
#######################################################
#                                                     #
#                        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  123 (  932),  selected  123 , name one
# Molecule2: number of CA atoms  222 ( 1696),  selected  123 , 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:   123      77_A - 199_A       0.43     0.43
  LCS_AVERAGE:     55.41

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.43     0.43
  LCS_AVERAGE:     55.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.43     0.43
  LCS_AVERAGE:     55.41

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     S    77_A     S    77_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    78_A     K    78_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    79_A     K    79_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    80_A     I    80_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    81_A     L    81_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    82_A     I    82_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    83_A     V    83_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    84_A     E    84_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    85_A     S    85_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    86_A     D    86_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    87_A     T    87_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    88_A     A    88_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    89_A     L    89_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    90_A     S    90_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    91_A     A    91_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    92_A     T    92_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    93_A     L    93_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    94_A     R    94_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    95_A     S    95_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    96_A     A    96_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    97_A     L    97_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    98_A     E    98_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    99_A     G    99_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   100_A     R   100_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   101_A     G   101_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F   102_A     F   102_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   103_A     T   103_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   104_A     V   104_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   105_A     D   105_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   106_A     E   106_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   107_A     T   107_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   108_A     T   108_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   109_A     D   109_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   110_A     G   110_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   111_A     K   111_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   112_A     G   112_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   113_A     S   113_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   114_A     V   114_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   115_A     E   115_A    123  123  123     96  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   116_A     Q   116_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   117_A     I   117_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   118_A     R   118_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   119_A     R   119_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   120_A     D   120_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   121_A     R   121_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   122_A     P   122_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   123_A     D   123_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   124_A     L   124_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   125_A     V   125_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   126_A     V   126_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   127_A     L   127_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   128_A     A   128_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   129_A     V   129_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   130_A     D   130_A    123  123  123     90  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   131_A     L   131_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   132_A     S   132_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   133_A     A   133_A    123  123  123     90  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   134_A     G   134_A    123  123  123     65  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   135_A     Q   135_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N   136_A     N   136_A    123  123  123     78  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   137_A     G   137_A    123  123  123     90  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   138_A     Y   138_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   139_A     L   139_A    123  123  123     59  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   140_A     I   140_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     C   141_A     C   141_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   142_A     G   142_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   143_A     K   143_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   144_A     L   144_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   145_A     K   145_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   146_A     K   146_A    123  123  123     80  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   147_A     D   147_A    123  123  123     91  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   148_A     D   148_A    123  123  123     89  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   149_A     D   149_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   150_A     L   150_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   151_A     K   151_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N   152_A     N   152_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   153_A     V   153_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   154_A     P   154_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   155_A     I   155_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   156_A     V   156_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   157_A     I   157_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   158_A     I   158_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   159_A     G   159_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N   160_A     N   160_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   161_A     P   161_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   162_A     D   162_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   163_A     G   163_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F   164_A     F   164_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   165_A     A   165_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   166_A     Q   166_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     H   167_A     H   167_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   168_A     R   168_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   169_A     K   169_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   170_A     L   170_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   171_A     K   171_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   172_A     A   172_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     H   173_A     H   173_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   174_A     A   174_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   175_A     D   175_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   176_A     E   176_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   177_A     Y   177_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   178_A     V   178_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   179_A     A   179_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   180_A     K   180_A    123  123  123     96  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   181_A     P   181_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   182_A     V   182_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   183_A     D   183_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   184_A     A   184_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   185_A     D   185_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   186_A     Q   186_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   187_A     L   187_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   188_A     V   188_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   189_A     E   189_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   190_A     R   190_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   191_A     A   191_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   192_A     G   192_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   193_A     A   193_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   194_A     L   194_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   195_A     I   195_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   196_A     G   196_A    123  123  123     40  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F   197_A     F   197_A    123  123  123     97  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   198_A     P   198_A    123  123  123     90  121  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   199_A     E   199_A    123  123  123      5  115  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123  123 
LCS_AVERAGE  LCS_A:  55.41  (  55.41   55.41   55.41 )

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     97    121    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123 
GDT PERCENT_AT  43.69  54.50  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41  55.41
GDT RMS_LOCAL    0.29   0.39   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43
GDT RMS_ALL_AT   0.44   0.44   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43   0.43

# Checking swapping
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  E    98_A      E    98_A
#   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:  E   115_A      E   115_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  Y   177_A      Y   177_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    S    77_A      S    77_A     0.579     0    0.125   0.359     0.969   92.857   92.063
LGA    K    78_A      K    78_A     0.293     0    0.041   0.357     3.641  100.000   83.651
LGA    K    79_A      K    79_A     0.288     0    0.045   0.696     1.505  100.000   91.746
LGA    I    80_A      I    80_A     0.134     0    0.022   0.119     0.371  100.000  100.000
LGA    L    81_A      L    81_A     0.161     0    0.007   0.074     0.232  100.000  100.000
LGA    I    82_A      I    82_A     0.058     0    0.006   0.059     0.188  100.000  100.000
LGA    V    83_A      V    83_A     0.156     0    0.008   0.032     0.193  100.000  100.000
LGA    E    84_A      E    84_A     0.222     0    0.070   0.163     0.435  100.000  100.000
LGA    S    85_A      S    85_A     0.494     0    0.056   0.073     0.809  100.000   96.825
LGA    D    86_A      D    86_A     0.341     0    0.026   0.103     0.591  100.000   95.238
LGA    T    87_A      T    87_A     0.375     0    0.036   0.108     0.528  100.000   98.639
LGA    A    88_A      A    88_A     0.324     0    0.039   0.043     0.346  100.000  100.000
LGA    L    89_A      L    89_A     0.197     0    0.027   0.061     0.294  100.000  100.000
LGA    S    90_A      S    90_A     0.151     0    0.055   0.131     0.306  100.000  100.000
LGA    A    91_A      A    91_A     0.272     0    0.029   0.030     0.303  100.000  100.000
LGA    T    92_A      T    92_A     0.316     0    0.021   0.098     0.387  100.000  100.000
LGA    L    93_A      L    93_A     0.178     0    0.030   0.060     0.322  100.000  100.000
LGA    R    94_A      R    94_A     0.177     0    0.034   0.162     1.231  100.000   94.069
LGA    S    95_A      S    95_A     0.260     0    0.066   0.589     2.286  100.000   94.127
LGA    A    96_A      A    96_A     0.194     0    0.027   0.025     0.251  100.000  100.000
LGA    L    97_A      L    97_A     0.080     0    0.029   0.079     0.322  100.000  100.000
LGA    E    98_A      E    98_A     0.226     0    0.030   0.140     0.458  100.000  100.000
LGA    G    99_A      G    99_A     0.461     0    0.010   0.010     0.545   97.619   97.619
LGA    R   100_A      R   100_A     0.522     0    0.081   0.203     0.859   90.476   93.074
LGA    G   101_A      G   101_A     0.551     0    0.021   0.021     0.551   92.857   92.857
LGA    F   102_A      F   102_A     0.271     0    0.026   0.047     0.377  100.000  100.000
LGA    T   103_A      T   103_A     0.198     0    0.035   0.084     0.519  100.000   98.639
LGA    V   104_A      V   104_A     0.101     0    0.041   0.066     0.360  100.000  100.000
LGA    D   105_A      D   105_A     0.065     0    0.034   0.188     0.914  100.000   98.810
LGA    E   106_A      E   106_A     0.293     0    0.020   0.494     1.458  100.000   96.878
LGA    T   107_A      T   107_A     0.095     0    0.025   0.068     0.256  100.000  100.000
LGA    T   108_A      T   108_A     0.312     0    0.030   0.144     0.872  100.000   95.918
LGA    D   109_A      D   109_A     0.301     0    0.102   0.291     1.103   97.619   94.107
LGA    G   110_A      G   110_A     0.340     0    0.175   0.175     0.700   97.619   97.619
LGA    K   111_A      K   111_A     0.207     0    0.074   0.752     2.333  100.000   91.111
LGA    G   112_A      G   112_A     0.183     0    0.037   0.037     0.406  100.000  100.000
LGA    S   113_A      S   113_A     0.246     0    0.019   0.088     0.371  100.000  100.000
LGA    V   114_A      V   114_A     0.247     0    0.017   0.074     0.392  100.000  100.000
LGA    E   115_A      E   115_A     0.525     0    0.069   1.221     4.855   97.619   79.683
LGA    Q   116_A      Q   116_A     0.363     0    0.036   0.116     0.607  100.000   98.942
LGA    I   117_A      I   117_A     0.165     0    0.017   0.090     0.414  100.000  100.000
LGA    R   118_A      R   118_A     0.112     0    0.025   0.309     1.120  100.000   96.580
LGA    R   119_A      R   119_A     0.200     0    0.025   0.858     5.318  100.000   72.814
LGA    D   120_A      D   120_A     0.143     0    0.047   0.097     0.436  100.000  100.000
LGA    R   121_A      R   121_A     0.200     0    0.029   0.393     1.324  100.000   94.026
LGA    P   122_A      P   122_A     0.266     0    0.048   0.093     0.497  100.000  100.000
LGA    D   123_A      D   123_A     0.276     0    0.035   0.039     0.362  100.000  100.000
LGA    L   124_A      L   124_A     0.177     0    0.027   0.052     0.352  100.000  100.000
LGA    V   125_A      V   125_A     0.270     0    0.029   0.043     0.322  100.000  100.000
LGA    V   126_A      V   126_A     0.190     0    0.047   0.045     0.249  100.000  100.000
LGA    L   127_A      L   127_A     0.130     0    0.022   0.053     0.215  100.000  100.000
LGA    A   128_A      A   128_A     0.429     0    0.048   0.044     0.575  100.000   98.095
LGA    V   129_A      V   129_A     0.362     0    0.012   0.072     0.620   95.238   97.279
LGA    D   130_A      D   130_A     0.605     0    0.025   0.162     1.047   95.238   91.726
LGA    L   131_A      L   131_A     0.183     0    0.025   0.140     0.442  100.000  100.000
LGA    S   132_A      S   132_A     0.272     0    0.027   0.037     0.455  100.000  100.000
LGA    A   133_A      A   133_A     0.840     0    0.073   0.070     1.410   85.952   86.857
LGA    G   134_A      G   134_A     1.187     0    0.019   0.019     1.371   83.690   83.690
LGA    Q   135_A      Q   135_A     0.649     0    0.051   0.705     3.416   92.857   80.476
LGA    N   136_A      N   136_A     0.668     0    0.044   0.176     1.706   90.476   87.143
LGA    G   137_A      G   137_A     0.581     0    0.024   0.024     0.584   92.857   92.857
LGA    Y   138_A      Y   138_A     0.574     0    0.012   0.044     0.654   90.476   94.444
LGA    L   139_A      L   139_A     0.767     0    0.037   0.068     1.211   90.476   87.083
LGA    I   140_A      I   140_A     0.484     0    0.016   0.045     0.599   95.238   95.238
LGA    C   141_A      C   141_A     0.490     0    0.046   0.093     0.563   92.857   95.238
LGA    G   142_A      G   142_A     0.483     0    0.041   0.041     0.517   97.619   97.619
LGA    K   143_A      K   143_A     0.521     0    0.016   0.336     1.258   92.857   90.582
LGA    L   144_A      L   144_A     0.407     0    0.024   0.076     0.650   95.238   97.619
LGA    K   145_A      K   145_A     0.535     0    0.013   0.142     0.670   92.857   94.709
LGA    K   146_A      K   146_A     0.737     0    0.013   0.611     2.094   90.476   86.614
LGA    D   147_A      D   147_A     0.626     0    0.019   0.124     0.705   90.476   91.667
LGA    D   148_A      D   148_A     0.688     0    0.034   0.483     1.847   90.476   84.940
LGA    D   149_A      D   149_A     0.579     0    0.051   0.185     1.413   92.857   88.274
LGA    L   150_A      L   150_A     0.262     0    0.036   1.140     2.489  100.000   90.000
LGA    K   151_A      K   151_A     0.384     0    0.058   0.788     4.228  100.000   82.540
LGA    N   152_A      N   152_A     0.404     0    0.062   0.152     1.461  100.000   91.845
LGA    V   153_A      V   153_A     0.270     0    0.025   0.075     0.578  100.000   97.279
LGA    P   154_A      P   154_A     0.265     0    0.022   0.224     0.960  100.000   98.639
LGA    I   155_A      I   155_A     0.287     0    0.015   0.244     0.845  100.000   97.619
LGA    V   156_A      V   156_A     0.190     0    0.007   0.039     0.254  100.000  100.000
LGA    I   157_A      I   157_A     0.228     0    0.026   0.103     0.434  100.000  100.000
LGA    I   158_A      I   158_A     0.408     0    0.045   0.080     0.483  100.000  100.000
LGA    G   159_A      G   159_A     0.343     0    0.048   0.048     0.611   97.619   97.619
LGA    N   160_A      N   160_A     0.271     0    0.019   0.154     0.477  100.000  100.000
LGA    P   161_A      P   161_A     0.484     0    0.122   0.122     0.862  100.000   97.279
LGA    D   162_A      D   162_A     0.413     0    0.048   1.041     4.205   97.619   82.143
LGA    G   163_A      G   163_A     0.395     0    0.080   0.080     0.395  100.000  100.000
LGA    F   164_A      F   164_A     0.343     0    0.048   0.090     0.701  100.000   94.805
LGA    A   165_A      A   165_A     0.520     0    0.048   0.047     0.708   92.857   92.381
LGA    Q   166_A      Q   166_A     0.533     0    0.038   0.074     1.293   97.619   90.635
LGA    H   167_A      H   167_A     0.272     0    0.059   0.148     0.591  100.000   97.143
LGA    R   168_A      R   168_A     0.267     0    0.089   0.823     2.317   95.238   85.065
LGA    K   169_A      K   169_A     0.609     0    0.010   0.558     3.530   95.238   85.344
LGA    L   170_A      L   170_A     0.141     0    0.009   0.120     0.328  100.000  100.000
LGA    K   171_A      K   171_A     0.487     0    0.040   0.220     1.839  100.000   89.788
LGA    A   172_A      A   172_A     0.364     0    0.203   0.208     1.081   95.357   96.286
LGA    H   173_A      H   173_A     0.380     0    0.050   1.155     2.471  100.000   90.048
LGA    A   174_A      A   174_A     0.203     0    0.054   0.088     0.894   97.619   98.095
LGA    D   175_A      D   175_A     0.394     0    0.068   0.165     0.595   97.619   97.619
LGA    E   176_A      E   176_A     0.357     0    0.038   0.665     2.839  100.000   90.053
LGA    Y   177_A      Y   177_A     0.437     0    0.018   0.111     0.756   97.619   96.032
LGA    V   178_A      V   178_A     0.553     0    0.027   0.066     0.713   95.238   93.197
LGA    A   179_A      A   179_A     0.557     0    0.017   0.018     0.643   90.476   90.476
LGA    K   180_A      K   180_A     0.582     0    0.024   0.383     1.109   90.476   91.587
LGA    P   181_A      P   181_A     0.339     0    0.019   0.035     0.559  100.000   97.279
LGA    V   182_A      V   182_A     0.394     0    0.080   1.152     2.785  100.000   87.483
LGA    D   183_A      D   183_A     0.411     0    0.030   0.964     4.387   95.238   79.762
LGA    A   184_A      A   184_A     0.090     0    0.051   0.051     0.228  100.000  100.000
LGA    D   185_A      D   185_A     0.189     0    0.062   0.157     0.508  100.000   98.810
LGA    Q   186_A      Q   186_A     0.239     0    0.023   1.191     4.884  100.000   82.857
LGA    L   187_A      L   187_A     0.222     0    0.022   0.058     0.293  100.000  100.000
LGA    V   188_A      V   188_A     0.195     0    0.017   0.084     0.419  100.000  100.000
LGA    E   189_A      E   189_A     0.146     0    0.035   0.136     0.626  100.000   98.942
LGA    R   190_A      R   190_A     0.239     0    0.030   1.194     5.200  100.000   79.784
LGA    A   191_A      A   191_A     0.364     0    0.033   0.039     0.442  100.000  100.000
LGA    G   192_A      G   192_A     0.375     0    0.031   0.031     0.384  100.000  100.000
LGA    A   193_A      A   193_A     0.221     0    0.042   0.041     0.275  100.000  100.000
LGA    L   194_A      L   194_A     0.053     0    0.041   0.074     0.373  100.000  100.000
LGA    I   195_A      I   195_A     0.401     0    0.722   0.632     3.004   85.119   91.369
LGA    G   196_A      G   196_A     1.166     0    0.064   0.064     1.477   88.333   88.333
LGA    F   197_A      F   197_A     0.450     0    0.051   0.210     1.102   92.976   91.385
LGA    P   198_A      P   198_A     0.678     0    0.650   0.798     2.622   84.524   84.490
LGA    E   199_A      E   199_A     1.704     0    0.611   1.008     8.689   53.810   34.180

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     932    932  100.00               222
SUMMARY(RMSD_GDC):     0.434          0.558                  1.027           53.854   52.231

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  222    4.0    123    0.43    55.180    55.334    23.029

LGA_LOCAL      RMSD:   0.434  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.434  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   0.434  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.926813 * X  +   0.197900 * Y  +   0.319146 * Z  +  25.186733
  Y_new =   0.188249 * X  +  -0.490523 * Y  +   0.850852 * Z  +  41.223656
  Z_new =   0.324932 * X  +   0.848660 * Y  +   0.417368 * Z  +  32.719883 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.941204 -0.330939  1.113733   [DEG:  168.5186  -18.9614   63.8122 ]
ZXZ:  2.782743  1.140249  0.365658   [DEG:  159.4395   65.3315   20.9507 ]
 
# END of job
