
#######################################################
#                                                     #
#                        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  127 (  959),  selected  127 , name one
# Molecule2: number of CA atoms  222 ( 1696),  selected  127 , 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:   127      74_A - 200_A       1.78     1.78
  LCS_AVERAGE:     57.21

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      74_A - 200_A       1.78     1.78
  LCS_AVERAGE:     57.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.92     1.83
  LCS_AVERAGE:     54.02

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     A    74_A     A    74_A      3  127  127      3    3    5    7    9   10   17   19   20   24   73  123  126  127  127  127  127  127  127  127 
LCS_GDT     W    75_A     W    75_A      3  127  127      3    3    5    7   13   15   19   21  108  116  121  125  126  127  127  127  127  127  127  127 
LCS_GDT     G    76_A     G    76_A     93  127  127      3    3    3    5   10   14   26   94  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     S    77_A     S    77_A    123  127  127      3    7   46   83  116  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K    78_A     K    78_A    123  127  127     97  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K    79_A     K    79_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I    80_A     I    80_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L    81_A     L    81_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I    82_A     I    82_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E    84_A     E    84_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     S    85_A     S    85_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D    86_A     D    86_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     T    87_A     T    87_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A    88_A     A    88_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L    89_A     L    89_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A    91_A     A    91_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     T    92_A     T    92_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L    93_A     L    93_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R    94_A     R    94_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     S    95_A     S    95_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A    96_A     A    96_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L    97_A     L    97_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E    98_A     E    98_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G    99_A     G    99_A    123  127  127     97  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R   100_A     R   100_A    123  127  127     95  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   101_A     G   101_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     F   102_A     F   102_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     T   103_A     T   103_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   104_A     V   104_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   105_A     D   105_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E   106_A     E   106_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     T   107_A     T   107_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     T   108_A     T   108_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   110_A     G   110_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   111_A     K   111_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   112_A     G   112_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     S   113_A     S   113_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E   115_A     E   115_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     Q   116_A     Q   116_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I   117_A     I   117_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R   118_A     R   118_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R   119_A     R   119_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     P   122_A     P   122_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   123_A     D   123_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   124_A     L   124_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   125_A     V   125_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   126_A     V   126_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   127_A     L   127_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   128_A     A   128_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   129_A     V   129_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   130_A     D   130_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   131_A     L   131_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     S   132_A     S   132_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   133_A     A   133_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   134_A     G   134_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     Q   135_A     Q   135_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     N   136_A     N   136_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   137_A     G   137_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     Y   138_A     Y   138_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   139_A     L   139_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I   140_A     I   140_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     C   141_A     C   141_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   142_A     G   142_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   143_A     K   143_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   144_A     L   144_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   145_A     K   145_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   146_A     K   146_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   147_A     D   147_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   148_A     D   148_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   149_A     D   149_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   150_A     L   150_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   151_A     K   151_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     N   152_A     N   152_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   153_A     V   153_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     P   154_A     P   154_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I   155_A     I   155_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   156_A     V   156_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I   157_A     I   157_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I   158_A     I   158_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   159_A     G   159_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     N   160_A     N   160_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     P   161_A     P   161_A    123  127  127     54  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   162_A     D   162_A    123  127  127     85  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   163_A     G   163_A    123  127  127     16  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     F   164_A     F   164_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   165_A     A   165_A    123  127  127     49  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     Q   166_A     Q   166_A    123  127  127     16  110  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     H   167_A     H   167_A    123  127  127     85  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R   168_A     R   168_A    123  127  127     17  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   169_A     K   169_A    123  127  127      5   51  114  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   170_A     L   170_A    123  127  127      5    6   76  118  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   171_A     K   171_A    123  127  127      3    3    3   46  108  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   172_A     A   172_A    123  127  127      3   99  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     H   173_A     H   173_A    123  127  127     14   62  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   174_A     A   174_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   175_A     D   175_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E   176_A     E   176_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     Y   177_A     Y   177_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   178_A     V   178_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   179_A     A   179_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     K   180_A     K   180_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     P   181_A     P   181_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   182_A     V   182_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   183_A     D   183_A    123  127  127     86  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   184_A     A   184_A    123  127  127     97  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     D   185_A     D   185_A    123  127  127     86  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     Q   186_A     Q   186_A    123  127  127     93  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   187_A     L   187_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     V   188_A     V   188_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E   189_A     E   189_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     R   190_A     R   190_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   191_A     A   191_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   192_A     G   192_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     A   193_A     A   193_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     L   194_A     L   194_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     I   195_A     I   195_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   196_A     G   196_A    123  127  127     53  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     F   197_A     F   197_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     P   198_A     P   198_A    123  127  127     98  113  117  119  120  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     E   199_A     E   199_A    123  127  127      1    8   18   46  119  122  123  123  123  124  125  125  126  127  127  127  127  127  127  127 
LCS_GDT     G   200_A     G   200_A      3  127  127      2    3    5    9   12   25   64   79  123  124  125  125  125  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  56.15  (  54.02   57.21   57.21 )

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     98    113    117    119    120    122    123    123    123    124    125    125    126    127    127    127    127    127    127    127 
GDT PERCENT_AT  44.14  50.90  52.70  53.60  54.05  54.95  55.41  55.41  55.41  55.86  56.31  56.31  56.76  57.21  57.21  57.21  57.21  57.21  57.21  57.21
GDT RMS_LOCAL    0.24   0.37   0.47   0.56   0.64   0.82   0.92   0.92   0.92   1.08   1.25   1.25   1.70   1.78   1.78   1.78   1.78   1.78   1.78   1.78
GDT RMS_ALL_AT   1.94   1.91   1.90   1.89   1.87   1.84   1.83   1.83   1.83   1.83   1.81   1.81   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78

# Checking swapping
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   123_A      D   123_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  D   175_A      D   175_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  E   199_A      E   199_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    74_A      A    74_A    11.679     0    0.667   0.629    13.005    0.000    0.000
LGA    W    75_A      W    75_A     9.514     0    0.105   0.191    16.791    2.619    0.782
LGA    G    76_A      G    76_A     7.332     0    0.691   0.691     7.775   15.000   15.000
LGA    S    77_A      S    77_A     3.914     0    0.512   0.861     5.233   55.952   48.730
LGA    K    78_A      K    78_A     0.612     0    0.507   0.803     3.511   90.833   70.635
LGA    K    79_A      K    79_A     0.395     0    0.023   0.722     4.545  100.000   77.354
LGA    I    80_A      I    80_A     0.291     0    0.018   0.115     0.362  100.000  100.000
LGA    L    81_A      L    81_A     0.172     0    0.022   0.084     0.306  100.000  100.000
LGA    I    82_A      I    82_A     0.084     0    0.011   0.055     0.226  100.000  100.000
LGA    V    83_A      V    83_A     0.099     0    0.018   0.045     0.235  100.000  100.000
LGA    E    84_A      E    84_A     0.172     0    0.038   0.104     0.426  100.000  100.000
LGA    S    85_A      S    85_A     0.336     0    0.013   0.631     2.246  100.000   94.127
LGA    D    86_A      D    86_A     0.209     0    0.026   0.080     0.308  100.000  100.000
LGA    T    87_A      T    87_A     0.171     0    0.014   0.158     0.680  100.000   98.639
LGA    A    88_A      A    88_A     0.157     0    0.028   0.031     0.238  100.000  100.000
LGA    L    89_A      L    89_A     0.331     0    0.041   0.131     0.507  100.000   98.810
LGA    S    90_A      S    90_A     0.233     0    0.061   0.127     0.525  100.000   98.413
LGA    A    91_A      A    91_A     0.200     0    0.025   0.024     0.288  100.000  100.000
LGA    T    92_A      T    92_A     0.369     0    0.021   0.065     0.676  100.000   97.279
LGA    L    93_A      L    93_A     0.186     0    0.021   0.059     0.272  100.000  100.000
LGA    R    94_A      R    94_A     0.234     0    0.062   0.123     0.436  100.000  100.000
LGA    S    95_A      S    95_A     0.533     0    0.028   0.120     1.006   92.857   90.556
LGA    A    96_A      A    96_A     0.590     0    0.042   0.048     0.833   90.476   90.476
LGA    L    97_A      L    97_A     0.362     0    0.035   0.067     0.507   97.619   98.810
LGA    E    98_A      E    98_A     0.433     0    0.025   0.087     0.475  100.000  100.000
LGA    G    99_A      G    99_A     0.508     0    0.049   0.049     0.516   95.238   95.238
LGA    R   100_A      R   100_A     0.540     0    0.120   1.722     7.580   95.238   63.203
LGA    G   101_A      G   101_A     0.586     0    0.014   0.014     0.655   95.238   95.238
LGA    F   102_A      F   102_A     0.241     0    0.068   0.110     0.362  100.000  100.000
LGA    T   103_A      T   103_A     0.406     0    0.045   0.162     0.854   97.619   97.279
LGA    V   104_A      V   104_A     0.328     0    0.009   0.046     0.416  100.000  100.000
LGA    D   105_A      D   105_A     0.304     0    0.017   0.221     1.030  100.000   95.298
LGA    E   106_A      E   106_A     0.218     0    0.022   0.110     0.323  100.000  100.000
LGA    T   107_A      T   107_A     0.079     0    0.035   0.080     0.448  100.000  100.000
LGA    T   108_A      T   108_A     0.439     0    0.047   0.258     1.164  100.000   93.333
LGA    D   109_A      D   109_A     0.041     0    0.048   0.278     0.990  100.000   98.810
LGA    G   110_A      G   110_A     0.144     0    0.069   0.069     0.307  100.000  100.000
LGA    K   111_A      K   111_A     0.172     0    0.025   0.310     0.887  100.000   96.825
LGA    G   112_A      G   112_A     0.327     0    0.012   0.012     0.327  100.000  100.000
LGA    S   113_A      S   113_A     0.185     0    0.042   0.082     0.402  100.000  100.000
LGA    V   114_A      V   114_A     0.366     0    0.008   0.110     0.424  100.000  100.000
LGA    E   115_A      E   115_A     0.356     0    0.036   0.096     0.785  100.000   96.825
LGA    Q   116_A      Q   116_A     0.339     0    0.026   0.052     0.374  100.000  100.000
LGA    I   117_A      I   117_A     0.343     0    0.015   0.066     0.394  100.000  100.000
LGA    R   118_A      R   118_A     0.438     0    0.049   0.109     0.438  100.000  100.000
LGA    R   119_A      R   119_A     0.567     0    0.033   0.116     0.698   92.857   96.537
LGA    D   120_A      D   120_A     0.774     0    0.033   0.100     0.889   90.476   90.476
LGA    R   121_A      R   121_A     0.819     0    0.022   0.421     1.922   90.476   85.628
LGA    P   122_A      P   122_A     0.415     0    0.025   0.106     0.529   97.619   98.639
LGA    D   123_A      D   123_A     0.340     0    0.028   0.572     2.294  100.000   93.214
LGA    L   124_A      L   124_A     0.224     0    0.004   0.062     0.475  100.000  100.000
LGA    V   125_A      V   125_A     0.186     0    0.022   0.077     0.356  100.000  100.000
LGA    V   126_A      V   126_A     0.178     0    0.038   0.037     0.237  100.000  100.000
LGA    L   127_A      L   127_A     0.253     0    0.034   0.063     0.594  100.000   98.810
LGA    A   128_A      A   128_A     0.348     0    0.021   0.021     0.353  100.000  100.000
LGA    V   129_A      V   129_A     0.340     0    0.030   0.072     0.585  100.000   98.639
LGA    D   130_A      D   130_A     0.492     0    0.054   0.775     3.082  100.000   82.798
LGA    L   131_A      L   131_A     0.370     0    0.025   0.164     0.508  100.000   98.810
LGA    S   132_A      S   132_A     0.130     0    0.033   0.067     0.303  100.000  100.000
LGA    A   133_A      A   133_A     0.216     0    0.039   0.038     0.225  100.000  100.000
LGA    G   134_A      G   134_A     0.360     0    0.083   0.083     0.385  100.000  100.000
LGA    Q   135_A      Q   135_A     0.303     0    0.032   0.261     0.822   97.619   97.884
LGA    N   136_A      N   136_A     0.641     0    0.042   0.511     2.797   92.857   87.560
LGA    G   137_A      G   137_A     0.501     0    0.011   0.011     0.539   95.238   95.238
LGA    Y   138_A      Y   138_A     0.569     0    0.032   0.074     1.115   90.476   89.722
LGA    L   139_A      L   139_A     0.738     0    0.025   0.098     1.166   90.476   88.214
LGA    I   140_A      I   140_A     0.551     0    0.012   0.060     0.639   90.476   92.857
LGA    C   141_A      C   141_A     0.612     0    0.045   0.083     0.630   90.476   90.476
LGA    G   142_A      G   142_A     0.538     0    0.027   0.027     0.611   92.857   92.857
LGA    K   143_A      K   143_A     0.502     0    0.020   0.835     3.091   90.476   83.598
LGA    L   144_A      L   144_A     0.472     0    0.024   0.079     0.519   95.238   96.429
LGA    K   145_A      K   145_A     0.558     0    0.036   0.120     0.745   90.476   93.651
LGA    K   146_A      K   146_A     0.643     0    0.096   0.639     3.376   90.476   76.561
LGA    D   147_A      D   147_A     0.606     0    0.015   0.094     0.641   90.476   90.476
LGA    D   148_A      D   148_A     0.669     0    0.067   0.825     3.129   92.857   79.226
LGA    D   149_A      D   149_A     0.547     0    0.002   0.277     1.620   95.238   90.655
LGA    L   150_A      L   150_A     0.181     0    0.015   1.114     2.276  100.000   90.000
LGA    K   151_A      K   151_A     0.345     0    0.030   0.269     1.203  100.000   93.757
LGA    N   152_A      N   152_A     0.330     0    0.022   0.137     1.098  100.000   95.298
LGA    V   153_A      V   153_A     0.272     0    0.040   0.091     0.513  100.000   98.639
LGA    P   154_A      P   154_A     0.404     0    0.041   0.213     0.559  100.000   98.639
LGA    I   155_A      I   155_A     0.258     0    0.038   0.632     1.598  100.000   93.095
LGA    V   156_A      V   156_A     0.318     0    0.025   0.085     0.658  100.000   98.639
LGA    I   157_A      I   157_A     0.309     0    0.030   0.537     1.457  100.000   96.488
LGA    I   158_A      I   158_A     0.303     0    0.076   0.140     0.427  100.000  100.000
LGA    G   159_A      G   159_A     0.606     0    0.033   0.033     0.606   97.619   97.619
LGA    N   160_A      N   160_A     0.510     0    0.045   0.277     1.683   92.857   88.333
LGA    P   161_A      P   161_A     0.852     0    0.120   0.304     1.014   90.476   89.184
LGA    D   162_A      D   162_A     0.721     0    0.096   0.746     3.496   92.857   76.250
LGA    G   163_A      G   163_A     1.137     0    0.049   0.049     1.137   85.952   85.952
LGA    F   164_A      F   164_A     0.223     0    0.067   0.096     0.660  100.000   97.403
LGA    A   165_A      A   165_A     1.070     0    0.026   0.026     1.371   83.690   83.238
LGA    Q   166_A      Q   166_A     1.466     0    0.027   1.352     6.712   81.429   58.836
LGA    H   167_A      H   167_A     0.506     0    0.083   0.213     1.019   90.476   91.476
LGA    R   168_A      R   168_A     1.213     0    0.026   0.817     2.887   77.381   75.541
LGA    K   169_A      K   169_A     2.554     0    0.141   0.563     4.753   61.071   57.725
LGA    L   170_A      L   170_A     3.314     0    0.694   0.578     5.258   44.167   39.286
LGA    K   171_A      K   171_A     4.492     0    0.608   0.853    10.999   41.905   20.952
LGA    A   172_A      A   172_A     1.599     0    0.186   0.206     2.076   72.857   71.238
LGA    H   173_A      H   173_A     1.819     0    0.139   1.079     4.090   77.143   64.857
LGA    A   174_A      A   174_A     0.434     0    0.059   0.093     0.736   95.238   96.190
LGA    D   175_A      D   175_A     0.543     0    0.037   0.109     0.647   92.857   94.048
LGA    E   176_A      E   176_A     0.554     0    0.031   0.358     1.354   92.857   92.646
LGA    Y   177_A      Y   177_A     0.422     0    0.044   0.075     0.825  100.000   94.444
LGA    V   178_A      V   178_A     0.538     0    0.039   0.078     0.550   92.857   93.197
LGA    A   179_A      A   179_A     0.582     0    0.054   0.051     0.755   95.238   94.286
LGA    K   180_A      K   180_A     0.231     0    0.014   0.422     1.177  100.000   95.873
LGA    P   181_A      P   181_A     0.246     0    0.027   0.371     1.452  100.000   97.347
LGA    V   182_A      V   182_A     0.282     0    0.086   1.106     2.540   97.619   86.122
LGA    D   183_A      D   183_A     1.030     0    0.028   0.598     3.663   85.952   70.060
LGA    A   184_A      A   184_A     0.668     0    0.040   0.044     0.881   92.857   92.381
LGA    D   185_A      D   185_A     0.815     0    0.078   0.263     1.554   92.857   86.071
LGA    Q   186_A      Q   186_A     0.667     0    0.020   1.260     5.223   90.476   75.926
LGA    L   187_A      L   187_A     0.255     0    0.028   0.059     0.467  100.000  100.000
LGA    V   188_A      V   188_A     0.178     0    0.034   0.173     0.619  100.000   97.279
LGA    E   189_A      E   189_A     0.371     0    0.035   1.069     4.965  100.000   76.455
LGA    R   190_A      R   190_A     0.086     0    0.037   0.278     0.926  100.000   97.403
LGA    A   191_A      A   191_A     0.324     0    0.032   0.036     0.424  100.000  100.000
LGA    G   192_A      G   192_A     0.346     0    0.038   0.038     0.393  100.000  100.000
LGA    A   193_A      A   193_A     0.436     0    0.049   0.053     0.511  100.000   98.095
LGA    L   194_A      L   194_A     0.417     0    0.029   0.048     0.535   97.619   98.810
LGA    I   195_A      I   195_A     0.300     0    0.724   0.633     3.132   85.119   92.560
LGA    G   196_A      G   196_A     0.927     0    0.097   0.097     1.273   90.595   90.595
LGA    F   197_A      F   197_A     0.588     0    0.049   0.126     1.305   92.857   86.407
LGA    P   198_A      P   198_A     0.542     0    0.630   0.616     2.271   86.429   86.871
LGA    E   199_A      E   199_A     4.042     0    0.562   1.000    10.839   42.619   23.069
LGA    G   200_A      G   200_A     6.568     0    0.562   0.562     6.568   22.024   22.024

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00     959    959  100.00               222
SUMMARY(RMSD_GDC):     1.782          1.729                  2.340           52.350   50.456

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  127  222    4.0    123    0.92    54.279    55.350    12.085

LGA_LOCAL      RMSD:   0.918  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.835  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.782  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.960796 * X  +   0.222857 * Y  +   0.164943 * Z  +  21.484734
  Y_new =   0.261158 * X  +   0.527667 * Y  +   0.808310 * Z  +  17.967993
  Z_new =   0.093103 * X  +   0.819696 * Y  +  -0.565181 * Z  +  16.539501 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.876191 -0.093238  2.174441   [DEG:  164.7936   -5.3421  124.5863 ]
ZXZ:  2.940297  2.171449  0.113097   [DEG:  168.4666  124.4149    6.4800 ]
 
# END of job
