
#######################################################
#                                                     #
#                        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:    37      66_A - 102_A       4.99    11.90
  LCS_AVERAGE:     25.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      23_A - 39_A        1.77    30.15
  LCS_AVERAGE:      8.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:     9     123_A - 131_A       0.83    17.91
  LCS_AVERAGE:      3.90

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      4   10   36      4    9   12   17   19   25   30   36   39   44   46   49   53   56   61   65   68   71   75   79 
LCS_GDT     V     4_A     V     4_A      4   10   36      4    9   12   17   19   25   30   36   39   44   46   49   53   56   61   65   68   71   75   79 
LCS_GDT     D     5_A     D     5_A      6   10   36      4    9   12   17   19   25   30   36   39   43   46   49   53   56   61   65   68   71   75   79 
LCS_GDT     K     6_A     K     6_A      6   10   36      4    6    9   17   19   25   30   32   37   43   47   49   53   56   59   63   68   71   75   79 
LCS_GDT     R     7_A     R     7_A      6   11   36      4    6   11   16   19   25   30   32   38   43   47   49   53   56   59   63   68   71   75   79 
LCS_GDT     K     8_A     K     8_A      6   11   36      4    6   11   16   19   25   30   32   38   43   47   49   51   55   59   62   66   70   75   78 
LCS_GDT     I     9_A     I     9_A      6   11   36      4    6   10   16   18   22   27   31   38   43   47   49   53   56   61   66   69   73   79   82 
LCS_GDT     K    10_A     K    10_A      6   11   36      4    5   10   16   22   27   28   31   36   41   46   50   58   62   63   67   70   76   79   82 
LCS_GDT     I    11_A     I    11_A      4   11   36      4    8   13   16   23   27   30   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     I    12_A     I    12_A      4   11   36      4    7   13   19   23   25   30   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     L    13_A     L    13_A      4   11   36      3    4    9   12   16   25   30   36   39   44   47   51   57   62   66   69   73   77   81   83 
LCS_GDT     N    14_A     N    14_A      4   12   36      3    5    7   10   15   25   30   36   39   44   47   51   56   59   64   69   73   77   81   83 
LCS_GDT     G    15_A     G    15_A      4   16   36      4    6   11   16   20   25   30   36   39   44   47   54   59   64   66   69   73   77   81   83 
LCS_GDT     E    16_A     E    16_A      4   16   36      4    7   13   19   23   25   30   32   37   43   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     M    17_A     M    17_A      4   16   36      4    8   11   16   19   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     E    18_A     E    18_A      6   16   36      4    7   13   19   23   27   30   32   37   43   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     E    19_A     E    19_A      6   16   36      4    8   13   19   23   25   30   32   37   41   47   50   58   62   63   67   70   74   79   82 
LCS_GDT     A    20_A     A    20_A      7   16   36      4    7   13   19   23   25   29   36   39   44   50   55   59   64   66   69   73   76   81   83 
LCS_GDT     E    21_A     E    21_A      7   16   36      4    8   13   19   23   25   29   36   39   44   47   53   59   62   64   68   73   75   79   82 
LCS_GDT     L    22_A     L    22_A      7   16   36      4    9   13   19   23   25   30   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     H    23_A     H    23_A      7   17   36      4    8   13   19   23   25   29   35   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     M    24_A     M    24_A      7   17   36      4    9   12   19   23   25   30   33   39   44   48   55   59   64   66   69   73   77   81   83 
LCS_GDT     I    25_A     I    25_A      7   17   36      4    8   13   19   23   25   28   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     T    26_A     T    26_A      7   17   36      4    8   13   19   23   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     S    27_A     S    27_A      6   17   36      3    9   12   18   23   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     P    28_A     P    28_A      6   17   36      3    9   12   17   22   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     N    29_A     N    29_A      6   17   36      3    9   13   19   23   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     R    30_A     R    30_A      6   17   36      3    9   12   17   19   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     H    31_A     H    31_A      6   17   36      3    6   12   17   21   25   30   32   37   42   46   52   58   64   66   69   73   77   81   83 
LCS_GDT     C    32_A     C    32_A      7   17   36      4    8   13   16   23   25   30   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     C    33_A     C    33_A      7   17   36      4    7   13   17   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     L    34_A     L    34_A      7   17   36      4    8   13   17   21   25   28   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     K    35_A     K    35_A      7   17   36      5    7   13   16   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     I    36_A     I    36_A      7   17   36      5    8   13   17   21   25   28   32   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     F    37_A     F    37_A      7   17   36      5    8   12   16   21   25   29   35   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     H    38_A     H    38_A      7   17   36      5    8   13   16   21   25   29   35   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     N    39_A     N    39_A      7   17   31      5    7   12   16   19   24   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     N    40_A     N    40_A      7   15   31      4    6    7   11   16   22   28   32   38   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     N    41_A     N    41_A      7   15   31      4    6    7   12   21   25   29   33   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     Q    42_A     Q    42_A      7   15   31      3    6    7    9   15   22   26   29   36   42   47   51   56   59   64   69   73   77   81   83 
LCS_GDT     L    43_A     L    43_A      7   15   31      3    6    8   12   15   19   23   30   35   42   46   51   56   59   62   69   73   77   81   83 
LCS_GDT     A    44_A     A    44_A      7   15   31      3    6   11   13   17   22   25   30   35   42   46   50   55   58   61   66   70   76   81   83 
LCS_GDT     E    45_A     E    45_A      6   15   31      3    7   11   13   18   22   28   30   35   42   46   50   55   58   61   64   69   76   81   83 
LCS_GDT     S    46_A     S    46_A      6   15   31      3    6   12   17   19   22   28   30   34   39   45   49   52   56   60   63   66   72   76   83 
LCS_GDT     N    47_A     N    47_A      6   15   31      3    6   12   17   19   22   28   30   37   39   45   49   52   56   59   63   65   70   76   81 
LCS_GDT     D    48_A     D    48_A      6   15   31      3    8   11   16   19   25   30   32   37   39   45   49   52   56   60   63   65   71   76   81 
LCS_GDT     T    49_A     T    49_A      6   15   31      3    6    8   19   23   25   28   31   36   40   45   49   52   56   60   65   69   72   76   83 
LCS_GDT     D    50_A     D    50_A      6   15   31      3    6   13   16   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     Y    51_A     Y    51_A      4    9   31      3    4    8   12   17   23   26   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     F    52_A     F    52_A      4    5   31      3    5    9   13   19   22   28   31   37   42   47   51   59   64   66   69   73   77   81   83 
LCS_GDT     S    53_A     S    53_A      3    5   31      3    8   13   19   23   25   28   31   34   39   45   49   52   56   60   63   68   72   76   81 
LCS_GDT     C    54_A     C    54_A      3    4   31      3    7   13   19   23   25   28   31   37   42   46   51   56   62   66   69   73   77   81   83 
LCS_GDT     F    55_A     F    55_A      3    4   31      3    5    9   17   22   25   28   31   37   42   47   51   58   64   66   69   73   77   81   83 
LCS_GDT     A    56_A     A    56_A      3    4   31      3    6   11   16   23   25   28   31   34   39   45   49   52   55   58   61   65   70   75   80 
LCS_GDT     D    57_A     D    57_A      3    4   31      3    5    9   13   19   25   30   32   37   39   42   44   49   53   58   61   65   70   75   78 
LCS_GDT     L    58_A     L    58_A      3    4   31      3    6   10   16   19   25   30   32   37   40   46   50   55   58   61   64   69   75   81   83 
LCS_GDT     R    59_A     R    59_A      3    4   31      3    6   11   16   19   24   30   32   35   39   42   49   52   56   61   63   66   70   76   81 
LCS_GDT     N    60_A     N    60_A      3    5   29      3    5    8   13   17   25   30   32   37   39   42   44   46   49   52   57   58   61   67   72 
LCS_GDT     Q    61_A     Q    61_A      4    9   29      3    4    7   12   17   21   26   29   33   37   40   44   49   53   57   60   65   70   75   78 
LCS_GDT     L    62_A     L    62_A      4    9   29      3    4    9   16   19   22   26   30   37   39   42   46   52   57   61   63   66   70   76   81 
LCS_GDT     K    63_A     K    63_A      4    9   29      3    6   10   14   19   23   26   31   37   39   42   44   47   53   57   62   65   70   74   78 
LCS_GDT     N    64_A     N    64_A      5    9   29      3   12   14   17   20   27   28   30   37   39   42   47   55   57   61   63   66   70   76   81 
LCS_GDT     I    65_A     I    65_A      5    9   29      5   12   14   17   20   27   30   32   37   42   46   51   56   59   62   69   73   77   81   83 
LCS_GDT     I    66_A     I    66_A      5    9   37      3    6   13   19   23   27   29   35   39   44   47   54   59   64   66   69   73   77   81   83 
LCS_GDT     F    67_A     F    67_A      5    9   37      5   12   14   17   22   27   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     L    68_A     L    68_A      5    9   37      3    5   11   15   22   23   28   32   38   43   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     C    69_A     C    69_A      3    9   37      3    8   13   17   22   27   28   36   39   43   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     K    70_A     K    70_A      3    9   37      3    4    6    9   16   23   27   31   37   43   47   55   59   64   66   69   73   77   81   83 
LCS_GDT     G    71_A     G    71_A      4   10   37      4   12   14   17   22   27   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     A    72_A     A    72_A      4   10   37      3    6    6   10   14   23   28   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     K    73_A     K    73_A      4   10   37      3    6    6   10   15   24   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     I    74_A     I    74_A      4   10   37      3    6    7   12   17   23   28   32   38   44   47   51   56   60   64   69   73   75   78   83 
LCS_GDT     N    75_A     N    75_A      4   10   37      4    5   13   16   21   25   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     V    76_A     V    76_A      4   10   37      4    6   11   17   22   27   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     Y    77_A     Y    77_A      4   10   37      3    6   13   16   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     P    78_A     P    78_A      4   10   37      3    4   11   16   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     S    79_A     S    79_A      4   10   37      3    4   11   16   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     A    80_A     A    80_A      4   10   37      3    4    6    9   21   25   28   31   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     M    81_A     M    81_A      4    8   37      3    4    5    8   12   14   20   23   32   35   45   53   59   64   66   69   73   77   81   83 
LCS_GDT     S    82_A     S    82_A      4    7   37      3    4    7   12   16   21   26   33   39   44   48   55   59   64   66   69   73   77   81   83 
LCS_GDT     R    83_A     R    83_A      4    7   37      3    4    5    7   15   19   22   30   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     D    84_A     D    84_A      4    7   37      3    4    9   12   17   23   26   30   37   42   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     M    85_A     M    85_A      4    7   37      3    4    5   10   15   19   27   33   39   44   46   49   53   57   64   69   73   77   81   83 
LCS_GDT     S    86_A     S    86_A      4    7   37      3    4    8   13   19   24   29   36   39   44   46   49   53   56   61   65   68   73   77   83 
LCS_GDT     D    87_A     D    87_A      4    5   37      4    4    6   10   18   21   29   35   39   44   46   50   53   57   64   69   73   77   81   83 
LCS_GDT     G    88_A     G    88_A      4    5   37      3    4    5   10   12   17   29   35   39   44   46   49   53   57   64   69   73   77   81   83 
LCS_GDT     I    89_A     I    89_A      4   14   37      3    5   11   15   19   24   29   36   39   44   47   49   53   56   61   65   68   72   77   83 
LCS_GDT     V    90_A     V    90_A      4   14   37      3    5   11   15   19   24   29   36   39   44   47   49   53   56   61   66   73   77   81   83 
LCS_GDT     A    91_A     A    91_A      4   14   37      3    5    9   15   19   24   29   36   39   44   47   53   59   64   66   69   73   77   81   83 
LCS_GDT     Y    92_A     Y    92_A      5   14   37      5   12   14   16   22   27   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     E    93_A     E    93_A      5   14   37      4    4    8   14   18   24   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     T    94_A     T    94_A      5   14   37      4    6   11   16   21   25   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     T    95_A     T    95_A      5   14   37      4    6   11   16   21   25   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     L    96_A     L    96_A      5   14   37      4    5   11   15   21   25   29   36   39   44   50   55   59   64   66   69   73   76   79   83 
LCS_GDT     G    97_A     G    97_A      4   14   37      3    5   13   15   21   25   29   36   39   44   50   55   59   64   66   69   73   75   78   83 
LCS_GDT     Q    98_A     Q    98_A      4   14   37      3    5   11   15   19   24   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     P    99_A     P    99_A      4   14   37      3    5   11   15   19   24   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     G   100_A     G   100_A      4   14   37      2    5   11   17   19   24   29   36   39   44   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     L   101_A     L   101_A      4   14   37      1    4   11   15   19   24   29   36   39   44   47   53   58   64   65   69   73   77   81   83 
LCS_GDT     P   102_A     P   102_A      3   14   37      2    4    9   15   19   24   29   36   39   44   47   50   55   59   64   69   73   77   81   83 
LCS_GDT     E   103_A     E   103_A      3    9   33      3    3    4   11   13   18   23   28   36   41   47   49   50   55   60   63   66   70   75   83 
LCS_GDT     N   104_A     N   104_A      4    9   33      4    4    6    8   16   21   26   30   36   38   46   49   51   55   60   66   72   77   81   83 
LCS_GDT     Q   105_A     Q   105_A      4    9   33      4    4   10   14   22   27   28   32   39   43   47   49   52   56   60   66   72   77   81   83 
LCS_GDT     V   106_A     V   106_A      4    9   33      4    4    6   13   22   27   28   31   36   43   47   49   51   55   58   63   66   70   81   83 
LCS_GDT     H   107_A     H   107_A      4    9   33      4    5   14   16   20   27   28   31   38   43   47   49   51   55   58   63   64   70   75   79 
LCS_GDT     I   108_A     I   108_A      4    9   33      3    4    7   15   17   23   28   35   39   43   47   49   53   56   61   66   73   77   81   83 
LCS_GDT     F   109_A     F   109_A      4    9   33      3    3    7   13   20   27   28   31   38   43   47   49   53   56   59   63   69   72   77   82 
LCS_GDT     D   110_A     D   110_A      5    9   33      4    4    7   12   17   23   27   30   34   38   41   44   49   53   55   57   62   67   70   78 
LCS_GDT     F   111_A     F   111_A      5    7   33      4    5    5   12   17   23   26   29   32   35   39   43   49   52   56   59   66   69   72   79 
LCS_GDT     E   112_A     E   112_A      5    6   33      4    5    7   10   13   22   28   29   33   39   43   50   58   62   64   67   73   77   81   83 
LCS_GDT     D   113_A     D   113_A      5    7   33      4    6    7    9   13   18   26   29   36   39   46   55   59   64   66   69   73   77   81   83 
LCS_GDT     K   114_A     K   114_A      5    7   33      3    4    5    8   12   17   19   23   33   36   46   55   59   64   66   69   73   77   81   83 
LCS_GDT     Y   115_A     Y   115_A      4    7   33      3    4    7   11   16   22   28   32   39   43   50   55   59   64   66   69   73   77   81   83 
LCS_GDT     V   116_A     V   116_A      4    7   33      3    4    7   10   15   22   28   36   39   44   47   54   59   64   66   69   73   77   81   83 
LCS_GDT     D   117_A     D   117_A      5    7   30      2    8   11   16   19   24   29   36   39   44   47   53   59   64   66   69   73   77   81   83 
LCS_GDT     I   118_A     I   118_A      5    7   24      2    4    7   13   19   25   28   30   34   39   45   49   55   58   61   64   68   72   76   81 
LCS_GDT     T   119_A     T   119_A      5    7   24      3    8   13   19   23   27   28   30   35   39   45   49   52   55   56   59   65   70   72   76 
LCS_GDT     P   120_A     P   120_A      5   13   24      3    4   11   19   23   25   28   31   34   38   44   49   52   55   55   59   61   64   67   74 
LCS_GDT     E   121_A     E   121_A      5   13   24      3    3    6   10   20   24   28   31   34   38   42   43   48   49   52   54   57   60   67   68 
LCS_GDT     E   122_A     E   122_A      3   13   24      3    4   12   19   23   27   28   30   35   39   45   49   52   55   56   59   61   64   67   71 
LCS_GDT     Q   123_A     Q   123_A      9   13   24      3   12   14   17   22   27   28   30   35   39   45   49   52   55   56   59   63   67   71   75 
LCS_GDT     R   124_A     R   124_A      9   13   24      3    8   14   17   22   27   28   30   35   39   45   49   52   55   56   59   61   65   68   74 
LCS_GDT     K   125_A     K   125_A      9   13   24      5   12   14   17   22   27   28   30   35   39   45   49   52   55   56   59   61   63   66   71 
LCS_GDT     F   126_A     F   126_A      9   13   24      3   12   14   17   22   27   28   30   35   39   45   49   52   55   56   59   63   67   69   75 
LCS_GDT     H   127_A     H   127_A      9   13   24      5    7   14   17   22   27   28   30   35   38   44   47   51   55   56   60   63   67   72   76 
LCS_GDT     S   128_A     S   128_A      9   13   24      5   12   14   17   22   27   28   30   35   39   45   49   52   55   56   59   63   67   69   75 
LCS_GDT     Q   129_A     Q   129_A      9   13   24      5   12   14   17   22   27   28   30   35   39   45   49   52   55   56   59   61   65   69   74 
LCS_GDT     W   130_A     W   130_A      9   13   24      5   12   14   17   22   27   28   30   35   38   42   44   49   53   55   59   63   67   70   75 
LCS_GDT     F   131_A     F   131_A      9   13   24      5   12   14   17   22   27   28   30   35   38   42   45   49   53   56   60   63   67   72   76 
LCS_GDT     E   132_A     E   132_A      8   13   24      3    4   11   17   20   27   28   30   35   39   45   47   52   55   56   59   63   67   69   75 
LCS_GDT     S   133_A     S   133_A      3    6   24      3    7   11   15   19   22   25   29   35   36   42   45   49   53   56   59   63   67   71   75 
LCS_GDT     L   134_A     L   134_A      3    6   24      3    3    7   12   18   21   24   30   35   37   42   45   51   54   56   62   65   70   75   80 
LCS_AVERAGE  LCS_A:  12.59  (   3.90    8.68   25.20 )

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      5     12     14     19     23     27     30     36     39     44     50     55     59     64     66     69     73     77     81     83 
GDT PERCENT_AT   3.79   9.09  10.61  14.39  17.42  20.45  22.73  27.27  29.55  33.33  37.88  41.67  44.70  48.48  50.00  52.27  55.30  58.33  61.36  62.88
GDT RMS_LOCAL    0.32   0.65   0.79   1.40   1.59   1.91   2.26   2.68   2.85   3.35   4.04   4.26   4.44   4.72   4.85   5.03   5.45   5.86   6.13   6.17
GDT RMS_ALL_AT  17.09  18.23  18.27  17.63  17.78  18.81  24.10  13.25  13.21  12.29  11.34  11.47  11.49  11.30  11.26  11.25  11.20  11.70  11.73  11.43

# Checking swapping
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  E   122_A      E   122_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     3.231     3    0.178   0.241     5.704   36.905   26.548
LGA    V     4_A      V     4_A     2.435     0    0.032   0.328     6.974   65.238   47.415
LGA    D     5_A      D     5_A     3.584     0    0.104   0.896     9.035   58.214   34.702
LGA    K     6_A      K     6_A     5.991     0    0.233   0.666     7.362   18.690   17.407
LGA    R     7_A      R     7_A     6.890     0    0.095   1.467    13.752   10.952    7.792
LGA    K     8_A      K     8_A     9.139     0    0.113   1.319    12.385    3.452    1.534
LGA    I     9_A      I     9_A     7.053     0    0.235   0.687     8.316    7.262   23.036
LGA    K    10_A      K    10_A     8.888     0    0.121   0.792    20.116    6.548    2.910
LGA    I    11_A      I    11_A     3.437     0    0.138   0.755     5.167   40.833   47.560
LGA    I    12_A      I    12_A     2.690     0    0.161   1.001     7.188   63.690   42.976
LGA    L    13_A      L    13_A     3.687     0    0.251   0.878    10.411   47.738   26.429
LGA    N    14_A      N    14_A     3.762     0    0.219   0.871     7.520   54.167   33.571
LGA    G    15_A      G    15_A     2.557     0    0.217   0.217     5.453   52.738   52.738
LGA    E    16_A      E    16_A     6.421     0    0.227   0.916     9.488   15.119   11.746
LGA    M    17_A      M    17_A    10.029     0    0.114   0.999    13.826    2.143    1.071
LGA    E    18_A      E    18_A     6.673     0    0.269   1.027     8.703    7.024   35.291
LGA    E    19_A      E    19_A     8.007     0    0.087   1.006    16.136   13.690    6.085
LGA    A    20_A      A    20_A     2.321     0    0.153   0.224     4.470   49.048   55.524
LGA    E    21_A      E    21_A     2.478     0    0.054   0.599     6.237   66.786   47.249
LGA    L    22_A      L    22_A     3.738     0    0.075   0.402     4.702   39.048   40.476
LGA    H    23_A      H    23_A     6.546     0    0.133   1.362     8.731   14.167    9.952
LGA    M    24_A      M    24_A     7.874     0    0.103   0.361     9.587    4.762   24.226
LGA    I    25_A      I    25_A    12.118     0    0.258   1.240    14.939    0.000    0.000
LGA    T    26_A      T    26_A    14.795     0    0.181   1.340    16.636    0.000    0.000
LGA    S    27_A      S    27_A    16.343     0    0.170   0.235    17.817    0.000    0.000
LGA    P    28_A      P    28_A    19.620     0    0.661   0.529    23.073    0.000    0.000
LGA    N    29_A      N    29_A    25.711     0    0.105   0.997    30.928    0.000    0.000
LGA    R    30_A      R    30_A    24.222     0    0.217   1.250    30.965    0.000    0.000
LGA    H    31_A      H    31_A    24.750     0    0.186   1.095    30.397    0.000    0.000
LGA    C    32_A      C    32_A    19.186     0    0.053   0.231    21.377    0.000    0.000
LGA    C    33_A      C    33_A    18.812     0    0.022   0.672    21.977    0.000    0.000
LGA    L    34_A      L    34_A    14.829     0    0.024   0.903    16.272    0.000    0.357
LGA    K    35_A      K    35_A    13.589     0    0.159   0.939    15.683    0.000    0.000
LGA    I    36_A      I    36_A    10.511     0    0.056   0.947    11.671    0.714    0.357
LGA    F    37_A      F    37_A     6.624     0    0.125   1.232    11.168   12.143    7.706
LGA    H    38_A      H    38_A     4.654     0    0.140   1.213     9.330   37.738   21.238
LGA    N    39_A      N    39_A     0.646     0    0.225   1.108     4.816   69.405   58.631
LGA    N    40_A      N    40_A     7.592     0    0.305   1.032    10.612    9.048    5.476
LGA    N    41_A      N    41_A     9.667     0    0.474   0.937    11.303    1.310    1.429
LGA    Q    42_A      Q    42_A    15.166     0    0.149   0.305    23.664    0.000    0.000
LGA    L    43_A      L    43_A    17.362     0    0.646   0.794    19.353    0.000    0.000
LGA    A    44_A      A    44_A    20.112     0    0.160   0.201    20.975    0.000    0.000
LGA    E    45_A      E    45_A    22.429     0    0.074   0.284    26.043    0.000    0.000
LGA    S    46_A      S    46_A    23.792     0    0.075   0.096    25.018    0.000    0.000
LGA    N    47_A      N    47_A    27.008     0    0.078   1.011    30.260    0.000    0.000
LGA    D    48_A      D    48_A    25.775     0    0.251   0.386    26.333    0.000    0.000
LGA    T    49_A      T    49_A    24.480     0    0.060   1.156    26.616    0.000    0.000
LGA    D    50_A      D    50_A    17.326     0    0.300   1.571    20.155    0.000    0.000
LGA    Y    51_A      Y    51_A    12.080     0    0.292   1.308    13.462    0.000    2.619
LGA    F    52_A      F    52_A    14.087     0    0.217   1.569    17.695    0.000    0.000
LGA    S    53_A      S    53_A    20.367     0    0.078   0.569    23.834    0.000    0.000
LGA    C    54_A      C    54_A    17.062     0    0.328   0.778    18.268    0.000    0.000
LGA    F    55_A      F    55_A    13.243     0    0.234   1.176    16.263    0.000    7.489
LGA    A    56_A      A    56_A    18.983     0    0.181   0.177    22.105    0.000    0.000
LGA    D    57_A      D    57_A    22.645     0    0.334   1.302    27.484    0.000    0.000
LGA    L    58_A      L    58_A    16.667     0    0.267   1.067    18.784    0.000    0.000
LGA    R    59_A      R    59_A    16.643     0    0.201   1.676    20.404    0.000    0.000
LGA    N    60_A      N    60_A    23.968     0    0.232   1.353    28.998    0.000    0.000
LGA    Q    61_A      Q    61_A    23.345     0    0.326   0.489    27.388    0.000    0.000
LGA    L    62_A      L    62_A    17.847     0    0.095   0.835    19.950    0.000    0.000
LGA    K    63_A      K    63_A    19.668     0    0.715   1.107    26.761    0.000    0.000
LGA    N    64_A      N    64_A    14.264     0    0.173   0.463    17.151    0.119    0.060
LGA    I    65_A      I    65_A     9.222     0    0.187   0.856    11.565    3.333    2.976
LGA    I    66_A      I    66_A     4.690     0    0.127   1.456     6.101   35.476   39.464
LGA    F    67_A      F    67_A     3.282     0    0.084   1.440     8.926   39.643   23.247
LGA    L    68_A      L    68_A     5.641     0    0.434   1.164     9.298   29.762   17.917
LGA    C    69_A      C    69_A     3.956     0    0.090   0.741     5.606   31.905   38.254
LGA    K    70_A      K    70_A     6.143     0    0.618   1.278    14.967   30.952   14.074
LGA    G    71_A      G    71_A     2.879     0    0.146   0.146     5.328   49.524   49.524
LGA    A    72_A      A    72_A     3.537     0    0.598   0.547     4.891   61.667   55.619
LGA    K    73_A      K    73_A     3.208     0    0.392   0.664     7.857   46.667   35.767
LGA    I    74_A      I    74_A     5.045     0    0.536   1.271    10.414   27.024   21.012
LGA    N    75_A      N    75_A     2.561     0    0.299   0.636     3.548   57.262   55.536
LGA    V    76_A      V    76_A     3.194     0    0.224   0.915     6.899   33.690   50.544
LGA    Y    77_A      Y    77_A     8.567     0    0.316   1.401    21.566    4.881    1.627
LGA    P    78_A      P    78_A     9.073     0    0.171   0.261     9.951    1.310    1.973
LGA    S    79_A      S    79_A    11.754     0    0.161   0.674    12.932    0.000    0.000
LGA    A    80_A      A    80_A    15.861     0    0.444   0.425    18.455    0.000    0.000
LGA    M    81_A      M    81_A    11.766     0    0.126   1.074    12.890    0.238    0.536
LGA    S    82_A      S    82_A     7.449     0    0.262   0.232     9.826    3.452    4.762
LGA    R    83_A      R    83_A    13.549     0    0.230   1.623    18.467    0.000    0.000
LGA    D    84_A      D    84_A    11.765     0    0.543   1.325    15.883    0.238    0.119
LGA    M    85_A      M    85_A     6.509     0    0.068   0.994     7.813   23.690   22.083
LGA    S    86_A      S    86_A     2.466     0    0.316   0.276     6.215   42.857   37.619
LGA    D    87_A      D    87_A     6.496     0    0.344   1.125    10.010   20.714   12.560
LGA    G    88_A      G    88_A     5.469     0    0.639   0.639     5.716   28.095   28.095
LGA    I    89_A      I    89_A     2.316     0    0.649   1.388     6.816   66.786   49.762
LGA    V    90_A      V    90_A     1.830     0    0.178   0.471     4.947   72.976   63.605
LGA    A    91_A      A    91_A     0.707     0    0.171   0.236     1.360   90.476   88.667
LGA    Y    92_A      Y    92_A     0.299     0    0.149   0.839     8.453   86.548   51.270
LGA    E    93_A      E    93_A     3.153     0    0.053   0.969    11.829   55.714   27.937
LGA    T    94_A      T    94_A     1.024     0    0.075   0.082     5.288   78.095   58.299
LGA    T    95_A      T    95_A     1.939     0    0.223   1.120     6.512   83.929   58.844
LGA    L    96_A      L    96_A     1.102     0    0.044   0.834     2.497   79.405   80.595
LGA    G    97_A      G    97_A     3.004     0    0.290   0.290     3.666   55.714   55.714
LGA    Q    98_A      Q    98_A     1.311     0    0.109   0.831    10.003   70.476   38.519
LGA    P    99_A      P    99_A     0.700     0    0.161   0.239     1.452   92.976   88.027
LGA    G   100_A      G   100_A     1.537     0    0.235   0.235     2.996   73.333   73.333
LGA    L   101_A      L   101_A     1.782     0    0.165   0.718     2.402   79.286   77.321
LGA    P   102_A      P   102_A     2.386     0    0.047   0.087     6.940   44.286   52.109
LGA    E   103_A      E   103_A     9.283     0    0.285   0.885    13.393    3.810    1.693
LGA    N   104_A      N   104_A     8.767     0    0.184   0.475    10.600    3.929    2.381
LGA    Q   105_A      Q   105_A     6.310     0    0.087   0.728     8.230   11.310   30.529
LGA    V   106_A      V   106_A     8.544     0    0.127   0.759     8.666    6.190    5.306
LGA    H   107_A      H   107_A     8.498     0    0.318   1.455    15.105    3.690    1.476
LGA    I   108_A      I   108_A     4.301     0    0.163   1.176     5.553   26.548   43.333
LGA    F   109_A      F   109_A     7.484     0    0.550   1.439    11.053    6.905    9.740
LGA    D   110_A      D   110_A    13.295     0    0.551   1.134    18.067    0.000    0.000
LGA    F   111_A      F   111_A    14.951     0    0.309   1.228    20.279    0.000    0.000
LGA    E   112_A      E   112_A    11.807     0    0.094   1.041    12.845    0.000    0.053
LGA    D   113_A      D   113_A    12.358     0    0.676   1.061    15.384    0.000    0.000
LGA    K   114_A      K   114_A    12.516     0    0.578   0.804    16.434    0.000    0.000
LGA    Y   115_A      Y   115_A     6.549     0    0.277   1.053    13.923   24.881   10.397
LGA    V   116_A      V   116_A     3.663     0    0.581   1.151     6.880   51.190   36.667
LGA    D   117_A      D   117_A     3.042     0    0.516   1.200     7.144   43.690   30.179
LGA    I   118_A      I   118_A     9.075     0    0.274   0.580    10.828    4.643    2.976
LGA    T   119_A      T   119_A    15.581     0    0.195   0.466    18.501    0.000    0.000
LGA    P   120_A      P   120_A    19.438     0    0.163   0.183    21.920    0.000    0.000
LGA    E   121_A      E   121_A    24.487     0    0.214   1.406    31.719    0.000    0.000
LGA    E   122_A      E   122_A    19.217     0    0.213   0.330    21.068    0.000    0.000
LGA    Q   123_A      Q   123_A    16.054     0    0.304   0.651    17.124    0.000    0.159
LGA    R   124_A      R   124_A    20.395     0    0.157   1.173    29.147    0.000    0.000
LGA    K   125_A      K   125_A    23.748     0    0.106   0.791    32.966    0.000    0.000
LGA    F   126_A      F   126_A    19.031     0    0.157   1.444    20.341    0.000    0.130
LGA    H   127_A      H   127_A    16.479     0    0.088   0.507    18.098    0.000    0.000
LGA    S   128_A      S   128_A    21.440     0    0.048   0.584    24.748    0.000    0.000
LGA    Q   129_A      Q   129_A    23.243     0    0.051   0.576    29.723    0.000    0.000
LGA    W   130_A      W   130_A    18.719     0    0.088   0.692    20.087    0.000    0.000
LGA    F   131_A      F   131_A    17.987     0    0.199   1.018    19.413    0.000    0.000
LGA    E   132_A      E   132_A    22.763     0    0.161   0.920    29.572    0.000    0.000
LGA    S   133_A      S   133_A    17.698     0    0.453   0.894    19.442    0.000    0.000
LGA    L   134_A      L   134_A    14.213     0    0.336   1.086    15.808    0.000    0.357

# 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):    10.781         10.736                 11.723           19.681   17.078

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     36    2.68    25.758    21.838     1.293

LGA_LOCAL      RMSD:   2.683  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.247  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  10.781  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.944047 * X  +   0.022464 * Y  +  -0.329045 * Z  + -14.337486
  Y_new =   0.127509 * X  +   0.895241 * Y  +   0.426948 * Z  +  14.814774
  Z_new =   0.304166 * X  +  -0.445015 * Y  +   0.842285 * Z  +  -7.194117 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.134254 -0.309062 -0.486064   [DEG:    7.6922  -17.7080  -27.8494 ]
ZXZ: -2.484980  0.569287  2.542030   [DEG: -142.3789   32.6178  145.6476 ]
 
# END of job
