
#######################################################
#                                                     #
#                        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  119 (  923),  selected  119 , name one
# Molecule2: number of CA atoms  176 ( 1334),  selected  119 , 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:   119      42_A - 160_A       2.50     2.50
  LCS_AVERAGE:     67.61

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      49_A - 147_A       1.99     2.57
  LONGEST_CONTINUOUS_SEGMENT:    99      50_A - 148_A       1.99     2.58
  LCS_AVERAGE:     51.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      52_A - 85_A        0.99     2.80
  LCS_AVERAGE:     10.95

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  119
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     Q    42_A     Q    42_A      4   94  119      3   16   47   76   92   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     P    43_A     P    43_A      4   94  119      3    4    4    5    9   59   86  103  109  114  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    44_A     G    44_A      4   94  119      3    4    5    5   17   45   96  106  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     N    45_A     N    45_A      5   94  119      7   34   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     R    46_A     R    46_A      5   94  119      4    5    8   24   63   97  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     H    47_A     H    47_A      5   94  119      4    5   22   79   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y    48_A     Y    48_A     12   94  119      4   23   51   80   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K    49_A     K    49_A     12   99  119      4   23   51   82   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y    50_A     Y    50_A     12   99  119      4    8   22   63   90   98  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q    51_A     Q    51_A     32   99  119      6   31   59   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     C    52_A     C    52_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     T    53_A     T    53_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     W    54_A     W    54_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y    55_A     Y    55_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A    56_A     A    56_A     34   99  119     15   46   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y    57_A     Y    57_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     N    58_A     N    58_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     R    59_A     R    59_A     34   99  119     14   37   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     R    60_A     R    60_A     34   99  119      7   31   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    61_A     G    61_A     34   99  119     11   35   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q    62_A     Q    62_A     34   99  119      9   25   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     L    63_A     L    63_A     34   99  119      6   15   47   81   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    64_A     G    64_A     34   99  119      9   31   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I    65_A     I    65_A     34   99  119      9   32   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     P    66_A     P    66_A     34   99  119      4   20   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V    67_A     V    67_A     34   99  119      5   28   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     P    68_A     P    68_A     34   99  119      8   34   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     L    69_A     L    69_A     34   99  119      4   30   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     W    70_A     W    70_A     34   99  119      5   46   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    71_A     G    71_A     34   99  119     14   37   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     D    72_A     D    72_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A    73_A     A    73_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A    74_A     A    74_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     D    75_A     D    75_A     34   99  119     11   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     W    76_A     W    76_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I    77_A     I    77_A     34   99  119     15   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    78_A     G    78_A     34   99  119      7   29   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    79_A     G    79_A     34   99  119      6   47   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A    80_A     A    80_A     34   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K    81_A     K    81_A     34   99  119     14   29   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    82_A     G    82_A     34   99  119      5   16   56   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A    83_A     A    83_A     34   99  119     20   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    84_A     G    84_A     34   99  119     15   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y    85_A     Y    85_A     34   99  119     13   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    86_A     G    86_A     22   99  119      4   33   64   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V    87_A     V    87_A     22   99  119      9   37   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    88_A     G    88_A     22   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     R    89_A     R    89_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     T    90_A     T    90_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     P    91_A     P    91_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K    92_A     K    92_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q    93_A     Q    93_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G    94_A     G    94_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A    95_A     A    95_A     22   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     C    96_A     C    96_A     22   99  119     15   45   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V    97_A     V    97_A     22   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I    98_A     I    98_A     22   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     W    99_A     W    99_A     22   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q   100_A     Q   100_A     22   99  119     12   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     R   101_A     R   101_A     22   99  119     17   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   102_A     G   102_A     22   99  119     11   36   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V   103_A     V   103_A     22   99  119     10   44   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q   104_A     Q   104_A     22   99  119     14   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   105_A     G   105_A      9   99  119      3    4   15   23   52   79  101  107  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   106_A     G   106_A     16   99  119      7   18   49   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     S   107_A     S   107_A     16   99  119      7   29   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     P   108_A     P   108_A     16   99  119      7   41   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q   109_A     Q   109_A     16   99  119     15   41   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y   110_A     Y   110_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   111_A     G   111_A     16   99  119     21   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     H   112_A     H   112_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V   113_A     V   113_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A   114_A     A   114_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     F   115_A     F   115_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V   116_A     V   116_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     E   117_A     E   117_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K   118_A     K   118_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     V   119_A     V   119_A     16   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     L   120_A     L   120_A     16   99  119     20   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     D   121_A     D   121_A     16   99  119      5   31   58   76   92   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   122_A     G   122_A      5   99  119      3    7   52   82   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   123_A     G   123_A      8   99  119      3   21   52   83   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K   124_A     K   124_A      9   99  119     14   29   55   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K   125_A     K   125_A      9   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I   126_A     I   126_A      9   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     F   127_A     F   127_A      9   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I   128_A     I   128_A      9   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     S   129_A     S   129_A      9   99  119     16   41   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     E   130_A     E   130_A      9   99  119      5   24   51   81   92   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     H   131_A     H   131_A      9   99  119      5   14   24   43   79   95  100  107  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     N   132_A     N   132_A      9   99  119      5   14   29   61   83   95  100  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y   133_A     Y   133_A      8   99  119      3    7   13   33   84   97  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A   134_A     A   134_A      7   99  119      3   10   14   51   92   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     T   135_A     T   135_A      6   99  119      3   17   33   48   83   97  101  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     P   136_A     P   136_A      6   99  119      3   15   24   50   66   92  100  107  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     N   137_A     N   137_A     11   99  119      3    9   14   26   46   54   78   99  104  108  114  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   138_A     G   138_A     11   99  119      3    7   26   49   66   92   98  107  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y   139_A     Y   139_A     11   99  119      8   19   42   61   81   94  101  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     G   140_A     G   140_A     11   99  119      8   32   53   75   92   99  102  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     T   141_A     T   141_A     11   99  119     16   41   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     R   142_A     R   142_A     11   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     T   143_A     T   143_A     11   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I   144_A     I   144_A     11   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     D   145_A     D   145_A     11   99  119     18   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     M   146_A     M   146_A     11   99  119      4   15   52   83   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     S   147_A     S   147_A     11   99  119     24   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     S   148_A     S   148_A      9   99  119      4    7    9   14   74   99  102  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A   149_A     A   149_A      4   14  119      4    4    4    5    7    8   17   20   71  102  111  114  117  119  119  119  119  119  119  119 
LCS_GDT     I   150_A     I   150_A      4   11  119      4    4    4    4    8   17   24   30   55   92   99  113  117  119  119  119  119  119  119  119 
LCS_GDT     G   151_A     G   151_A     10   11  119      4   11   13   15   45   74  100  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K   152_A     K   152_A     10   11  119      4   11   13   41   79   95  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     N   153_A     N   153_A     10   11  119      5   28   64   83   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     A   154_A     A   154_A     10   11  119     10   37   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Q   155_A     Q   155_A     10   11  119     13   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     F   156_A     F   156_A     10   11  119     13   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     I   157_A     I   157_A     10   11  119      8   48   65   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     Y   158_A     Y   158_A     10   11  119      9   22   62   84   93   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     D   159_A     D   159_A     10   11  119      3   11   33   55   90   99  103  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_GDT     K   160_A     K   160_A     10   11  119      3   11   26   46   71   88  102  108  113  115  116  116  117  119  119  119  119  119  119  119 
LCS_AVERAGE  LCS_A:  43.21  (  10.95   51.06   67.61 )

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     24     48     65     84     93     99    103    108    113    115    116    116    117    119    119    119    119    119    119    119 
GDT PERCENT_AT  13.64  27.27  36.93  47.73  52.84  56.25  58.52  61.36  64.20  65.34  65.91  65.91  66.48  67.61  67.61  67.61  67.61  67.61  67.61  67.61
GDT RMS_LOCAL    0.31   0.73   0.95   1.22   1.38   1.52   1.68   1.84   2.05   2.12   2.19   2.19   2.32   2.50   2.50   2.50   2.50   2.50   2.50   2.50
GDT RMS_ALL_AT   2.85   2.66   2.58   2.54   2.54   2.54   2.54   2.51   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50

# Checking swapping
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  D    72_A      D    72_A
#   possible swapping detected:  Y   110_A      Y   110_A
#   possible swapping detected:  F   127_A      F   127_A
#   possible swapping detected:  E   130_A      E   130_A
#   possible swapping detected:  Y   133_A      Y   133_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  D   145_A      D   145_A
#   possible swapping detected:  F   156_A      F   156_A
#   possible swapping detected:  Y   158_A      Y   158_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    42_A      Q    42_A     3.135     0    0.090   0.943     6.032   42.143   44.497
LGA    P    43_A      P    43_A     6.346     0    0.196   0.203     7.581   17.619   16.259
LGA    G    44_A      G    44_A     5.045     0    0.565   0.565     5.045   31.786   31.786
LGA    N    45_A      N    45_A     1.265     0    0.446   1.217     5.323   72.976   64.464
LGA    R    46_A      R    46_A     3.865     0    0.108   1.222     6.196   48.452   37.619
LGA    H    47_A      H    47_A     2.916     0    0.133   1.026     6.547   55.357   37.429
LGA    Y    48_A      Y    48_A     2.561     0    0.113   1.183    11.260   62.857   31.389
LGA    K    49_A      K    49_A     2.419     0    0.654   1.030     5.380   69.048   49.259
LGA    Y    50_A      Y    50_A     3.809     0    0.234   1.412     9.943   43.452   23.452
LGA    Q    51_A      Q    51_A     1.996     0    0.061   1.119     7.734   75.119   51.376
LGA    C    52_A      C    52_A     0.479     0    0.058   0.118     0.928   97.619   98.413
LGA    T    53_A      T    53_A     0.079     0    0.040   0.053     0.480  100.000  100.000
LGA    W    54_A      W    54_A     0.305     0    0.032   1.517     6.917  100.000   69.694
LGA    Y    55_A      Y    55_A     0.350     0    0.058   1.517     9.637  100.000   57.698
LGA    A    56_A      A    56_A     0.721     0    0.026   0.064     1.037   90.476   88.667
LGA    Y    57_A      Y    57_A     0.550     0    0.035   1.382     8.291   95.238   59.524
LGA    N    58_A      N    58_A     0.294     0    0.058   0.585     2.138   97.619   88.690
LGA    R    59_A      R    59_A     0.920     0    0.106   1.239     4.693   83.810   64.113
LGA    R    60_A      R    60_A     1.682     0    0.051   1.092     5.365   75.000   62.554
LGA    G    61_A      G    61_A     0.906     0    0.040   0.040     1.074   83.690   83.690
LGA    Q    62_A      Q    62_A     1.574     0    0.110   1.156     4.981   75.000   62.381
LGA    L    63_A      L    63_A     2.209     0    0.092   0.238     4.074   70.833   58.869
LGA    G    64_A      G    64_A     1.280     0    0.035   0.035     1.564   79.286   79.286
LGA    I    65_A      I    65_A     1.365     0    0.151   0.252     2.010   79.286   75.060
LGA    P    66_A      P    66_A     1.717     0    0.105   0.232     2.071   72.976   75.374
LGA    V    67_A      V    67_A     1.651     0    0.040   1.255     3.261   77.143   69.796
LGA    P    68_A      P    68_A     1.317     0    0.066   0.324     1.847   81.429   81.497
LGA    L    69_A      L    69_A     1.528     0    0.054   0.891     4.363   79.286   65.060
LGA    W    70_A      W    70_A     1.581     0    0.641   1.217     7.224   63.929   55.442
LGA    G    71_A      G    71_A     1.071     0    0.331   0.331     2.398   79.524   79.524
LGA    D    72_A      D    72_A     0.864     0    0.091   0.866     2.866   90.476   81.845
LGA    A    73_A      A    73_A     0.531     0    0.034   0.037     0.685   90.476   90.476
LGA    A    74_A      A    74_A     0.975     0    0.050   0.056     1.307   85.952   85.048
LGA    D    75_A      D    75_A     1.284     0    0.093   0.578     3.090   83.690   77.560
LGA    W    76_A      W    76_A     0.752     0    0.047   0.144     0.942   90.476   91.837
LGA    I    77_A      I    77_A     0.852     0    0.053   1.063     2.328   85.952   79.464
LGA    G    78_A      G    78_A     1.928     0    0.015   0.015     1.978   75.000   75.000
LGA    G    79_A      G    79_A     1.837     0    0.030   0.030     1.837   75.000   75.000
LGA    A    80_A      A    80_A     0.816     0    0.017   0.021     1.191   90.476   88.667
LGA    K    81_A      K    81_A     1.836     0    0.042   1.112     2.880   72.976   66.772
LGA    G    82_A      G    82_A     2.540     0    0.015   0.015     2.768   60.952   60.952
LGA    A    83_A      A    83_A     1.901     0    0.165   0.160     2.172   77.143   74.667
LGA    G    84_A      G    84_A     0.451     0    0.025   0.025     0.941   95.238   95.238
LGA    Y    85_A      Y    85_A     0.549     0    0.058   0.581     2.153   92.857   83.968
LGA    G    86_A      G    86_A     1.524     0    0.136   0.136     1.524   79.286   79.286
LGA    V    87_A      V    87_A     1.109     0    0.092   0.179     1.639   85.952   81.565
LGA    G    88_A      G    88_A     0.547     0    0.038   0.038     0.566   92.857   92.857
LGA    R    89_A      R    89_A     0.848     0    0.043   1.263     6.127   90.476   70.476
LGA    T    90_A      T    90_A     0.858     0    0.036   0.067     1.074   88.214   89.184
LGA    P    91_A      P    91_A     1.121     0    0.110   0.354     1.818   81.548   81.565
LGA    K    92_A      K    92_A     1.184     0    0.035   0.936     5.841   85.952   65.503
LGA    Q    93_A      Q    93_A     1.132     0    0.033   0.279     2.222   81.429   78.624
LGA    G    94_A      G    94_A     1.442     0    0.312   0.312     2.788   73.214   73.214
LGA    A    95_A      A    95_A     1.168     0    0.040   0.046     1.422   81.429   81.429
LGA    C    96_A      C    96_A     1.649     0    0.056   0.769     2.295   81.548   77.302
LGA    V    97_A      V    97_A     0.344     0    0.056   1.137     2.385   97.619   87.211
LGA    I    98_A      I    98_A     0.582     0    0.065   1.148     4.227   90.595   74.643
LGA    W    99_A      W    99_A     0.675     0    0.079   1.100     4.992   90.476   73.571
LGA    Q   100_A      Q   100_A     1.132     0    0.061   0.288     2.070   88.214   79.735
LGA    R   101_A      R   101_A     0.892     0    0.049   1.115     4.700   81.786   59.610
LGA    G   102_A      G   102_A     2.007     0    0.112   0.112     3.292   65.238   65.238
LGA    V   103_A      V   103_A     1.477     0    0.133   1.225     3.776   77.143   73.537
LGA    Q   104_A      Q   104_A     1.425     0    0.402   0.944     7.041   66.190   46.825
LGA    G   105_A      G   105_A     4.325     0    0.098   0.098     5.061   40.952   40.952
LGA    G   106_A      G   106_A     2.028     0    0.031   0.031     2.386   68.810   68.810
LGA    S   107_A      S   107_A     1.753     0    0.066   0.749     4.856   72.857   64.603
LGA    P   108_A      P   108_A     1.552     0    0.031   0.236     1.844   72.857   72.857
LGA    Q   109_A      Q   109_A     2.196     0    0.082   1.284     7.652   68.810   46.296
LGA    Y   110_A      Y   110_A     0.978     0    0.094   0.407     4.524   88.214   67.619
LGA    G   111_A      G   111_A     0.994     0    0.097   0.097     1.051   88.214   88.214
LGA    H   112_A      H   112_A     0.642     0    0.046   0.476     2.010   90.476   87.143
LGA    V   113_A      V   113_A     0.934     0    0.021   1.135     2.729   85.952   78.095
LGA    A   114_A      A   114_A     1.151     0    0.061   0.088     1.411   83.690   83.238
LGA    F   115_A      F   115_A     1.277     0    0.038   0.245     1.362   81.429   82.251
LGA    V   116_A      V   116_A     1.246     0    0.065   0.083     1.267   81.429   81.429
LGA    E   117_A      E   117_A     1.364     0    0.049   0.188     1.647   81.429   80.476
LGA    K   118_A      K   118_A     1.331     0    0.065   0.924     4.032   83.690   73.862
LGA    V   119_A      V   119_A     1.367     0    0.033   0.064     1.813   77.143   76.531
LGA    L   120_A      L   120_A     1.464     0    0.045   0.916     2.451   73.095   75.238
LGA    D   121_A      D   121_A     2.920     0    0.577   1.371     7.912   69.048   41.905
LGA    G   122_A      G   122_A     2.485     0    0.281   0.281     5.335   53.452   53.452
LGA    G   123_A      G   123_A     2.151     0    0.181   0.181     2.191   68.810   68.810
LGA    K   124_A      K   124_A     2.202     0    0.045   1.080     8.782   69.048   43.280
LGA    K   125_A      K   125_A     0.548     0    0.091   0.847     2.860   92.857   80.265
LGA    I   126_A      I   126_A     0.666     0    0.034   0.085     0.795   90.476   91.667
LGA    F   127_A      F   127_A     1.058     0    0.014   0.113     1.929   83.690   79.913
LGA    I   128_A      I   128_A     1.212     0    0.029   0.052     1.524   79.286   81.488
LGA    S   129_A      S   129_A     1.870     0    0.074   0.614     3.713   72.857   66.587
LGA    E   130_A      E   130_A     2.586     0    0.031   0.695     5.196   55.476   49.894
LGA    H   131_A      H   131_A     4.295     0    0.400   1.366     8.204   30.000   23.762
LGA    N   132_A      N   132_A     4.305     0    0.335   0.915     8.227   35.952   25.060
LGA    Y   133_A      Y   133_A     4.043     0    0.100   0.149     9.912   43.571   22.103
LGA    A   134_A      A   134_A     3.161     0    0.029   0.027     4.735   55.357   50.571
LGA    T   135_A      T   135_A     4.061     0    0.168   1.056     8.073   46.905   34.966
LGA    P   136_A      P   136_A     5.144     0    0.146   0.385     6.401   24.048   22.313
LGA    N   137_A      N   137_A     7.509     0    0.274   1.037    12.549   12.738    6.548
LGA    G   138_A      G   138_A     5.209     0    0.236   0.236     6.002   26.548   26.548
LGA    Y   139_A      Y   139_A     3.983     0    0.091   1.255    12.389   40.357   21.310
LGA    G   140_A      G   140_A     2.962     0    0.088   0.088     3.240   57.262   57.262
LGA    T   141_A      T   141_A     2.073     0    0.015   0.127     2.445   66.786   65.918
LGA    R   142_A      R   142_A     1.238     0    0.089   0.524     2.760   81.429   72.468
LGA    T   143_A      T   143_A     1.111     0    0.019   0.165     1.262   81.429   81.429
LGA    I   144_A      I   144_A     0.508     0    0.075   0.577     1.719   92.857   91.845
LGA    D   145_A      D   145_A     1.043     0    0.121   0.530     2.187   83.690   81.607
LGA    M   146_A      M   146_A     2.404     0    0.236   1.411     8.944   68.810   47.321
LGA    S   147_A      S   147_A     0.672     0    0.076   0.682     2.843   77.738   77.540
LGA    S   148_A      S   148_A     3.281     0    0.597   0.658     4.065   52.500   50.556
LGA    A   149_A      A   149_A     7.726     0    0.063   0.067    10.375   10.357    8.286
LGA    I   150_A      I   150_A     8.471     0    0.294   1.517    13.781    8.095    4.048
LGA    G   151_A      G   151_A     4.852     0    0.583   0.583     5.057   34.524   34.524
LGA    K   152_A      K   152_A     4.149     0    0.049   1.159     8.795   43.571   28.148
LGA    N   153_A      N   153_A     1.875     0    0.110   0.879     3.627   77.857   73.810
LGA    A   154_A      A   154_A     1.575     0    0.053   0.062     2.007   75.119   74.667
LGA    Q   155_A      Q   155_A     0.986     0    0.042   1.284     4.844   90.595   73.598
LGA    F   156_A      F   156_A     0.416     0    0.073   0.114     1.239   90.595   93.983
LGA    I   157_A      I   157_A     0.794     0    0.032   0.141     1.301   85.952   90.595
LGA    Y   158_A      Y   158_A     1.885     0    0.015   1.164    11.584   70.952   36.587
LGA    D   159_A      D   159_A     2.912     0    0.083   0.317     3.430   57.262   54.524
LGA    K   160_A      K   160_A     4.429     0    0.563   1.255     5.807   31.786   41.534

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      119     476    476  100.00     923    923  100.00               176
SUMMARY(RMSD_GDC):     2.496          2.460                  3.494           48.724   43.858

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  176    4.0    108    1.84    50.994    53.663     5.571

LGA_LOCAL      RMSD:   1.839  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.515  Number of assigned atoms:  119 
Std_ASGN_ATOMS RMSD:   2.496  Standard rmsd on all 119 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.922423 * X  +  -0.219039 * Y  +   0.318054 * Z  +   3.896016
  Y_new =  -0.356931 * X  +   0.797983 * Y  +  -0.485616 * Z  +  -9.235569
  Z_new =  -0.147433 * X  +  -0.561467 * Y  +  -0.814260 * Z  + -32.321255 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.772387  0.147972 -2.537920   [DEG: -158.8461    8.4782 -145.4121 ]
ZXZ:  0.579846  2.522249 -2.884805   [DEG:   33.2227  144.5142 -165.2871 ]
 
# END of job
