
#######################################################
#                                                     #
#                        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  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       3_A - 67_A        4.89    14.18
  LCS_AVERAGE:     34.33

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      16_A - 37_A        1.97    13.52
  LONGEST_CONTINUOUS_SEGMENT:    22      17_A - 38_A        1.96    13.58
  LCS_AVERAGE:     10.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     119_A - 134_A       0.90    21.65
  LCS_AVERAGE:      6.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A      3    8   65      1    3   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     V     4_A     V     4_A      7   10   65      3    3    8    9   11   12   15   27   30   41   44   56   59   66   68   72   76   78   82   84 
LCS_GDT     D     5_A     D     5_A      7   10   65      3    5    8    9   11   16   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     K     6_A     K     6_A      7   10   65      3    5    8    9   11   18   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     R     7_A     R     7_A      7   10   65      3    5    8    9   13   21   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     K     8_A     K     8_A      7   10   65      3    5    8    9   13   18   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     I     9_A     I     9_A      7   10   65      3    5    8    9   17   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     K    10_A     K    10_A      7   10   65      4    5    8   12   17   20   26   33   38   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     I    11_A     I    11_A      5   10   65      3    4    8   12   18   23   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     I    12_A     I    12_A      5   12   65      3    4    8   12   18   23   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     L    13_A     L    13_A      5   14   65      3    6   15   15   18   25   30   36   42   46   52   58   61   66   69   73   76   78   81   84 
LCS_GDT     N    14_A     N    14_A      5   14   65      3    5    9   14   18   23   26   29   35   38   44   48   57   64   67   71   75   77   80   82 
LCS_GDT     G    15_A     G    15_A      9   15   65      3    7   12   16   20   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     E    16_A     E    16_A      9   22   65      3    7   12   17   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     M    17_A     M    17_A     10   22   65      5   10   15   20   23   25   29   35   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     E    18_A     E    18_A     10   22   65      4   10   15   20   23   25   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     E    19_A     E    19_A     10   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     A    20_A     A    20_A     10   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     E    21_A     E    21_A     10   22   65      4   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     L    22_A     L    22_A     10   22   65      4   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     H    23_A     H    23_A     10   22   65      3   10   13   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     M    24_A     M    24_A     10   22   65      3   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     I    25_A     I    25_A     10   22   65      3   10   13   20   22   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     T    26_A     T    26_A     10   22   65      2    8   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     S    27_A     S    27_A      6   22   65      3    7   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     P    28_A     P    28_A      9   22   65      4    5    8   13   22   25   28   32   40   46   53   57   61   66   69   74   76   78   82   84 
LCS_GDT     N    29_A     N    29_A      9   22   65      4    7   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     R    30_A     R    30_A      9   22   65      4   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     H    31_A     H    31_A      9   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     C    32_A     C    32_A      9   22   65      5   10   14   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     C    33_A     C    33_A      9   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     L    34_A     L    34_A      9   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     K    35_A     K    35_A      9   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     I    36_A     I    36_A      9   22   65      5   10   15   20   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     F    37_A     F    37_A      7   22   65      3    5    9   12   18   25   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     H    38_A     H    38_A      7   22   65      3    6   12   17   22   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     N    39_A     N    39_A      7   15   65      3    5    9   12   16   21   27   32   35   42   46   51   61   66   69   74   76   78   82   84 
LCS_GDT     N    40_A     N    40_A      7   12   65      3    6    8   12   16   20   27   32   35   39   46   50   57   63   67   74   76   78   82   84 
LCS_GDT     N    41_A     N    41_A      7   12   65      4    6   10   15   20   25   29   32   40   44   48   54   61   66   69   74   76   78   82   84 
LCS_GDT     Q    42_A     Q    42_A      7   10   65      4    7   12   17   23   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     L    43_A     L    43_A      7   10   65      4    5    8    9   14   17   26   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     A    44_A     A    44_A      7   10   65      4    6    8    9   13   17   29   33   37   45   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     E    45_A     E    45_A      4    9   65      3    3    5    9   15   23   29   35   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     S    46_A     S    46_A      4    9   65      3    3    7    9   13   17   28   33   37   41   49   57   61   66   69   74   76   78   82   84 
LCS_GDT     N    47_A     N    47_A      4    7   65      2    7   14   20   23   25   29   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     D    48_A     D    48_A      4    6   65      4    7   11   19   23   25   29   35   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     T    49_A     T    49_A      4   15   65      3    5    7   11   14   16   24   30   40   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     D    50_A     D    50_A     14   16   65      8   13   15   15   18   23   26   29   34   38   45   51   58   64   68   74   76   78   82   84 
LCS_GDT     Y    51_A     Y    51_A     14   16   65      8   13   15   15   18   23   26   29   35   42   51   58   61   66   69   74   76   78   82   84 
LCS_GDT     F    52_A     F    52_A     14   16   65      8   13   15   15   18   25   26   30   35   42   51   58   61   66   69   74   76   78   82   84 
LCS_GDT     S    53_A     S    53_A     14   16   65      8   13   15   15   18   23   26   30   35   41   49   58   61   66   69   74   76   78   82   84 
LCS_GDT     C    54_A     C    54_A     14   16   65      9   13   15   15   18   23   26   29   34   42   49   58   61   66   69   74   76   78   82   84 
LCS_GDT     F    55_A     F    55_A     14   16   65      9   13   15   15   18   25   27   32   40   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     A    56_A     A    56_A     14   16   65      9   13   15   15   18   25   27   32   40   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     D    57_A     D    57_A     14   16   65      9   13   15   15   18   23   26   29   34   42   52   58   61   66   69   74   76   78   82   84 
LCS_GDT     L    58_A     L    58_A     14   16   65      9   13   15   15   18   23   26   31   39   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     R    59_A     R    59_A     14   16   65      9   13   15   15   18   23   28   32   40   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     N    60_A     N    60_A     14   16   65      9   13   15   15   18   23   26   32   40   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     Q    61_A     Q    61_A     14   16   65      9   13   15   15   18   23   26   29   34   41   52   58   61   66   69   74   76   78   82   84 
LCS_GDT     L    62_A     L    62_A     14   16   65      9   13   15   15   18   23   26   29   39   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     K    63_A     K    63_A     14   16   65      3    7   15   15   18   23   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     N    64_A     N    64_A      7   16   65      3    6    9   16   20   25   30   36   42   46   48   55   61   66   68   72   76   78   81   84 
LCS_GDT     I    65_A     I    65_A      7   16   65      3    6    9   14   20   25   30   36   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     I    66_A     I    66_A      7   16   65      3    6    9   14   18   22   26   29   34   40   48   56   61   66   69   74   76   78   82   84 
LCS_GDT     F    67_A     F    67_A      7   16   65      3    6    7   14   18   23   26   29   34   38   50   57   61   66   69   74   76   78   82   84 
LCS_GDT     L    68_A     L    68_A      7   16   64      3    6    8   14   18   22   25   29   32   34   36   42   46   54   60   65   71   75   80   83 
LCS_GDT     C    69_A     C    69_A      7   16   55      3    6    7   13   18   23   26   29   34   38   41   48   57   64   68   71   75   77   80   84 
LCS_GDT     K    70_A     K    70_A      7   16   33      3    3    7   13   18   22   26   29   32   38   40   42   49   55   62   67   71   76   80   81 
LCS_GDT     G    71_A     G    71_A      4    8   33      3    3    5    5    6    8    8   20   25   38   41   48   56   64   68   71   75   77   80   83 
LCS_GDT     A    72_A     A    72_A      4    6   33      3    3    5    5    6   14   17   20   25   28   33   41   48   55   62   68   73   77   80   81 
LCS_GDT     K    73_A     K    73_A      4    6   33      1    3    4    4    6    7    8   16   27   32   35   41   45   54   61   65   71   77   80   81 
LCS_GDT     I    74_A     I    74_A      4    6   33      4    5    8   14   18   22   25   29   32   38   40   48   58   64   68   71   75   77   80   84 
LCS_GDT     N    75_A     N    75_A      4    6   30      4    4    4    6    7    8   11   14   16   21   31   35   46   57   64   69   73   77   81   84 
LCS_GDT     V    76_A     V    76_A      4    6   30      4    4    4    9   17   25   26   29   35   41   47   56   59   63   67   74   76   78   82   84 
LCS_GDT     Y    77_A     Y    77_A      4    6   29      4    4    4    6    8   14   21   29   33   42   46   54   60   66   68   74   76   78   82   84 
LCS_GDT     P    78_A     P    78_A      4    5   25      3    4    6    6    8    9   18   24   30   42   46   52   60   65   68   72   76   78   82   84 
LCS_GDT     S    79_A     S    79_A      4    5   25      3    4    4    5    7    9   14   17   24   33   38   48   55   62   66   72   75   78   82   84 
LCS_GDT     A    80_A     A    80_A      3    5   25      3    4    4    5    5    8   13   17   21   27   28   38   43   47   54   65   72   75   80   83 
LCS_GDT     M    81_A     M    81_A      3    5   25      3    3    4    4    5    9   14   17   23   28   33   46   55   62   66   72   75   78   82   84 
LCS_GDT     S    82_A     S    82_A      3    4   25      3    3    4    6    9   15   26   32   36   42   50   56   61   66   69   74   76   78   82   84 
LCS_GDT     R    83_A     R    83_A      3    4   25      3    7   12   16   20   25   28   33   42   46   53   57   61   66   69   74   76   78   82   84 
LCS_GDT     D    84_A     D    84_A      4    4   25      3    4    4    6   11   21   24   29   36   40   50   56   60   66   69   74   76   78   82   84 
LCS_GDT     M    85_A     M    85_A      4    4   25      3    4    4    5    6    8   23   31   36   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     S    86_A     S    86_A      4    5   25      3    4    6   15   18   24   29   35   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     D    87_A     D    87_A      4    5   25      3    6   12   17   21   25   30   36   42   46   53   57   61   66   69   74   76   78   82   84 
LCS_GDT     G    88_A     G    88_A      4    9   25      3    4    5    7   16   18   19   30   34   40   46   52   61   65   69   74   76   78   82   84 
LCS_GDT     I    89_A     I    89_A      5    9   25      3    4    7   11   18   23   29   34   42   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     V    90_A     V    90_A      5    9   25      3    4    7    8   14   19   26   32   37   46   53   58   61   66   69   74   76   78   82   84 
LCS_GDT     A    91_A     A    91_A      5    9   25      3    4    7    8    9   11   14   21   24   36   42   50   58   65   68   74   76   78   82   84 
LCS_GDT     Y    92_A     Y    92_A      5    9   25      3    4    7    8    9   13   17   21   23   27   38   46   55   62   67   72   76   78   82   84 
LCS_GDT     E    93_A     E    93_A      5    9   25      3    4    7    8    8   11   15   22   31   38   44   52   58   65   68   74   76   78   82   84 
LCS_GDT     T    94_A     T    94_A      5    9   25      3    4    6    8   11   13   18   20   24   27   38   48   55   59   66   70   74   78   82   84 
LCS_GDT     T    95_A     T    95_A      6    9   25      3    4    7    8    9   11   17   20   23   27   30   38   45   53   60   67   72   75   79   82 
LCS_GDT     L    96_A     L    96_A      6    9   25      3    4    7    8    9   13   16   20   23   27   28   32   36   47   54   57   60   67   73   75 
LCS_GDT     G    97_A     G    97_A      6    9   25      3    4    6    6    8   10   14   17   21   27   28   31   35   42   48   51   60   64   66   68 
LCS_GDT     Q    98_A     Q    98_A      6    7   25      3    4    6    6    7    9   12   16   21   27   28   31   35   42   48   56   60   64   67   71 
LCS_GDT     P    99_A     P    99_A      6    8   25      3    4    6    7    8   11   12   16   17   20   21   26   30   34   48   51   54   62   67   71 
LCS_GDT     G   100_A     G   100_A      6    8   25      3    5    6    7    8   11   12   14   17   20   22   29   45   53   54   62   69   75   77   81 
LCS_GDT     L   101_A     L   101_A      6    8   24      3    5    6    7    8   11   12   16   17   27   30   37   41   57   59   62   69   71   73   79 
LCS_GDT     P   102_A     P   102_A      6    8   20      4    5    6    7    8   11   12   16   17   20   21   26   34   41   45   51   58   65   69   71 
LCS_GDT     E   103_A     E   103_A      6    8   20      4    5    6    7    8   11   12   16   17   30   31   39   40   51   52   62   69   70   74   79 
LCS_GDT     N   104_A     N   104_A      6    8   20      4    5    6    7    8   11   21   29   32   37   44   52   59   63   67   72   75   78   82   84 
LCS_GDT     Q   105_A     Q   105_A      6    8   20      4    5    6    7    8   11   12   16   20   36   39   47   53   62   65   72   75   78   82   84 
LCS_GDT     V   106_A     V   106_A      3    8   20      3    3    3    9    9   17   18   18   20   36   42   46   54   61   65   68   74   77   82   84 
LCS_GDT     H   107_A     H   107_A      4    5   20      3    3    4    9    9   17   18   18   20   21   25   26   30   46   53   56   64   71   77   82 
LCS_GDT     I   108_A     I   108_A      4    6   20      3    3    4    4   11   17   18   18   22   24   25   27   30   32   48   66   74   77   81   84 
LCS_GDT     F   109_A     F   109_A      4    6   20      3    4    5    5    6    9   12   16   22   24   25   27   37   41   54   60   64   71   77   82 
LCS_GDT     D   110_A     D   110_A      4    6   25      3    4    5    6   11   13   17   18   22   24   25   33   37   41   49   56   61   68   77   79 
LCS_GDT     F   111_A     F   111_A      4    9   25      3    4    5   12   14   18   19   21   23   27   28   30   32   33   40   42   45   48   52   64 
LCS_GDT     E   112_A     E   112_A      4    9   25      3    4    5    7    9    9   18   19   20   25   27   30   32   33   40   42   45   48   52   56 
LCS_GDT     D   113_A     D   113_A      4    9   25      3    3    5    7    9   18   20   20   20   21   23   25   30   33   40   42   45   48   52   56 
LCS_GDT     K   114_A     K   114_A      4    9   25      3    4    4    7    9    9   12   15   17   20   21   23   27   33   36   42   45   50   58   59 
LCS_GDT     Y   115_A     Y   115_A      4    9   25      3    4    5    6    9    9    9   14   16   20   21   27   34   37   40   47   52   54   58   61 
LCS_GDT     V   116_A     V   116_A      4   16   25      3    4    5    7   12   18   20   20   21   25   27   30   32   36   40   46   52   54   56   60 
LCS_GDT     D   117_A     D   117_A      4   18   25      3    4    5    7   10   17   20   20   20   23   27   30   32   33   40   42   45   48   53   56 
LCS_GDT     I   118_A     I   118_A      4   18   25      3    4    9   14   16   18   20   21   23   27   31   34   39   48   48   51   53   55   61   67 
LCS_GDT     T   119_A     T   119_A     16   18   25      8   12   15   16   16   18   20   21   23   27   31   32   33   42   46   49   52   54   60   62 
LCS_GDT     P   120_A     P   120_A     16   18   25     11   12   15   16   16   18   20   21   23   30   34   36   39   43   47   49   52   54   60   62 
LCS_GDT     E   121_A     E   121_A     16   18   25     11   12   15   16   16   18   20   21   23   29   32   35   39   40   46   47   50   53   55   60 
LCS_GDT     E   122_A     E   122_A     16   18   25     11   12   15   16   16   18   20   25   28   33   37   38   40   43   47   49   52   55   62   64 
LCS_GDT     Q   123_A     Q   123_A     16   18   25     11   12   15   16   16   18   23   27   35   36   38   41   45   48   54   57   64   71   72   74 
LCS_GDT     R   124_A     R   124_A     16   18   25     11   12   15   16   16   18   20   21   23   27   32   37   39   42   46   48   52   55   60   63 
LCS_GDT     K   125_A     K   125_A     16   18   25     11   12   15   16   16   18   20   21   23   27   28   30   32   33   40   44   50   53   54   60 
LCS_GDT     F   126_A     F   126_A     16   18   25     11   12   15   16   16   18   20   21   23   27   28   30   36   42   46   48   52   55   66   67 
LCS_GDT     H   127_A     H   127_A     16   18   25     11   12   15   16   16   18   20   21   23   27   28   30   32   33   40   42   45   48   60   63 
LCS_GDT     S   128_A     S   128_A     16   18   25     11   12   15   16   16   18   20   21   23   27   28   30   32   33   40   42   45   48   52   56 
LCS_GDT     Q   129_A     Q   129_A     16   18   25     11   12   15   16   16   18   20   21   23   27   28   30   32   33   40   42   45   48   52   56 
LCS_GDT     W   130_A     W   130_A     16   18   25     11   12   15   16   16   18   20   21   23   27   28   30   32   33   40   42   45   48   52   56 
LCS_GDT     F   131_A     F   131_A     16   18   25      5   12   15   16   16   18   20   21   23   27   28   30   32   33   40   42   45   48   52   56 
LCS_GDT     E   132_A     E   132_A     16   18   25      5   12   15   16   16   18   20   21   23   27   28   30   32   33   40   42   45   48   52   56 
LCS_GDT     S   133_A     S   133_A     16   18   25      5    5   15   16   16   18   20   21   23   27   28   29   32   33   36   39   42   45   51   55 
LCS_GDT     L   134_A     L   134_A     16   18   25      3    5   14   16   16   18   20   21   23   27   28   30   32   33   36   39   41   44   48   52 
LCS_AVERAGE  LCS_A:  16.85  (   6.14   10.10   34.33 )

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     13     15     20     23     25     30     36     42     46     53     58     61     66     69     74     76     78     82     84 
GDT PERCENT_AT   8.33   9.85  11.36  15.15  17.42  18.94  22.73  27.27  31.82  34.85  40.15  43.94  46.21  50.00  52.27  56.06  57.58  59.09  62.12  63.64
GDT RMS_LOCAL    0.31   0.53   0.80   1.33   1.72   1.87   2.49   2.80   3.05   3.27   3.75   4.12   4.23   4.54   4.71   5.13   5.16   5.31   5.71   5.80
GDT RMS_ALL_AT  21.40  16.54  21.52  13.89  13.69  13.50  13.78  13.77  13.72  13.62  13.56  13.96  13.75  13.69  13.63  13.60  13.53  13.59  13.71  13.65

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  D   117_A      D   117_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   126_A      F   126_A
#   possible swapping detected:  F   131_A      F   131_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     3.736     3    0.127   0.162     6.884   27.381   20.833
LGA    V     4_A      V     4_A     8.511     0    0.596   0.521    12.736    6.548    3.741
LGA    D     5_A      D     5_A     5.602     0    0.095   0.942     6.295   24.048   25.298
LGA    K     6_A      K     6_A     4.901     0    0.303   0.328     9.860   36.190   20.635
LGA    R     7_A      R     7_A     3.910     0    0.052   0.890     7.862   41.786   31.039
LGA    K     8_A      K     8_A     3.974     0    0.110   0.340     8.146   41.786   29.101
LGA    I     9_A      I     9_A     2.793     0    0.085   1.204     4.829   45.476   55.179
LGA    K    10_A      K    10_A     4.922     0    0.674   1.002    12.348   31.905   18.677
LGA    I    11_A      I    11_A     3.940     0    0.477   1.620     6.159   37.262   35.238
LGA    I    12_A      I    12_A     4.043     0    0.152   0.195     7.298   38.690   29.821
LGA    L    13_A      L    13_A     3.638     0    0.064   0.839     6.019   34.167   39.643
LGA    N    14_A      N    14_A     6.906     0    0.430   0.395    12.425   19.524   10.119
LGA    G    15_A      G    15_A     1.690     0    0.185   0.185     2.853   71.071   71.071
LGA    E    16_A      E    16_A     1.720     0    0.274   0.617     5.940   75.000   54.603
LGA    M    17_A      M    17_A     4.255     0    0.120   1.203     8.538   35.952   23.512
LGA    E    18_A      E    18_A     3.561     0    0.055   0.972     6.594   46.667   38.148
LGA    E    19_A      E    19_A     2.704     0    0.136   1.138     5.887   59.167   45.556
LGA    A    20_A      A    20_A     1.978     0    0.101   0.093     2.556   64.881   66.476
LGA    E    21_A      E    21_A     1.599     0    0.093   0.278     1.978   77.143   80.529
LGA    L    22_A      L    22_A     1.485     0    0.085   0.971     5.206   79.286   69.345
LGA    H    23_A      H    23_A     2.259     0    0.064   0.719     5.280   66.786   53.952
LGA    M    24_A      M    24_A     2.375     0    0.129   1.426     6.117   55.595   51.905
LGA    I    25_A      I    25_A     3.460     0    0.339   1.050     5.645   48.571   47.619
LGA    T    26_A      T    26_A     1.909     0    0.079   0.090     2.061   70.833   74.150
LGA    S    27_A      S    27_A     2.276     0    0.386   0.457     2.834   60.952   63.571
LGA    P    28_A      P    28_A     5.094     0    0.697   0.617     6.895   32.976   28.503
LGA    N    29_A      N    29_A     2.228     0    0.185   1.058     5.395   67.262   52.619
LGA    R    30_A      R    30_A     2.345     0    0.152   1.377     9.386   63.095   37.619
LGA    H    31_A      H    31_A     1.540     0    0.161   1.434     5.152   70.833   63.190
LGA    C    32_A      C    32_A     2.713     0    0.058   0.807     6.029   64.881   53.333
LGA    C    33_A      C    33_A     0.792     0    0.091   0.814     3.068   75.476   70.794
LGA    L    34_A      L    34_A     2.328     0    0.053   0.081     5.815   66.905   50.833
LGA    K    35_A      K    35_A     0.847     0    0.180   0.854     2.817   92.857   77.354
LGA    I    36_A      I    36_A     1.610     0    0.113   1.153     7.832   75.476   50.655
LGA    F    37_A      F    37_A     3.931     0    0.100   1.407    11.860   40.952   16.797
LGA    H    38_A      H    38_A     2.520     0    0.059   0.931     7.761   45.476   38.714
LGA    N    39_A      N    39_A     6.254     0    0.478   0.990     6.749   20.476   18.333
LGA    N    40_A      N    40_A     7.064     0    0.247   0.251    10.882   16.905    8.929
LGA    N    41_A      N    41_A     4.989     0    0.179   0.747     5.663   33.333   29.821
LGA    Q    42_A      Q    42_A     1.010     0    0.081   0.161     6.475   71.190   51.587
LGA    L    43_A      L    43_A     4.176     0    0.569   0.549     7.309   38.690   27.262
LGA    A    44_A      A    44_A     6.178     0    0.155   0.213     8.842   20.476   16.952
LGA    E    45_A      E    45_A     4.813     0    0.115   0.614     5.239   28.810   35.026
LGA    S    46_A      S    46_A     6.815     0    0.252   0.641    10.344   17.262   11.746
LGA    N    47_A      N    47_A     3.499     0    0.223   0.770     4.817   43.452   46.250
LGA    D    48_A      D    48_A     4.360     0    0.559   1.283     6.944   30.238   24.345
LGA    T    49_A      T    49_A     9.321     0    0.238   1.053    11.690    2.143    1.224
LGA    D    50_A      D    50_A    12.932     0    0.725   1.074    16.076    0.000    0.000
LGA    Y    51_A      Y    51_A    10.281     0    0.093   1.251    11.623    0.119    1.190
LGA    F    52_A      F    52_A    11.013     0    0.091   1.120    15.020    0.000    0.000
LGA    S    53_A      S    53_A    11.879     0    0.052   0.634    13.872    0.000    0.000
LGA    C    54_A      C    54_A    10.191     0    0.046   0.088    10.827    0.714    0.556
LGA    F    55_A      F    55_A     8.491     0    0.029   1.049     9.159    3.452    6.104
LGA    A    56_A      A    56_A     9.572     0    0.031   0.030    10.466    0.952    0.762
LGA    D    57_A      D    57_A    10.070     0    0.029   0.959    10.809    0.833    0.893
LGA    L    58_A      L    58_A     7.765     0    0.046   1.253     8.630    8.810   10.952
LGA    R    59_A      R    59_A     6.697     0    0.070   1.066    12.094   11.667    6.234
LGA    N    60_A      N    60_A     8.250     0    0.091   0.936     9.440    5.357    6.310
LGA    Q    61_A      Q    61_A     8.204     0    0.137   0.309     9.520    5.952    3.862
LGA    L    62_A      L    62_A     5.985     0    0.529   0.565     6.703   19.524   18.929
LGA    K    63_A      K    63_A     3.677     0    0.090   0.962    13.787   59.524   30.899
LGA    N    64_A      N    64_A     3.125     0    0.319   1.259     7.043   49.048   34.048
LGA    I    65_A      I    65_A     2.283     0    0.146   1.449     5.970   63.095   50.655
LGA    I    66_A      I    66_A     5.844     0    0.038   1.099    10.318   17.024   10.476
LGA    F    67_A      F    67_A     7.112     0    0.097   0.276     8.004   11.905   11.602
LGA    L    68_A      L    68_A    11.291     0    0.130   0.146    14.665    0.119    0.060
LGA    C    69_A      C    69_A    11.272     0    0.051   0.760    12.005    0.000    0.079
LGA    K    70_A      K    70_A    13.713     0    0.650   1.145    25.082    0.000    0.000
LGA    G    71_A      G    71_A    10.680     0    0.580   0.580    11.939    0.000    0.000
LGA    A    72_A      A    72_A    12.164     0    0.689   0.624    13.591    0.000    0.000
LGA    K    73_A      K    73_A    16.029     0    0.031   0.650    25.660    0.000    0.000
LGA    I    74_A      I    74_A    13.429     0    0.679   0.826    14.900    0.000    0.060
LGA    N    75_A      N    75_A    16.959     0    0.087   0.195    22.879    0.000    0.000
LGA    V    76_A      V    76_A    14.619     0    0.079   0.092    17.355    0.000    0.000
LGA    Y    77_A      Y    77_A    13.484     0    0.035   1.292    15.620    0.000    0.000
LGA    P    78_A      P    78_A    13.449     0    0.641   0.980    14.024    0.000    0.000
LGA    S    79_A      S    79_A    14.846     0    0.610   0.755    16.951    0.000    0.000
LGA    A    80_A      A    80_A    15.012     0    0.108   0.118    15.415    0.000    0.000
LGA    M    81_A      M    81_A    13.652     0    0.600   1.024    17.995    0.000    0.000
LGA    S    82_A      S    82_A     8.075     0    0.268   0.269    10.230   10.833   11.111
LGA    R    83_A      R    83_A     5.289     0    0.338   1.863     9.220   23.929   18.398
LGA    D    84_A      D    84_A     6.142     0    0.579   0.486     9.557   16.429   11.012
LGA    M    85_A      M    85_A     7.944     0    0.040   0.982    15.910   11.190    5.655
LGA    S    86_A      S    86_A     4.245     0    0.279   0.334     4.790   42.262   40.635
LGA    D    87_A      D    87_A     2.670     0    0.612   1.264     7.660   65.000   43.631
LGA    G    88_A      G    88_A     6.300     0    0.275   0.275     6.300   21.667   21.667
LGA    I    89_A      I    89_A     4.995     0    0.598   1.633     7.978   32.976   29.464
LGA    V    90_A      V    90_A     7.498     0    0.078   1.200    11.661    7.143    4.354
LGA    A    91_A      A    91_A     9.520     0    0.183   0.271    10.088    1.667    1.619
LGA    Y    92_A      Y    92_A    12.186     0    0.068   0.953    19.241    0.000    0.000
LGA    E    93_A      E    93_A    10.492     0    0.150   1.565    12.173    0.000    5.132
LGA    T    94_A      T    94_A    14.288     0    0.208   1.059    15.849    0.000    0.000
LGA    T    95_A      T    95_A    16.239     0    0.138   1.138    19.024    0.000    0.000
LGA    L    96_A      L    96_A    21.175     0    0.125   0.155    25.830    0.000    0.000
LGA    G    97_A      G    97_A    25.522     0    0.270   0.270    26.281    0.000    0.000
LGA    Q    98_A      Q    98_A    23.683     0    0.111   0.493    23.767    0.000    0.000
LGA    P    99_A      P    99_A    23.739     0    0.428   0.815    27.106    0.000    0.000
LGA    G   100_A      G   100_A    18.948     0    0.647   0.647    20.843    0.000    0.000
LGA    L   101_A      L   101_A    22.797     0    0.211   0.245    24.686    0.000    0.000
LGA    P   102_A      P   102_A    25.677     0    0.043   0.068    29.594    0.000    0.000
LGA    E   103_A      E   103_A    24.824     0    0.176   1.116    30.281    0.000    0.000
LGA    N   104_A      N   104_A    17.658     0    0.214   1.120    20.464    0.000    0.000
LGA    Q   105_A      Q   105_A    16.963     0    0.602   1.092    19.941    0.000    0.000
LGA    V   106_A      V   106_A    17.235     0    0.620   1.435    18.074    0.000    0.000
LGA    H   107_A      H   107_A    18.635     0    0.619   0.672    24.558    0.000    0.000
LGA    I   108_A      I   108_A    12.791     0    0.695   1.006    14.971    0.000    0.000
LGA    F   109_A      F   109_A    14.829     0    0.714   1.361    18.609    0.000    0.000
LGA    D   110_A      D   110_A    19.962     0    0.116   0.674    23.945    0.000    0.000
LGA    F   111_A      F   111_A    23.261     0    0.632   0.526    29.672    0.000    0.000
LGA    E   112_A      E   112_A    22.195     0    0.186   1.232    26.031    0.000    0.000
LGA    D   113_A      D   113_A    23.737     0    0.230   1.088    28.466    0.000    0.000
LGA    K   114_A      K   114_A    22.217     0    0.398   1.343    27.790    0.000    0.000
LGA    Y   115_A      Y   115_A    17.990     0    0.309   0.369    27.135    0.000    0.000
LGA    V   116_A      V   116_A    14.769     0    0.114   1.239    16.278    0.000    0.000
LGA    D   117_A      D   117_A    16.097     0    0.139   1.109    21.884    0.000    0.000
LGA    I   118_A      I   118_A    13.495     0    0.063   1.220    13.987    0.000    0.655
LGA    T   119_A      T   119_A    16.349     0    0.413   0.467    18.007    0.000    0.000
LGA    P   120_A      P   120_A    16.151     0    0.059   0.079    18.249    0.000    0.000
LGA    E   121_A      E   121_A    21.029     0    0.074   1.300    27.638    0.000    0.000
LGA    E   122_A      E   122_A    16.789     0    0.072   1.155    18.258    0.000    0.000
LGA    Q   123_A      Q   123_A    12.437     0    0.031   0.166    14.659    0.000    4.180
LGA    R   124_A      R   124_A    18.512     0    0.054   1.220    21.298    0.000    0.000
LGA    K   125_A      K   125_A    22.208     0    0.031   1.251    28.267    0.000    0.000
LGA    F   126_A      F   126_A    18.042     0    0.054   0.340    20.450    0.000    0.000
LGA    H   127_A      H   127_A    19.222     0    0.036   1.567    23.587    0.000    0.000
LGA    S   128_A      S   128_A    26.218     0    0.044   0.115    29.334    0.000    0.000
LGA    Q   129_A      Q   129_A    27.477     0    0.101   0.170    29.593    0.000    0.000
LGA    W   130_A      W   130_A    25.877     0    0.067   1.151    29.287    0.000    0.000
LGA    F   131_A      F   131_A    28.703     0    0.096   1.667    33.264    0.000    0.000
LGA    E   132_A      E   132_A    34.696     0    0.180   0.991    37.894    0.000    0.000
LGA    S   133_A      S   133_A    35.120     0    0.186   0.292    37.848    0.000    0.000
LGA    L   134_A      L   134_A    36.439     0    0.235   0.306    40.564    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):    12.973         12.949                 13.861           20.508   17.143

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     36    2.80    27.083    22.855     1.243

LGA_LOCAL      RMSD:   2.797  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.768  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  12.973  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.275938 * X  +  -0.608667 * Y  +  -0.743897 * Z  +  -8.148665
  Y_new =   0.955250 * X  +   0.259464 * Y  +   0.142040 * Z  + -42.142586
  Z_new =   0.106559 * X  +  -0.749802 * Y  +   0.653025 * Z  +   2.341640 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.289587 -0.106762 -0.854277   [DEG:   73.8879   -6.1170  -48.9464 ]
ZXZ: -1.759465  0.859225  3.000421   [DEG: -100.8099   49.2299  171.9115 ]
 
# END of job
