
#######################################################
#                                                     #
#                        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  164 ( 1284),  selected  151 , name one
# Molecule2: number of CA atoms  151 ( 1194),  selected  151 , 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:    65      97_A - 161_A       4.96    21.86
  LCS_AVERAGE:     40.93

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      48_A - 76_A        1.92    16.11
  LONGEST_CONTINUOUS_SEGMENT:    29     120_A - 148_A       2.00    19.77
  LONGEST_CONTINUOUS_SEGMENT:    29     121_A - 149_A       1.97    19.57
  LCS_AVERAGE:     14.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      54_A - 76_A        0.91    16.29
  LCS_AVERAGE:     10.65

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  151
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    11_A     Q    11_A      3   19   63      3    3    4    4    7   17   28   37   47   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    12_A     A    12_A     14   19   63      3    4    4    5   19   24   32   40   47   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     V    13_A     V    13_A     16   19   63      3   15   16   16   19   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    14_A     E    14_A     16   19   63      8   15   16   16   20   28   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    15_A     D    15_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     F    16_A     F    16_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     L    17_A     L    17_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    18_A     R    18_A     16   19   63      7   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     V    19_A     V    19_A     16   19   63      7   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     H    20_A     H    20_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     S    21_A     S    21_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    22_A     E    22_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     L    23_A     L    23_A     16   19   63      8   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     V    24_A     V    24_A     16   19   63      7   15   16   16   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     H    25_A     H    25_A     16   19   63      7   15   16   16   19   29   37   44   48   51   52   55   60   62   65   68   70   73   77   80 
LCS_GDT     R    26_A     R    26_A     16   19   63      7   15   16   16   20   29   37   44   48   51   52   55   60   62   64   66   70   73   77   80 
LCS_GDT     L    27_A     L    27_A     16   19   63      7   15   16   16   20   29   37   44   48   51   52   55   60   62   64   68   70   72   75   80 
LCS_GDT     A    28_A     A    28_A     16   19   63      3   11   16   16   17   29   37   44   48   51   52   55   60   62   64   65   70   72   75   80 
LCS_GDT     G    29_A     G    29_A      3   19   63      3   10   11   15   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    30_A     D    30_A      3   19   63      3    3    4    8   17   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     P    31_A     P    31_A      3   22   63      3    3    4    6   17   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     P    32_A     P    32_A      3   22   63      3    3   11   13   19   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    33_A     D    33_A     19   22   63      6   15   18   19   20   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    34_A     E    34_A     19   22   63     13   17   18   19   19   29   37   44   48   51   52   56   60   64   65   68   69   71   75   79 
LCS_GDT     L    35_A     L    35_A     19   22   63     13   17   18   19   19   22   33   44   48   51   52   55   60   62   65   68   69   70   75   79 
LCS_GDT     F    36_A     F    36_A     19   22   63     13   17   18   19   20   25   36   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     Q    37_A     Q    37_A     19   22   63     13   17   18   19   19   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    38_A     R    38_A     19   22   63     13   17   18   19   19   28   37   44   48   51   52   55   60   64   65   68   69   70   75   79 
LCS_GDT     L    39_A     L    39_A     19   22   63     13   17   18   19   19   24   36   44   48   51   52   55   60   64   65   68   69   72   77   80 
LCS_GDT     D    40_A     D    40_A     19   22   63     13   17   18   19   20   27   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    41_A     R    41_A     19   22   63     13   17   18   22   27   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     F    42_A     F    42_A     19   22   63     12   17   18   19   19   29   37   44   48   51   52   55   60   64   65   68   69   70   75   79 
LCS_GDT     V    43_A     V    43_A     19   22   63     13   17   18   19   20   26   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     T    44_A     T    44_A     19   22   63     13   17   18   20   23   27   34   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    45_A     D    45_A     19   22   63     13   17   23   25   27   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    46_A     A    46_A     19   22   63     13   17   18   19   19   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     I    47_A     I    47_A     19   22   63     13   17   18   19   19   27   36   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     I    48_A     I    48_A     19   29   63     10   17   18   19   25   28   34   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    49_A     E    49_A     19   29   63     10   17   18   23   27   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     G    50_A     G    50_A     19   29   63      8   17   18   19   20   26   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     N    51_A     N    51_A     19   29   63      4    9   18   25   27   28   33   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     P    52_A     P    52_A      4   29   63      3    7   11   18   24   29   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    53_A     E    53_A      4   29   63      3    4    4    7   13   19   32   43   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    54_A     R    54_A     23   29   63      8   19   23   25   27   28   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    55_A     R    55_A     23   29   63      9   19   23   25   27   28   37   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    56_A     D    56_A     23   29   63     14   18   23   25   27   29   38   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    57_A     E    57_A     23   29   63      9   19   23   25   27   32   41   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     I    58_A     I    58_A     23   29   63      9   19   23   25   27   29   38   44   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     K    59_A     K    59_A     23   29   63      9   19   23   25   27   28   32   42   48   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    60_A     A    60_A     23   29   63      9   19   23   25   27   28   30   37   45   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    61_A     D    61_A     23   29   63      9   19   23   25   27   28   32   40   47   51   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     L    62_A     L    62_A     23   29   63      5   19   23   25   27   28   30   35   43   49   52   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    63_A     A    63_A     23   29   63     10   19   23   25   27   28   30   35   39   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    64_A     R    64_A     23   29   63     10   19   23   25   27   28   30   35   39   45   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    65_A     A    65_A     23   29   63     10   19   23   25   27   28   30   35   41   46   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    66_A     A    66_A     23   29   63     10   19   23   25   27   28   30   35   39   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    67_A     R    67_A     23   29   63     10   19   23   25   27   28   30   35   39   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     V    68_A     V    68_A     23   29   63     10   19   23   25   27   28   30   35   39   45   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     F    69_A     F    69_A     23   29   63     10   19   23   25   27   28   30   35   39   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     G    70_A     G    70_A     23   29   63     10   19   23   25   27   28   30   35   39   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    71_A     E    71_A     23   29   63     10   19   23   25   27   28   30   35   39   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     A    72_A     A    72_A     23   29   63     10   19   23   25   27   28   30   35   39   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     L    73_A     L    73_A     23   29   63     10   19   23   25   27   28   30   34   39   43   48   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    74_A     E    74_A     23   29   53      9   19   23   25   27   28   30   35   39   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     R    75_A     R    75_A     23   29   53      8   19   23   25   27   28   30   35   39   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     D    76_A     D    76_A     23   29   53      3    4    6   25   27   28   30   35   39   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     I    77_A     I    77_A      4   26   53      3    7   10   12   17   24   29   35   39   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     T    78_A     T    78_A      4    5   53      3    4    5    8   12   20   29   35   39   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     T    79_A     T    79_A      4   13   53      3    4    6    9   12   17   25   32   38   43   50   56   60   64   65   68   70   73   77   80 
LCS_GDT     P    80_A     P    80_A     12   13   53     10   12   12   12   12   17   25   32   38   43   49   56   60   64   65   68   70   73   77   80 
LCS_GDT     E    81_A     E    81_A     12   13   53     11   12   12   12   12   16   25   32   38   43   48   51   55   59   65   68   70   73   77   80 
LCS_GDT     D    82_A     D    82_A     12   13   52     11   12   12   12   12   12   15   29   38   43   48   51   56   59   63   68   70   73   77   80 
LCS_GDT     F    83_A     F    83_A     12   13   52     11   12   12   12   12   16   25   32   38   43   48   54   58   61   65   68   70   73   77   80 
LCS_GDT     N    84_A     N    84_A     12   13   49     11   12   12   12   12   16   25   32   38   43   48   53   58   61   65   68   70   73   77   80 
LCS_GDT     A    85_A     A    85_A     12   13   47     11   12   12   12   12   13   16   23   31   43   48   50   53   57   61   68   70   72   75   78 
LCS_GDT     F    86_A     F    86_A     12   13   46     11   12   12   12   12   13   16   20   30   43   48   50   54   58   62   68   70   73   77   80 
LCS_GDT     L    87_A     L    87_A     12   13   46     11   12   12   12   12   17   25   32   38   43   48   54   58   61   65   68   70   73   77   80 
LCS_GDT     R    88_A     R    88_A     12   13   46     11   12   12   12   12   12   16   20   27   41   46   49   53   54   61   64   70   72   75   78 
LCS_GDT     E    89_A     E    89_A     12   13   46     11   12   12   12   12   12   15   18   25   31   37   46   49   53   55   57   62   64   70   75 
LCS_GDT     L    90_A     L    90_A     12   13   46     11   12   12   12   12   14   20   28   38   43   48   51   54   59   62   68   70   73   77   80 
LCS_GDT     G    91_A     G    91_A     12   13   46     11   12   12   12   12   14   20   26   38   43   48   51   54   59   62   68   70   73   77   80 
LCS_GDT     P    92_A     P    92_A      9   13   46      7    9    9    9   12   14   20   29   38   43   48   51   54   59   62   68   70   73   75   80 
LCS_GDT     E    93_A     E    93_A      9   11   46      7    9    9    9   12   18   20   32   38   43   48   51   57   59   65   68   70   73   77   80 
LCS_GDT     A    94_A     A    94_A      9   11   46      7    9    9    9    9   11   12   16   26   39   48   54   58   61   65   68   70   73   77   80 
LCS_GDT     V    95_A     V    95_A      9   11   46      7    9    9    9    9   11   12   14   16   16   20   42   52   57   62   68   70   73   77   80 
LCS_GDT     E    96_A     E    96_A      9   11   55      7    9    9    9    9   11   12   16   26   38   47   49   57   61   65   68   70   73   77   80 
LCS_GDT     L    97_A     L    97_A      9   11   65      7    9    9    9    9   11   12   14   18   21   23   35   48   56   58   67   70   73   77   80 
LCS_GDT     V    98_A     V    98_A      9   11   65      7    9    9    9    9   26   36   44   46   48   51   53   55   57   59   62   64   67   72   74 
LCS_GDT     S    99_A     S    99_A      9   11   65      7    9    9    9   12   15   29   31   40   48   51   53   55   57   59   62   64   67   72   74 
LCS_GDT     T   100_A     T   100_A      5   14   65      4    5    5   15   22   27   35   44   46   49   52   54   57   58   59   64   67   70   75   79 
LCS_GDT     F   101_A     F   101_A     13   14   65      5    9   13   15   21   27   29   44   46   49   52   54   57   58   61   64   67   70   75   79 
LCS_GDT     T   102_A     T   102_A     13   14   65      6   11   13   13   13   13   15   19   20   22   40   48   53   56   61   64   67   70   75   79 
LCS_GDT     Q   103_A     Q   103_A     13   14   65      6   11   13   13   13   13   15   19   20   44   49   55   60   62   64   65   67   69   75   79 
LCS_GDT     Q   104_A     Q   104_A     13   14   65      6   11   13   13   19   26   31   39   45   49   52   55   60   62   64   65   67   69   75   79 
LCS_GDT     F   105_A     F   105_A     13   14   65      6   11   13   13   19   27   35   44   46   49   52   55   60   62   64   65   67   70   75   79 
LCS_GDT     V   106_A     V   106_A     13   14   65      6   11   13   13   13   17   26   38   42   47   51   55   60   62   64   65   67   69   73   77 
LCS_GDT     D   107_A     D   107_A     13   14   65      6   11   13   17   17   19   26   33   36   40   52   54   58   62   64   65   67   69   73   75 
LCS_GDT     V   108_A     V   108_A     13   14   65      6   11   13   13   19   27   31   35   45   49   52   54   57   58   59   61   67   69   73   75 
LCS_GDT     I   109_A     I   109_A     13   14   65      6   11   13   13   17   26   32   41   46   49   52   55   58   62   64   65   67   69   73   75 
LCS_GDT     R   110_A     R   110_A     13   14   65      6   11   13   17   17   21   27   33   36   48   52   54   57   58   59   61   64   67   69   71 
LCS_GDT     G   111_A     G   111_A     13   14   65      6   11   13   13   13   15   22   30   35   38   39   42   54   57   58   61   63   67   69   70 
LCS_GDT     D   112_A     D   112_A     13   14   65      9   11   13   13   13   15   20   26   31   34   39   40   52   57   57   61   63   67   69   70 
LCS_GDT     P   113_A     P   113_A     13   14   65      9    9   13   13   21   27   31   37   45   49   52   54   57   58   59   62   64   67   69   73 
LCS_GDT     Q   114_A     Q   114_A     10   14   65      9    9    9   10   12   15   22   30   35   38   44   54   57   58   59   61   64   65   68   69 
LCS_GDT     A   115_A     A   115_A     10   12   65      9    9    9   10   13   19   25   33   35   38   41   50   54   58   59   61   64   65   68   69 
LCS_GDT     V   116_A     V   116_A     10   12   65      9    9    9   13   24   27   31   33   42   49   52   54   57   58   59   62   64   66   69   73 
LCS_GDT     A   117_A     A   117_A     10   12   65      9    9   10   15   24   27   36   43   46   49   52   54   57   58   59   62   64   67   70   73 
LCS_GDT     E   118_A     E   118_A     10   12   65      9    9   10   15   24   27   31   39   45   49   52   54   57   58   59   62   64   66   68   71 
LCS_GDT     H   119_A     H   119_A     10   27   65      9    9    9   13   24   27   31   33   37   47   52   54   57   58   59   62   64   66   68   71 
LCS_GDT     L   120_A     L   120_A     10   29   65      9    9    9   10   13   17   25   34   44   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     N   121_A     N   121_A     10   29   65      3    4    8   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     I   122_A     I   122_A      4   29   65      3    4    6   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     S   123_A     S   123_A     20   29   65      6   17   21   23   24   28   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     L   124_A     L   124_A     22   29   65      8   18   21   24   26   32   41   44   46   49   52   54   57   58   59   62   67   67   72   74 
LCS_GDT     E   125_A     E   125_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   55   60   62   64   65   67   69   73   77 
LCS_GDT     D   126_A     D   126_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   55   58   61   64   65   67   69   73   77 
LCS_GDT     V   127_A     V   127_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   55   60   62   64   65   67   69   73   77 
LCS_GDT     A   128_A     A   128_A     22   29   65     14   18   21   24   26   32   41   44   48   50   52   55   60   62   64   65   67   69   75   79 
LCS_GDT     R   129_A     R   129_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   54   60   62   64   65   67   69   75   79 
LCS_GDT     L   130_A     L   130_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   54   57   60   63   65   67   69   75   79 
LCS_GDT     A   131_A     A   131_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   55   60   62   64   65   68   70   75   79 
LCS_GDT     E   132_A     E   132_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   54   57   60   62   64   68   70   75   79 
LCS_GDT     A   133_A     A   133_A     22   29   65     14   18   21   24   27   32   41   44   46   49   52   54   57   58   61   64   67   70   75   79 
LCS_GDT     G   134_A     G   134_A     22   29   65     14   19   22   24   27   32   41   44   46   49   52   54   57   58   61   64   67   70   75   79 
LCS_GDT     E   135_A     E   135_A     22   29   65     14   18   22   25   27   32   41   44   46   49   52   54   57   58   61   64   68   70   75   79 
LCS_GDT     A   136_A     A   136_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   54   57   58   61   64   67   70   75   79 
LCS_GDT     A   137_A     A   137_A     22   29   65     14   18   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   75 
LCS_GDT     I   138_A     I   138_A     22   29   65     12   18   21   23   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   75 
LCS_GDT     E   139_A     E   139_A     22   29   65     11   18   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     R   140_A     R   140_A     22   29   65     11   18   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     G   141_A     G   141_A     22   29   65      5   18   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     E   142_A     E   142_A     22   29   65      4   18   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     G   143_A     G   143_A     22   29   65      3    5   13   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     A   144_A     A   144_A     22   29   65      3   13   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   68   75   79 
LCS_GDT     S   145_A     S   145_A     22   29   65      3   16   21   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     L   146_A     L   146_A     16   29   65      3    4   10   24   26   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     G   147_A     G   147_A     16   29   65      6   14   14   17   18   32   41   44   46   49   52   54   57   58   59   62   64   67   72   77 
LCS_GDT     V   148_A     V   148_A     16   29   65      6   14   14   17   17   32   41   44   46   49   52   54   57   58   59   62   64   68   72   77 
LCS_GDT     H   149_A     H   149_A     16   29   65      5   14   14   17   17   31   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     R   150_A     R   150_A     16   20   65      5   14   14   17   17   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     E   151_A     E   151_A     16   20   65      5   14   14   17   17   23   41   44   46   49   52   54   57   58   59   62   64   68   72   77 
LCS_GDT     L   152_A     L   152_A     16   20   65      6   14   14   17   17   21   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     R   153_A     R   153_A     16   20   65      6   14   14   17   18   32   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     R   154_A     R   154_A     16   20   65      6   14   14   17   17   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     I   155_A     I   155_A     16   20   65      6   14   14   17   17   27   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     E   156_A     E   156_A     16   20   65      6   14   14   17   17   30   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     A   157_A     A   157_A     16   20   65      6   14   14   17   17   32   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     R   158_A     R   158_A     16   20   65      6   14   14   17   17   31   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     R   159_A     R   159_A     16   20   65      6   14   14   17   17   28   41   44   46   49   52   54   57   58   59   62   64   67   72   74 
LCS_GDT     N   160_A     N   160_A     16   20   65      3    3   11   17   17   19   26   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_GDT     S   161_A     S   161_A     16   20   65      3   14   14   17   17   32   41   44   46   49   52   54   57   58   59   62   64   67   72   73 
LCS_AVERAGE  LCS_A:  21.99  (  10.65   14.39   40.93 )

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     14     19     23     25     27     32     41     44     48     51     52     56     60     64     65     68     70     73     77     80 
GDT PERCENT_AT   9.27  12.58  15.23  16.56  17.88  21.19  27.15  29.14  31.79  33.77  34.44  37.09  39.74  42.38  43.05  45.03  46.36  48.34  50.99  52.98
GDT RMS_LOCAL    0.32   0.69   0.86   1.00   1.20   2.20   2.63   2.73   3.09   3.28   3.33   4.24   4.07   4.68   4.76   4.99   5.26   5.45   5.77   5.98
GDT RMS_ALL_AT  19.17  16.33  16.22  16.51  16.01  18.88  18.87  18.38  15.84  15.98  15.87  18.22  15.49  18.30  18.36  17.97  22.04  21.76  21.10  21.22

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  D    61_A      D    61_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  F   101_A      F   101_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  E   132_A      E   132_A
#   possible swapping detected:  E   135_A      E   135_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  E   156_A      E   156_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A    14.387     0    0.468   1.090    15.009    0.000    0.000
LGA    A    12_A      A    12_A    15.813     0    0.390   0.373    17.214    0.000    0.000
LGA    V    13_A      V    13_A    17.861     0    0.285   1.174    18.890    0.000    0.000
LGA    E    14_A      E    14_A    21.373     0    0.196   1.032    24.208    0.000    0.000
LGA    D    15_A      D    15_A    20.686     0    0.024   0.897    21.239    0.000    0.000
LGA    F    16_A      F    16_A    18.433     0    0.068   1.130    20.286    0.000    0.000
LGA    L    17_A      L    17_A    21.430     0    0.091   0.177    23.280    0.000    0.000
LGA    R    18_A      R    18_A    24.752     0    0.106   1.441    30.453    0.000    0.000
LGA    V    19_A      V    19_A    23.653     0    0.087   0.156    24.486    0.000    0.000
LGA    H    20_A      H    20_A    22.387     0    0.077   1.108    24.740    0.000    0.000
LGA    S    21_A      S    21_A    26.176     0    0.047   0.094    28.431    0.000    0.000
LGA    E    22_A      E    22_A    28.605     0    0.030   1.054    33.040    0.000    0.000
LGA    L    23_A      L    23_A    27.446     0    0.024   0.952    28.806    0.000    0.000
LGA    V    24_A      V    24_A    27.588     0    0.036   0.150    29.917    0.000    0.000
LGA    H    25_A      H    25_A    31.219     0    0.045   1.479    35.910    0.000    0.000
LGA    R    26_A      R    26_A    32.717     0    0.021   1.216    37.511    0.000    0.000
LGA    L    27_A      L    27_A    31.447     0    0.102   0.913    33.119    0.000    0.000
LGA    A    28_A      A    28_A    32.734     0    0.651   0.616    33.102    0.000    0.000
LGA    G    29_A      G    29_A    35.042     0    0.242   0.242    35.042    0.000    0.000
LGA    D    30_A      D    30_A    31.284     0    0.594   1.229    32.307    0.000    0.000
LGA    P    31_A      P    31_A    33.841     0    0.710   0.621    34.974    0.000    0.000
LGA    P    32_A      P    32_A    32.811     0    0.050   0.214    34.248    0.000    0.000
LGA    D    33_A      D    33_A    31.378     0    0.604   1.005    32.913    0.000    0.000
LGA    E    34_A      E    34_A    27.380     0    0.075   1.450    29.161    0.000    0.000
LGA    L    35_A      L    35_A    21.258     0    0.051   1.426    23.714    0.000    0.000
LGA    F    36_A      F    36_A    23.247     0    0.030   1.195    25.807    0.000    0.000
LGA    Q    37_A      Q    37_A    24.384     0    0.042   1.151    32.069    0.000    0.000
LGA    R    38_A      R    38_A    18.724     0    0.024   1.453    21.351    0.000    0.000
LGA    L    39_A      L    39_A    15.126     0    0.027   1.274    16.591    0.000    0.000
LGA    D    40_A      D    40_A    18.488     0    0.037   1.084    22.687    0.000    0.000
LGA    R    41_A      R    41_A    17.944     0    0.037   1.400    28.442    0.000    0.000
LGA    F    42_A      F    42_A    11.822     0    0.120   1.462    14.052    0.000    6.667
LGA    V    43_A      V    43_A    11.336     0    0.062   0.886    14.293    0.000    0.000
LGA    T    44_A      T    44_A    14.140     0    0.069   0.149    17.730    0.000    0.000
LGA    D    45_A      D    45_A    13.739     0    0.047   0.112    17.881    0.000    0.000
LGA    A    46_A      A    46_A     9.494     0    0.052   0.053    10.490    1.071    1.429
LGA    I    47_A      I    47_A     8.906     0    0.078   1.434    13.552    1.548    1.726
LGA    I    48_A      I    48_A    12.770     0    0.052   1.335    17.585    0.000    0.000
LGA    E    49_A      E    49_A    14.412     0    0.121   0.457    21.283    0.000    0.000
LGA    G    50_A      G    50_A    11.142     0    0.042   0.042    12.112    0.000    0.000
LGA    N    51_A      N    51_A    11.195     0    0.554   0.674    12.881    0.000    2.738
LGA    P    52_A      P    52_A    16.416     0    0.096   0.470    18.737    0.000    0.000
LGA    E    53_A      E    53_A    13.906     0    0.244   1.359    15.877    0.000    0.000
LGA    R    54_A      R    54_A     7.560     0    0.460   0.691    14.953   14.048    5.931
LGA    R    55_A      R    55_A     6.662     0    0.050   1.340    16.205   21.071    8.095
LGA    D    56_A      D    56_A     3.304     0    0.101   1.102     6.907   52.500   41.607
LGA    E    57_A      E    57_A     1.698     0    0.031   0.769     8.129   73.690   44.550
LGA    I    58_A      I    58_A     1.812     0    0.035   0.861     4.686   59.524   51.548
LGA    K    59_A      K    59_A     6.648     0    0.132   0.807    12.728   14.405    7.566
LGA    A    60_A      A    60_A     7.695     0    0.142   0.143    10.385    7.262    7.810
LGA    D    61_A      D    61_A     7.355     0    0.032   1.153     9.760    7.143   13.214
LGA    L    62_A      L    62_A     9.647     0    0.052   1.503    13.248    1.310    0.893
LGA    A    63_A      A    63_A    14.419     0    0.025   0.041    17.177    0.000    0.000
LGA    R    64_A      R    64_A    15.544     0    0.042   1.081    17.507    0.000    0.000
LGA    A    65_A      A    65_A    14.269     0    0.091   0.093    16.669    0.000    0.000
LGA    A    66_A      A    66_A    17.962     0    0.090   0.090    21.024    0.000    0.000
LGA    R    67_A      R    67_A    21.650     0    0.070   1.401    24.070    0.000    0.000
LGA    V    68_A      V    68_A    21.071     0    0.032   0.125    23.236    0.000    0.000
LGA    F    69_A      F    69_A    21.450     0    0.070   1.612    24.482    0.000    0.000
LGA    G    70_A      G    70_A    26.146     0    0.053   0.053    28.990    0.000    0.000
LGA    E    71_A      E    71_A    28.350     0    0.051   0.211    30.389    0.000    0.000
LGA    A    72_A      A    72_A    27.053     0    0.034   0.049    29.647    0.000    0.000
LGA    L    73_A      L    73_A    29.674     0    0.103   1.091    33.084    0.000    0.000
LGA    E    74_A      E    74_A    34.819     0    0.181   0.801    37.778    0.000    0.000
LGA    R    75_A      R    75_A    35.131     0    0.565   1.297    35.317    0.000    0.000
LGA    D    76_A      D    76_A    36.201     0    0.490   0.487    38.330    0.000    0.000
LGA    I    77_A      I    77_A    37.048     0    0.143   1.502    39.614    0.000    0.000
LGA    T    78_A      T    78_A    35.571     0    0.658   0.942    36.367    0.000    0.000
LGA    T    79_A      T    79_A    36.584     0    0.642   0.583    40.592    0.000    0.000
LGA    P    80_A      P    80_A    33.788     0    0.635   0.597    34.362    0.000    0.000
LGA    E    81_A      E    81_A    36.877     0    0.053   1.132    39.029    0.000    0.000
LGA    D    82_A      D    82_A    36.535     0    0.031   0.148    40.801    0.000    0.000
LGA    F    83_A      F    83_A    31.177     0    0.036   1.414    33.118    0.000    0.000
LGA    N    84_A      N    84_A    30.704     0    0.039   0.201    32.608    0.000    0.000
LGA    A    85_A      A    85_A    33.742     0    0.045   0.045    35.784    0.000    0.000
LGA    F    86_A      F    86_A    31.047     0    0.030   1.369    33.940    0.000    0.000
LGA    L    87_A      L    87_A    26.594     0    0.047   1.174    28.188    0.000    0.000
LGA    R    88_A      R    88_A    28.807     0    0.047   0.689    35.423    0.000    0.000
LGA    E    89_A      E    89_A    30.542     0    0.107   1.366    33.818    0.000    0.000
LGA    L    90_A      L    90_A    25.942     0    0.062   0.280    27.437    0.000    0.000
LGA    G    91_A      G    91_A    23.692     0    0.541   0.541    24.686    0.000    0.000
LGA    P    92_A      P    92_A    19.990     0    0.022   0.114    24.172    0.000    0.000
LGA    E    93_A      E    93_A    18.271     0    0.034   1.000    25.665    0.000    0.000
LGA    A    94_A      A    94_A    14.480     0    0.055   0.055    16.473    0.000    0.000
LGA    V    95_A      V    95_A    12.545     0    0.040   0.197    17.250    0.714    0.408
LGA    E    96_A      E    96_A     9.129     0    0.057   0.924    10.883    9.405    4.656
LGA    L    97_A      L    97_A     8.195     0    0.055   0.183    12.450   11.548    5.774
LGA    V    98_A      V    98_A     4.033     0    0.502   1.284     6.271   34.762   33.810
LGA    S    99_A      S    99_A     5.517     0    0.104   0.111     6.854   25.833   25.317
LGA    T   100_A      T   100_A     4.837     0    0.030   1.200     7.842   27.500   25.850
LGA    F   101_A      F   101_A     4.853     0    0.583   1.357    10.753   31.548   18.961
LGA    T   102_A      T   102_A     8.061     0    0.102   0.256    11.923    5.952    3.401
LGA    Q   103_A      Q   103_A    11.680     0    0.030   1.183    17.317    0.119    0.053
LGA    Q   104_A      Q   104_A     9.818     0    0.074   1.339    13.618    1.786    0.847
LGA    F   105_A      F   105_A     5.429     0    0.046   0.891    10.972   19.405   12.511
LGA    V   106_A      V   106_A     9.689     0    0.044   1.046    14.580    1.310    0.748
LGA    D   107_A      D   107_A    13.112     0    0.104   0.114    16.567    0.000    0.000
LGA    V   108_A      V   108_A    10.660     0    0.047   0.929    10.776    0.119    0.340
LGA    I   109_A      I   109_A     7.319     0    0.024   1.414     8.885    5.119   15.119
LGA    R   110_A      R   110_A    12.189     0    0.061   1.441    21.825    0.000    0.000
LGA    G   111_A      G   111_A    15.538     0    0.148   0.148    16.470    0.000    0.000
LGA    D   112_A      D   112_A    13.332     0    0.545   1.341    16.654    0.000    0.000
LGA    P   113_A      P   113_A     9.415     0    0.033   0.455    10.974    1.071    0.816
LGA    Q   114_A      Q   114_A    12.960     0    0.087   1.204    21.839    0.000    0.000
LGA    A   115_A      A   115_A    13.346     0    0.023   0.034    14.811    0.000    0.000
LGA    V   116_A      V   116_A     8.237     0    0.022   0.072     9.933    7.143    9.728
LGA    A   117_A      A   117_A     6.410     0    0.031   0.040     7.641   15.476   13.810
LGA    E   118_A      E   118_A     9.522     0    0.042   0.623    16.750    1.905    0.847
LGA    H   119_A      H   119_A     9.962     0    0.043   1.328    18.562    2.143    0.857
LGA    L   120_A      L   120_A     5.954     0    0.691   0.796    11.309   37.738   20.298
LGA    N   121_A      N   121_A     2.373     0    0.416   0.947     4.166   59.881   60.774
LGA    I   122_A      I   122_A     2.277     0    0.193   1.173     7.835   54.524   40.119
LGA    S   123_A      S   123_A     3.731     0    0.689   0.903     6.728   59.524   45.476
LGA    L   124_A      L   124_A     1.781     0    0.123   1.368     3.450   70.833   66.012
LGA    E   125_A      E   125_A     1.988     0    0.059   0.109     2.973   68.810   64.021
LGA    D   126_A      D   126_A     2.279     0    0.084   0.167     2.860   64.762   61.905
LGA    V   127_A      V   127_A     2.136     0    0.044   1.235     3.108   68.810   66.122
LGA    A   128_A      A   128_A     1.402     0    0.039   0.045     1.677   79.286   79.714
LGA    R   129_A      R   129_A     1.719     0    0.040   1.124     8.639   72.857   43.550
LGA    L   130_A      L   130_A     2.078     0    0.036   0.127     2.317   68.810   66.786
LGA    A   131_A      A   131_A     1.622     0    0.019   0.037     1.820   72.857   74.571
LGA    E   132_A      E   132_A     1.840     0    0.028   0.717     3.089   68.810   62.487
LGA    A   133_A      A   133_A     2.529     0    0.026   0.038     2.765   59.048   58.667
LGA    G   134_A      G   134_A     2.410     0    0.032   0.032     2.498   64.762   64.762
LGA    E   135_A      E   135_A     2.318     0    0.035   1.298     6.122   64.762   51.852
LGA    A   136_A      A   136_A     2.486     0    0.044   0.047     2.968   60.952   61.714
LGA    A   137_A      A   137_A     2.911     0    0.023   0.039     3.027   55.357   54.286
LGA    I   138_A      I   138_A     2.764     0    0.039   1.347     4.893   57.143   53.393
LGA    E   139_A      E   139_A     3.024     0    0.080   1.070     3.810   51.786   52.434
LGA    R   140_A      R   140_A     3.117     0    0.208   1.173     7.752   48.333   36.320
LGA    G   141_A      G   141_A     2.474     0    0.089   0.089     2.513   64.881   64.881
LGA    E   142_A      E   142_A     2.104     0    0.715   0.943     4.175   61.429   56.085
LGA    G   143_A      G   143_A     2.332     0    0.080   0.080     2.332   72.976   72.976
LGA    A   144_A      A   144_A     2.279     0    0.036   0.042     2.971   68.810   66.476
LGA    S   145_A      S   145_A     1.622     0    0.043   0.060     2.893   81.667   76.111
LGA    L   146_A      L   146_A     0.897     0    0.567   1.385     4.357   82.262   72.083
LGA    G   147_A      G   147_A     2.707     0    0.079   0.079     2.801   57.143   57.143
LGA    V   148_A      V   148_A     3.364     0    0.023   0.182     4.595   50.000   43.673
LGA    H   149_A      H   149_A     3.633     0    0.059   0.986     6.094   48.333   37.667
LGA    R   150_A      R   150_A     3.278     0    0.046   1.108    13.397   50.000   24.675
LGA    E   151_A      E   151_A     3.646     0    0.045   0.771     4.411   45.000   43.439
LGA    L   152_A      L   152_A     3.743     0    0.099   0.859     8.012   46.667   31.488
LGA    R   153_A      R   153_A     3.106     0    0.043   0.113     5.558   53.571   42.381
LGA    R   154_A      R   154_A     2.791     0    0.045   1.326     5.978   57.143   46.104
LGA    I   155_A      I   155_A     3.365     0    0.035   0.111     5.325   50.000   40.774
LGA    E   156_A      E   156_A     3.520     0    0.045   1.244     7.972   48.333   34.709
LGA    A   157_A      A   157_A     3.282     0    0.050   0.050     3.881   50.000   48.667
LGA    R   158_A      R   158_A     3.463     0    0.075   1.301     6.640   48.333   35.714
LGA    R   159_A      R   159_A     3.294     0    0.581   0.520     9.439   53.571   29.567
LGA    N   160_A      N   160_A     4.304     0    0.439   0.590     7.679   47.262   33.274
LGA    S   161_A      S   161_A     3.242     0    0.069   0.532     6.043   43.690   37.222

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      151     604    604  100.00    1194   1194  100.00               151
SUMMARY(RMSD_GDC):    13.425         13.369                 14.102           19.518   16.874

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  164  151    4.0     44    2.73    25.828    23.449     1.553

LGA_LOCAL      RMSD:   2.733  Number of atoms:   44  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.382  Number of assigned atoms:  151 
Std_ASGN_ATOMS RMSD:  13.425  Standard rmsd on all 151 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.745146 * X  +   0.453088 * Y  +  -0.489356 * Z  +  18.295603
  Y_new =  -0.021125 * X  +  -0.749443 * Y  +  -0.661732 * Z  +  12.387320
  Z_new =  -0.666567 * X  +  -0.482749 * Y  +   0.568016 * Z  + -21.592365 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.113250  0.729594 -0.704428   [DEG: -178.3761   41.8026  -40.3608 ]
ZXZ: -0.636752  0.966703 -2.197601   [DEG:  -36.4832   55.3880 -125.9133 ]
 
# END of job
