
#######################################################
#                                                     #
#                        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       0.44     0.44
  LCS_AVERAGE:     55.41

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.44     0.44
  LCS_AVERAGE:     55.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      77_A - 199_A       0.44     0.44
  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     96  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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     98  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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     97  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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     85  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     61  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     96  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     80  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    100  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     93  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     63  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    100  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    100  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    100  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    100  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    100  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    100  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     93  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     93  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     93  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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     96  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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     63  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    100  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     89  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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    100  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     98  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     42  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     98  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     88  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     23  100  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    100    121    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123    123 
GDT PERCENT_AT  45.05  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    0.31   0.40   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44
GDT RMS_ALL_AT   0.45   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44   0.44

# 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     0.615     0    0.073   0.287     0.960   92.857   92.063
LGA    K    78_A      K    78_A     0.338     0    0.075   0.356     3.607  100.000   83.651
LGA    K    79_A      K    79_A     0.273     0    0.034   0.680     1.467  100.000   93.757
LGA    I    80_A      I    80_A     0.147     0    0.016   0.122     0.383  100.000  100.000
LGA    L    81_A      L    81_A     0.197     0    0.031   0.069     0.234  100.000  100.000
LGA    I    82_A      I    82_A     0.073     0    0.012   0.055     0.180  100.000  100.000
LGA    V    83_A      V    83_A     0.193     0    0.025   0.038     0.196  100.000  100.000
LGA    E    84_A      E    84_A     0.228     0    0.048   0.160     0.533  100.000   98.942
LGA    S    85_A      S    85_A     0.493     0    0.050   0.076     0.787  100.000   96.825
LGA    D    86_A      D    86_A     0.358     0    0.037   0.070     0.690  100.000   96.429
LGA    T    87_A      T    87_A     0.381     0    0.078   0.142     0.584   97.619   97.279
LGA    A    88_A      A    88_A     0.369     0    0.025   0.035     0.374  100.000  100.000
LGA    L    89_A      L    89_A     0.231     0    0.058   0.096     0.339  100.000  100.000
LGA    S    90_A      S    90_A     0.155     0    0.074   0.082     0.351  100.000  100.000
LGA    A    91_A      A    91_A     0.290     0    0.021   0.022     0.316  100.000  100.000
LGA    T    92_A      T    92_A     0.321     0    0.040   0.141     0.434  100.000  100.000
LGA    L    93_A      L    93_A     0.214     0    0.030   0.059     0.323  100.000  100.000
LGA    R    94_A      R    94_A     0.141     0    0.051   0.157     1.210  100.000   95.714
LGA    S    95_A      S    95_A     0.244     0    0.032   0.603     2.252  100.000   94.127
LGA    A    96_A      A    96_A     0.175     0    0.017   0.023     0.185  100.000  100.000
LGA    L    97_A      L    97_A     0.110     0    0.022   0.083     0.305  100.000  100.000
LGA    E    98_A      E    98_A     0.259     0    0.043   0.132     0.484  100.000  100.000
LGA    G    99_A      G    99_A     0.437     0    0.036   0.036     0.662   95.238   95.238
LGA    R   100_A      R   100_A     0.560     0    0.066   0.195     0.869   92.857   93.939
LGA    G   101_A      G   101_A     0.569     0    0.037   0.037     0.569   92.857   92.857
LGA    F   102_A      F   102_A     0.296     0    0.015   0.058     0.397  100.000  100.000
LGA    T   103_A      T   103_A     0.228     0    0.023   0.039     0.391  100.000  100.000
LGA    V   104_A      V   104_A     0.137     0    0.021   0.030     0.291  100.000  100.000
LGA    D   105_A      D   105_A     0.123     0    0.045   0.252     1.030  100.000   97.679
LGA    E   106_A      E   106_A     0.304     0    0.010   0.503     1.715  100.000   94.868
LGA    T   107_A      T   107_A     0.096     0    0.016   0.055     0.269  100.000  100.000
LGA    T   108_A      T   108_A     0.336     0    0.048   0.187     0.879  100.000   95.918
LGA    D   109_A      D   109_A     0.256     0    0.023   0.240     0.963  100.000   96.429
LGA    G   110_A      G   110_A     0.300     0    0.082   0.082     0.301  100.000  100.000
LGA    K   111_A      K   111_A     0.167     0    0.073   0.747     2.309  100.000   91.111
LGA    G   112_A      G   112_A     0.173     0    0.018   0.018     0.275  100.000  100.000
LGA    S   113_A      S   113_A     0.305     0    0.015   0.027     0.401  100.000  100.000
LGA    V   114_A      V   114_A     0.272     0    0.013   0.066     0.344  100.000  100.000
LGA    E   115_A      E   115_A     0.524     0    0.060   1.226     4.883   97.619   79.683
LGA    Q   116_A      Q   116_A     0.375     0    0.055   0.096     0.512  100.000   98.942
LGA    I   117_A      I   117_A     0.173     0    0.010   0.095     0.430  100.000  100.000
LGA    R   118_A      R   118_A     0.086     0    0.021   0.322     1.188  100.000   96.580
LGA    R   119_A      R   119_A     0.215     0    0.017   0.881     5.488  100.000   72.814
LGA    D   120_A      D   120_A     0.201     0    0.014   0.119     0.416  100.000  100.000
LGA    R   121_A      R   121_A     0.231     0    0.013   0.384     1.323  100.000   94.026
LGA    P   122_A      P   122_A     0.263     0    0.039   0.075     0.522  100.000   98.639
LGA    D   123_A      D   123_A     0.253     0    0.030   0.040     0.349  100.000  100.000
LGA    L   124_A      L   124_A     0.199     0    0.033   0.052     0.316  100.000  100.000
LGA    V   125_A      V   125_A     0.258     0    0.030   0.045     0.326  100.000  100.000
LGA    V   126_A      V   126_A     0.210     0    0.027   0.038     0.260  100.000  100.000
LGA    L   127_A      L   127_A     0.183     0    0.014   0.048     0.235  100.000  100.000
LGA    A   128_A      A   128_A     0.416     0    0.030   0.032     0.539  100.000   98.095
LGA    V   129_A      V   129_A     0.363     0    0.012   0.064     0.615   95.238   97.279
LGA    D   130_A      D   130_A     0.554     0    0.017   0.151     1.083   95.238   91.726
LGA    L   131_A      L   131_A     0.207     0    0.014   0.123     0.457  100.000  100.000
LGA    S   132_A      S   132_A     0.277     0    0.021   0.052     0.505   97.619   98.413
LGA    A   133_A      A   133_A     0.807     0    0.065   0.068     1.350   85.952   86.857
LGA    G   134_A      G   134_A     1.212     0    0.037   0.037     1.212   83.690   83.690
LGA    Q   135_A      Q   135_A     0.592     0    0.055   0.667     3.199   92.857   80.476
LGA    N   136_A      N   136_A     0.699     0    0.075   0.197     1.714   90.476   87.143
LGA    G   137_A      G   137_A     0.555     0    0.033   0.033     0.612   90.476   90.476
LGA    Y   138_A      Y   138_A     0.593     0    0.022   0.060     0.648   90.476   94.444
LGA    L   139_A      L   139_A     0.777     0    0.040   0.059     1.250   90.476   87.083
LGA    I   140_A      I   140_A     0.527     0    0.037   0.060     0.635   90.476   92.857
LGA    C   141_A      C   141_A     0.467     0    0.068   0.082     0.573   92.857   95.238
LGA    G   142_A      G   142_A     0.488     0    0.020   0.020     0.524   97.619   97.619
LGA    K   143_A      K   143_A     0.544     0    0.024   0.332     1.223   90.476   89.524
LGA    L   144_A      L   144_A     0.442     0    0.020   0.054     0.561   95.238   97.619
LGA    K   145_A      K   145_A     0.532     0    0.019   0.124     0.708   90.476   93.651
LGA    K   146_A      K   146_A     0.731     0    0.014   0.605     2.104   90.476   86.614
LGA    D   147_A      D   147_A     0.646     0    0.006   0.071     0.646   90.476   91.667
LGA    D   148_A      D   148_A     0.683     0    0.015   0.476     1.858   90.476   86.012
LGA    D   149_A      D   149_A     0.596     0    0.064   0.204     1.265   90.476   89.345
LGA    L   150_A      L   150_A     0.273     0    0.059   1.133     2.466  100.000   90.000
LGA    K   151_A      K   151_A     0.403     0    0.041   0.783     4.254  100.000   82.540
LGA    N   152_A      N   152_A     0.409     0    0.075   0.155     1.403  100.000   91.845
LGA    V   153_A      V   153_A     0.283     0    0.015   0.071     0.603  100.000   98.639
LGA    P   154_A      P   154_A     0.269     0    0.015   0.227     0.968  100.000   98.639
LGA    I   155_A      I   155_A     0.280     0    0.019   0.254     0.871  100.000   97.619
LGA    V   156_A      V   156_A     0.210     0    0.009   0.042     0.272  100.000  100.000
LGA    I   157_A      I   157_A     0.240     0    0.033   0.092     0.398  100.000  100.000
LGA    I   158_A      I   158_A     0.409     0    0.044   0.080     0.472  100.000  100.000
LGA    G   159_A      G   159_A     0.359     0    0.055   0.055     0.552   97.619   97.619
LGA    N   160_A      N   160_A     0.284     0    0.016   0.128     0.454  100.000  100.000
LGA    P   161_A      P   161_A     0.500     0    0.123   0.123     0.936   97.619   95.918
LGA    D   162_A      D   162_A     0.448     0    0.068   1.040     4.295   95.238   80.952
LGA    G   163_A      G   163_A     0.390     0    0.095   0.095     0.390  100.000  100.000
LGA    F   164_A      F   164_A     0.322     0    0.028   0.087     0.725  100.000   94.805
LGA    A   165_A      A   165_A     0.488     0    0.041   0.038     0.683   97.619   96.190
LGA    Q   166_A      Q   166_A     0.527     0    0.048   0.090     1.286   97.619   90.635
LGA    H   167_A      H   167_A     0.238     0    0.066   0.145     0.664  100.000   96.190
LGA    R   168_A      R   168_A     0.281     0    0.055   0.826     2.263   97.619   85.931
LGA    K   169_A      K   169_A     0.643     0    0.009   0.554     3.523   95.238   85.344
LGA    L   170_A      L   170_A     0.181     0    0.025   0.125     0.319  100.000  100.000
LGA    K   171_A      K   171_A     0.474     0    0.010   0.214     1.851   95.238   87.672
LGA    A   172_A      A   172_A     0.389     0    0.205   0.205     1.074   92.976   94.381
LGA    H   173_A      H   173_A     0.411     0    0.035   1.149     2.382  100.000   89.238
LGA    A   174_A      A   174_A     0.207     0    0.042   0.063     0.758   97.619   98.095
LGA    D   175_A      D   175_A     0.450     0    0.055   0.126     0.598   97.619   98.810
LGA    E   176_A      E   176_A     0.396     0    0.053   0.761     2.959  100.000   91.058
LGA    Y   177_A      Y   177_A     0.474     0    0.028   0.079     0.609   95.238   94.444
LGA    V   178_A      V   178_A     0.613     0    0.032   0.094     0.729   90.476   90.476
LGA    A   179_A      A   179_A     0.596     0    0.011   0.019     0.646   90.476   90.476
LGA    K   180_A      K   180_A     0.607     0    0.031   0.377     1.112   90.476   91.587
LGA    P   181_A      P   181_A     0.329     0    0.021   0.040     0.599  100.000   97.279
LGA    V   182_A      V   182_A     0.382     0    0.060   1.166     2.763  100.000   87.483
LGA    D   183_A      D   183_A     0.371     0    0.019   0.966     4.329   97.619   80.952
LGA    A   184_A      A   184_A     0.075     0    0.040   0.041     0.199  100.000  100.000
LGA    D   185_A      D   185_A     0.202     0    0.063   0.154     0.666  100.000   98.810
LGA    Q   186_A      Q   186_A     0.279     0    0.024   1.177     4.863  100.000   82.857
LGA    L   187_A      L   187_A     0.241     0    0.017   0.044     0.281  100.000  100.000
LGA    V   188_A      V   188_A     0.198     0    0.014   0.090     0.419  100.000  100.000
LGA    E   189_A      E   189_A     0.133     0    0.036   0.104     0.471  100.000  100.000
LGA    R   190_A      R   190_A     0.230     0    0.037   1.199     5.211  100.000   78.918
LGA    A   191_A      A   191_A     0.361     0    0.053   0.063     0.447  100.000  100.000
LGA    G   192_A      G   192_A     0.385     0    0.073   0.073     0.508   97.619   97.619
LGA    A   193_A      A   193_A     0.185     0    0.063   0.062     0.316  100.000  100.000
LGA    L   194_A      L   194_A     0.032     0    0.034   0.069     0.380  100.000  100.000
LGA    I   195_A      I   195_A     0.400     0    0.732   0.640     3.076   85.119   90.179
LGA    G   196_A      G   196_A     1.099     0    0.061   0.061     1.400   90.714   90.714
LGA    F   197_A      F   197_A     0.439     0    0.035   0.161     0.667   95.238   92.208
LGA    P   198_A      P   198_A     0.663     0    0.644   0.782     2.587   82.143   83.129
LGA    E   199_A      E   199_A     1.684     0    0.628   1.028     8.662   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):     0.438          0.548                  1.022           53.746   52.193

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  222    4.0    123    0.44    55.180    55.334    22.847

LGA_LOCAL      RMSD:   0.438  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.438  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   0.438  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.926791 * X  +   0.198262 * Y  +   0.318984 * Z  +  25.190975
  Y_new =   0.187853 * X  +  -0.490741 * Y  +   0.850814 * Z  +  41.227180
  Z_new =   0.325223 * X  +   0.848449 * Y  +   0.417571 * Z  +  32.716778 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.941610 -0.331247  1.113442   [DEG:  168.5418  -18.9791   63.7955 ]
ZXZ:  2.782895  1.140026  0.366040   [DEG:  159.4482   65.3187   20.9726 ]
 
# END of job
