
#######################################################
#                                                     #
#                        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       0.39     0.39
  LCS_AVERAGE:     55.41

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.39     0.39
  LCS_AVERAGE:     55.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.39     0.39
  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     39  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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     96  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     96  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    103  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    108  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    112  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    112  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    112  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    112  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    112  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    112  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     91  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    106  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    112  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    112  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    112  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    103  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    103  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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    112  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     74  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    112  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    112  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     11   51  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    112    121    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123 
GDT PERCENT_AT  50.45  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   0.34   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39
GDT RMS_ALL_AT   0.40   0.40   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39   0.39

# Checking swapping
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  Y   138_A      Y   138_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  E   176_A      E   176_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  F   197_A      F   197_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    77_A      S    77_A     1.016     0    0.091   0.541     1.754   83.690   81.508
LGA    K    78_A      K    78_A     0.432     0    0.093   0.605     3.433  100.000   81.693
LGA    K    79_A      K    79_A     0.251     0    0.018   0.712     3.667  100.000   79.471
LGA    I    80_A      I    80_A     0.029     0    0.026   0.072     0.197  100.000  100.000
LGA    L    81_A      L    81_A     0.137     0    0.000   0.085     0.213  100.000  100.000
LGA    I    82_A      I    82_A     0.151     0    0.009   0.084     0.257  100.000  100.000
LGA    V    83_A      V    83_A     0.145     0    0.018   0.039     0.279  100.000  100.000
LGA    E    84_A      E    84_A     0.107     0    0.031   0.119     0.822  100.000   95.767
LGA    S    85_A      S    85_A     0.152     0    0.033   0.627     2.672  100.000   92.857
LGA    D    86_A      D    86_A     0.232     0    0.025   0.040     0.450  100.000  100.000
LGA    T    87_A      T    87_A     0.317     0    0.069   0.165     0.458  100.000  100.000
LGA    A    88_A      A    88_A     0.427     0    0.054   0.057     0.607  100.000   98.095
LGA    L    89_A      L    89_A     0.344     0    0.027   0.061     0.376  100.000  100.000
LGA    S    90_A      S    90_A     0.284     0    0.023   0.049     0.346  100.000  100.000
LGA    A    91_A      A    91_A     0.402     0    0.010   0.016     0.551  100.000   98.095
LGA    T    92_A      T    92_A     0.433     0    0.045   0.097     0.647  100.000   97.279
LGA    L    93_A      L    93_A     0.236     0    0.021   0.160     0.919  100.000   98.810
LGA    R    94_A      R    94_A     0.180     0    0.027   1.245     5.167  100.000   78.528
LGA    S    95_A      S    95_A     0.275     0    0.044   0.660     2.959  100.000   92.857
LGA    A    96_A      A    96_A     0.211     0    0.018   0.024     0.240  100.000  100.000
LGA    L    97_A      L    97_A     0.175     0    0.000   0.056     0.263  100.000  100.000
LGA    E    98_A      E    98_A     0.130     0    0.018   0.130     0.693  100.000   97.884
LGA    G    99_A      G    99_A     0.460     0    0.078   0.078     1.062   92.976   92.976
LGA    R   100_A      R   100_A     0.639     0    0.022   1.369     5.885   90.476   69.048
LGA    G   101_A      G   101_A     0.654     0    0.033   0.033     0.654   92.857   92.857
LGA    F   102_A      F   102_A     0.176     0    0.041   0.069     0.298  100.000  100.000
LGA    T   103_A      T   103_A     0.168     0    0.025   0.043     0.417  100.000  100.000
LGA    V   104_A      V   104_A     0.118     0    0.024   0.067     0.303  100.000  100.000
LGA    D   105_A      D   105_A     0.421     0    0.178   0.230     1.649  100.000   91.905
LGA    E   106_A      E   106_A     0.323     0    0.020   0.141     0.756  100.000   96.825
LGA    T   107_A      T   107_A     0.136     0    0.000   1.039     2.462  100.000   89.932
LGA    T   108_A      T   108_A     0.356     0    0.050   0.197     0.891  100.000   95.918
LGA    D   109_A      D   109_A     0.139     0    0.029   0.053     0.453  100.000  100.000
LGA    G   110_A      G   110_A     0.280     0    0.052   0.052     0.344  100.000  100.000
LGA    K   111_A      K   111_A     0.417     0    0.033   0.772     2.869  100.000   84.339
LGA    G   112_A      G   112_A     0.319     0    0.046   0.046     0.319  100.000  100.000
LGA    S   113_A      S   113_A     0.169     0    0.020   0.653     2.066  100.000   94.127
LGA    V   114_A      V   114_A     0.334     0    0.025   0.034     0.501  100.000   98.639
LGA    E   115_A      E   115_A     0.364     0    0.024   0.925     4.097  100.000   80.899
LGA    Q   116_A      Q   116_A     0.318     0    0.000   0.277     0.985  100.000   98.942
LGA    I   117_A      I   117_A     0.238     0    0.017   0.051     0.337  100.000  100.000
LGA    R   118_A      R   118_A     0.340     0    0.029   1.034     4.055  100.000   90.087
LGA    R   119_A      R   119_A     0.450     0    0.028   1.126     4.958   97.619   73.506
LGA    D   120_A      D   120_A     0.439     0    0.000   0.172     0.836   97.619   97.619
LGA    R   121_A      R   121_A     0.473     0    0.009   1.179     5.361   97.619   69.177
LGA    P   122_A      P   122_A     0.337     0    0.007   0.035     0.355  100.000  100.000
LGA    D   123_A      D   123_A     0.248     0    0.000   0.217     0.970  100.000   98.810
LGA    L   124_A      L   124_A     0.188     0    0.011   0.714     1.623  100.000   93.214
LGA    V   125_A      V   125_A     0.121     0    0.014   0.041     0.155  100.000  100.000
LGA    V   126_A      V   126_A     0.161     0    0.025   0.027     0.186  100.000  100.000
LGA    L   127_A      L   127_A     0.154     0    0.022   0.061     0.251  100.000  100.000
LGA    A   128_A      A   128_A     0.324     0    0.017   0.024     0.342  100.000  100.000
LGA    V   129_A      V   129_A     0.432     0    0.034   0.056     0.509  100.000   98.639
LGA    D   130_A      D   130_A     0.494     0    0.055   0.989     3.855   95.238   76.905
LGA    L   131_A      L   131_A     0.170     0    0.007   0.194     0.686  100.000   98.810
LGA    S   132_A      S   132_A     0.241     0    0.013   0.039     0.298  100.000  100.000
LGA    A   133_A      A   133_A     0.492     0    0.018   0.028     0.602   95.238   96.190
LGA    G   134_A      G   134_A     0.497     0    0.031   0.031     0.497  100.000  100.000
LGA    Q   135_A      Q   135_A     0.398     0    0.015   0.288     1.041  100.000   93.704
LGA    N   136_A      N   136_A     0.356     0    0.038   0.052     0.815  100.000   95.238
LGA    G   137_A      G   137_A     0.341     0    0.032   0.032     0.402  100.000  100.000
LGA    Y   138_A      Y   138_A     0.338     0    0.005   0.163     0.756  100.000   96.032
LGA    L   139_A      L   139_A     0.382     0    0.029   0.065     0.625  100.000   97.619
LGA    I   140_A      I   140_A     0.325     0    0.023   0.066     0.481  100.000  100.000
LGA    C   141_A      C   141_A     0.273     0    0.034   0.069     0.339  100.000  100.000
LGA    G   142_A      G   142_A     0.428     0    0.070   0.070     0.428  100.000  100.000
LGA    K   143_A      K   143_A     0.400     0    0.025   0.340     1.667  100.000   92.910
LGA    L   144_A      L   144_A     0.083     0    0.020   0.096     0.233  100.000  100.000
LGA    K   145_A      K   145_A     0.091     0    0.030   0.122     0.505  100.000   97.884
LGA    K   146_A      K   146_A     0.216     0    0.048   0.586     2.476  100.000   93.069
LGA    D   147_A      D   147_A     0.206     0    0.038   0.130     0.632  100.000   98.810
LGA    D   148_A      D   148_A     0.396     0    0.012   0.712     2.151   97.619   90.893
LGA    D   149_A      D   149_A     0.557     0    0.035   0.374     1.436   92.857   89.405
LGA    L   150_A      L   150_A     0.149     0    0.040   1.082     2.323  100.000   90.000
LGA    K   151_A      K   151_A     0.210     0    0.000   1.081     3.932  100.000   86.825
LGA    N   152_A      N   152_A     0.200     0    0.087   0.073     1.106  100.000   94.107
LGA    V   153_A      V   153_A     0.138     0    0.000   0.031     0.581  100.000   98.639
LGA    P   154_A      P   154_A     0.065     0    0.030   0.235     0.859  100.000   98.639
LGA    I   155_A      I   155_A     0.164     0    0.015   0.211     0.610  100.000   98.810
LGA    V   156_A      V   156_A     0.238     0    0.017   0.036     0.309  100.000  100.000
LGA    I   157_A      I   157_A     0.265     0    0.011   0.569     1.737  100.000   96.607
LGA    I   158_A      I   158_A     0.259     0    0.032   0.073     0.389  100.000  100.000
LGA    G   159_A      G   159_A     0.199     0    0.047   0.047     0.199  100.000  100.000
LGA    N   160_A      N   160_A     0.226     0    0.037   0.157     0.380  100.000  100.000
LGA    P   161_A      P   161_A     0.321     0    0.070   0.062     0.395  100.000  100.000
LGA    D   162_A      D   162_A     0.574     0    0.028   1.021     4.318   95.238   76.131
LGA    G   163_A      G   163_A     0.314     0    0.028   0.028     0.411  100.000  100.000
LGA    F   164_A      F   164_A     0.065     0    0.026   0.084     0.273  100.000  100.000
LGA    A   165_A      A   165_A     0.201     0    0.000   0.007     0.293  100.000  100.000
LGA    Q   166_A      Q   166_A     0.234     0    0.027   0.682     3.060  100.000   84.550
LGA    H   167_A      H   167_A     0.080     0    0.000   0.195     0.867  100.000   96.190
LGA    R   168_A      R   168_A     0.350     0    0.017   1.167     3.249   97.619   86.926
LGA    K   169_A      K   169_A     0.657     0    0.082   0.549     3.270   95.238   84.127
LGA    L   170_A      L   170_A     0.444     0    0.014   0.058     0.567  100.000   98.810
LGA    K   171_A      K   171_A     0.386     0    0.010   0.158     1.269  100.000   93.757
LGA    A   172_A      A   172_A     0.459     0    0.297   0.295     1.292   95.357   94.381
LGA    H   173_A      H   173_A     0.401     0    0.048   1.132     2.298   95.238   87.381
LGA    A   174_A      A   174_A     0.200     0    0.022   0.022     0.251  100.000  100.000
LGA    D   175_A      D   175_A     0.220     0    0.046   0.154     0.514  100.000   98.810
LGA    E   176_A      E   176_A     0.197     0    0.042   0.501     2.111  100.000   90.106
LGA    Y   177_A      Y   177_A     0.185     0    0.047   0.051     0.418  100.000  100.000
LGA    V   178_A      V   178_A     0.149     0    0.023   0.035     0.262  100.000  100.000
LGA    A   179_A      A   179_A     0.142     0    0.031   0.032     0.203  100.000  100.000
LGA    K   180_A      K   180_A     0.193     0    0.029   0.381     1.102  100.000   96.878
LGA    P   181_A      P   181_A     0.594     0    0.058   0.059     0.726   90.476   90.476
LGA    V   182_A      V   182_A     0.356     0    0.037   1.124     2.657  100.000   88.844
LGA    D   183_A      D   183_A     0.302     0    0.028   0.621     3.034  100.000   82.798
LGA    A   184_A      A   184_A     0.320     0    0.031   0.033     0.614   97.619   98.095
LGA    D   185_A      D   185_A     0.602     0    0.016   0.515     1.367   92.857   89.405
LGA    Q   186_A      Q   186_A     0.558     0    0.000   1.434     5.553   90.476   69.365
LGA    L   187_A      L   187_A     0.374     0    0.013   0.039     0.442  100.000  100.000
LGA    V   188_A      V   188_A     0.384     0    0.007   0.118     0.616   97.619   97.279
LGA    E   189_A      E   189_A     0.405     0    0.017   0.866     3.667  100.000   82.910
LGA    R   190_A      R   190_A     0.435     0    0.004   1.815     7.769  100.000   64.805
LGA    A   191_A      A   191_A     0.322     0    0.025   0.021     0.380  100.000  100.000
LGA    G   192_A      G   192_A     0.076     0    0.060   0.060     0.251  100.000  100.000
LGA    A   193_A      A   193_A     0.355     0    0.069   0.076     0.696   97.619   98.095
LGA    L   194_A      L   194_A     0.361     0    0.036   0.118     0.809  100.000   97.619
LGA    I   195_A      I   195_A     0.230     0    0.739   0.654     2.888   86.905   92.262
LGA    G   196_A      G   196_A     1.089     0    0.012   0.012     1.509   88.571   88.571
LGA    F   197_A      F   197_A     0.447     0    0.028   0.162     0.660  100.000   99.134
LGA    P   198_A      P   198_A     0.499     0    0.638   0.594     2.606   86.905   89.796
LGA    E   199_A      E   199_A     1.876     0    0.500   1.278     7.236   54.524   39.735

# 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):     0.392          0.486                  1.192           54.487   51.976

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  222    4.0    123    0.39    55.180    55.334    25.000

LGA_LOCAL      RMSD:   0.392  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.392  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   0.392  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.664634 * X  +  -0.079117 * Y  +   0.742969 * Z  + -56.671185
  Y_new =  -0.262651 * X  +   0.906175 * Y  +   0.331454 * Z  +  -6.174176
  Z_new =  -0.699483 * X  +  -0.415437 * Y  +   0.581494 * Z  + 162.356216 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.376345  0.774674 -0.620345   [DEG:  -21.5630   44.3856  -35.5432 ]
ZXZ:  1.990420  0.950233 -2.106733   [DEG:  114.0427   54.4443 -120.7069 ]
 
# END of job
