
#######################################################
#                                                     #
#                        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  121 (  938),  selected  121 , name one
# Molecule2: number of CA atoms  176 ( 1334),  selected  121 , 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:   121      39_A - 159_A       4.47     4.47
  LCS_AVERAGE:     68.75

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      49_A - 89_A        1.99     6.01
  LONGEST_CONTINUOUS_SEGMENT:    41      50_A - 90_A        1.98     5.76
  LONGEST_CONTINUOUS_SEGMENT:    41      60_A - 100_A       1.99     4.94
  LCS_AVERAGE:     18.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      74_A - 98_A        0.99     4.78
  LCS_AVERAGE:      8.08

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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    39_A     S    39_A      3    4  121      3    3    3    3    9   12   14   15   30   33   37   79   98   99  105  110  113  116  116  117 
LCS_GDT     F    40_A     F    40_A      3    4  121      3    3    3    3   10   31   35   55   70   90   98  105  108  112  114  115  116  117  117  117 
LCS_GDT     V    41_A     V    41_A      3    4  121      3    3    4    7   25   40   81   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q    42_A     Q    42_A      3    5  121      3    4    5    6    8    8   10   14   44   74   95  106  108  114  115  115  116  117  117  117 
LCS_GDT     P    43_A     P    43_A      4    5  121      3    3    4   12   18   33   59   68   79  100  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    44_A     G    44_A      4   17  121      3    3    4    9   29   41   59   70   83   93  106  110  113  114  115  115  116  117  117  117 
LCS_GDT     N    45_A     N    45_A      5   17  121      4    4   18   34   49   64   80   87  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     R    46_A     R    46_A      5   17  121      4    4   18   34   56   74   82   89  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     H    47_A     H    47_A      5   22  121      4    5   16   28   49   68   82   88  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y    48_A     Y    48_A      5   22  121      4    4   12   20   34   53   81   88  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     K    49_A     K    49_A      5   41  121      3    6   10   18   37   71   81   88  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y    50_A     Y    50_A      9   41  121      4    9   30   47   66   75   83   90  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q    51_A     Q    51_A      9   41  121      4   17   39   56   70   78   88   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     C    52_A     C    52_A      9   41  121      7   27   51   64   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     T    53_A     T    53_A      9   41  121      7   27   51   64   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     W    54_A     W    54_A      9   41  121      7   27   51   63   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y    55_A     Y    55_A      9   41  121      7   27   51   63   73   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A    56_A     A    56_A     12   41  121      7   26   51   63   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y    57_A     Y    57_A     12   41  121      7   23   51   62   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     N    58_A     N    58_A     12   41  121      6   19   43   62   71   82   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     R    59_A     R    59_A     12   41  121      5   11   18   42   65   75   85   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     R    60_A     R    60_A     12   41  121      5   11   22   47   72   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    61_A     G    61_A     12   41  121      5   16   45   64   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q    62_A     Q    62_A     12   41  121      5   11   20   35   59   76   86   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     L    63_A     L    63_A     12   41  121      5   11   18   29   41   68   80   91  100  102  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    64_A     G    64_A     12   41  121      5   11   18   29   46   70   81   93  100  102  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I    65_A     I    65_A     12   41  121      5   11   20   54   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     P    66_A     P    66_A     12   41  121      3   20   48   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V    67_A     V    67_A     12   41  121      5   27   54   65   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     P    68_A     P    68_A     12   41  121      3    8   26   64   73   83   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     L    69_A     L    69_A      7   41  121      9   26   41   54   73   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     W    70_A     W    70_A     10   41  121      6    7   23   51   73   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    71_A     G    71_A     18   41  121      6    8   32   62   73   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     D    72_A     D    72_A     19   41  121      6   11   39   62   72   84   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A    73_A     A    73_A     22   41  121      6   29   52   65   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A    74_A     A    74_A     25   41  121      9   29   53   65   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     D    75_A     D    75_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     W    76_A     W    76_A     25   41  121      5   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I    77_A     I    77_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    78_A     G    78_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    79_A     G    79_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A    80_A     A    80_A     25   41  121      7   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     K    81_A     K    81_A     25   41  121      4   31   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    82_A     G    82_A     25   41  121      9   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A    83_A     A    83_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    84_A     G    84_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y    85_A     Y    85_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    86_A     G    86_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V    87_A     V    87_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    88_A     G    88_A     25   41  121      9   34   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     R    89_A     R    89_A     25   41  121      6   28   52   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     T    90_A     T    90_A     25   41  121      5   13   49   63   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     P    91_A     P    91_A     25   41  121      5    5   20   56   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     K    92_A     K    92_A     25   41  121      4   27   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q    93_A     Q    93_A     25   41  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G    94_A     G    94_A     25   41  121      7   31   52   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A    95_A     A    95_A     25   41  121      8   31   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     C    96_A     C    96_A     25   41  121      6   31   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V    97_A     V    97_A     25   41  121      7   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I    98_A     I    98_A     25   41  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     W    99_A     W    99_A     10   41  121      9   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q   100_A     Q   100_A     10   41  121      8   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     R   101_A     R   101_A     10   39  121      6   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G   102_A     G   102_A      5   38  121      3    7   15   39   61   80   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V   103_A     V   103_A      5    8  121      3    5    6    6   10   18   30   37   55   72   81   98  108  113  115  115  116  117  117  117 
LCS_GDT     Q   104_A     Q   104_A      5    8  121      3    5    6    6    7    9   10   10   20   21   27   38   54   64   76   82   95  102  111  117 
LCS_GDT     G   105_A     G   105_A      5    8  121      3    5    6    6    7    8    9   10   10   11   13   15   16   23   28   32   36   45   63   67 
LCS_GDT     G   106_A     G   106_A      5    8  121      3    5    6    6    7    8    9   10   10   10   13   15   16   20   28   36   54   70   86  100 
LCS_GDT     S   107_A     S   107_A      4    8  121      3    4    4    6    7    8    9   10   12   15   18   46   62   81   98  107  113  117  117  117 
LCS_GDT     P   108_A     P   108_A      4    8  121      3    5    6   16   25   50   73   89   96  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q   109_A     Q   109_A      3   25  121      3   12   39   57   72   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y   110_A     Y   110_A     11   25  121      8   27   54   66   74   85   90   94  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G   111_A     G   111_A     11   25  121      8   29   52   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     H   112_A     H   112_A     11   25  121      6   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V   113_A     V   113_A     11   25  121      8   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A   114_A     A   114_A     11   25  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     F   115_A     F   115_A     11   25  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V   116_A     V   116_A     11   25  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     E   117_A     E   117_A     11   25  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     K   118_A     K   118_A     11   25  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     V   119_A     V   119_A     11   25  121      7   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     L   120_A     L   120_A     11   25  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     D   121_A     D   121_A     11   25  121      3    4   12   46   67   79   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G   122_A     G   122_A      3   25  121      3    5   26   49   73   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G   123_A     G   123_A      3   25  121      3    8   11   15   23   32   65   77   91   99  104  109  113  114  115  115  116  117  117  117 
LCS_GDT     K   124_A     K   124_A     10   36  121     11   31   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     K   125_A     K   125_A     10   36  121     10   31   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I   126_A     I   126_A     10   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     F   127_A     F   127_A     10   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I   128_A     I   128_A     10   36  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     S   129_A     S   129_A     10   36  121     11   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     E   130_A     E   130_A     10   36  121      4   17   48   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     H   131_A     H   131_A     10   36  121      4   17   48   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     N   132_A     N   132_A     10   36  121      6   26   48   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y   133_A     Y   133_A     10   36  121      4   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A   134_A     A   134_A      6   36  121      4    5    6    9   48   72   90   94  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     T   135_A     T   135_A      6   36  121      4    5    6    7   19   65   84   94  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     P   136_A     P   136_A      6   36  121      4    6   16   31   43   64   81   94  100  102  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     N   137_A     N   137_A      5   36  121      3    4    5   16   29   43   52   69   89  100  103  108  113  114  115  115  116  117  117  117 
LCS_GDT     G   138_A     G   138_A     17   36  121      3    6   30   49   60   77   89   94  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y   139_A     Y   139_A     20   36  121      3   23   41   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G   140_A     G   140_A     20   36  121      3   26   40   54   72   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     T   141_A     T   141_A     20   36  121      6   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     R   142_A     R   142_A     20   36  121     11   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     T   143_A     T   143_A     20   36  121     11   28   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I   144_A     I   144_A     20   36  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     D   145_A     D   145_A     20   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     M   146_A     M   146_A     20   36  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     S   147_A     S   147_A     20   36  121      6   26   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     S   148_A     S   148_A     20   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A   149_A     A   149_A     20   36  121      6   26   49   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I   150_A     I   150_A     20   36  121      6   26   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     G   151_A     G   151_A     20   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     K   152_A     K   152_A     20   36  121      5   22   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     N   153_A     N   153_A     20   36  121      9   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     A   154_A     A   154_A     20   36  121      6   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Q   155_A     Q   155_A     20   36  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     F   156_A     F   156_A     20   36  121     11   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     I   157_A     I   157_A     20   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     Y   158_A     Y   158_A     20   36  121     12   35   54   66   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_GDT     D   159_A     D   159_A     20   36  121      7   26   46   64   74   85   90   95  100  103  107  110  113  114  115  115  116  117  117  117 
LCS_AVERAGE  LCS_A:  31.94  (   8.08   18.99   68.75 )

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     12     35     54     66     74     85     90     95    100    103    107    110    113    114    115    115    116    117    117    117 
GDT PERCENT_AT   6.82  19.89  30.68  37.50  42.05  48.30  51.14  53.98  56.82  58.52  60.80  62.50  64.20  64.77  65.34  65.34  65.91  66.48  66.48  66.48
GDT RMS_LOCAL    0.33   0.71   0.97   1.22   1.38   1.69   1.81   2.09   2.27   2.48   2.64   2.81   2.98   3.06   3.17   3.14   3.25   3.46   3.46   3.42
GDT RMS_ALL_AT   5.05   4.88   4.95   4.90   4.81   4.70   4.68   4.61   4.62   4.62   4.57   4.55   4.55   4.55   4.53   4.55   4.53   4.51   4.51   4.53

# Checking swapping
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  Y    50_A      Y    50_A
#   possible swapping detected:  Y   110_A      Y   110_A
#   possible swapping detected:  D   121_A      D   121_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
#   possible swapping detected:  D   159_A      D   159_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    39_A      S    39_A    11.702     0    0.234   0.688    14.150    0.833    0.556
LGA    F    40_A      F    40_A     7.802     0    0.294   1.146    11.314    7.976    3.117
LGA    V    41_A      V    41_A     5.001     0    0.537   0.950     8.150   28.810   23.265
LGA    Q    42_A      Q    42_A     8.209     0    0.336   0.914    12.306    7.976    3.545
LGA    P    43_A      P    43_A     7.077     0    0.403   0.382     8.394    8.690    8.095
LGA    G    44_A      G    44_A     7.753     0    0.538   0.538     7.753   10.952   10.952
LGA    N    45_A      N    45_A     6.121     0    0.648   1.258    10.444   16.190   11.607
LGA    R    46_A      R    46_A     5.863     0    0.113   1.024     6.225   21.429   24.719
LGA    H    47_A      H    47_A     6.006     0    0.015   0.933     8.122   19.286   12.714
LGA    Y    48_A      Y    48_A     6.766     0    0.403   0.531     8.072   13.452    9.802
LGA    K    49_A      K    49_A     6.336     0    0.162   0.994     7.794   19.286   14.974
LGA    Y    50_A      Y    50_A     5.524     0    0.374   1.190     6.681   29.405   32.738
LGA    Q    51_A      Q    51_A     3.970     0    0.035   1.071     8.198   43.690   30.741
LGA    C    52_A      C    52_A     1.753     0    0.090   0.678     3.495   70.833   69.127
LGA    T    53_A      T    53_A     1.824     0    0.228   0.313     1.965   75.000   74.082
LGA    W    54_A      W    54_A     2.251     0    0.085   1.524     8.178   64.762   46.667
LGA    Y    55_A      Y    55_A     2.374     0    0.043   1.423    11.049   64.762   34.921
LGA    A    56_A      A    56_A     2.303     0    0.048   0.055     2.450   64.762   64.762
LGA    Y    57_A      Y    57_A     2.336     0    0.024   1.341     8.866   64.762   41.032
LGA    N    58_A      N    58_A     3.149     0    0.040   1.121     6.436   51.786   41.250
LGA    R    59_A      R    59_A     4.233     0    0.056   1.093    10.395   40.238   20.563
LGA    R    60_A      R    60_A     2.908     0    0.031   0.979     4.407   53.571   56.710
LGA    G    61_A      G    61_A     1.960     0    0.072   0.072     3.184   63.214   63.214
LGA    Q    62_A      Q    62_A     4.328     0    0.047   1.155     6.730   36.190   29.788
LGA    L    63_A      L    63_A     5.021     0    0.053   0.129     6.091   27.738   26.488
LGA    G    64_A      G    64_A     4.853     0    0.078   0.078     5.292   30.119   30.119
LGA    I    65_A      I    65_A     3.313     0    0.096   0.937     4.711   51.905   46.190
LGA    P    66_A      P    66_A     3.026     0    0.019   0.227     5.019   51.786   44.830
LGA    V    67_A      V    67_A     2.787     0    0.654   0.585     3.889   55.595   54.218
LGA    P    68_A      P    68_A     3.254     0    0.626   0.679     6.020   55.714   43.265
LGA    L    69_A      L    69_A     3.270     0    0.586   0.453     9.083   57.976   33.690
LGA    W    70_A      W    70_A     2.614     0    0.664   0.589     3.759   55.595   50.714
LGA    G    71_A      G    71_A     2.564     0    0.150   0.150     2.822   57.143   57.143
LGA    D    72_A      D    72_A     2.699     0    0.050   0.833     3.308   64.881   66.071
LGA    A    73_A      A    73_A     1.580     0    0.072   0.078     1.930   75.000   74.571
LGA    A    74_A      A    74_A     1.688     0    0.118   0.124     2.515   71.071   69.810
LGA    D    75_A      D    75_A     1.299     0    0.185   0.501     2.640   81.429   79.524
LGA    W    76_A      W    76_A     1.492     0    0.149   1.589     6.574   81.429   56.497
LGA    I    77_A      I    77_A     0.574     0    0.032   1.034     3.279   90.476   78.988
LGA    G    78_A      G    78_A     1.026     0    0.040   0.040     1.144   83.690   83.690
LGA    G    79_A      G    79_A     1.280     0    0.020   0.020     1.535   79.286   79.286
LGA    A    80_A      A    80_A     1.693     0    0.049   0.053     1.847   72.857   72.857
LGA    K    81_A      K    81_A     1.500     0    0.058   0.778     1.735   72.857   77.725
LGA    G    82_A      G    82_A     1.723     0    0.052   0.052     1.723   72.857   72.857
LGA    A    83_A      A    83_A     1.611     0    0.139   0.143     1.689   75.000   76.286
LGA    G    84_A      G    84_A     1.649     0    0.020   0.020     1.739   77.143   77.143
LGA    Y    85_A      Y    85_A     1.135     0    0.031   0.646     3.573   85.952   75.317
LGA    G    86_A      G    86_A     0.436     0    0.190   0.190     1.165   92.976   92.976
LGA    V    87_A      V    87_A     0.844     0    0.072   0.106     1.705   83.810   81.565
LGA    G    88_A      G    88_A     1.071     0    0.105   0.105     1.356   83.690   83.690
LGA    R    89_A      R    89_A     1.586     0    0.313   1.656     6.915   77.143   58.788
LGA    T    90_A      T    90_A     2.223     0    0.161   0.182     2.777   73.214   67.415
LGA    P    91_A      P    91_A     2.686     0    0.142   0.374     5.367   59.048   48.980
LGA    K    92_A      K    92_A     1.809     0    0.071   1.078     4.201   77.143   64.180
LGA    Q    93_A      Q    93_A     0.991     0    0.103   0.226     1.295   85.952   86.455
LGA    G    94_A      G    94_A     0.955     0    0.225   0.225     2.343   81.786   81.786
LGA    A    95_A      A    95_A     0.927     0    0.157   0.205     1.601   88.214   85.143
LGA    C    96_A      C    96_A     1.052     0    0.012   0.796     2.179   79.286   77.222
LGA    V    97_A      V    97_A     1.414     0    0.021   1.065     3.183   86.071   77.143
LGA    I    98_A      I    98_A     1.255     0    0.083   1.080     3.190   81.548   72.440
LGA    W    99_A      W    99_A     0.921     0    0.057   1.013     9.569   92.857   43.707
LGA    Q   100_A      Q   100_A     0.776     0    0.165   1.474     3.508   78.095   71.005
LGA    R   101_A      R   101_A     1.987     0    0.153   0.972    12.849   75.238   36.147
LGA    G   102_A      G   102_A     4.709     0    0.539   0.539     6.198   30.000   30.000
LGA    V   103_A      V   103_A    10.151     0    0.168   1.140    13.235    1.190    0.680
LGA    Q   104_A      Q   104_A    17.014     0    0.630   1.271    23.478    0.000    0.000
LGA    G   105_A      G   105_A    20.441     0    0.102   0.102    21.317    0.000    0.000
LGA    G   106_A      G   106_A    16.338     0    0.672   0.672    17.164    0.000    0.000
LGA    S   107_A      S   107_A    13.542     0    0.538   0.499    17.722    0.000    0.000
LGA    P   108_A      P   108_A     6.746     0    0.648   0.696     9.713   24.048   18.299
LGA    Q   109_A      Q   109_A     3.321     0    0.641   1.340    11.243   62.500   32.011
LGA    Y   110_A      Y   110_A     2.632     0    0.629   1.150     8.227   62.976   31.032
LGA    G   111_A      G   111_A     0.784     0    0.248   0.248     0.784   95.238   95.238
LGA    H   112_A      H   112_A     0.959     0    0.238   1.138     6.560   90.595   61.714
LGA    V   113_A      V   113_A     0.703     0    0.029   1.210     2.827   95.238   83.469
LGA    A   114_A      A   114_A     0.166     0    0.135   0.177     1.067   95.357   96.286
LGA    F   115_A      F   115_A     0.660     0    0.025   0.260     1.429   90.476   88.831
LGA    V   116_A      V   116_A     0.563     0    0.009   0.045     0.695   90.476   90.476
LGA    E   117_A      E   117_A     0.777     0    0.103   0.805     2.720   90.476   82.804
LGA    K   118_A      K   118_A     0.960     0    0.047   1.053     2.610   90.476   81.058
LGA    V   119_A      V   119_A     1.152     0    0.039   1.112     3.656   83.810   73.742
LGA    L   120_A      L   120_A     1.062     0    0.190   1.405     5.723   90.714   67.976
LGA    D   121_A      D   121_A     3.782     0    0.215   0.990     9.505   63.690   35.357
LGA    G   122_A      G   122_A     3.196     0    0.028   0.028     7.257   44.167   44.167
LGA    G   123_A      G   123_A     6.548     0    0.249   0.249     6.548   21.071   21.071
LGA    K   124_A      K   124_A     1.303     0    0.233   0.595     2.590   75.357   80.794
LGA    K   125_A      K   125_A     1.372     0    0.084   0.788     2.523   77.143   73.069
LGA    I   126_A      I   126_A     0.680     0    0.088   1.117     2.412   90.476   80.833
LGA    F   127_A      F   127_A     0.412     0    0.116   1.159     5.596  100.000   72.857
LGA    I   128_A      I   128_A     0.552     0    0.034   0.070     0.920   92.857   91.667
LGA    S   129_A      S   129_A     1.274     0    0.188   0.279     1.721   81.429   80.000
LGA    E   130_A      E   130_A     2.475     0    0.265   0.568     5.894   54.167   47.302
LGA    H   131_A      H   131_A     2.634     0    0.452   0.498     5.404   49.524   55.905
LGA    N   132_A      N   132_A     2.869     0    0.570   1.383     8.195   55.595   36.845
LGA    Y   133_A      Y   133_A     2.859     0    0.101   1.318     9.080   53.571   36.944
LGA    A   134_A      A   134_A     4.428     0    0.175   0.175     5.225   34.524   32.857
LGA    T   135_A      T   135_A     5.465     0    0.073   0.152     7.342   34.762   26.259
LGA    P   136_A      P   136_A     6.052     0    0.154   0.406     8.499   18.214   13.946
LGA    N   137_A      N   137_A     6.782     0    0.233   0.992    11.338   20.714   11.012
LGA    G   138_A      G   138_A     4.679     0    0.339   0.339     4.998   35.833   35.833
LGA    Y   139_A      Y   139_A     2.352     0    0.261   1.414     7.878   57.262   44.246
LGA    G   140_A      G   140_A     3.474     0    0.135   0.135     3.474   57.262   57.262
LGA    T   141_A      T   141_A     1.868     0    0.052   1.011     3.300   64.881   60.544
LGA    R   142_A      R   142_A     1.749     0    0.039   0.746     3.248   81.548   66.104
LGA    T   143_A      T   143_A     1.103     0    0.060   0.133     1.701   85.952   82.789
LGA    I   144_A      I   144_A     0.450     0    0.089   0.572     1.960  100.000   91.905
LGA    D   145_A      D   145_A     0.425     0    0.129   0.874     2.981   95.238   82.321
LGA    M   146_A      M   146_A     1.252     0    0.027   1.371     6.278   77.381   67.440
LGA    S   147_A      S   147_A     2.033     0    0.345   0.614     3.937   61.429   58.968
LGA    S   148_A      S   148_A     1.559     0    0.068   0.718     1.857   75.000   75.714
LGA    A   149_A      A   149_A     2.578     0    0.143   0.145     3.195   64.881   61.905
LGA    I   150_A      I   150_A     1.861     0    0.059   0.608     2.506   75.119   71.012
LGA    G   151_A      G   151_A     0.724     0    0.118   0.118     1.134   90.595   90.595
LGA    K   152_A      K   152_A     1.962     0    0.032   1.189     4.536   75.000   67.619
LGA    N   153_A      N   153_A     1.608     0    0.139   0.869     2.038   75.000   78.512
LGA    A   154_A      A   154_A     0.805     0    0.032   0.034     0.999   95.238   94.286
LGA    Q   155_A      Q   155_A     0.482     0    0.102   1.279     3.879   95.238   80.688
LGA    F   156_A      F   156_A     0.714     0    0.010   1.209     5.339   97.619   71.299
LGA    I   157_A      I   157_A     0.392     0    0.037   0.546     1.626   92.857   93.036
LGA    Y   158_A      Y   158_A     0.670     0    0.121   1.069     4.408   95.238   73.730
LGA    D   159_A      D   159_A     1.752     0    0.554   0.590     4.371   65.952   58.155

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     938    938  100.00               176
SUMMARY(RMSD_GDC):     4.474          4.420                  5.041           42.482   37.633

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  176    4.0     95    2.09    44.176    40.624     4.346

LGA_LOCAL      RMSD:   2.086  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.610  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   4.474  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.410065 * X  +   0.814461 * Y  +  -0.410487 * Z  +   1.978700
  Y_new =  -0.241557 * X  +   0.337012 * Y  +   0.909985 * Z  +  -3.356077
  Z_new =   0.879487 * X  +   0.472309 * Y  +   0.058542 * Z  +  -0.229756 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.609248 -1.074782  1.447477   [DEG: -149.4989  -61.5805   82.9343 ]
ZXZ: -2.717831  1.512221  1.077967   [DEG: -155.7202   86.6439   61.7629 ]
 
# END of job
