   150_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   151_A     E   151_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   152_A     K   152_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   153_A     L   153_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   154_A     I   154_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   155_A     A   155_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   156_A     G   156_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   157_A     L   157_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   158_A     A   158_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   159_A     V   159_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   160_A     R   160_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   161_A     R   161_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   162_A     K   162_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   163_A     V   163_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     C   164_A     C   164_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   165_A     K   165_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   166_A     L   166_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   167_A     V   167_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   168_A     Q   168_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   169_A     D   169_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   170_A     G   170_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   171_A     H   171_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   172_A     I   172_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   173_A     D   173_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   174_A     E   174_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   175_A     T   175_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   176_A     V   176_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   177_A     Y   177_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   178_A     R   178_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   179_A     A   179_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   180_A     L   180_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   181_A     D   181_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   182_A     E   182_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M   183_A     M   183_A    126  126  126     65  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   184_A     A   184_A    126  126  126     63  111  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   185_A     A   185_A    126  126  126     52   92  121  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   186_A     G   186_A    126  126  126     24   83  118  124  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   187_A     A   187_A    126  126  126      0    3    4    5    6  123  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

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     65    111    121    124    124    124    125    125    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  51.59  88.10  96.03  98.41  98.41  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.60   0.70   0.75   0.75   0.75   0.85   0.85   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99
GDT RMS_ALL_AT   1.28   1.00   1.00   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A     5.914     6    0.562   0.579     7.010   32.024   12.554
LGA    R    60_A      R    60_A     1.078     6    0.625   0.567     3.900   81.786   33.680
LGA    V    61_A      V    61_A     0.203     0    0.052   0.080     0.485  100.000  100.000
LGA    K    62_A      K    62_A     0.333     0    0.074   0.421     2.497  100.000   91.905
LGA    L    63_A      L    63_A     0.478     0    0.042   1.272     2.756   97.619   85.536
LGA    R    64_A      R    64_A     0.338     6    0.064   0.083     0.373  100.000   45.455
LGA    K    65_A      K    65_A     0.396     0    0.021   0.259     1.027  100.000   95.820
LGA    H    66_A      H    66_A     0.407     0    0.060   0.345     1.218  100.000   95.333
LGA    L    67_A      L    67_A     0.404     0    0.034   1.015     3.311  100.000   84.107
LGA    V    68_A      V    68_A     0.238     0    0.023   0.066     0.322  100.000  100.000
LGA    E    69_A      E    69_A     0.530     0    0.060   0.230     1.831   97.619   89.683
LGA    I    70_A      I    70_A     0.690     0    0.024   0.203     0.813   90.476   91.667
LGA    N    71_A      N    71_A     0.850     0    0.019   0.195     1.197   90.476   89.345
LGA    A    72_A      A    72_A     1.014     0    0.174   0.221     1.854   81.548   81.524
LGA    D    73_A      D    73_A     0.139     0    0.189   0.910     2.728   95.357   83.571
LGA    E    74_A      E    74_A     0.452     0    0.127   0.964     3.030   95.238   84.339
LGA    I    75_A      I    75_A     0.658     0    0.125   1.248     3.396   92.857   83.214
LGA    T    76_A      T    76_A     0.612     0    0.033   0.106     0.899   90.476   90.476
LGA    I    77_A      I    77_A     0.581     0    0.025   0.570     2.241   90.476   87.262
LGA    T    78_A      T    78_A     0.362     0    0.026   0.078     0.735  100.000   98.639
LGA    L    79_A      L    79_A     0.236     0    0.014   0.132     0.627  100.000   98.810
LGA    S    80_A      S    80_A     0.169     0    0.026   0.049     0.358  100.000  100.000
LGA    R    81_A      R    81_A     0.199     0    0.030   1.140     3.630  100.000   86.710
LGA    Y    82_A      Y    82_A     0.276     0    0.090   0.074     0.601   97.619   99.206
LGA    T    83_A      T    83_A     0.531     0    0.028   0.059     0.678   92.857   93.197
LGA    S    84_A      S    84_A     1.293     0    0.021   0.056     1.711   81.429   78.571
LGA    P    85_A      P    85_A     1.656     0    0.037   0.097     2.161   72.857   70.544
LGA    E    86_A      E    86_A     1.968     0    0.056   1.339     7.335   72.857   47.566
LGA    A    87_A      A    87_A     1.466     0    0.048   0.048     1.611   79.286   79.714
LGA    L    88_A      L    88_A     0.824     0    0.056   0.112     1.143   88.214   90.536
LGA    E    89_A      E    89_A     1.236     0    0.034   1.053     5.759   81.429   60.476
LGA    R    90_A      R    90_A     1.445     0    0.019   1.332     5.914   81.429   63.377
LGA    S    91_A      S    91_A     0.827     0    0.033   0.056     1.019   88.214   88.968
LGA    I    92_A      I    92_A     0.423     0    0.074   0.146     0.837   97.619   95.238
LGA    T    93_A      T    93_A     0.473     0    0.025   0.051     1.173  100.000   94.626
LGA    A    94_A      A    94_A     0.721     0    0.040   0.045     0.914   90.476   90.476
LGA    L    95_A      L    95_A     0.491     0    0.028   0.129     0.788   95.238   95.238
LGA    A    96_A      A    96_A     0.754     0    0.025   0.048     0.977   90.476   90.476
LGA    A    97_A      A    97_A     0.911     0    0.074   0.090     1.176   88.214   88.667
LGA    M    98_A      M    98_A     0.702     0    0.023   0.189     0.921   90.476   91.667
LGA    T    99_A      T    99_A     0.814     0    0.057   0.056     0.996   90.476   90.476
LGA    G   100_A      G   100_A     0.756     0    0.030   0.030     0.756   90.476   90.476
LGA    H   101_A      H   101_A     0.364     5    0.010   0.020     0.623  100.000   49.048
LGA    A   102_A      A   102_A     0.363     0    0.053   0.098     0.640  100.000   98.095
LGA    P   103_A      P   103_A     0.596     0    0.048   0.071     0.807   92.857   93.197
LGA    S   104_A      S   104_A     0.927     0    0.055   0.140     1.305   90.476   87.460
LGA    S   105_A      S   105_A     0.711     0    0.068   0.535     1.773   90.476   87.540
LGA    I   106_A      I   106_A     0.446     0    0.022   0.149     0.670   95.238   95.238
LGA    K   107_A      K   107_A     0.675     0    0.022   0.327     1.073   90.476   90.529
LGA    E   108_A      E   108_A     0.777     3    0.020   0.688     2.933   90.476   56.614
LGA    E   109_A      E   109_A     0.605     0    0.036   0.632     2.423   90.476   79.048
LGA    C   110_A      C   110_A     0.459     0    0.033   0.042     0.532   97.619   98.413
LGA    V   111_A      V   111_A     0.742     0    0.044   0.087     0.992   90.476   90.476
LGA    E   112_A      E   112_A     0.725     0    0.065   0.534     2.313   90.476   84.603
LGA    L   113_A      L   113_A     0.386     0    0.032   0.125     0.713  100.000   98.810
LGA    I   114_A      I   114_A     0.313     0    0.042   0.117     0.529  100.000   98.810
LGA    D   115_A      D   115_A     0.298     0    0.033   0.826     3.282  100.000   83.988
LGA    K   116_A      K   116_A     0.288     2    0.089   0.147     0.488  100.000   77.778
LGA    L   117_A      L   117_A     0.156     0    0.038   0.110     0.272  100.000  100.000
LGA    D   118_A      D   118_A     0.582     0    0.022   0.685     3.389   95.238   78.571
LGA    W   119_A      W   119_A     0.745     0    0.039   0.141     0.745   90.476   93.878
LGA    L   120_A      L   120_A     0.534     0    0.120   0.144     0.834   95.238   92.857
LGA    R   121_A      R   121_A     0.484     0    0.034   0.981     2.729   92.857   87.706
LGA    V   122_A      V   122_A     0.651     0    0.128   0.139     1.111   92.857   90.544
LGA    E   123_A      E   123_A     0.567     4    0.038   0.066     1.019   90.595   50.317
LGA    N   124_A      N   124_A     1.471     0    0.087   0.161     3.216   79.286   68.274
LGA    D   125_A      D   125_A     0.146     0    0.044   0.724     2.496  100.000   87.798
LGA    V   126_A      V   126_A     0.211     0    0.040   0.083     0.721  100.000   97.279
LGA    I   127_A      I   127_A     0.161     0    0.051   0.103     0.296  100.000  100.000
LGA    Q   128_A      Q   128_A     0.549     0    0.030   1.046     2.717   97.619   89.048
LGA    Y   129_A      Y   129_A     0.584     0    0.050   0.191     2.375   92.857   82.460
LGA    P   130_A      P   130_A     0.617     0    0.043   0.084     0.869   95.238   93.197
LGA    T   131_A      T   131_A     0.320     0    0.026   0.101     0.500  100.000  100.000
LGA    L   132_A      L   132_A     0.457     0    0.037   0.110     0.549  100.000   98.810
LGA    S   133_A      S   133_A     0.721     0    0.031   0.603     1.278   90.476   87.460
LGA    K   134_A      K   134_A     0.430     4    0.073   0.071     0.528  100.000   54.497
LGA    L   135_A      L   135_A     0.451     0    0.038   0.167     0.681   97.619   97.619
LGA    L   136_A      L   136_A     0.569     0    0.024   1.222     2.784   90.476   83.155
LGA    E   137_A      E   137_A     0.660     4    0.054   0.055     0.806   90.476   50.265
LGA    L   138_A      L   138_A     0.514     3    0.041   0.039     0.702   90.476   57.738
LGA    Y   139_A      Y   139_A     0.682     0    0.013   0.096     1.328   90.476   87.460
LGA    N   140_A      N   140_A     0.716     0    0.058   0.079     1.131   90.476   88.214
LGA    S   141_A      S   141_A     0.767     0    0.164   0.170     0.826   90.476   90.476
LGA    Q   142_A      Q   142_A     1.129     4    0.182   0.175     1.541   79.286   45.291
LGA    N   143_A      N   143_A     1.133     3    0.119   0.143     1.358   81.429   52.024
LGA    H   147_A      H   147_A     1.271     0    0.066   1.162     3.017   81.429   74.190
LGA    L   148_A      L   148_A     0.749     0    0.044   0.156     1.095   90.476   89.345
LGA    S   149_A      S   149_A     0.839     0    0.023   0.046     1.013   90.476   88.968
LGA    I   150_A      I   150_A     0.710     0    0.017   0.479     2.171   90.476   87.262
LGA    E   151_A      E   151_A     0.826     0    0.026   0.942     2.481   90.476   81.746
LGA    K   152_A      K   152_A     0.791     0    0.036   0.726     2.104   90.476   85.714
LGA    L   153_A      L   153_A     0.700     0    0.026   0.086     0.873   92.857   91.667
LGA    I   154_A      I   154_A     0.419     0    0.024   0.074     0.502  100.000   98.810
LGA    A   155_A      A   155_A     0.623     0    0.032   0.035     0.623   90.476   90.476
LGA    G   156_A      G   156_A     0.569     0    0.030   0.030     0.583   95.238   95.238
LGA    L   157_A      L   157_A     0.408     0    0.037   0.067     0.489  100.000  100.000
LGA    A   158_A      A   158_A     0.437     0    0.087   0.091     0.480  100.000  100.000
LGA    V   159_A      V   159_A     0.697     0    0.065   0.110     0.900   90.476   90.476
LGA    R   160_A      R   160_A     0.616     0    0.008   0.989     2.985   90.476   83.463
LGA    R   161_A      R   161_A     0.656     0    0.064   1.073     6.105   92.857   70.606
LGA    K   162_A      K   162_A     0.813     0    0.053   0.703     2.704   90.476   79.101
LGA    V   163_A      V   163_A     0.663     0    0.027   0.076     0.827   90.476   91.837
LGA    C   164_A      C   164_A     0.709     0    0.023   0.104     0.820   90.476   90.476
LGA    K   165_A      K   165_A     0.732     0    0.056   0.724     3.768   90.476   82.275
LGA    L   166_A      L   166_A     0.671     0    0.056   0.157     0.771   90.476   90.476
LGA    V   167_A      V   167_A     0.529     0    0.022   0.043     0.548   92.857   94.558
LGA    Q   168_A      Q   168_A     0.552     0    0.038   0.967     4.067   90.476   80.794
LGA    D   169_A      D   169_A     0.763     0    0.033   0.141     0.901   90.476   91.667
LGA    G   170_A      G   170_A     0.580     0    0.009   0.009     0.646   90.476   90.476
LGA    H   171_A      H   171_A     0.518     0    0.090   1.072     2.390   92.857   84.476
LGA    I   172_A      I   172_A     0.348     0    0.017   0.159     0.693  100.000   98.810
LGA    D   173_A      D   173_A     0.653     0    0.010   0.151     1.126   90.476   89.345
LGA    E   174_A      E   174_A     0.942     4    0.033   0.036     1.115   90.476   49.259
LGA    T   175_A      T   175_A     0.883     0    0.013   0.169     1.285   90.476   89.184
LGA    V   176_A      V   176_A     0.462     0    0.032   0.110     0.598   95.238   95.918
LGA    Y   177_A      Y   177_A     0.758     7    0.055   0.060     0.856   90.476   37.698
LGA    R   178_A      R   178_A     0.883     0    0.045   0.645     4.170   90.476   72.338
LGA    A   179_A      A   179_A     0.585     0    0.038   0.043     0.638   92.857   92.381
LGA    L   180_A      L   180_A     0.445     0    0.036   0.079     0.685   95.238   97.619
LGA    D   181_A      D   181_A     0.886     0    0.025   0.206     1.326   88.214   84.821
LGA    E   182_A      E   182_A     1.052     0    0.036   0.238     1.799   85.952   82.487
LGA    M   183_A      M   183_A     0.690     0    0.076   0.100     1.187   88.214   92.917
LGA    A   184_A      A   184_A     1.037     0    0.023   0.025     1.405   83.690   85.048
LGA    A   185_A      A   185_A     1.547     0    0.110   0.129     2.182   72.976   72.952
LGA    G   186_A      G   186_A     1.886     0    0.243   0.243     3.048   69.286   69.286
LGA    A   187_A      A   187_A     4.515     0    0.075   0.112     5.566   42.738   38.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):     0.991          0.942                  1.324           91.278   83.622

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0    125    0.85    96.429    98.364    13.196

LGA_LOCAL      RMSD:   0.847  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.995  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   0.991  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.021787 * X  +   0.034560 * Y  +   0.999165 * Z  + -15.847641
  Y_new =   0.548725 * X  +  -0.835831 * Y  +   0.016946 * Z  +  20.947994
  Z_new =   0.835719 * X  +   0.547898 * Y  +  -0.037175 * Z  +  17.619188 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.531112 -0.989440  1.638542   [DEG:   87.7263  -56.6907   93.8815 ]
ZXZ:  1.587754  1.607980  0.990494   [DEG:   90.9716   92.1304   56.7511 ]
 
# END of job
