
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      59_A - 187_A       1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      59_A - 187_A       1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      60_A - 180_A       1.00     1.22
  LONGEST_CONTINUOUS_SEGMENT:   118      61_A - 181_A       1.00     1.21
  LCS_AVERAGE:     92.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     R    59_A     R    59_A     74  126  126      0    3   35   78   87  112  121  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    60_A     R    60_A    118  126  126     15   67  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    61_A     V    61_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    62_A     K    62_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    63_A     L    63_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    64_A     R    64_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    65_A     K    65_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H    66_A     H    66_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    67_A     L    67_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    68_A     V    68_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    69_A     E    69_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    70_A     I    70_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    71_A     N    71_A    118  126  126     32   80  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    72_A     A    72_A    118  126  126     39   80  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    73_A     D    73_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    74_A     E    74_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_A     I    75_A    118  126  126     40   80  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    76_A     T    76_A    118  126  126     41   80  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_A     I    77_A    118  126  126     41   80  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    78_A     T    78_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    79_A     L    79_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    80_A     S    80_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    81_A     R    81_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    82_A     Y    82_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    83_A     T    83_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    84_A     S    84_A    118  126  126     18   60  104  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    85_A     P    85_A    118  126  126     18   58   92  118  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    86_A     E    86_A    118  126  126     18   43   83  111  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    87_A     A    87_A    118  126  126     18   57   92  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    88_A     L    88_A    118  126  126     41   75  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    89_A     E    89_A    118  126  126     37   66  104  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    90_A     R    90_A    118  126  126     18   60   99  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    91_A     S    91_A    118  126  126     31   75  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    92_A     I    92_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    93_A     T    93_A    118  126  126     41   82  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_A     A    94_A    118  126  126     17   75  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    95_A     L    95_A    118  126  126     34   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    96_A     A    96_A    118  126  126     34   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    97_A     A    97_A    118  126  126     13   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    98_A     M    98_A    118  126  126     13   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    99_A     T    99_A    118  126  126     18   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   100_A     G   100_A    118  126  126     34   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   101_A     H   101_A    118  126  126     38   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   102_A     A   102_A    118  126  126     21   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P   103_A     P   103_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   104_A     S   104_A    118  126  126     41   74  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   105_A     S   105_A    118  126  126     41   80  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   106_A     I   106_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   107_A     K   107_A    118  126  126     41   82  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   108_A     E   108_A    118  126  126     41   79  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   109_A     E   109_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     C   110_A     C   110_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   111_A     V   111_A    118  126  126     41   82  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_A     E   112_A    118  126  126     41   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   113_A     L   113_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   114_A     I   114_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   115_A     D   115_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_A     K   116_A    118  126  126     47   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   117_A     L   117_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_A     D   118_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   119_A     W   119_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   120_A     L   120_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   121_A     R   121_A    118  126  126     48   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   122_A     V   122_A    118  126  126     42   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   123_A     E   123_A    118  126  126     31   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N   124_A     N   124_A    118  126  126      5   46  112  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   125_A     D   125_A    118  126  126     41   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_A     V   126_A    118  126  126     44   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   127_A     I   127_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   128_A     Q   128_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   129_A     Y   129_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P   130_A     P   130_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   131_A     T   131_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_A     L   132_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   133_A     S   133_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   134_A     K   134_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   135_A     L   135_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   136_A     L   136_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   137_A     E   137_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   138_A     L   138_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   139_A     Y   139_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N   140_A     N   140_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   141_A     S   141_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   142_A     Q   142_A    118  126  126     36   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N   143_A     N   143_A    118  126  126     12   85  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   147_A     H   147_A    118  126  126     44   79  110  118  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   148_A     L   148_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   149_A     S   149_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   150_A     I   150_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   151_A     E   151_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   152_A     K   152_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   153_A     L   153_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   154_A     I   154_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   155_A     A   155_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   156_A     G   156_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   157_A     L   157_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   158_A     A   158_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   159_A     V   159_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   160_A     R   160_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   161_A     R   161_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   162_A     K   162_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   163_A     V   163_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     C   164_A     C   164_A    118  126  126     19   85  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   165_A     K   165_A    118  126  126     19   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   166_A     L   166_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   167_A     V   167_A    118  126  126     29   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   168_A     Q   168_A    118  126  126     24   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   169_A     D   169_A    118  126  126     19   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   170_A     G   170_A    118  126  126     24   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   171_A     H   171_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   172_A     I   172_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   173_A     D   173_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   174_A     E   174_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   175_A     T   175_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   176_A     V   176_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   177_A     Y   177_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   178_A     R   178_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   179_A     A   179_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   180_A     L   180_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   181_A     D   181_A    118  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   182_A     E   182_A     97  126  126     49   84  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M   183_A     M   183_A     97  126  126     49   86  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   184_A     A   184_A     97  126  126     36   79  113  119  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   185_A     A   185_A     97  126  126     44   75   98  118  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   186_A     G   186_A     97  126  126     14   71   94  118  123  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A   187_A     A   187_A     89  126  126      0    3    3    5   80   93  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  97.51  (  92.53  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     49     86    113    119    123    124    125    125    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  38.89  68.25  89.68  94.44  97.62  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.67   0.86   0.95   1.02   1.05   1.12   1.12   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21
GDT RMS_ALL_AT   1.86   1.32   1.22   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A     5.203     6    0.566   0.579     6.122   37.619   15.628
LGA    R    60_A      R    60_A     1.422     6    0.564   0.516     4.225   81.548   33.030
LGA    V    61_A      V    61_A     0.330     0    0.061   0.072     0.505   97.619   98.639
LGA    K    62_A      K    62_A     0.724     0    0.076   0.318     2.330   90.476   83.651
LGA    L    63_A      L    63_A     0.720     0    0.032   1.241     2.642   90.476   81.012
LGA    R    64_A      R    64_A     0.693     6    0.060   0.083     0.705   92.857   41.991
LGA    K    65_A      K    65_A     0.631     0    0.040   0.314     0.949   90.476   92.593
LGA    H    66_A      H    66_A     0.565     0    0.053   0.072     0.834   95.238   92.381
LGA    L    67_A      L    67_A     0.502     0    0.033   0.089     0.868   95.238   92.857
LGA    V    68_A      V    68_A     0.339     0    0.049   0.063     0.475  100.000  100.000
LGA    E    69_A      E    69_A     0.802     0    0.104   0.468     3.450   90.476   80.159
LGA    I    70_A      I    70_A     0.770     0    0.044   0.230     0.931   90.476   92.857
LGA    N    71_A      N    71_A     1.015     0    0.017   0.359     1.786   85.952   84.881
LGA    A    72_A      A    72_A     0.932     0    0.068   0.098     1.294   88.214   86.857
LGA    D    73_A      D    73_A     0.521     0    0.124   0.226     1.158   88.214   92.917
LGA    E    74_A      E    74_A     0.688     0    0.076   0.986     2.846   92.857   85.820
LGA    I    75_A      I    75_A     1.069     0    0.094   1.232     3.413   88.214   79.821
LGA    T    76_A      T    76_A     0.934     0    0.029   0.118     1.191   85.952   86.599
LGA    I    77_A      I    77_A     0.921     0    0.034   0.446     1.693   90.476   87.143
LGA    T    78_A      T    78_A     0.680     0    0.016   0.081     0.833   92.857   91.837
LGA    L    79_A      L    79_A     0.389     0    0.018   0.114     0.791  100.000   97.619
LGA    S    80_A      S    80_A     0.280     0    0.055   0.086     0.402  100.000  100.000
LGA    R    81_A      R    81_A     0.199     0    0.051   1.193     3.539  100.000   85.368
LGA    Y    82_A      Y    82_A     0.391     0    0.064   0.096     0.876   95.238   96.825
LGA    T    83_A      T    83_A     0.915     0    0.051   0.102     1.190   85.952   87.891
LGA    S    84_A      S    84_A     2.003     0    0.019   0.044     2.459   70.833   68.810
LGA    P    85_A      P    85_A     2.382     0    0.055   0.089     2.940   64.762   61.497
LGA    E    86_A      E    86_A     2.871     0    0.044   1.323     8.412   57.143   35.767
LGA    A    87_A      A    87_A     2.159     0    0.052   0.063     2.364   68.810   68.000
LGA    L    88_A      L    88_A     1.268     0    0.056   0.126     1.687   79.286   82.619
LGA    E    89_A      E    89_A     1.901     0    0.030   1.026     6.414   72.857   52.116
LGA    R    90_A      R    90_A     2.134     0    0.022   1.273     7.030   68.810   51.991
LGA    S    91_A      S    91_A     1.158     0    0.034   0.042     1.489   85.952   85.952
LGA    I    92_A      I    92_A     0.644     0    0.078   0.152     1.322   90.476   88.214
LGA    T    93_A      T    93_A     0.957     0    0.021   0.065     1.877   90.476   82.925
LGA    A    94_A      A    94_A     1.199     0    0.049   0.047     1.402   83.690   83.238
LGA    L    95_A      L    95_A     0.754     0    0.041   0.134     1.008   90.476   89.345
LGA    A    96_A      A    96_A     0.799     0    0.039   0.067     1.052   88.214   88.667
LGA    A    97_A      A    97_A     1.028     0    0.138   0.170     1.605   81.548   81.524
LGA    M    98_A      M    98_A     1.035     0    0.016   0.154     1.411   83.690   84.821
LGA    T    99_A      T    99_A     1.067     0    0.068   0.091     1.241   81.429   81.429
LGA    G   100_A      G   100_A     0.721     0    0.077   0.077     0.820   90.476   90.476
LGA    H   101_A      H   101_A     0.659     5    0.012   0.020     0.944   95.238   47.143
LGA    A   102_A      A   102_A     0.915     0    0.053   0.099     1.284   90.476   88.667
LGA    P   103_A      P   103_A     1.034     0    0.049   0.058     1.361   83.690   84.014
LGA    S   104_A      S   104_A     1.468     0    0.016   0.202     2.029   81.429   77.222
LGA    S   105_A      S   105_A     1.168     0    0.055   0.550     1.696   83.690   81.508
LGA    I   106_A      I   106_A     0.805     0    0.030   0.714     1.934   90.476   88.274
LGA    K   107_A      K   107_A     1.118     0    0.031   0.341     1.670   83.690   82.487
LGA    E   108_A      E   108_A     1.196     3    0.069   0.713     3.445   81.429   50.794
LGA    E   109_A      E   109_A     0.813     0    0.038   0.605     2.104   90.476   80.847
LGA    C   110_A      C   110_A     0.742     0    0.036   0.041     0.812   90.476   90.476
LGA    V   111_A      V   111_A     1.047     0    0.025   0.063     1.428   88.214   85.306
LGA    E   112_A      E   112_A     0.907     0    0.008   0.471     2.204   90.476   83.598
LGA    L   113_A      L   113_A     0.512     0    0.023   0.134     0.617   95.238   95.238
LGA    I   114_A      I   114_A     0.397     0    0.049   0.100     0.619  100.000   97.619
LGA    D   115_A      D   115_A     0.439     0    0.020   0.753     3.869  100.000   81.012
LGA    K   116_A      K   116_A     0.397     2    0.051   0.078     0.624  100.000   75.661
LGA    L   117_A      L   117_A     0.261     0    0.095   0.123     0.385  100.000  100.000
LGA    D   118_A      D   118_A     0.654     0    0.087   0.645     3.230   90.476   78.036
LGA    W   119_A      W   119_A     0.736     0    0.046   0.139     0.786   90.476   92.517
LGA    L   120_A      L   120_A     0.614     0    0.088   0.114     0.780   92.857   91.667
LGA    R   121_A      R   121_A     0.589     0    0.030   0.962     3.195   90.476   83.550
LGA    V   122_A      V   122_A     0.940     0    0.208   0.231     1.865   92.857   86.735
LGA    E   123_A      E   123_A     0.860     4    0.041   0.070     1.103   85.952   47.249
LGA    N   124_A      N   124_A     1.540     0    0.062   0.094     3.396   81.548   68.512
LGA    D   125_A      D   125_A     0.175     0    0.069   0.774     2.950  100.000   86.845
LGA    V   126_A      V   126_A     0.163     0    0.034   0.069     0.470  100.000  100.000
LGA    I   127_A      I   127_A     0.297     0    0.035   0.108     0.494  100.000  100.000
LGA    Q   128_A      Q   128_A     0.747     0    0.037   1.022     2.835   90.476   85.767
LGA    Y   129_A      Y   129_A     0.762     0    0.013   0.223     2.942   90.476   78.214
LGA    P   130_A      P   130_A     0.797     0    0.028   0.049     0.882   90.476   90.476
LGA    T   131_A      T   131_A     0.566     0    0.036   0.085     0.680   90.476   91.837
LGA    L   132_A      L   132_A     0.578     0    0.020   0.084     0.636   90.476   94.048
LGA    S   133_A      S   133_A     0.855     0    0.068   0.585     1.278   90.476   87.460
LGA    K   134_A      K   134_A     0.666     4    0.052   0.052     0.706   90.476   50.265
LGA    L   135_A      L   135_A     0.626     0    0.013   0.153     0.716   90.476   94.048
LGA    L   136_A      L   136_A     0.821     0    0.036   0.274     0.931   90.476   91.667
LGA    E   137_A      E   137_A     0.959     4    0.035   0.037     1.117   88.214   48.254
LGA    L   138_A      L   138_A     0.727     3    0.009   0.012     0.808   90.476   56.548
LGA    Y   139_A      Y   139_A     0.813     0    0.023   0.110     1.566   90.476   85.992
LGA    N   140_A      N   140_A     1.065     0    0.033   0.083     1.432   83.690   82.560
LGA    S   141_A      S   141_A     1.150     0    0.140   0.197     1.206   83.690   82.937
LGA    Q   142_A      Q   142_A     1.330     4    0.143   0.138     1.569   79.286   44.286
LGA    N   143_A      N   143_A     1.316     3    0.043   0.067     1.388   81.429   50.893
LGA    H   147_A      H   147_A     1.942     0    0.087   1.172     3.635   70.833   65.190
LGA    L   148_A      L   148_A     1.128     0    0.038   0.083     1.350   81.429   81.429
LGA    S   149_A      S   149_A     1.358     0    0.018   0.051     1.572   81.429   78.571
LGA    I   150_A      I   150_A     1.021     0    0.014   0.498     2.176   83.690   80.476
LGA    E   151_A      E   151_A     1.159     0    0.032   0.064     1.613   83.690   80.529
LGA    K   152_A      K   152_A     1.083     0    0.060   0.700     2.444   85.952   80.741
LGA    L   153_A      L   153_A     0.809     0    0.034   0.106     0.985   92.857   91.667
LGA    I   154_A      I   154_A     0.500     0    0.014   0.080     0.707   95.238   92.857
LGA    A   155_A      A   155_A     0.649     0    0.038   0.048     0.729   90.476   90.476
LGA    G   156_A      G   156_A     0.527     0    0.035   0.035     0.533   95.238   95.238
LGA    L   157_A      L   157_A     0.341     0    0.063   0.109     0.444  100.000  100.000
LGA    A   158_A      A   158_A     0.422     0    0.107   0.116     0.533   97.619   96.190
LGA    V   159_A      V   159_A     0.942     0    0.212   0.245     1.248   88.214   86.599
LGA    R   160_A      R   160_A     1.050     0    0.074   0.971     2.609   83.690   78.528
LGA    R   161_A      R   161_A     1.137     0    0.079   1.040     6.816   83.690   60.260
LGA    K   162_A      K   162_A     1.151     0    0.078   0.525     2.528   81.429   74.074
LGA    V   163_A      V   163_A     0.975     0    0.015   0.065     1.154   88.214   87.891
LGA    C   164_A      C   164_A     1.154     0    0.015   0.660     1.443   81.429   81.429
LGA    K   165_A      K   165_A     1.138     0    0.027   0.548     3.084   81.429   76.032
LGA    L   166_A      L   166_A     0.916     0    0.045   0.154     1.038   88.214   89.345
LGA    V   167_A      V   167_A     0.776     0    0.020   0.028     0.822   90.476   90.476
LGA    Q   168_A      Q   168_A     0.826     0    0.006   1.123     4.694   90.476   77.354
LGA    D   169_A      D   169_A     1.098     0    0.025   0.150     1.577   81.429   81.488
LGA    G   170_A      G   170_A     0.817     0    0.044   0.044     0.872   90.476   90.476
LGA    H   171_A      H   171_A     0.743     0    0.090   1.113     2.957   90.476   81.000
LGA    I   172_A      I   172_A     0.427     0    0.041   0.116     0.549   97.619   97.619
LGA    D   173_A      D   173_A     0.703     0    0.048   0.164     1.721   90.476   86.012
LGA    E   174_A      E   174_A     1.105     4    0.014   0.026     1.299   83.690   46.243
LGA    T   175_A      T   175_A     1.075     0    0.014   0.276     1.657   85.952   84.082
LGA    V   176_A      V   176_A     0.549     0    0.018   0.104     0.764   90.476   91.837
LGA    Y   177_A      Y   177_A     0.833     7    0.012   0.022     0.995   90.476   37.698
LGA    R   178_A      R   178_A     1.194     0    0.032   0.716     4.895   81.429   66.320
LGA    A   179_A      A   179_A     0.802     0    0.049   0.052     0.893   90.476   90.476
LGA    L   180_A      L   180_A     0.721     0    0.020   0.092     1.052   88.214   91.726
LGA    D   181_A      D   181_A     1.277     0    0.035   0.437     2.242   79.286   76.131
LGA    E   182_A      E   182_A     1.507     0    0.038   0.252     2.088   77.143   74.815
LGA    M   183_A      M   183_A     1.188     0    0.051   0.068     1.730   79.286   87.262
LGA    A   184_A      A   184_A     1.680     0    0.062   0.088     2.236   72.976   74.667
LGA    A   185_A      A   185_A     2.267     0    0.104   0.133     2.949   62.857   63.238
LGA    G   186_A      G   186_A     2.390     0    0.609   0.609     2.639   69.286   69.286
LGA    A   187_A      A   187_A     4.570     0    0.067   0.110     6.563   44.405   38.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):     1.209          1.160                  1.533           86.815   79.761

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0    125    1.12    90.476    95.993    10.211

LGA_LOCAL      RMSD:   1.124  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.212  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.209  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.978261 * X  +  -0.195671 * Y  +  -0.068691 * Z  + -17.869247
  Y_new =   0.098054 * X  +  -0.144566 * Y  +  -0.984625 * Z  +  17.945633
  Z_new =   0.182733 * X  +  -0.969955 * Y  +   0.160609 * Z  +  16.120584 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.041694 -0.183765 -1.406701   [DEG:  174.2762  -10.5290  -80.5980 ]
ZXZ: -0.069651  1.409488  2.955382   [DEG:   -3.9907   80.7577  169.3309 ]
 
# END of job
