
#######################################################
#                                                     #
#                        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:    60       8_A - 67_A        4.94    21.33
  LONGEST_CONTINUOUS_SEGMENT:    60       9_A - 68_A        4.96    21.38
  LCS_AVERAGE:     28.77

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      25_A - 44_A        1.79    22.30
  LONGEST_CONTINUOUS_SEGMENT:    20      26_A - 45_A        1.68    21.96
  LONGEST_CONTINUOUS_SEGMENT:    20      27_A - 46_A        1.95    21.78
  LONGEST_CONTINUOUS_SEGMENT:    20      29_A - 48_A        1.93    21.21
  LONGEST_CONTINUOUS_SEGMENT:    20      34_A - 53_A        2.00    20.78
  LONGEST_CONTINUOUS_SEGMENT:    20      56_A - 75_A        1.94    23.17
  LCS_AVERAGE:     10.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      28_A - 44_A        0.96    21.54
  LONGEST_CONTINUOUS_SEGMENT:    17     114_A - 130_A       0.96    26.78
  LCS_AVERAGE:      7.29

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      0    3   21      0    0    3    3    5    7    9    9    9   10   13   22   24   35   41   53   58   66   72   74 
LCS_GDT     S     2_A     S     2_A      3    3   24      0    3    3    3    3    5    9   10   11   14   18   22   30   34   41   51   58   68   72   74 
LCS_GDT     R     3_A     R     3_A      3    5   25      0    3    5    5    6    7   10   13   15   21   26   31   39   43   43   53   58   67   72   74 
LCS_GDT     I     4_A     I     4_A      4    5   25      4    4    5    6    8   13   15   17   18   21   26   31   39   43   43   47   51   63   72   74 
LCS_GDT     D     5_A     D     5_A      4    5   25      4    4    5    6    6    7    9   15   15   21   26   31   39   43   50   53   58   68   72   74 
LCS_GDT     E     6_A     E     6_A      4    5   25      4    4    5    6    6    9   12   17   18   21   26   33   39   44   53   58   64   69   72   74 
LCS_GDT     K     7_A     K     7_A      4    5   58      4    4    5    6    9   14   16   17   18   21   26   33   39   47   53   59   64   69   72   74 
LCS_GDT     S     8_A     S     8_A      3   16   60      3    3    5   10   12   14   16   17   20   27   36   41   51   56   59   63   65   69   72   74 
LCS_GDT     S     9_A     S     9_A      3   17   60      3    5   11   15   16   18   21   23   27   37   46   51   55   57   60   63   65   69   72   74 
LCS_GDT     K    10_A     K    10_A     14   17   60      6   11   13   15   16   18   28   35   41   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     A    11_A     A    11_A     14   17   60      7   12   13   15   16   19   30   35   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    12_A     K    12_A     14   17   60      7   12   13   14   18   25   30   36   42   45   48   52   55   57   60   63   65   69   70   74 
LCS_GDT     V    13_A     V    13_A     14   17   60      7   12   13   15   16   22   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     N    14_A     N    14_A     14   17   60      7   12   13   15   16   19   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     D    15_A     D    15_A     14   17   60      7   12   13   15   19   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     F    16_A     F    16_A     14   17   60      7   12   13   15   19   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     L    17_A     L    17_A     14   17   60      7   12   13   15   16   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     A    18_A     A    18_A     14   17   60      7   12   13   14   18   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    19_A     E    19_A     14   17   60      7   12   13   15   18   24   28   35   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     I    20_A     I    20_A     14   17   60      7   12   13   15   16   21   27   35   40   44   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     F    21_A     F    21_A     14   17   60      7   12   13   14   19   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    22_A     K    22_A     14   17   60      7   12   13   14   19   24   29   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    23_A     K    23_A     14   17   60      3    9   12   15   16   18   21   25   38   43   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     I    24_A     I    24_A      9   17   60      3    5   10   13   15   16   17   17   21   30   42   52   55   57   60   63   65   69   72   74 
LCS_GDT     G    25_A     G    25_A      7   20   60      6    6    7   10   14   18   26   32   36   40   46   52   55   57   60   63   65   69   72   74 
LCS_GDT     S    26_A     S    26_A      7   20   60      6    6    8   13   20   25   30   32   40   44   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    27_A     K    27_A      7   20   60      6    6   10   15   20   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    28_A     E    28_A     17   20   60      6    6    7   13   20   24   29   36   42   45   47   52   55   57   60   63   65   69   72   74 
LCS_GDT     N    29_A     N    29_A     17   20   60      9   16   16   17   20   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     T    30_A     T    30_A     17   20   60     11   16   16   17   20   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    31_A     K    31_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    32_A     E    32_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     G    33_A     G    33_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     L    34_A     L    34_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     A    35_A     A    35_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    36_A     E    36_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     L    37_A     L    37_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     Y    38_A     Y    38_A     17   20   60      8   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    39_A     E    39_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     Y    40_A     Y    40_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    41_A     K    41_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    42_A     K    42_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    43_A     K    43_A     17   20   60     10   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     Y    44_A     Y    44_A     17   20   60     11   16   16   17   21   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     S    45_A     S    45_A      4   20   60      3    4    5    7   13   19   26   33   42   45   47   50   52   57   60   60   62   64   68   72 
LCS_GDT     D    46_A     D    46_A     10   20   60      4    8   10   11   13   19   27   31   36   45   47   50   52   57   60   60   64   66   72   74 
LCS_GDT     A    47_A     A    47_A     10   20   60      7    8   10   12   17   22   28   32   42   45   47   50   54   57   60   60   64   68   72   74 
LCS_GDT     D    48_A     D    48_A     10   20   60      7    8   10   16   21   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     I    49_A     I    49_A     10   20   60      7    8   10   15   21   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    50_A     E    50_A     10   20   60      7    8   10   16   21   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     P    51_A     P    51_A     10   20   60      7    8   11   17   21   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     F    52_A     F    52_A     10   20   60      7    8   10   17   21   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     L    53_A     L    53_A     10   20   60      7    8   10   16   21   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     K    54_A     K    54_A     10   13   60      3    6   13   17   21   24   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     N    55_A     N    55_A     10   13   60      3    5   10   15   18   24   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     S    56_A     S    56_A      7   20   60      4   10   10   11   14   18   19   24   33   45   47   50   55   57   60   63   65   69   72   74 
LCS_GDT     S    57_A     S    57_A     16   20   60      3   11   15   18   18   18   19   19   24   29   41   46   50   55   59   60   62   65   70   74 
LCS_GDT     Q    58_A     Q    58_A     16   20   60      4   12   17   18   18   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     F    59_A     F    59_A     16   20   60      5   12   17   18   18   18   19   21   24   33   35   48   55   57   60   63   65   69   72   74 
LCS_GDT     F    60_A     F    60_A     16   20   60      5   12   17   18   18   24   28   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     Q    61_A     Q    61_A     16   20   60      5   12   17   18   19   25   30   36   42   45   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     S    62_A     S    62_A     16   20   60      6   12   17   18   20   21   25   30   38   43   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     Y    63_A     Y    63_A     16   20   60      6   12   17   18   20   21   25   35   40   44   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     V    64_A     V    64_A     16   20   60      6   12   17   18   18   18   26   34   40   44   48   52   55   57   60   63   65   69   72   74 
LCS_GDT     E    65_A     E    65_A     16   20   60      6   12   17   18   18   18   19   22   24   27   34   41   49   53   59   63   65   69   72   74 
LCS_GDT     R    66_A     R    66_A     16   20   60      8   12   17   18   18   18   19   22   24   27   33   41   49   53   59   63   65   69   72   74 
LCS_GDT     G    67_A     G    67_A     16   20   60      8   12   17   18   18   18   21   23   30   36   43   52   55   57   60   63   65   69   72   74 
LCS_GDT     L    68_A     L    68_A     16   20   60      8   11   17   18   18   18   19   22   24   27   32   41   46   53   58   63   65   69   72   74 
LCS_GDT     R    69_A     R    69_A     16   20   32      8   12   17   18   18   18   19   22   24   27   30   33   39   43   51   56   62   65   70   74 
LCS_GDT     V    70_A     V    70_A     16   20   32      8   12   17   18   18   18   19   22   24   27   33   41   46   53   58   63   65   69   72   74 
LCS_GDT     I    71_A     I    71_A     16   20   32      8   12   17   18   18   18   19   22   24   27   32   41   46   53   58   63   65   69   72   74 
LCS_GDT     E    72_A     E    72_A     16   20   32      8   10   17   18   18   18   19   22   24   27   30   33   37   43   48   53   58   63   68   74 
LCS_GDT     M    73_A     M    73_A     15   20   32      8   11   17   18   18   18   19   22   24   27   30   33   39   43   48   56   59   62   68   74 
LCS_GDT     E    74_A     E    74_A     15   20   32      8   11   17   18   18   18   19   22   24   27   32   38   46   50   56   59   65   69   72   74 
LCS_GDT     R    75_A     R    75_A      5   20   32      3    4    5    7   11   17   19   22   24   27   32   38   46   50   56   59   65   69   72   74 
LCS_GDT     E    76_A     E    76_A      5    8   32      3    4    6    7    9   14   19   22   24   27   32   40   46   50   56   59   65   69   72   74 
LCS_GDT     G    77_A     G    77_A      5    8   32      3    4    6    7    9   13   19   21   24   27   35   41   46   53   58   63   65   69   72   74 
LCS_GDT     K    78_A     K    78_A      5    8   32      3    4    6    7    8   12   15   19   23   27   31   40   46   50   55   59   65   69   70   74 
LCS_GDT     G    79_A     G    79_A      5    8   32      3    4    6    7    9   11   14   19   23   26   31   37   45   50   55   59   65   69   70   74 
LCS_GDT     R    80_A     R    80_A      5    7   32      3    4    6    6    7    8   10   11   15   21   25   31   33   35   42   47   59   63   70   73 
LCS_GDT     I    81_A     I    81_A      5    7   32      3    4    6    6    6    6    9   11   13   14   25   28   35   44   46   59   65   69   70   74 
LCS_GDT     S    82_A     S    82_A      3    5   32      3    3    4    4    6    8   21   23   23   33   39   47   52   56   59   63   65   69   70   74 
LCS_GDT     T    83_A     T    83_A      4    6   32      3    6    9   13   14   18   24   35   40   42   48   52   55   57   60   63   65   67   70   73 
LCS_GDT     S    84_A     S    84_A      4    6   32      3    4    5   11   17   20   21   35   40   42   48   52   55   57   60   63   65   67   70   73 
LCS_GDT     T    85_A     T    85_A      4    6   30      3    4    5    6    7    8   10   11   29   33   46   52   55   57   60   62   65   67   68   73 
LCS_GDT     G    86_A     G    86_A      4    6   25      3    4    5    6    6   15   19   23   26   27   31   41   52   56   60   60   63   66   68   70 
LCS_GDT     I    87_A     I    87_A      4    7   20      3    4    5    6    7    7   19   21   26   27   31   38   52   55   58   60   62   64   68   69 
LCS_GDT     S    88_A     S    88_A      4    7   21      3    3    4    6    7    7   10   10   14   15   16   17   31   39   46   50   54   59   61   65 
LCS_GDT     P    89_A     P    89_A      4    7   21      4    4    5    6    9   10   11   13   16   16   17   18   19   20   21   23   25   26   29   31 
LCS_GDT     Q    90_A     Q    90_A      4    7   21      4    4    5    8    9   11   12   13   16   16   17   18   18   19   21   23   24   25   26   31 
LCS_GDT     M    91_A     M    91_A      4    7   21      4    4    5    6    9   11   12   13   14   15   17   18   18   19   20   20   22   23   24   26 
LCS_GDT     E    92_A     E    92_A      4    7   21      4    4    5    8    9   11   12   13   14   15   16   18   18   18   20   20   21   21   23   24 
LCS_GDT     V    93_A     V    93_A      3    8   21      3    4    4    8    9   11   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     T    94_A     T    94_A      3    8   21      3    3    5    8    9   11   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     C    95_A     C    95_A      3    8   21      3    4    5    8    9   11   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     V    96_A     V    96_A      3    8   21      3    4    5    5    6   10   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     P    97_A     P    97_A      4    8   21      3    4    5    8    9   11   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     T    98_A     T    98_A      5    8   21      3    4    5    8    9   11   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     P    99_A     P    99_A      5    8   21      3    4    5    8    9   11   12   13   14   15   16   16   18   19   21   23   24   25   26   26 
LCS_GDT     T   100_A     T   100_A      5    8   21      3    4    5    8    9   11   12   13   16   16   17   18   19   20   21   23   24   25   26   26 
LCS_GDT     S   101_A     S   101_A      5    6   21      3    4    5    7    9   11   12   13   16   16   17   18   19   20   21   23   24   25   29   31 
LCS_GDT     T   102_A     T   102_A      5    7   21      3    4    5    7    9   11   12   13   16   16   17   18   19   20   21   29   51   57   61   63 
LCS_GDT     V   103_A     V   103_A      3    7   21      3    3    4    5    6    8   11   13   16   21   26   33   38   45   50   57   60   64   68   70 
LCS_GDT     S   104_A     S   104_A      4    7   21      3    3    4    5    6    7    7   13   16   22   27   34   41   44   49   55   58   68   72   74 
LCS_GDT     S   105_A     S   105_A      4    7   21      3    3    4    5    6    9   11   17   20   23   32   36   41   48   54   58   64   68   72   74 
LCS_GDT     I   106_A     I   106_A      4    7   21      3    4    5    5    6    8   11   14   17   19   27   32   36   40   46   55   60   68   72   74 
LCS_GDT     G   107_A     G   107_A      5    7   21      3    4    6    6    6    9   11   14   17   18   21   23   28   35   41   43   49   57   63   69 
LCS_GDT     N   108_A     N   108_A      5    7   21      4    4    6    6    6    9   11   14   17   18   21   23   28   35   41   43   46   52   56   58 
LCS_GDT     T   109_A     T   109_A      5    6   21      4    4    6    6    6    7   11   14   17   18   22   28   30   34   36   40   45   52   56   57 
LCS_GDT     N   110_A     N   110_A      5    6   27      4    4    6    6    6    7    9   13   16   18   22   28   30   34   36   40   45   50   56   57 
LCS_GDT     G   111_A     G   111_A      5    6   27      4    4    6    6    6    7   12   15   16   19   22   29   30   34   36   40   43   46   51   52 
LCS_GDT     E   112_A     E   112_A      4    6   27      4    4    4    5    6   10   11   15   19   22   24   29   30   34   36   40   46   52   56   64 
LCS_GDT     E   113_A     E   113_A      4   19   27      4    4    4    5   11   16   19   22   23   27   30   33   34   35   36   40   45   50   56   58 
LCS_GDT     V   114_A     V   114_A     17   19   27      4   13   16   18   18   18   19   22   23   27   30   33   34   35   41   43   46   52   57   65 
LCS_GDT     G   115_A     G   115_A     17   19   27      4    9   16   18   18   18   19   22   25   27   30   33   34   35   41   43   46   52   58   66 
LCS_GDT     P   116_A     P   116_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   40   43   50   56   57 
LCS_GDT     S   117_A     S   117_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   43   48   51   55 
LCS_GDT     V   118_A     V   118_A     17   19   27      5   12   16   18   18   18   19   22   25   27   30   33   34   35   36   39   43   52   57   64 
LCS_GDT     Y   119_A     Y   119_A     17   19   27      6   13   16   18   18   18   19   22   25   27   30   33   34   35   36   40   43   48   56   61 
LCS_GDT     L   120_A     L   120_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   51 
LCS_GDT     E   121_A     E   121_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     R   122_A     R   122_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     L   123_A     L   123_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     K   124_A     K   124_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     I   125_A     I   125_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     L   126_A     L   126_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     R   127_A     R   127_A     17   19   27      7   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     Q   128_A     Q   128_A     17   19   27      6   13   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     R   129_A     R   129_A     17   19   27      4   12   16   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     C   130_A     C   130_A     17   19   27      4    9   15   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     G   131_A     G   131_A     16   19   27      4    4   14   18   18   18   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     L   132_A     L   132_A      4   19   27      3    4    4    5   12   16   19   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     D   133_A     D   133_A      4    5   27      3    4    4    5    5    7    9   13   18   23   29   32   34   35   36   39   40   42   44   47 
LCS_GDT     N   134_A     N   134_A      4    5   27      3    4    4    5    5    7   15   20   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     T   135_A     T   135_A      4    5   27      3    4    4    5    5   12   18   22   25   27   30   33   34   35   36   39   40   42   44   47 
LCS_GDT     K   136_A     K   136_A      3    5   27      0    4    6    6    6    7    9   11   20   24   30   33   34   35   36   39   40   41   44   47 
LCS_GDT     Q   137_A     Q   137_A      4    5   27      3    3    4    4    5    5    5   10   10   10   10   12   13   17   19   22   23   35   36   44 
LCS_GDT     D   138_A     D   138_A      4    5   13      3    3    4    4    5    7    8   10   10   10   10   12   13   13   13   15   15   16   19   20 
LCS_GDT     D   139_A     D   139_A      4    5   13      3    3    4    4    5    7    8   10   10   10   10   12   13   13   13   15   15   16   19   20 
LCS_GDT     R   140_A     R   140_A      4    5   13      3    3    4    4    5    7    8   10   10   10   10   12   13   13   13   15   15   16   17   20 
LCS_GDT     P   141_A     P   141_A      3    5   13      3    3    3    5    5    5    8   10   10   10   10   12   13   13   13   15   16   17   19   23 
LCS_AVERAGE  LCS_A:  15.39  (   7.29   10.11   28.77 )

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     11     16     17     18     21     25     30     36     42     45     48     52     55     57     60     63     65     69     72     74 
GDT PERCENT_AT   7.80  11.35  12.06  12.77  14.89  17.73  21.28  25.53  29.79  31.91  34.04  36.88  39.01  40.43  42.55  44.68  46.10  48.94  51.06  52.48
GDT RMS_LOCAL    0.27   0.45   1.04   1.06   1.63   2.03   2.50   2.84   3.10   3.29   3.74   4.03   4.21   4.30   4.59   5.37   5.47   6.21   6.97   6.68
GDT RMS_ALL_AT  21.47  21.38  24.07  26.51  21.14  22.96  22.48  22.19  22.15  22.07  21.41  21.37  21.39  21.45  21.20  20.93  20.91  20.62  20.40  20.59

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  D   133_A      D   133_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    29.745     0    0.161   0.219    30.755    0.000    0.000
LGA    S     2_A      S     2_A    29.209     0    0.616   0.983    29.243    0.000    0.000
LGA    R     3_A      R     3_A    27.584     0    0.626   1.152    28.692    0.000    0.000
LGA    I     4_A      I     4_A    26.760     0    0.584   1.133    31.293    0.000    0.000
LGA    D     5_A      D     5_A    24.348     0    0.165   1.330    25.594    0.000    0.000
LGA    E     6_A      E     6_A    20.063     0    0.623   1.210    22.017    0.000    0.000
LGA    K     7_A      K     7_A    18.677     0    0.627   0.722    26.670    0.000    0.000
LGA    S     8_A      S     8_A    13.724     0    0.622   0.837    15.262    0.119    0.079
LGA    S     9_A      S     9_A     9.260     0    0.621   1.017    11.147    7.143    4.762
LGA    K    10_A      K    10_A     5.286     0    0.529   0.436     8.833   24.762   17.249
LGA    A    11_A      A    11_A     4.404     0    0.038   0.055     4.572   38.810   38.476
LGA    K    12_A      K    12_A     3.001     0    0.063   1.155     7.887   51.786   41.587
LGA    V    13_A      V    13_A     4.030     0    0.067   0.889     7.196   41.786   35.102
LGA    N    14_A      N    14_A     4.104     0    0.035   0.914     7.490   45.119   34.345
LGA    D    15_A      D    15_A     2.815     0    0.029   0.778     4.633   57.143   49.583
LGA    F    16_A      F    16_A     3.299     0    0.025   1.498     8.532   50.119   30.303
LGA    L    17_A      L    17_A     3.871     0    0.018   0.888     6.938   48.333   35.714
LGA    A    18_A      A    18_A     3.077     0    0.037   0.037     4.015   55.357   51.714
LGA    E    19_A      E    19_A     4.156     0    0.033   1.258    10.342   38.929   23.069
LGA    I    20_A      I    20_A     5.049     0    0.020   1.262     7.403   32.976   25.833
LGA    F    21_A      F    21_A     3.553     0    0.038   1.154     5.040   48.452   40.866
LGA    K    22_A      K    22_A     3.443     0    0.082   1.021    12.606   46.905   27.249
LGA    K    23_A      K    23_A     6.827     0    0.044   1.268    13.217   14.167    6.984
LGA    I    24_A      I    24_A     8.008     0    0.056   0.112    10.599    6.667    4.226
LGA    G    25_A      G    25_A     6.730     0    0.252   0.252     6.730   14.286   14.286
LGA    S    26_A      S    26_A     4.478     0    0.030   0.828     4.859   40.476   38.413
LGA    K    27_A      K    27_A     3.228     0    0.078   0.770     6.522   53.810   42.063
LGA    E    28_A      E    28_A     3.448     0    0.065   0.168     8.202   53.571   34.233
LGA    N    29_A      N    29_A     2.156     0    0.294   1.212     4.113   66.786   59.524
LGA    T    30_A      T    30_A     3.239     0    0.047   1.336     6.676   53.571   44.898
LGA    K    31_A      K    31_A     2.616     0    0.027   0.664     3.949   60.952   54.180
LGA    E    32_A      E    32_A     0.612     0    0.035   0.923     2.613   90.595   83.862
LGA    G    33_A      G    33_A     1.528     0    0.042   0.042     1.651   75.000   75.000
LGA    L    34_A      L    34_A     2.310     0    0.036   0.308     4.597   68.810   54.643
LGA    A    35_A      A    35_A     1.580     0    0.036   0.047     1.639   77.143   78.000
LGA    E    36_A      E    36_A     0.651     0    0.043   1.113     4.015   90.476   74.286
LGA    L    37_A      L    37_A     1.310     0    0.023   1.143     3.805   79.286   72.440
LGA    Y    38_A      Y    38_A     2.188     0    0.145   0.617     9.845   70.833   35.040
LGA    E    39_A      E    39_A     1.249     0    0.048   1.467     6.031   85.952   64.868
LGA    Y    40_A      Y    40_A     0.734     0    0.047   0.480     1.425   90.476   86.706
LGA    K    41_A      K    41_A     1.709     0    0.053   0.762     6.841   75.000   49.153
LGA    K    42_A      K    42_A     2.412     0    0.030   0.897     5.840   64.881   51.640
LGA    K    43_A      K    43_A     2.085     0    0.073   0.696     2.467   70.833   68.360
LGA    Y    44_A      Y    44_A     0.933     0    0.588   0.817     5.806   85.952   59.841
LGA    S    45_A      S    45_A     4.729     0    0.481   0.488     5.526   34.405   30.873
LGA    D    46_A      D    46_A     5.485     0    0.376   0.503     7.476   26.190   21.310
LGA    A    47_A      A    47_A     5.016     0    0.100   0.125     5.344   28.810   28.286
LGA    D    48_A      D    48_A     3.987     0    0.043   0.221     4.827   41.786   39.524
LGA    I    49_A      I    49_A     4.384     0    0.032   0.642     5.299   37.143   33.036
LGA    E    50_A      E    50_A     4.534     0    0.067   1.103     8.653   34.286   26.138
LGA    P    51_A      P    51_A     3.506     0    0.072   0.098     4.011   46.667   45.306
LGA    F    52_A      F    52_A     3.632     0    0.109   1.068     9.087   43.333   25.152
LGA    L    53_A      L    53_A     4.269     0    0.040   0.598     7.182   43.571   33.571
LGA    K    54_A      K    54_A     1.451     0    0.072   1.055     6.577   70.952   57.884
LGA    N    55_A      N    55_A     2.205     0    0.026   1.029     5.029   53.095   55.238
LGA    S    56_A      S    56_A     5.691     0    0.541   0.719     8.213   24.286   19.841
LGA    S    57_A      S    57_A     7.175     0    0.625   0.611    11.406   26.190   17.937
LGA    Q    58_A      Q    58_A     3.637     0    0.093   1.064     8.412   35.833   27.672
LGA    F    59_A      F    59_A     7.565     0    0.037   1.217    15.174   15.714    5.758
LGA    F    60_A      F    60_A     3.939     0    0.138   1.491     7.064   60.357   33.939
LGA    Q    61_A      Q    61_A     2.614     0    0.057   1.285     8.316   49.048   34.180
LGA    S    62_A      S    62_A     7.818     0    0.045   0.067     9.593   10.238    7.143
LGA    Y    63_A      Y    63_A     6.110     0    0.052   1.329     6.883   17.262   26.706
LGA    V    64_A      V    64_A     5.992     0    0.061   1.248     9.854   14.048   12.857
LGA    E    65_A      E    65_A    12.066     0    0.037   1.194    18.030    0.119    0.053
LGA    R    66_A      R    66_A    13.659     0    0.062   1.040    17.353    0.000    0.000
LGA    G    67_A      G    67_A    10.390     0    0.042   0.042    12.449    0.000    0.000
LGA    L    68_A      L    68_A    14.324     0    0.039   1.452    17.520    0.000    0.000
LGA    R    69_A      R    69_A    19.287     0    0.049   0.903    25.167    0.000    0.000
LGA    V    70_A      V    70_A    17.101     0    0.090   1.116    17.783    0.000    0.000
LGA    I    71_A      I    71_A    16.073     0    0.036   1.512    19.238    0.000    0.000
LGA    E    72_A      E    72_A    22.024     0    0.043   0.597    27.006    0.000    0.000
LGA    M    73_A      M    73_A    23.728     0    0.056   0.761    24.687    0.000    0.000
LGA    E    74_A      E    74_A    21.180     0    0.586   1.158    21.546    0.000    0.000
LGA    R    75_A      R    75_A    21.006     0    0.370   1.663    21.412    0.000    0.000
LGA    E    76_A      E    76_A    22.434     0    0.650   0.731    24.645    0.000    0.000
LGA    G    77_A      G    77_A    20.799     0    0.590   0.590    21.503    0.000    0.000
LGA    K    78_A      K    78_A    23.629     0    0.349   1.152    25.902    0.000    0.000
LGA    G    79_A      G    79_A    24.061     0    0.582   0.582    24.061    0.000    0.000
LGA    R    80_A      R    80_A    20.616     0    0.616   0.770    25.558    0.000    0.000
LGA    I    81_A      I    81_A    18.319     0    0.636   0.780    21.254    0.000    0.000
LGA    S    82_A      S    82_A    16.965     0    0.105   0.765    18.494    0.000    0.000
LGA    T    83_A      T    83_A    11.554     0    0.611   1.285    13.805    0.000    0.068
LGA    S    84_A      S    84_A    11.660     0    0.125   0.167    12.457    0.000    0.000
LGA    T    85_A      T    85_A    11.875     0    0.612   0.880    15.119    0.000    0.000
LGA    G    86_A      G    86_A    13.242     0    0.396   0.396    15.336    0.000    0.000
LGA    I    87_A      I    87_A    14.740     0    0.575   0.752    15.730    0.000    0.000
LGA    S    88_A      S    88_A    18.408     0    0.043   0.615    22.133    0.000    0.000
LGA    P    89_A      P    89_A    19.298     0    0.655   0.615    23.904    0.000    0.000
LGA    Q    90_A      Q    90_A    25.482     0    0.026   0.693    26.355    0.000    0.000
LGA    M    91_A      M    91_A    29.625     0    0.548   0.852    33.079    0.000    0.000
LGA    E    92_A      E    92_A    33.098     0    0.259   0.295    34.857    0.000    0.000
LGA    V    93_A      V    93_A    36.219     0    0.123   0.204    38.206    0.000    0.000
LGA    T    94_A      T    94_A    40.272     0    0.117   1.115    40.837    0.000    0.000
LGA    C    95_A      C    95_A    41.414     0    0.402   1.003    42.393    0.000    0.000
LGA    V    96_A      V    96_A    37.143     0    0.605   1.054    38.993    0.000    0.000
LGA    P    97_A      P    97_A    33.367     0    0.082   0.246    35.607    0.000    0.000
LGA    T    98_A      T    98_A    31.167     0    0.265   1.299    31.550    0.000    0.000
LGA    P    99_A      P    99_A    25.964     0    0.075   0.156    29.437    0.000    0.000
LGA    T   100_A      T   100_A    22.223     0    0.049   1.111    23.851    0.000    0.000
LGA    S   101_A      S   101_A    18.366     0    0.640   0.743    19.657    0.000    0.000
LGA    T   102_A      T   102_A    16.281     0    0.589   0.631    19.282    0.000    0.000
LGA    V   103_A      V   103_A    17.549     0    0.624   0.617    19.418    0.000    0.000
LGA    S   104_A      S   104_A    22.939     0    0.083   0.657    25.957    0.000    0.000
LGA    S   105_A      S   105_A    24.314     0    0.079   0.746    26.829    0.000    0.000
LGA    I   106_A      I   106_A    26.017     0    0.039   1.398    27.220    0.000    0.000
LGA    G   107_A      G   107_A    29.982     0    0.342   0.342    30.067    0.000    0.000
LGA    N   108_A      N   108_A    29.781     0    0.121   0.830    30.766    0.000    0.000
LGA    T   109_A      T   109_A    29.251     0    0.056   0.071    30.747    0.000    0.000
LGA    N   110_A      N   110_A    27.868     0    0.250   0.991    28.397    0.000    0.000
LGA    G   111_A      G   111_A    28.418     0    0.664   0.664    28.418    0.000    0.000
LGA    E   112_A      E   112_A    22.989     0    0.344   1.080    25.098    0.000    0.000
LGA    E   113_A      E   113_A    24.643     0    0.226   1.007    26.789    0.000    0.000
LGA    V   114_A      V   114_A    21.102     0    0.042   0.173    22.248    0.000    0.000
LGA    G   115_A      G   115_A    18.092     0    0.084   0.084    19.220    0.000    0.000
LGA    P   116_A      P   116_A    22.429     0    0.078   0.093    25.221    0.000    0.000
LGA    S   117_A      S   117_A    22.452     0    0.085   0.675    22.502    0.000    0.000
LGA    V   118_A      V   118_A    16.590     0    0.062   0.848    18.267    0.000    0.000
LGA    Y   119_A      Y   119_A    17.510     0    0.043   1.382    20.745    0.000    0.000
LGA    L   120_A      L   120_A    24.018     0    0.050   1.012    28.644    0.000    0.000
LGA    E   121_A      E   121_A    23.482     0    0.051   0.907    24.414    0.000    0.000
LGA    R   122_A      R   122_A    19.237     0    0.027   0.936    20.977    0.000    0.000
LGA    L   123_A      L   123_A    21.301     0    0.024   0.186    24.406    0.000    0.000
LGA    K   124_A      K   124_A    27.576     0    0.034   1.008    35.372    0.000    0.000
LGA    I   125_A      I   125_A    27.358     0    0.085   0.642    28.439    0.000    0.000
LGA    L   126_A      L   126_A    24.463     0    0.081   0.127    27.318    0.000    0.000
LGA    R   127_A      R   127_A    28.540     0    0.063   1.118    36.782    0.000    0.000
LGA    Q   128_A      Q   128_A    33.992     0    0.112   0.882    37.009    0.000    0.000
LGA    R   129_A      R   129_A    32.837     0    0.034   1.361    37.910    0.000    0.000
LGA    C   130_A      C   130_A    30.161     0    0.032   0.164    33.057    0.000    0.000
LGA    G   131_A      G   131_A    35.715     0    0.623   0.623    38.811    0.000    0.000
LGA    L   132_A      L   132_A    40.960     0    0.600   1.078    42.744    0.000    0.000
LGA    D   133_A      D   133_A    39.899     0    0.182   1.108    40.503    0.000    0.000
LGA    N   134_A      N   134_A    42.021     0    0.298   0.890    45.031    0.000    0.000
LGA    T   135_A      T   135_A    46.793     0    0.605   1.329    48.566    0.000    0.000
LGA    K   136_A      K   136_A    48.600     0    0.574   1.300    48.600    0.000    0.000
LGA    Q   137_A      Q   137_A    48.961     0    0.610   1.088    50.746    0.000    0.000
LGA    D   138_A      D   138_A    53.015     0    0.640   1.227    55.033    0.000    0.000
LGA    D   139_A      D   139_A    57.911     0    0.577   0.486    61.788    0.000    0.000
LGA    R   140_A      R   140_A    55.272     0    0.512   1.474    57.707    0.000    0.000
LGA    P   141_A      P   141_A    51.515     0    0.681   0.652    54.230    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):    17.896         17.808                 18.559           19.082   15.539

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     36    2.84    23.582    20.557     1.226

LGA_LOCAL      RMSD:   2.837  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.186  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  17.896  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.626697 * X  +   0.685306 * Y  +  -0.370955 * Z  +  16.756598
  Y_new =   0.544536 * X  +   0.044601 * Y  +  -0.837551 * Z  + 114.704521
  Z_new =  -0.557434 * X  +  -0.726888 * Y  +  -0.401124 * Z  +  28.019812 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.426229  0.591292 -2.075049   [DEG:  139.0127   33.8785 -118.8916 ]
ZXZ: -0.416937  1.983540 -2.487378   [DEG:  -23.8887  113.6485 -142.5162 ]
 
# END of job
