
#######################################################
#                                                     #
#                        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  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , 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:    87       3_A - 89_A        4.98     8.76
  LONGEST_CONTINUOUS_SEGMENT:    87       4_A - 90_A        5.00     8.65
  LCS_AVERAGE:     48.78

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25       3_A - 27_A        1.86    10.56
  LONGEST_CONTINUOUS_SEGMENT:    25       4_A - 28_A        1.80    10.06
  LCS_AVERAGE:     10.66

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18       9_A - 26_A        0.99    11.61
  LONGEST_CONTINUOUS_SEGMENT:    18      10_A - 27_A        0.88    11.58
  LCS_AVERAGE:      7.35

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
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     A     1_A     A     1_A      4    4   84      3    4    4    4   12   15   19   23   30   43   48   54   65   73   85   95  100  106  111  115 
LCS_GDT     S     2_A     S     2_A      4   21   86      3    4    4   13   22   29   41   57   66   75   91   97   99  103  108  112  115  119  122  124 
LCS_GDT     R     3_A     R     3_A      4   25   87      3    4    4    4    8   36   46   57   64   72   79   87   97  103  108  112  115  119  120  123 
LCS_GDT     I     4_A     I     4_A     15   25   87      3    5   14   24   34   46   56   67   76   84   91   97   99  103  111  114  118  120  122  124 
LCS_GDT     D     5_A     D     5_A     15   25   87      6   11   18   26   35   50   56   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E     6_A     E     6_A     15   25   87      6   11   18   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K     7_A     K     7_A     15   25   87      6   11   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S     8_A     S     8_A     15   25   87      6   11   21   26   36   50   59   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S     9_A     S     9_A     18   25   87      6   11   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    10_A     K    10_A     18   25   87      6   14   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     A    11_A     A    11_A     18   25   87      5   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    12_A     K    12_A     18   25   87      5   14   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     V    13_A     V    13_A     18   25   87      9   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     N    14_A     N    14_A     18   25   87      9   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     D    15_A     D    15_A     18   25   87      9   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     F    16_A     F    16_A     18   25   87      8   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L    17_A     L    17_A     18   25   87      6   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     A    18_A     A    18_A     18   25   87      9   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    19_A     E    19_A     18   25   87      9   15   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I    20_A     I    20_A     18   25   87      9   15   18   25   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     F    21_A     F    21_A     18   25   87      9   15   18   25   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    22_A     K    22_A     18   25   87      9   15   18   25   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    23_A     K    23_A     18   25   87      9   15   18   21   32   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I    24_A     I    24_A     18   25   87      9   15   18   21   28   41   53   66   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     G    25_A     G    25_A     18   25   87      9   15   18   21   32   41   53   66   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S    26_A     S    26_A     18   25   87      9   15   18   21   32   39   51   62   77   85   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    27_A     K    27_A     18   25   87      3    7   18   21   32   42   56   69   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    28_A     E    28_A      3   25   87      3    3    6   13   34   46   56   69   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     N    29_A     N    29_A      3    4   87      3    3    4    4    5    5   16   28   33   57   65   77   89  100  108  112  117  120  122  124 
LCS_GDT     T    30_A     T    30_A      3    4   87      3    3    4   11   15   17   22   28   53   64   76   87   99  103  108  114  118  120  122  124 
LCS_GDT     K    31_A     K    31_A      4   15   87      3    4   13   25   35   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    32_A     E    32_A      4   15   87      3    4    6    9   15   18   27   44   53   63   75   86   97  103  108  114  118  120  122  124 
LCS_GDT     G    33_A     G    33_A     13   15   87      4    9   14   15   15   16   18   26   33   58   70   78   86  103  106  114  117  120  122  124 
LCS_GDT     L    34_A     L    34_A     13   15   87      7   12   14   15   31   43   53   69   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     A    35_A     A    35_A     13   15   87      8   12   14   20   34   43   58   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    36_A     E    36_A     13   15   87      8   12   14   25   34   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L    37_A     L    37_A     13   15   87      8   12   16   23   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     Y    38_A     Y    38_A     13   15   87      8   14   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    39_A     E    39_A     13   15   87      8   12   14   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     Y    40_A     Y    40_A     13   15   87      8   12   15   26   36   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    41_A     K    41_A     13   15   87      7   12   14   15   18   37   53   66   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    42_A     K    42_A     13   15   87      8   12   14   15   18   31   42   54   66   84   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    43_A     K    43_A     13   15   87      8   12   14   15   15   24   41   49   64   84   91   97   99  104  111  114  118  120  122  124 
LCS_GDT     Y    44_A     Y    44_A     13   15   87      8   12   14   15   15   17   23   30   39   65   77   82   92   99  108  114  118  120  122  124 
LCS_GDT     S    45_A     S    45_A     13   15   87      3    3    9   15   15   17   18   23   28   31   36   52   63   77   85   89  109  111  120  121 
LCS_GDT     D    46_A     D    46_A      5   15   87      5    5    6   16   30   43   56   68   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     A    47_A     A    47_A      5    7   87      5    5   14   26   35   50   56   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     D    48_A     D    48_A      5    7   87      5    5    9   19   33   46   56   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I    49_A     I    49_A      5    7   87      5    5    6    6    7   27   36   48   63   82   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    50_A     E    50_A      5    7   87      5    5    6    6    7    8   18   34   50   71   86   93   97  104  111  114  118  120  122  124 
LCS_GDT     P    51_A     P    51_A      4    6   87      4    4    6   12   24   33   45   57   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     F    52_A     F    52_A      4    6   87      4    4    9   14   26   32   45   57   71   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L    53_A     L    53_A      3    6   87      3    4   10   18   25   32   45   57   71   85   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K    54_A     K    54_A      3    5   87      3    7   16   21   33   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     N    55_A     N    55_A      3    5   87      1    3    3   18   25   31   44   56   67   80   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S    56_A     S    56_A      4    5   87      3    5   13   24   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S    57_A     S    57_A      4    5   87      3    4    4   22   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     Q    58_A     Q    58_A      4    5   87      3    4   16   24   35   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     F    59_A     F    59_A      4   18   87      3    4   13   15   32   40   50   64   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     F    60_A     F    60_A     16   18   87      8   11   16   17   25   31   42   48   59   80   86   93   96  102  108  114  118  120  122  124 
LCS_GDT     Q    61_A     Q    61_A     16   18   87      8   11   16   17   24   37   45   57   74   85   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S    62_A     S    62_A     16   18   87      8   11   16   17   23   32   42   57   71   80   86   95   98  103  108  114  118  120  122  124 
LCS_GDT     Y    63_A     Y    63_A     16   18   87      8   11   16   18   25   35   44   57   71   80   89   97  100  104  111  114  118  120  122  124 
LCS_GDT     V    64_A     V    64_A     16   18   87      8   11   16   26   35   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    65_A     E    65_A     16   18   87      8   11   16   26   35   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     R    66_A     R    66_A     16   18   87      8   11   16   26   35   50   59   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     G    67_A     G    67_A     16   18   87      8   11   18   26   35   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L    68_A     L    68_A     16   18   87      8   14   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     R    69_A     R    69_A     16   18   87      6   11   16   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     V    70_A     V    70_A     16   18   87      6   11   18   26   35   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I    71_A     I    71_A     16   18   87      6   11   17   24   34   44   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    72_A     E    72_A     16   18   87      4   11   17   26   36   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     M    73_A     M    73_A     16   18   87      6   14   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E    74_A     E    74_A     16   18   87      6   11   16   18   34   42   55   66   77   86   91   96  100  104  111  114  118  120  122  124 
LCS_GDT     R    75_A     R    75_A     16   18   87      4   11   18   21   26   32   45   53   65   75   85   93  100  104  111  114  118  120  122  124 
LCS_GDT     E    76_A     E    76_A      3   18   87      3    3   11   14   17   25   32   41   49   63   79   87   94  102  111  114  118  120  122  124 
LCS_GDT     G    77_A     G    77_A      4   18   87      4    4    6    8   12   18   32   42   50   63   82   88   95  104  111  114  118  120  122  124 
LCS_GDT     K    78_A     K    78_A      4    5   87      4    4    5    5   11   17   23   28   38   61   68   80   92  100  111  114  118  120  122  124 
LCS_GDT     G    79_A     G    79_A      4    5   87      4    4    5    7   12   18   27   39   55   67   91   97   99  103  111  114  118  120  122  124 
LCS_GDT     R    80_A     R    80_A      4    7   87      4   10   13   21   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I    81_A     I    81_A      4    7   87      3   13   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S    82_A     S    82_A      4    7   87      3   10   17   26   34   43   55   66   76   86   90   96  100  104  111  114  118  120  122  124 
LCS_GDT     T    83_A     T    83_A      4    7   87      3   13   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S    84_A     S    84_A      4    7   87      3    6   17   26   34   41   51   60   69   79   89   94  100  104  111  114  118  120  122  124 
LCS_GDT     T    85_A     T    85_A      5    7   87      3    4   11   21   26   32   45   53   65   74   82   89   99  104  111  114  118  120  122  124 
LCS_GDT     G    86_A     G    86_A      5    7   87      3    4    5   16   20   40   45   53   65   74   82   90   99  104  111  114  118  120  122  124 
LCS_GDT     I    87_A     I    87_A      5    7   87      3   11   15   20   34   40   45   53   65   74   82   89   99  104  111  114  118  120  122  124 
LCS_GDT     S    88_A     S    88_A      5    6   87      3    4    8   26   34   40   50   58   67   74   82   93  100  104  111  114  118  120  122  124 
LCS_GDT     P    89_A     P    89_A      5    6   87      3    4   15   26   34   40   50   58   67   74   82   93  100  104  111  114  118  120  122  124 
LCS_GDT     Q    90_A     Q    90_A      4    6   87      3    3    4    5    6   13   20   42   52   63   75   86   93   99  106  112  116  120  122  124 
LCS_GDT     M    91_A     M    91_A      4    4   59      3    3    4    4    4    5    8   10   11   18   19   25   32   56   99  103  113  118  122  124 
LCS_GDT     E    92_A     E    92_A      4    4   59      3    3    4    4    4    5    7    9   11   13   17   32   43   54   75   92  105  114  119  122 
LCS_GDT     V    93_A     V    93_A      4    7   48      3    3    4    6    8    9   11   13   17   22   28   33   38   58   76   85   92   99  105  113 
LCS_GDT     T    94_A     T    94_A      4    7   20      3    3    5    6    8    9   11   12   13   14   18   20   22   25   27   29   34   42   66   69 
LCS_GDT     C    95_A     C    95_A      6    7   20      3    5    7    7    7    8    9   12   13   14   16   17   20   27   28   31   34   39   66   69 
LCS_GDT     V    96_A     V    96_A      6    7   23      3    4    7    7    8    9   11   12   13   14   16   21   27   31   35   50   63   68   83   93 
LCS_GDT     P    97_A     P    97_A      6    7   25      3    5    7    7    8    9   12   23   32   46   60   71   83   94   99  101  107  114  119  122 
LCS_GDT     T    98_A     T    98_A      6    7   39      3    5    7    7    7    9   14   42   59   66   82   88   97  104  111  114  118  120  122  124 
LCS_GDT     P    99_A     P    99_A      6    7   39      3    5    7    7    7    9   11   32   45   59   85   93  100  104  111  114  118  120  122  124 
LCS_GDT     T   100_A     T   100_A      6    8   39      5    5    7   13   23   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S   101_A     S   101_A      6    8   39      5    6   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     T   102_A     T   102_A      6    8   39      5    5    9   20   33   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     V   103_A     V   103_A      6    8   39      5    6   11   20   31   49   59   72   81   86   91   97  100  103  111  114  118  120  122  124 
LCS_GDT     S   104_A     S   104_A      6    8   39      5    5    7   15   36   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S   105_A     S   105_A      6    8   39      3    4    7   15   31   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I   106_A     I   106_A      6    9   39      4    6    7   22   36   49   59   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     G   107_A     G   107_A      6    9   39      4    6    7   22   34   49   59   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     N   108_A     N   108_A      6    9   39      4    6   12   25   34   43   50   66   75   84   91   97   99  103  107  114  118  120  122  124 
LCS_GDT     T   109_A     T   109_A      6    9   39      4    6    6   19   32   37   45   54   60   67   77   91   98  102  105  109  111  117  121  124 
LCS_GDT     N   110_A     N   110_A      6    9   39      4    6    6    8    9    9   16   29   33   41   48   51   58   75   83   89   98  102  109  111 
LCS_GDT     G   111_A     G   111_A      6    9   39      4    6    6    8    9    9   11   25   33   42   48   63   68   75   87   94  101  112  115  116 
LCS_GDT     E   112_A     E   112_A      4    9   39      3    4   13   22   32   38   48   54   69   79   88   95   99  103  107  114  118  120  122  124 
LCS_GDT     E   113_A     E   113_A      4   21   39      3    4    5   13   17   37   58   69   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     V   114_A     V   114_A     17   22   39      4   11   18   26   35   50   58   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     G   115_A     G   115_A     17   22   39      4   10   18   26   35   46   57   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     P   116_A     P   116_A     17   22   39      6   12   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     S   117_A     S   117_A     17   22   39      6   14   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     V   118_A     V   118_A     17   22   39      5   12   18   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     Y   119_A     Y   119_A     17   22   39      5   13   21   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L   120_A     L   120_A     17   22   39      6   12   20   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     E   121_A     E   121_A     17   22   39      7   12   18   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     R   122_A     R   122_A     17   22   39      7   12   18   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L   123_A     L   123_A     17   22   39      7   12   18   26   36   50   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K   124_A     K   124_A     17   22   39      7   12   18   26   34   49   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     I   125_A     I   125_A     17   22   39      7   12   18   26   34   47   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L   126_A     L   126_A     17   22   39      6   12   18   26   34   43   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     R   127_A     R   127_A     17   22   39      6   12   18   26   34   43   59   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     Q   128_A     Q   128_A     17   22   39      7   12   18   26   34   43   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     R   129_A     R   129_A     17   22   39      7   12   18   26   34   43   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     C   130_A     C   130_A     17   22   39      7   12   18   26   34   43   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     G   131_A     G   131_A     16   22   39      5   10   17   26   34   45   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     L   132_A     L   132_A      4   22   39      3    5   13   14   22   27   41   52   61   72   80   93  100  104  111  114  118  120  122  124 
LCS_GDT     D   133_A     D   133_A      4   22   39      3    6   14   20   30   40   53   69   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     N   134_A     N   134_A      4   22   39      3    5    6    7    8   32   45   61   80   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     T   135_A     T   135_A      4   22   39      3    5    6    7   20   45   60   72   81   86   91   97  100  104  111  114  118  120  122  124 
LCS_GDT     K   136_A     K   136_A      4    5   39      3    4    4    5    5    5    7   27   48   68   80   85   93  102  107  113  118  120  122  124 
LCS_GDT     Q   137_A     Q   137_A      4    5   39      3    4    4    5    5    5    7    8    9   20   49   60   68   83   94  104  113  118  122  124 
LCS_GDT     D   138_A     D   138_A      4    5   28      3    4    4    5    5    5    6    7    8    9   11   11   11   17   26   32   39   44   82   88 
LCS_GDT     D   139_A     D   139_A      3    4   11      3    3    3    3    4    5    6    7    8    8    8    8    9   10   11   11   12   13   14   14 
LCS_GDT     R   140_A     R   140_A      3    4    9      3    3    3    3    4    5    6    7    8    8    8    8    8   10   11   11   12   13   14   14 
LCS_GDT     P   141_A     P   141_A      3    3    9      3    3    3    3    3    3    4    7    8    8    8    8    8   10   11   11   12   13   14   14 
LCS_AVERAGE  LCS_A:  22.26  (   7.35   10.66   48.78 )

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      9     15     21     26     36     50     60     72     81     86     91     97    100    104    111    114    118    120    122    124 
GDT PERCENT_AT   6.38  10.64  14.89  18.44  25.53  35.46  42.55  51.06  57.45  60.99  64.54  68.79  70.92  73.76  78.72  80.85  83.69  85.11  86.52  87.94
GDT RMS_LOCAL    0.20   0.61   0.99   1.22   1.70   2.22   2.53   2.80   3.02   3.18   3.38   3.61   3.90   4.16   4.46   4.59   4.77   4.85   4.97   5.13
GDT RMS_ALL_AT  13.59  12.10   8.49   8.48   8.51   8.69   8.25   8.39   8.45   8.33   8.43   8.64   8.01   7.92   7.92   7.95   7.92   7.93   7.96   7.94

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  D   138_A      D   138_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    13.194     0    0.694   0.651    14.604    0.714    0.571
LGA    S     2_A      S     2_A     7.682     0    0.100   0.674     9.782    3.214   10.238
LGA    R     3_A      R     3_A     8.890     0    0.638   0.559    19.463    5.000    1.818
LGA    I     4_A      I     4_A     5.315     0    0.588   1.426     7.325   18.690   31.905
LGA    D     5_A      D     5_A     3.784     0    0.110   0.982     5.152   45.000   39.702
LGA    E     6_A      E     6_A     2.822     0    0.055   0.105     3.305   59.167   55.661
LGA    K     7_A      K     7_A     2.169     0    0.011   0.854     5.867   64.762   50.370
LGA    S     8_A      S     8_A     3.267     0    0.011   0.077     4.262   51.786   46.905
LGA    S     9_A      S     9_A     2.854     0    0.042   0.740     3.640   57.143   54.841
LGA    K    10_A      K    10_A     2.097     0    0.104   0.952     3.089   64.762   67.989
LGA    A    11_A      A    11_A     2.800     0    0.012   0.017     3.394   57.143   55.714
LGA    K    12_A      K    12_A     2.202     0    0.013   0.980     5.894   68.810   52.169
LGA    V    13_A      V    13_A     2.070     0    0.055   0.902     2.574   68.810   63.810
LGA    N    14_A      N    14_A     2.167     0    0.041   1.114     3.470   66.786   62.083
LGA    D    15_A      D    15_A     1.809     0    0.029   0.985     3.900   75.119   65.476
LGA    F    16_A      F    16_A     1.085     0    0.029   0.246     1.346   83.690   88.052
LGA    L    17_A      L    17_A     1.374     0    0.027   1.449     5.170   79.286   62.083
LGA    A    18_A      A    18_A     1.866     0    0.098   0.107     2.062   72.857   71.238
LGA    E    19_A      E    19_A     0.889     0    0.040   0.183     2.313   81.548   77.831
LGA    I    20_A      I    20_A     1.705     0    0.041   0.658     3.536   69.048   66.250
LGA    F    21_A      F    21_A     2.737     0    0.023   1.340     7.736   57.262   38.658
LGA    K    22_A      K    22_A     2.695     0    0.048   0.987     5.044   55.357   56.508
LGA    K    23_A      K    23_A     3.232     0    0.039   0.744     4.306   46.905   50.212
LGA    I    24_A      I    24_A     4.327     0    0.031   0.692     6.903   34.524   30.774
LGA    G    25_A      G    25_A     4.658     0    0.185   0.185     4.777   32.857   32.857
LGA    S    26_A      S    26_A     5.084     0    0.550   0.518     6.054   25.238   25.556
LGA    K    27_A      K    27_A     4.415     0    0.585   0.756    10.838   51.786   29.947
LGA    E    28_A      E    28_A     4.347     0    0.050   1.036     8.535   26.190   18.995
LGA    N    29_A      N    29_A     9.040     0    0.592   1.205    13.736    6.429    3.214
LGA    T    30_A      T    30_A     7.273     0    0.617   1.261     9.496   12.143    9.592
LGA    K    31_A      K    31_A     2.992     0    0.612   1.303     6.297   36.786   39.735
LGA    E    32_A      E    32_A     7.630     0    0.046   1.252     9.167    9.048    6.667
LGA    G    33_A      G    33_A     8.220     0    0.552   0.552     8.220   12.619   12.619
LGA    L    34_A      L    34_A     4.330     0    0.103   0.198     5.965   43.333   35.536
LGA    A    35_A      A    35_A     4.033     0    0.078   0.085     5.359   45.357   41.524
LGA    E    36_A      E    36_A     2.900     0    0.051   0.100     5.645   59.524   43.598
LGA    L    37_A      L    37_A     2.740     0    0.049   0.089     5.101   61.071   47.143
LGA    Y    38_A      Y    38_A     1.404     0    0.023   0.159     5.335   73.214   56.667
LGA    E    39_A      E    39_A     2.210     0    0.016   0.098     4.316   63.095   57.619
LGA    Y    40_A      Y    40_A     3.033     0    0.046   1.455    11.258   45.833   27.262
LGA    K    41_A      K    41_A     4.556     0    0.062   0.857     8.986   29.524   21.958
LGA    K    42_A      K    42_A     5.512     0    0.035   0.645     7.674   21.905   18.730
LGA    K    43_A      K    43_A     5.802     0    0.079   0.670     7.658   17.024   32.751
LGA    Y    44_A      Y    44_A     7.927     0    0.524   0.662     9.559    5.952   17.143
LGA    S    45_A      S    45_A    10.576     0    0.281   0.552    13.828    2.024    1.349
LGA    D    46_A      D    46_A     4.083     0    0.311   0.854     5.972   39.643   50.417
LGA    A    47_A      A    47_A     3.985     0    0.124   0.142     4.932   38.810   38.476
LGA    D    48_A      D    48_A     4.037     0    0.042   0.847     5.376   34.524   36.667
LGA    I    49_A      I    49_A     5.963     0    0.607   0.592     9.068   22.857   14.762
LGA    E    50_A      E    50_A     7.885     0    0.020   1.342    13.619    9.405    4.392
LGA    P    51_A      P    51_A     5.089     0    0.400   0.602     5.356   26.190   27.755
LGA    F    52_A      F    52_A     5.522     0    0.596   1.252     8.339   17.381   15.368
LGA    L    53_A      L    53_A     5.876     0    0.200   0.430     9.986   25.119   15.417
LGA    K    54_A      K    54_A     2.946     0    0.642   1.151     5.549   47.262   46.878
LGA    N    55_A      N    55_A     5.512     0    0.572   0.780     9.419   33.333   18.631
LGA    S    56_A      S    56_A     1.687     0    0.628   0.775     2.628   65.000   64.921
LGA    S    57_A      S    57_A     2.298     0    0.637   0.812     5.833   73.095   60.635
LGA    Q    58_A      Q    58_A     2.554     0    0.241   0.259     4.212   53.571   49.471
LGA    F    59_A      F    59_A     5.140     0    0.615   1.427     7.043   22.619   25.931
LGA    F    60_A      F    60_A     8.715     0    0.644   1.545    15.484    9.048    3.290
LGA    Q    61_A      Q    61_A     6.073     0    0.037   0.728     7.065   17.619   23.968
LGA    S    62_A      S    62_A     7.843     0    0.016   0.669     9.533   10.357    7.778
LGA    Y    63_A      Y    63_A     6.868     0    0.026   0.140     9.703   20.238    9.365
LGA    V    64_A      V    64_A     3.397     0    0.019   1.128     4.702   54.762   56.054
LGA    E    65_A      E    65_A     3.096     0    0.034   0.907     4.777   53.690   42.593
LGA    R    66_A      R    66_A     3.980     0    0.053   1.242    11.738   48.452   22.381
LGA    G    67_A      G    67_A     3.143     0    0.061   0.061     3.143   55.476   55.476
LGA    L    68_A      L    68_A     1.357     0    0.017   0.155     3.558   79.286   69.405
LGA    R    69_A      R    69_A     1.054     0    0.044   1.370    10.747   92.976   50.909
LGA    V    70_A      V    70_A     2.355     0    0.104   1.114     5.325   65.119   58.503
LGA    I    71_A      I    71_A     3.877     0    0.063   0.675     5.518   43.452   34.881
LGA    E    72_A      E    72_A     3.179     0    0.139   0.881     5.132   51.905   42.804
LGA    M    73_A      M    73_A     1.220     0    0.056   0.865     5.482   67.143   58.214
LGA    E    74_A      E    74_A     5.108     0    0.202   0.282     8.989   23.452   14.550
LGA    R    75_A      R    75_A     7.665     0    0.567   0.762    12.234   10.357    4.632
LGA    E    76_A      E    76_A     9.478     0    0.045   1.022    16.966    3.452    1.534
LGA    G    77_A      G    77_A     7.576     0    0.081   0.081     8.684    6.071    6.071
LGA    K    78_A      K    78_A     7.657     0    0.522   1.094     9.792   10.952    6.720
LGA    G    79_A      G    79_A     6.073     0    0.090   0.090     6.553   24.762   24.762
LGA    R    80_A      R    80_A     2.475     0    0.572   1.017     3.798   61.667   64.675
LGA    I    81_A      I    81_A     2.140     0    0.643   0.974     7.200   63.333   48.095
LGA    S    82_A      S    82_A     5.569     0    0.033   0.597    10.218   36.548   25.159
LGA    T    83_A      T    83_A     2.361     0    0.193   0.946     5.500   48.690   43.265
LGA    S    84_A      S    84_A     8.062     0    0.290   0.667    10.155    5.833    4.206
LGA    T    85_A      T    85_A    11.367     0    0.205   1.106    12.293    0.119    0.068
LGA    G    86_A      G    86_A    11.041     0    0.284   0.284    12.850    0.000    0.000
LGA    I    87_A      I    87_A    12.246     0    0.428   1.348    16.377    0.000    0.000
LGA    S    88_A      S    88_A    10.433     0    0.609   0.603    11.813    0.000    0.000
LGA    P    89_A      P    89_A    10.863     0    0.588   0.562    13.249    0.000    0.000
LGA    Q    90_A      Q    90_A    14.346     0    0.604   1.164    18.908    0.000    0.000
LGA    M    91_A      M    91_A    13.410     0    0.103   0.694    15.980    0.000    0.000
LGA    E    92_A      E    92_A    17.061     0    0.245   1.058    20.283    0.000    0.000
LGA    V    93_A      V    93_A    22.046     0    0.608   0.928    24.790    0.000    0.000
LGA    T    94_A      T    94_A    25.561     0    0.632   0.592    27.836    0.000    0.000
LGA    C    95_A      C    95_A    27.983     0    0.328   0.310    31.519    0.000    0.000
LGA    V    96_A      V    96_A    23.564     0    0.350   1.157    25.061    0.000    0.000
LGA    P    97_A      P    97_A    17.112     0    0.271   0.532    21.128    0.000    0.000
LGA    T    98_A      T    98_A    11.635     0    0.112   0.920    13.168    0.833    0.476
LGA    P    99_A      P    99_A     8.571     0    0.600   0.804    12.491    5.952    3.469
LGA    T   100_A      T   100_A     3.569     0    0.601   1.410     4.737   55.238   56.122
LGA    S   101_A      S   101_A     1.958     0    0.091   0.622     2.737   77.738   72.143
LGA    T   102_A      T   102_A     2.551     0    0.023   1.064     6.374   59.286   46.122
LGA    V   103_A      V   103_A     3.366     0    0.057   0.077     4.617   51.905   47.483
LGA    S   104_A      S   104_A     2.634     0    0.699   0.594     4.940   50.833   54.206
LGA    S   105_A      S   105_A     3.096     0    0.172   0.718     5.672   67.619   54.841
LGA    I   106_A      I   106_A     3.129     0    0.117   1.117     5.646   48.333   38.869
LGA    G   107_A      G   107_A     3.407     0    0.507   0.507     3.407   51.786   51.786
LGA    N   108_A      N   108_A     6.810     0    0.024   1.174    10.157   10.714    6.190
LGA    T   109_A      T   109_A    10.439     0    0.161   1.142    12.010    0.714    1.020
LGA    N   110_A      N   110_A    15.965     0    0.283   0.265    21.003    0.000    0.000
LGA    G   111_A      G   111_A    14.316     0    0.187   0.187    14.763    0.000    0.000
LGA    E   112_A      E   112_A     7.881     0    0.233   0.929    10.249   12.500    7.725
LGA    E   113_A      E   113_A     4.583     0    0.065   1.091    10.360   37.500   20.688
LGA    V   114_A      V   114_A     4.056     0    0.595   1.325     8.509   46.905   32.109
LGA    G   115_A      G   115_A     4.026     0    0.046   0.046     4.194   45.357   45.357
LGA    P   116_A      P   116_A     2.701     0    0.055   0.079     4.314   65.357   55.102
LGA    S   117_A      S   117_A     0.653     0    0.090   0.620     2.337   90.595   86.270
LGA    V   118_A      V   118_A     1.681     0    0.052   0.789     4.728   79.286   64.150
LGA    Y   119_A      Y   119_A     1.649     0    0.022   1.189    12.366   79.286   36.468
LGA    L   120_A      L   120_A     1.492     0    0.020   0.096     3.273   79.286   69.226
LGA    E   121_A      E   121_A     1.702     0    0.009   0.082     2.339   72.976   72.011
LGA    R   122_A      R   122_A     1.819     0    0.054   0.780     4.444   70.833   64.762
LGA    L   123_A      L   123_A     1.744     0    0.060   1.442     5.003   70.952   62.143
LGA    K   124_A      K   124_A     2.409     0    0.061   0.897     4.555   59.167   57.725
LGA    I   125_A      I   125_A     3.126     0    0.013   0.045     3.973   48.452   50.179
LGA    L   126_A      L   126_A     3.795     0    0.051   1.002     4.689   41.905   43.631
LGA    R   127_A      R   127_A     3.934     0    0.020   1.086     5.889   40.238   39.654
LGA    Q   128_A      Q   128_A     3.939     0    0.081   1.166     7.787   40.238   33.069
LGA    R   129_A      R   129_A     3.842     0    0.067   1.263     6.820   43.333   36.883
LGA    C   130_A      C   130_A     3.719     0    0.121   0.134     4.289   41.786   42.302
LGA    G   131_A      G   131_A     3.512     0    0.660   0.660     7.488   29.524   29.524
LGA    L   132_A      L   132_A     7.871     0    0.661   0.569    13.985   14.762    7.381
LGA    D   133_A      D   133_A     4.644     0    0.067   0.554     5.879   33.333   41.071
LGA    N   134_A      N   134_A     4.973     0    0.591   1.198    10.451   40.833   23.512
LGA    T   135_A      T   135_A     3.289     0    0.394   0.404     6.396   32.619   35.034
LGA    K   136_A      K   136_A     9.279     0    0.058   1.551    13.028    3.095    1.376
LGA    Q   137_A      Q   137_A    12.317     0    0.647   1.018    16.619    0.000    0.265
LGA    D   138_A      D   138_A    18.309     0    0.522   0.757    21.120    0.000    0.000
LGA    D   139_A      D   139_A    22.335     0    0.019   0.765    24.859    0.000    0.000
LGA    R   140_A      R   140_A    26.651     0    0.056   1.370    31.827    0.000    0.000
LGA    P   141_A      P   141_A    24.418     0    0.111   0.404    27.796    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):     7.724          7.710                  8.390           36.475   32.062

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     72    2.80    40.248    34.779     2.484

LGA_LOCAL      RMSD:   2.799  Number of atoms:   72  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.389  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:   7.724  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.368056 * X  +   0.049760 * Y  +  -0.928471 * Z  +   7.331865
  Y_new =   0.250631 * X  +  -0.966915 * Y  +   0.047533 * Z  +  25.324554
  Z_new =  -0.895387 * X  +  -0.250198 * Y  +  -0.368351 * Z  +  39.409191 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.597831  1.109301 -2.544937   [DEG:   34.2532   63.5582 -145.8141 ]
ZXZ: -1.621946  1.948031 -1.843276   [DEG:  -92.9307  111.6139 -105.6120 ]
 
# END of job
