
#######################################################
#                                                     #
#                        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:    48      19_A - 66_A        4.99    21.08
  LONGEST_CONTINUOUS_SEGMENT:    48      20_A - 67_A        4.96    20.67
  LONGEST_CONTINUOUS_SEGMENT:    48      22_A - 69_A        4.92    20.31
  LONGEST_CONTINUOUS_SEGMENT:    48      23_A - 70_A        4.88    20.05
  LCS_AVERAGE:     24.50

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      53_A - 76_A        1.98    16.05
  LONGEST_CONTINUOUS_SEGMENT:    24      54_A - 77_A        1.90    15.57
  LCS_AVERAGE:     13.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      91_A - 110_A       0.92    25.09
  LCS_AVERAGE:      9.61

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   32      3    3    4   14   19   24   30   35   39   43   46   49   53   56   58   61   63   67   68   72 
LCS_GDT     A    12_A     A    12_A      4   19   32      3    6   11   18   23   24   30   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     V    13_A     V    13_A      8   19   32      3    8   13   18   23   24   30   35   39   43   46   49   53   56   58   61   63   71   80   83 
LCS_GDT     E    14_A     E    14_A      8   19   32      6    8   13   18   23   24   30   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     D    15_A     D    15_A      8   19   32      6    9   13   16   17   24   30   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     F    16_A     F    16_A      8   19   32      6    8   13   16   19   24   30   35   39   43   46   49   53   56   58   64   71   75   80   83 
LCS_GDT     L    17_A     L    17_A      8   19   32      6    8   13   16   17   21   30   35   39   43   46   49   53   56   58   62   71   75   80   83 
LCS_GDT     R    18_A     R    18_A     12   19   32      6    8   13   18   23   24   30   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     V    19_A     V    19_A     12   19   48      6   10   13   16   17   24   30   35   39   43   46   49   53   56   58   61   66   74   80   83 
LCS_GDT     H    20_A     H    20_A     12   19   48      6   10   13   16   19   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     S    21_A     S    21_A     12   19   48      6   10   13   16   19   24   30   35   39   43   46   49   53   56   58   62   65   72   80   83 
LCS_GDT     E    22_A     E    22_A     12   19   48      4   10   13   16   17   23   30   35   39   43   46   49   53   56   58   61   66   74   80   83 
LCS_GDT     L    23_A     L    23_A     12   19   48      5   10   13   16   19   24   27   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     V    24_A     V    24_A     12   19   48      6   10   13   16   19   24   27   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     H    25_A     H    25_A     12   19   48      6   10   13   16   19   24   30   35   39   43   46   49   53   56   59   66   71   75   80   83 
LCS_GDT     R    26_A     R    26_A     12   19   48      6   10   13   16   19   24   27   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     L    27_A     L    27_A     12   19   48      6   10   13   16   19   22   26   33   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     A    28_A     A    28_A     12   19   48      5   10   13   16   19   22   26   33   38   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     G    29_A     G    29_A     12   19   48      4    9   11   14   19   22   26   32   38   42   46   49   53   55   60   67   72   75   80   83 
LCS_GDT     D    30_A     D    30_A      5    9   48      3    4    6    9   10   14   18   23   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     P    31_A     P    31_A      5   20   48      3    4    6   13   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     P    32_A     P    32_A      5   20   48      3    4    6    7   10   15   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     D    33_A     D    33_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     E    34_A     E    34_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     L    35_A     L    35_A     17   20   48     14   16   17   17   17   18   19   21   29   33   40   45   52   54   59   66   71   74   80   83 
LCS_GDT     F    36_A     F    36_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     Q    37_A     Q    37_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     R    38_A     R    38_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     L    39_A     L    39_A     17   20   48     14   16   17   17   17   18   19   21   29   36   41   46   52   54   60   67   72   75   80   83 
LCS_GDT     D    40_A     D    40_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     R    41_A     R    41_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     F    42_A     F    42_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     V    43_A     V    43_A     17   20   48     14   16   17   17   17   18   19   21   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     T    44_A     T    44_A     17   20   48     14   16   17   17   17   18   19   21   26   34   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     D    45_A     D    45_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     A    46_A     A    46_A     17   20   48     14   16   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     I    47_A     I    47_A     17   20   48      5   16   17   17   17   18   19   21   26   28   34   42   49   54   58   67   72   75   78   83 
LCS_GDT     I    48_A     I    48_A     17   20   48     13   16   17   17   17   18   19   21   26   34   41   46   52   55   60   67   72   75   80   83 
LCS_GDT     E    49_A     E    49_A     17   20   48      4   12   17   17   17   18   19   22   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     G    50_A     G    50_A      3   20   48      2    4    4    4    7   13   19   22   29   36   41   46   52   54   59   67   72   75   80   83 
LCS_GDT     N    51_A     N    51_A      3   19   48      0    4    4    7   13   16   19   23   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     P    52_A     P    52_A      4   19   48      4    4    8   13   16   23   26   27   31   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     E    53_A     E    53_A      4   24   48      4    4    4    7   12   17   21   25   31   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     R    54_A     R    54_A     14   24   48      4    9   14   19   22   24   26   28   32   38   44   47   53   56   60   67   72   75   80   83 
LCS_GDT     R    55_A     R    55_A     16   24   48      5   12   19   22   22   24   26   33   36   39   44   48   53   56   60   67   72   75   80   83 
LCS_GDT     D    56_A     D    56_A     16   24   48      5   12   19   22   22   24   29   33   36   41   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     E    57_A     E    57_A     16   24   48      5   12   19   22   23   24   29   33   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     I    58_A     I    58_A     17   24   48      5   12   19   22   23   24   29   33   36   42   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     K    59_A     K    59_A     18   24   48      5   12   19   22   22   24   29   33   36   42   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     A    60_A     A    60_A     18   24   48      5   12   19   22   23   24   29   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     D    61_A     D    61_A     18   24   48      4   12   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     L    62_A     L    62_A     18   24   48      4   12   19   22   23   24   29   34   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     A    63_A     A    63_A     18   24   48      9   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     R    64_A     R    64_A     18   24   48     10   13   18   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     A    65_A     A    65_A     18   24   48     10   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     A    66_A     A    66_A     18   24   48     10   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     R    67_A     R    67_A     18   24   48     10   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     V    68_A     V    68_A     18   24   48     10   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     F    69_A     F    69_A     18   24   48     10   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     G    70_A     G    70_A     18   24   48     10   13   19   22   23   24   30   35   39   43   46   49   53   56   59   67   72   75   80   83 
LCS_GDT     E    71_A     E    71_A     18   24   45     10   13   19   22   23   24   30   34   39   43   46   49   53   56   58   66   72   75   80   83 
LCS_GDT     A    72_A     A    72_A     18   24   39     10   13   19   22   23   24   30   34   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     L    73_A     L    73_A     18   24   39     10   13   19   22   23   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     E    74_A     E    74_A     18   24   39      9   13   19   22   23   24   30   34   39   43   46   49   53   56   58   61   69   75   80   83 
LCS_GDT     R    75_A     R    75_A     18   24   39      9   13   17   22   23   24   30   33   37   42   45   49   53   56   58   64   69   75   80   83 
LCS_GDT     D    76_A     D    76_A     18   24   39      4    4   17   22   23   24   29   33   36   38   43   47   52   55   58   67   72   75   80   83 
LCS_GDT     I    77_A     I    77_A      4   24   39      4    6    6   14   19   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     T    78_A     T    78_A      4   23   39      4    6   11   15   19   24   30   35   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     T    79_A     T    79_A      4   21   37      3    6   11   15   19   24   30   34   39   43   46   49   53   56   60   67   72   75   80   83 
LCS_GDT     P    80_A     P    80_A     11   13   32      5    8   11   12   15   19   20   24   29   35   37   40   47   51   57   61   63   69   71   76 
LCS_GDT     E    81_A     E    81_A     11   13   32      5    8   11   12   12   13   14   23   26   30   35   38   40   44   47   58   64   75   77   83 
LCS_GDT     D    82_A     D    82_A     11   13   32      5    8   11   12   12   13   15   17   21   24   27   31   39   44   60   67   72   75   80   83 
LCS_GDT     F    83_A     F    83_A     11   13   32      5    8   11   12   12   13   15   17   21   22   32   35   38   46   55   67   72   75   80   83 
LCS_GDT     N    84_A     N    84_A     11   13   32      8    8   11   12   12   13   14   17   25   29   32   37   40   44   59   67   72   75   80   83 
LCS_GDT     A    85_A     A    85_A     11   13   28      8    8   11   12   12   13   14   15   18   24   29   38   51   55   60   67   72   75   80   83 
LCS_GDT     F    86_A     F    86_A     11   13   28      8    8   11   12   12   13   14   15   18   24   32   33   51   55   60   67   72   75   80   83 
LCS_GDT     L    87_A     L    87_A     11   13   28      8    8   11   12   12   13   14   16   21   28   32   38   51   55   60   67   72   75   80   83 
LCS_GDT     R    88_A     R    88_A     11   13   28      8    8   11   12   12   15   20   27   29   31   32   37   44   50   57   66   72   75   78   83 
LCS_GDT     E    89_A     E    89_A     11   13   28      8    8   11   12   12   13   14   20   24   26   28   33   39   48   54   59   68   75   78   83 
LCS_GDT     L    90_A     L    90_A     11   22   28      8    8   11   13   16   18   22   22   26   29   32   36   44   51   60   67   72   75   80   83 
LCS_GDT     G    91_A     G    91_A     20   22   28      8   16   19   20   21   21   23   27   29   31   32   36   44   50   54   64   72   75   78   83 
LCS_GDT     P    92_A     P    92_A     20   22   28      6   16   19   20   21   21   22   24   28   29   32   36   44   50   54   64   72   75   78   83 
LCS_GDT     E    93_A     E    93_A     20   22   28      6   12   18   20   21   21   22   24   28   29   32   34   39   44   54   64   72   75   78   83 
LCS_GDT     A    94_A     A    94_A     20   22   28      6   16   19   20   21   21   23   27   29   32   40   47   51   55   60   67   72   75   80   83 
LCS_GDT     V    95_A     V    95_A     20   22   28      8   16   19   20   21   21   23   27   29   31   38   47   52   55   60   67   72   75   80   83 
LCS_GDT     E    96_A     E    96_A     20   22   28      7   16   19   20   21   21   23   27   29   31   40   47   52   55   60   67   72   75   80   83 
LCS_GDT     L    97_A     L    97_A     20   22   28      8   16   19   20   21   21   23   27   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     V    98_A     V    98_A     20   22   28      8   16   19   20   21   23   26   27   31   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     S    99_A     S    99_A     20   22   28      8   16   19   20   21   21   26   27   29   36   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     T   100_A     T   100_A     20   22   28      8   16   19   20   21   21   23   27   29   32   41   47   52   55   60   67   72   75   80   83 
LCS_GDT     F   101_A     F   101_A     20   22   28      8   16   19   20   22   24   25   27   31   32   37   39   45   52   59   66   71   75   80   83 
LCS_GDT     T   102_A     T   102_A     20   22   28      8   16   19   20   21   22   26   27   29   32   35   38   47   53   59   64   71   75   80   83 
LCS_GDT     Q   103_A     Q   103_A     20   22   28      8   16   19   20   21   23   26   27   29   32   35   43   49   54   59   66   71   75   80   83 
LCS_GDT     Q   104_A     Q   104_A     20   22   28      8   16   19   20   22   24   25   27   31   32   35   38   40   44   51   59   69   75   80   82 
LCS_GDT     F   105_A     F   105_A     20   22   28      8   16   19   20   21   21   23   27   31   32   35   38   39   44   47   51   54   61   70   77 
LCS_GDT     V   106_A     V   106_A     20   22   28      7   16   19   20   21   21   23   27   29   31   33   36   39   42   47   51   56   62   71   79 
LCS_GDT     D   107_A     D   107_A     20   22   28      6   16   19   20   21   24   24   27   31   32   35   38   39   43   49   59   68   74   79   82 
LCS_GDT     V   108_A     V   108_A     20   22   28      4   16   19   20   21   21   23   27   31   32   35   38   40   44   47   51   54   61   66   73 
LCS_GDT     I   109_A     I   109_A     20   22   28      4   14   19   20   21   21   23   27   29   31   32   34   37   40   43   46   53   54   63   65 
LCS_GDT     R   110_A     R   110_A     20   22   28      4   13   19   20   21   21   23   27   31   32   35   38   39   43   47   51   53   59   66   72 
LCS_GDT     G   111_A     G   111_A     18   22   28      3    6   16   20   21   21   22   27   31   32   35   38   40   44   47   51   54   59   66   72 
LCS_GDT     D   112_A     D   112_A     10   22   28      3    9   10   10   11   17   19   23   26   29   35   37   40   44   46   50   53   59   63   66 
LCS_GDT     P   113_A     P   113_A     10   11   28      4    9   10   10   11   12   14   15   23   26   29   36   39   44   46   48   52   56   61   64 
LCS_GDT     Q   114_A     Q   114_A     10   11   27      6    9   10   13   15   18   20   24   27   28   36   38   40   44   46   49   55   62   65   71 
LCS_GDT     A   115_A     A   115_A     10   11   27      6    9   10   13   15   18   20   28   32   32   36   42   46   46   54   59   63   67   69   72 
LCS_GDT     V   116_A     V   116_A     10   11   27      6    9   10   10   11   12   14   22   23   26   29   36   38   41   45   48   51   61   64   67 
LCS_GDT     A   117_A     A   117_A     10   11   21      6    9   10   10   11   12   14   15   17   26   33   41   42   44   49   52   57   67   69   72 
LCS_GDT     E   118_A     E   118_A     10   11   25      6    9   10   10   11   13   22   26   31   38   40   47   53   56   58   61   63   67   69   72 
LCS_GDT     H   119_A     H   119_A     10   11   25      6    9   10   10   11   12   14   16   19   35   40   41   42   51   56   61   63   67   69   72 
LCS_GDT     L   120_A     L   120_A     10   11   25      3    9   10   10   11   12   14   15   16   23   28   33   39   40   44   46   53   55   59   64 
LCS_GDT     N   121_A     N   121_A     10   11   27      3    4    8    9   10   11   14   22   24   28   31   41   42   45   50   60   63   67   68   72 
LCS_GDT     I   122_A     I   122_A      5   20   29      3    3    5    5    6   12   18   22   24   28   31   34   39   42   49   58   63   67   69   72 
LCS_GDT     S   123_A     S   123_A     19   20   31      5   11   15   19   19   19   20   21   23   25   29   34   35   39   44   52   63   67   69   72 
LCS_GDT     L   124_A     L   124_A     19   20   31      6   16   17   19   19   19   20   21   23   28   31   34   36   47   54   58   63   67   69   72 
LCS_GDT     E   125_A     E   125_A     19   20   31      8   16   17   19   19   19   20   22   24   28   31   39   53   56   58   61   63   67   69   72 
LCS_GDT     D   126_A     D   126_A     19   20   31      8   16   17   19   19   19   20   22   26   36   44   49   53   56   58   61   63   67   69   72 
LCS_GDT     V   127_A     V   127_A     19   20   31      8   16   17   19   19   19   20   22   24   33   40   48   53   56   58   61   63   67   69   72 
LCS_GDT     A   128_A     A   128_A     19   20   33      8   16   17   19   19   19   20   22   28   35   44   49   53   56   58   61   63   67   69   72 
LCS_GDT     R   129_A     R   129_A     19   20   33      5   16   17   19   19   19   27   33   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     L   130_A     L   130_A     19   20   33     10   16   17   19   19   20   27   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     A   131_A     A   131_A     19   20   33     10   16   17   19   19   21   26   31   38   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     E   132_A     E   132_A     19   20   33     10   16   17   19   19   20   27   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     A   133_A     A   133_A     19   20   33     10   16   17   19   19   22   27   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     G   134_A     G   134_A     19   20   33     10   16   17   19   19   20   27   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     E   135_A     E   135_A     19   20   33     10   16   17   19   19   21   27   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     A   136_A     A   136_A     19   20   33     10   16   17   19   19   20   27   35   39   43   46   49   53   56   58   61   63   67   69   72 
LCS_GDT     A   137_A     A   137_A     19   20   33     10   16   17   19   19   19   20   22   38   43   46   49   51   55   58   61   63   66   69   72 
LCS_GDT     I   138_A     I   138_A     19   20   33     10   16   17   19   19   19   20   22   26   31   44   48   49   54   57   59   62   65   69   72 
LCS_GDT     E   139_A     E   139_A     19   20   33      6   16   17   19   19   19   20   22   38   43   46   49   51   54   58   61   63   66   69   72 
LCS_GDT     R   140_A     R   140_A     19   20   33     10   16   17   19   19   19   20   21   26   31   38   41   46   51   54   59   62   66   69   72 
LCS_GDT     G   141_A     G   141_A     19   20   33      4   10   16   19   19   19   20   21   23   25   30   34   41   44   46   49   53   55   64   67 
LCS_GDT     E   142_A     E   142_A      3   20   33      0    3    3    6    9   14   18   20   20   25   29   31   34   36   37   39   49   51   58   63 
LCS_GDT     G   143_A     G   143_A      4   19   33      0    3    4    4   11   15   19   19   19   21   27   29   34   36   37   37   38   40   42   44 
LCS_GDT     A   144_A     A   144_A      4   19   33      3    3    4   11   17   18   19   19   19   19   23   25   27   29   32   34   38   40   42   44 
LCS_GDT     S   145_A     S   145_A     15   19   33      3   13   14   15   17   18   19   19   19   21   25   27   31   32   35   37   38   40   42   46 
LCS_GDT     L   146_A     L   146_A     15   19   33      3   13   14   15   17   18   19   19   19   23   28   31   34   36   37   37   38   47   52   54 
LCS_GDT     G   147_A     G   147_A     15   19   33      4    5   10   15   17   18   19   19   19   21   23   25   30   33   37   40   50   52   56   63 
LCS_GDT     V   148_A     V   148_A     15   19   33      4   13   14   15   17   18   19   19   20   21   25   29   33   36   37   40   42   51   53   63 
LCS_GDT     H   149_A     H   149_A     15   19   33      5   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   42   47   52   57 
LCS_GDT     R   150_A     R   150_A     15   19   33      5   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   52   54 
LCS_GDT     E   151_A     E   151_A     15   19   33      7   13   14   15   17   18   19   19   19   25   29   31   34   36   37   37   38   40   56   63 
LCS_GDT     L   152_A     L   152_A     15   19   33      7   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   52   56   63 
LCS_GDT     R   153_A     R   153_A     15   19   33      7   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   42   43 
LCS_GDT     R   154_A     R   154_A     15   19   33      7   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   41   43 
LCS_GDT     I   155_A     I   155_A     15   19   33      7   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   42   44 
LCS_GDT     E   156_A     E   156_A     15   19   33      7   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   42   44 
LCS_GDT     A   157_A     A   157_A     15   19   33      7   13   14   15   17   18   19   19   19   25   28   31   34   36   37   37   38   40   41   43 
LCS_GDT     R   158_A     R   158_A     15   19   33      4   13   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   41   43 
LCS_GDT     R   159_A     R   159_A     15   19   33      3   11   14   15   17   18   19   19   20   25   29   31   34   36   37   37   38   40   42   44 
LCS_GDT     N   160_A     N   160_A     13   19   33      3    6   12   15   17   18   19   19   19   25   28   31   34   36   37   37   38   40   41   43 
LCS_GDT     S   161_A     S   161_A     13   19   31      3    5   10   15   17   18   19   19   19   25   28   31   34   36   37   37   38   40   40   43 
LCS_AVERAGE  LCS_A:  15.71  (   9.61   13.02   24.50 )

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     16     19     22     23     24     30     35     39     43     46     49     53     56     60     67     72     75     80     83 
GDT PERCENT_AT   9.27  10.60  12.58  14.57  15.23  15.89  19.87  23.18  25.83  28.48  30.46  32.45  35.10  37.09  39.74  44.37  47.68  49.67  52.98  54.97
GDT RMS_LOCAL    0.35   0.40   0.83   1.22   1.71   1.78   2.40   3.00   3.20   3.40   3.55   3.78   4.21   4.53   5.40   5.79   6.12   6.27   6.57   6.68
GDT RMS_ALL_AT  20.86  20.86  25.00  15.88  15.15  15.14  15.48  15.70  15.71  15.88  15.86  15.63  15.02  14.76  20.19  20.14  20.57  19.93  19.30  20.19

# Checking swapping
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    76_A      D    76_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E    96_A      E    96_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   125_A      E   125_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  E   142_A      E   142_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A     3.443     0    0.469   1.312    11.753   48.333   25.503
LGA    A    12_A      A    12_A     2.392     0    0.384   0.367     2.393   66.786   66.381
LGA    V    13_A      V    13_A     2.165     0    0.247   1.217     4.989   66.786   60.068
LGA    E    14_A      E    14_A     1.515     0    0.196   1.315     6.054   81.548   61.058
LGA    D    15_A      D    15_A     2.530     0    0.034   0.262     5.615   65.119   48.512
LGA    F    16_A      F    16_A     3.652     0    0.019   0.153     8.346   51.905   27.273
LGA    L    17_A      L    17_A     3.072     0    0.046   0.422     7.164   57.262   40.714
LGA    R    18_A      R    18_A     1.979     0    0.176   1.320    12.612   75.000   35.281
LGA    V    19_A      V    19_A     2.571     0    0.045   1.058     4.709   59.286   52.653
LGA    H    20_A      H    20_A     2.456     0    0.123   1.243     3.798   64.762   56.000
LGA    S    21_A      S    21_A     1.375     0    0.082   0.560     1.774   75.000   78.651
LGA    E    22_A      E    22_A     3.147     0    0.077   0.223     6.641   51.786   37.407
LGA    L    23_A      L    23_A     3.704     0    0.060   0.126     4.744   45.000   40.417
LGA    V    24_A      V    24_A     3.338     0    0.058   0.926     4.682   48.333   46.395
LGA    H    25_A      H    25_A     2.870     0    0.041   1.434     5.304   53.571   49.000
LGA    R    26_A      R    26_A     3.871     0    0.068   1.047     8.748   40.476   24.545
LGA    L    27_A      L    27_A     4.535     0    0.071   1.048     5.525   30.357   38.571
LGA    A    28_A      A    28_A     5.209     0    0.065   0.063     5.945   25.119   25.333
LGA    G    29_A      G    29_A     5.826     0    0.504   0.504     7.210   16.905   16.905
LGA    D    30_A      D    30_A    10.621     0    0.251   0.411    14.361    2.024    1.012
LGA    P    31_A      P    31_A    11.846     0    0.097   0.451    15.111    0.000    0.000
LGA    P    32_A      P    32_A    12.029     0    0.151   0.384    16.161    0.000    0.068
LGA    D    33_A      D    33_A    19.067     0    0.556   1.406    23.195    0.000    0.000
LGA    E    34_A      E    34_A    20.411     0    0.066   0.953    21.145    0.000    0.000
LGA    L    35_A      L    35_A    19.831     0    0.075   0.957    21.492    0.000    0.000
LGA    F    36_A      F    36_A    19.070     0    0.026   0.258    19.449    0.000    0.000
LGA    Q    37_A      Q    37_A    19.995     0    0.051   1.360    21.570    0.000    0.000
LGA    R    38_A      R    38_A    20.579     0    0.030   1.536    28.029    0.000    0.000
LGA    L    39_A      L    39_A    19.953     0    0.079   1.077    20.633    0.000    0.000
LGA    D    40_A      D    40_A    19.776     0    0.048   0.682    20.130    0.000    0.000
LGA    R    41_A      R    41_A    20.621     0    0.040   1.660    26.232    0.000    0.000
LGA    F    42_A      F    42_A    20.935     0    0.037   1.485    24.815    0.000    0.000
LGA    V    43_A      V    43_A    20.370     0    0.057   0.197    20.794    0.000    0.000
LGA    T    44_A      T    44_A    20.719     0    0.050   0.162    21.134    0.000    0.000
LGA    D    45_A      D    45_A    21.586     0    0.082   0.236    22.353    0.000    0.000
LGA    A    46_A      A    46_A    21.787     0    0.043   0.044    22.419    0.000    0.000
LGA    I    47_A      I    47_A    21.610     0    0.059   1.340    22.438    0.000    0.000
LGA    I    48_A      I    48_A    22.462     0    0.094   1.010    22.842    0.000    0.000
LGA    E    49_A      E    49_A    22.857     0    0.675   0.861    26.423    0.000    0.000
LGA    G    50_A      G    50_A    25.371     0    0.664   0.664    25.371    0.000    0.000
LGA    N    51_A      N    51_A    20.887     0    0.329   1.278    22.392    0.000    0.000
LGA    P    52_A      P    52_A    18.205     0    0.689   0.574    20.060    0.000    0.000
LGA    E    53_A      E    53_A    16.093     0    0.188   0.747    20.634    0.000    0.000
LGA    R    54_A      R    54_A    11.560     0    0.410   0.781    21.337    0.000    0.000
LGA    R    55_A      R    55_A    10.269     0    0.153   1.689    10.882    1.071    7.446
LGA    D    56_A      D    56_A     8.370     0    0.113   0.705    11.452    8.333    4.762
LGA    E    57_A      E    57_A     6.185     0    0.033   0.669     8.480   17.619   11.852
LGA    I    58_A      I    58_A     7.222     0    0.049   0.932    10.344   12.619    7.857
LGA    K    59_A      K    59_A     6.759     0    0.061   1.610     9.549   18.571   11.534
LGA    A    60_A      A    60_A     4.130     0    0.124   0.125     4.981   45.833   45.333
LGA    D    61_A      D    61_A     3.818     0    0.074   0.153     5.399   43.333   37.440
LGA    L    62_A      L    62_A     4.616     0    0.018   1.070     6.939   40.476   28.988
LGA    A    63_A      A    63_A     2.536     0    0.044   0.065     3.130   63.214   62.000
LGA    R    64_A      R    64_A     2.433     0    0.061   1.048     4.516   62.976   56.623
LGA    A    65_A      A    65_A     3.296     0    0.080   0.078     4.210   57.262   53.238
LGA    A    66_A      A    66_A     1.949     0    0.088   0.088     2.714   68.810   66.476
LGA    R    67_A      R    67_A     2.935     0    0.053   1.415     6.476   53.810   40.390
LGA    V    68_A      V    68_A     3.682     0    0.017   0.128     4.678   46.667   40.952
LGA    F    69_A      F    69_A     2.485     0    0.031   0.215     4.821   60.952   50.736
LGA    G    70_A      G    70_A     2.752     0    0.039   0.039     3.970   52.143   52.143
LGA    E    71_A      E    71_A     4.915     0    0.041   0.946     7.818   31.548   22.593
LGA    A    72_A      A    72_A     4.726     0    0.029   0.039     4.980   31.429   32.571
LGA    L    73_A      L    73_A     3.917     0    0.065   1.107     5.009   36.071   46.131
LGA    E    74_A      E    74_A     5.271     0    0.201   0.619     8.352   24.048   15.450
LGA    R    75_A      R    75_A     6.190     0    0.291   0.813     8.736   14.762   16.623
LGA    D    76_A      D    76_A     7.470     0    0.068   0.917    11.299   15.476    7.798
LGA    I    77_A      I    77_A     3.184     0    0.579   1.631     7.707   46.786   33.155
LGA    T    78_A      T    78_A     3.583     0    0.689   0.960     6.551   45.000   41.088
LGA    T    79_A      T    79_A     4.732     0    0.074   0.093     8.591   21.190   16.871
LGA    P    80_A      P    80_A     8.388     0    0.661   0.634    11.491    5.476   12.517
LGA    E    81_A      E    81_A    14.082     0    0.044   1.006    17.429    0.000    0.000
LGA    D    82_A      D    82_A    17.486     0    0.035   1.319    19.876    0.000    0.000
LGA    F    83_A      F    83_A    14.700     0    0.057   1.251    16.353    0.000    0.000
LGA    N    84_A      N    84_A    16.085     0    0.073   0.887    19.131    0.000    0.000
LGA    A    85_A      A    85_A    22.313     0    0.054   0.052    23.926    0.000    0.000
LGA    F    86_A      F    86_A    22.125     0    0.031   1.527    26.783    0.000    0.000
LGA    L    87_A      L    87_A    17.993     0    0.051   1.426    19.922    0.000    0.000
LGA    R    88_A      R    88_A    22.975     0    0.036   1.582    27.619    0.000    0.000
LGA    E    89_A      E    89_A    27.085     0    0.118   0.952    31.220    0.000    0.000
LGA    L    90_A      L    90_A    23.147     0    0.067   1.123    24.038    0.000    0.000
LGA    G    91_A      G    91_A    21.922     0    0.559   0.559    22.111    0.000    0.000
LGA    P    92_A      P    92_A    23.805     0    0.039   0.204    27.051    0.000    0.000
LGA    E    93_A      E    93_A    22.303     0    0.033   1.105    27.946    0.000    0.000
LGA    A    94_A      A    94_A    16.197     0    0.044   0.045    18.606    0.000    0.000
LGA    V    95_A      V    95_A    17.420     0    0.073   1.254    21.177    0.000    0.000
LGA    E    96_A      E    96_A    19.733     0    0.031   1.157    23.754    0.000    0.000
LGA    L    97_A      L    97_A    14.561     0    0.058   1.361    16.281    0.000    0.000
LGA    V    98_A      V    98_A    12.848     0    0.038   0.072    14.669    0.000    0.000
LGA    S    99_A      S    99_A    18.425     0    0.071   0.643    20.743    0.000    0.000
LGA    T   100_A      T   100_A    16.967     0    0.053   0.871    18.523    0.000    0.000
LGA    F   101_A      F   101_A    13.027     0    0.042   0.201    15.440    0.000    0.000
LGA    T   102_A      T   102_A    18.014     0    0.070   0.906    21.655    0.000    0.000
LGA    Q   103_A      Q   103_A    21.576     0    0.035   1.122    23.764    0.000    0.000
LGA    Q   104_A      Q   104_A    17.711     0    0.063   0.957    18.876    0.000    0.000
LGA    F   105_A      F   105_A    19.552     0    0.024   1.327    23.997    0.000    0.000
LGA    V   106_A      V   106_A    25.277     0    0.059   0.973    28.584    0.000    0.000
LGA    D   107_A      D   107_A    23.607     0    0.047   1.182    24.433    0.000    0.000
LGA    V   108_A      V   108_A    21.484     0    0.059   0.210    23.914    0.000    0.000
LGA    I   109_A      I   109_A    27.562     0    0.533   1.055    32.293    0.000    0.000
LGA    R   110_A      R   110_A    29.344     0    0.622   0.654    34.413    0.000    0.000
LGA    G   111_A      G   111_A    25.990     0    0.597   0.597    27.080    0.000    0.000
LGA    D   112_A      D   112_A    22.063     0    0.244   0.820    23.393    0.000    0.000
LGA    P   113_A      P   113_A    23.099     0    0.070   0.338    26.073    0.000    0.000
LGA    Q   114_A      Q   114_A    18.614     0    0.070   1.059    20.371    0.000    0.000
LGA    A   115_A      A   115_A    14.971     0    0.036   0.050    16.572    0.000    0.000
LGA    V   116_A      V   116_A    17.917     0    0.033   0.082    21.071    0.000    0.000
LGA    A   117_A      A   117_A    17.499     0    0.044   0.056    17.807    0.000    0.000
LGA    E   118_A      E   118_A    12.731     0    0.050   0.939    14.327    0.000    1.429
LGA    H   119_A      H   119_A    13.861     0    0.058   1.185    15.633    0.000    0.000
LGA    L   120_A      L   120_A    17.534     0    0.190   0.217    20.806    0.000    0.000
LGA    N   121_A      N   121_A    15.335     0    0.388   1.095    17.972    0.000    0.000
LGA    I   122_A      I   122_A    15.950     0    0.071   0.201    18.384    0.000    0.000
LGA    S   123_A      S   123_A    14.736     0    0.671   0.881    17.223    0.000    0.000
LGA    L   124_A      L   124_A    13.471     0    0.043   1.150    16.926    0.000    0.000
LGA    E   125_A      E   125_A    11.993     0    0.046   0.702    16.774    0.119    0.053
LGA    D   126_A      D   126_A     9.182     0    0.087   0.183    11.105    4.881    2.619
LGA    V   127_A      V   127_A     8.417     0    0.039   1.239    10.589    7.024    4.490
LGA    A   128_A      A   128_A     8.164     0    0.044   0.045     9.223    9.524    7.905
LGA    R   129_A      R   129_A     5.973     0    0.049   0.613    12.561   28.810   12.857
LGA    L   130_A      L   130_A     2.919     0    0.059   0.087     4.129   54.048   53.869
LGA    A   131_A      A   131_A     4.470     0    0.031   0.046     5.829   41.905   37.810
LGA    E   132_A      E   132_A     3.163     0    0.023   0.464     5.959   57.738   41.640
LGA    A   133_A      A   133_A     1.946     0    0.040   0.041     2.857   66.905   66.476
LGA    G   134_A      G   134_A     3.380     0    0.033   0.033     4.523   47.381   47.381
LGA    E   135_A      E   135_A     3.408     0    0.039   0.093     5.925   50.119   41.958
LGA    A   136_A      A   136_A     2.598     0    0.038   0.041     4.613   49.167   50.762
LGA    A   137_A      A   137_A     5.411     0    0.044   0.048     7.340   22.619   23.333
LGA    I   138_A      I   138_A     6.825     0    0.050   0.131     7.805   13.810   11.964
LGA    E   139_A      E   139_A     5.815     0    0.066   0.967     7.586   15.833   27.407
LGA    R   140_A      R   140_A     7.858     0    0.157   1.133    10.228    5.476   13.983
LGA    G   141_A      G   141_A    10.611     0    0.559   0.559    10.611    0.357    0.357
LGA    E   142_A      E   142_A    10.459     0    0.673   1.105    14.389    0.000    0.370
LGA    G   143_A      G   143_A    15.737     0    0.581   0.581    16.400    0.000    0.000
LGA    A   144_A      A   144_A    16.101     0    0.630   0.618    17.564    0.000    0.000
LGA    S   145_A      S   145_A    14.165     0    0.322   0.323    15.130    0.000    0.000
LGA    L   146_A      L   146_A    14.027     0    0.628   1.219    14.719    0.000    0.000
LGA    G   147_A      G   147_A    13.826     0    0.151   0.151    14.389    0.000    0.000
LGA    V   148_A      V   148_A    13.517     0    0.067   0.110    14.678    0.000    0.000
LGA    H   149_A      H   149_A    15.020     0    0.065   1.135    20.412    0.000    0.000
LGA    R   150_A      R   150_A    17.160     0    0.038   1.153    19.928    0.000    0.000
LGA    E   151_A      E   151_A    16.372     0    0.054   0.866    17.499    0.000    0.000
LGA    L   152_A      L   152_A    15.610     0    0.081   0.753    18.283    0.000    0.000
LGA    R   153_A      R   153_A    20.883     0    0.032   1.107    29.576    0.000    0.000
LGA    R   154_A      R   154_A    23.398     0    0.026   1.590    27.113    0.000    0.000
LGA    I   155_A      I   155_A    20.881     0    0.030   1.266    22.770    0.000    0.000
LGA    E   156_A      E   156_A    22.357     0    0.078   1.373    26.121    0.000    0.000
LGA    A   157_A      A   157_A    28.424     0    0.035   0.049    31.329    0.000    0.000
LGA    R   158_A      R   158_A    29.053     0    0.065   1.653    31.128    0.000    0.000
LGA    R   159_A      R   159_A    27.474     0    0.041   1.513    30.871    0.000    0.000
LGA    N   160_A      N   160_A    31.632     0    0.097   1.160    35.650    0.000    0.000
LGA    S   161_A      S   161_A    36.145     0    0.603   0.750    37.448    0.000    0.000

# 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):    13.737         13.735                 14.276           16.070   13.914

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  164  151    4.0     35    3.00    23.179    20.217     1.129

LGA_LOCAL      RMSD:   3.001  Number of atoms:   35  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.698  Number of assigned atoms:  151 
Std_ASGN_ATOMS RMSD:  13.737  Standard rmsd on all 151 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.235856 * X  +   0.857687 * Y  +   0.456887 * Z  + -16.226791
  Y_new =   0.489139 * X  +   0.511029 * Y  +  -0.706819 * Z  +   3.296362
  Z_new =  -0.839711 * X  +   0.056773 * Y  +  -0.540057 * Z  +  10.866706 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.020092  0.996751  3.036853   [DEG:  115.7428   57.1096  173.9989 ]
ZXZ:  0.573839  2.141301 -1.503289   [DEG:   32.8786  122.6875  -86.1321 ]
 
# END of job
