
#######################################################
#                                                     #
#                        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:    84       1_A - 84_A        4.68    27.60
  LCS_AVERAGE:     43.57

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      12_A - 79_A        1.98    29.47
  LCS_AVERAGE:     30.05

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      10_A - 45_A        0.89    28.95
  LCS_AVERAGE:     12.71

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      3    5   84      0    3    3    3    4    7    8   10   12   19   26   58   72   76   81   81   83   84   86   86 
LCS_GDT     S     2_A     S     2_A      4    5   84      4    4    4    4    4    5    8   11   21   36   53   63   72   75   78   80   83   84   85   86 
LCS_GDT     R     3_A     R     3_A      4   44   84      4    4    4    4    5    9   46   52   63   68   73   78   80   82   82   84   84   85   86   87 
LCS_GDT     I     4_A     I     4_A     16   45   84      4    4    4   17   29   42   51   58   65   74   74   79   80   82   82   84   84   85   86   87 
LCS_GDT     D     5_A     D     5_A     17   45   84      5   12   18   27   34   46   51   58   65   74   74   79   80   82   82   84   84   85   86   87 
LCS_GDT     E     6_A     E     6_A     17   45   84      5   12   20   30   41   47   51   58   65   74   74   79   80   82   82   84   84   85   86   87 
LCS_GDT     K     7_A     K     7_A     18   46   84      5   15   25   38   43   48   54   63   69   74   74   79   80   82   82   84   84   85   86   87 
LCS_GDT     S     8_A     S     8_A     18   47   84      5   15   28   40   49   54   64   68   69   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S     9_A     S     9_A     31   47   84      5   15   25   38   47   53   64   68   69   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    10_A     K    10_A     36   47   84      6   23   36   40   49   57   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     A    11_A     A    11_A     36   67   84      8   26   37   45   52   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    12_A     K    12_A     36   68   84      8   26   39   46   56   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     V    13_A     V    13_A     36   68   84      8   31   39   50   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     N    14_A     N    14_A     36   68   84     12   32   39   50   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     D    15_A     D    15_A     36   68   84     12   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     F    16_A     F    16_A     36   68   84      7   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     L    17_A     L    17_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     A    18_A     A    18_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    19_A     E    19_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     I    20_A     I    20_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     F    21_A     F    21_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    22_A     K    22_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    23_A     K    23_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     I    24_A     I    24_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     G    25_A     G    25_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S    26_A     S    26_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    27_A     K    27_A     36   68   84     21   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    28_A     E    28_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     N    29_A     N    29_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     T    30_A     T    30_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    31_A     K    31_A     36   68   84     19   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    32_A     E    32_A     36   68   84     22   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     G    33_A     G    33_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     L    34_A     L    34_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     A    35_A     A    35_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    36_A     E    36_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     L    37_A     L    37_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     Y    38_A     Y    38_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    39_A     E    39_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     Y    40_A     Y    40_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    41_A     K    41_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    42_A     K    42_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    43_A     K    43_A     36   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     Y    44_A     Y    44_A     36   68   84     13   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S    45_A     S    45_A     36   68   84      4   29   38   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     D    46_A     D    46_A     34   68   84      3    4    4    7   20   50   55   59   69   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     A    47_A     A    47_A      4   68   84      3    4    4   29   44   59   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     D    48_A     D    48_A     14   68   84      7   22   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     I    49_A     I    49_A     16   68   84     10   23   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    50_A     E    50_A     16   68   84      7   23   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     P    51_A     P    51_A     16   68   84      6   22   36   49   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     F    52_A     F    52_A     16   68   84      8   22   36   51   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     L    53_A     L    53_A     16   68   84     10   23   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    54_A     K    54_A     16   68   84     10   23   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     N    55_A     N    55_A     17   68   84      3   21   36   47   57   61   65   67   71   73   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S    56_A     S    56_A     17   68   84      4   16   35   45   57   61   65   67   71   73   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S    57_A     S    57_A     17   68   84      3   14   32   43   57   61   65   67   71   73   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     Q    58_A     Q    58_A     17   68   84      3    6   31   43   56   61   64   67   71   72   75   77   80   82   82   84   84   85   86   87 
LCS_GDT     F    59_A     F    59_A     19   68   84      3    6   32   43   56   61   65   67   71   73   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     F    60_A     F    60_A     19   68   84      3   20   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     Q    61_A     Q    61_A     19   68   84      9   22   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S    62_A     S    62_A     19   68   84      8   21   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     Y    63_A     Y    63_A     19   68   84      8   22   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     V    64_A     V    64_A     19   68   84     10   28   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    65_A     E    65_A     19   68   84      8   22   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     R    66_A     R    66_A     19   68   84      8   21   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     G    67_A     G    67_A     19   68   84      8   22   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     L    68_A     L    68_A     19   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     R    69_A     R    69_A     19   68   84     21   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     V    70_A     V    70_A     19   68   84     26   32   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     I    71_A     I    71_A     19   68   84     10   24   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    72_A     E    72_A     19   68   84      7   25   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     M    73_A     M    73_A     19   68   84      7   25   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    74_A     E    74_A     19   68   84      9   23   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     R    75_A     R    75_A     19   68   84      6   23   39   52   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     E    76_A     E    76_A     19   68   84      4   23   36   51   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     G    77_A     G    77_A     19   68   84      6   22   35   48   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     K    78_A     K    78_A     19   68   84      4   16   27   45   58   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     G    79_A     G    79_A     13   68   84      3    4    7   41   46   61   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     R    80_A     R    80_A      4   53   84      3    9   15   22   27   42   54   61   69   72   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     I    81_A     I    81_A      4    9   84      3    4    4    7    8   12   20   35   42   52   63   70   74   79   80   82   84   85   86   87 
LCS_GDT     S    82_A     S    82_A      3    9   84      3    3    4    7   13   23   33   44   49   56   61   68   73   77   80   82   84   85   86   87 
LCS_GDT     T    83_A     T    83_A      3    9   84      3    3    3    7    8    9   13   18   34   43   46   55   63   68   73   77   80   83   86   87 
LCS_GDT     S    84_A     S    84_A      4    9   84      3    4    5    7    8   10   13   14   15   17   18   20   24   33   37   64   65   70   77   82 
LCS_GDT     T    85_A     T    85_A      4    9   80      3    4    5    7    8   10   13   14   15   17   18   19   21   23   26   28   30   35   37   40 
LCS_GDT     G    86_A     G    86_A      4    9   20      3    4    5    7    8   10   13   14   15   17   18   19   21   23   26   31   32   35   37   40 
LCS_GDT     I    87_A     I    87_A      5    9   20      3    4    5    7    8   10   13   14   15   17   18   20   23   26   28   31   32   35   37   40 
LCS_GDT     S    88_A     S    88_A      5    9   20      3    4    5    7    8   10   13   14   15   17   18   19   23   26   29   31   32   35   38   41 
LCS_GDT     P    89_A     P    89_A      5    8   20      3    4    5    7    8   10   13   14   15   17   18   19   22   27   29   31   34   39   45   46 
LCS_GDT     Q    90_A     Q    90_A      5    8   20      3    4    5    6    8    8   10   14   15   17   18   19   22   32   33   34   41   42   52   57 
LCS_GDT     M    91_A     M    91_A      5    8   20      3    4    5    6    8    8    9    9   11   11   12   17   22   28   31   37   41   52   60   67 
LCS_GDT     E    92_A     E    92_A      5    8   14      3    4    5    6    8    8    9    9   11   11   11   12   12   14   23   32   36   39   45   52 
LCS_GDT     V    93_A     V    93_A      5    8   18      3    4    5    5    8    8    9    9   11   11   14   16   20   25   29   38   45   51   59   73 
LCS_GDT     T    94_A     T    94_A      5    5   19      3    4    5    5    5    7    8    9   11   12   14   15   16   21   24   28   32   37   42   51 
LCS_GDT     C    95_A     C    95_A      5    8   20      3    4    7    7    8    8    9   11   13   13   14   15   16   19   19   19   21   23   26   51 
LCS_GDT     V    96_A     V    96_A      6    8   20      3    5    7    7    8    8   11   12   13   14   15   17   17   19   29   30   35   41   52   53 
LCS_GDT     P    97_A     P    97_A      6    8   20      4    5    7    7    8    8   11   12   13   14   15   17   17   19   29   30   35   46   52   53 
LCS_GDT     T    98_A     T    98_A      6    8   20      4    5    7    7    8    9   11   12   13   14   15   17   17   22   29   30   35   41   52   53 
LCS_GDT     P    99_A     P    99_A      6    8   20      4    5    7    7    8    9   11   12   13   14   15   17   19   22   29   30   35   75   78   80 
LCS_GDT     T   100_A     T   100_A      6    8   20      4    5    7    7    8    9   11   12   13   14   15   17   19   22   29   69   82   82   85   87 
LCS_GDT     S   101_A     S   101_A      6    8   20      3    5    7    7    8    9   11   12   13   14   15   17   19   22   78   82   83   84   85   87 
LCS_GDT     T   102_A     T   102_A      6    8   20      3    5    6    7   40   49   64   66   69   72   75   79   80   82   82   82   84   85   86   87 
LCS_GDT     V   103_A     V   103_A      3    8   20      3   19   39   46   55   62   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S   104_A     S   104_A      3    8   20      7   32   38   46   52   60   65   68   71   74   75   79   80   82   82   84   84   85   86   87 
LCS_GDT     S   105_A     S   105_A      4    8   20      3    3    4    8    8   10   11   58   68   74   74   78   80   82   82   84   84   85   86   87 
LCS_GDT     I   106_A     I   106_A      4    8   20      3    3    4    6    8   10   31   47   58   67   73   77   78   79   82   84   84   85   86   87 
LCS_GDT     G   107_A     G   107_A      6    9   30      3    6    7    8    8   12   16   21   24   30   30   32   35   79   81   84   84   84   86   86 
LCS_GDT     N   108_A     N   108_A      6    9   32      3    6    7    9   14   16   18   21   23   27   30   68   76   79   81   84   84   84   86   86 
LCS_GDT     T   109_A     T   109_A      6    9   32      3    6    7    8    8   12   19   21   22   24   30   31   33   36   37   38   39   45   54   85 
LCS_GDT     N   110_A     N   110_A      6    9   32      3    6    7    8    8   10   11   12   13   15   18   21   35   36   46   60   61   81   83   85 
LCS_GDT     G   111_A     G   111_A      6    9   32      3    6    7    8    8   10   11   12   13   14   15   20   26   30   33   41   47   52   57   62 
LCS_GDT     E   112_A     E   112_A      6    9   32      3    6    7    8    8   10   11   12   14   18   21   22   25   33   36   37   39   39   40   42 
LCS_GDT     E   113_A     E   113_A      4   18   32      3    4    5    8   11   15   19   23   26   28   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     V   114_A     V   114_A      4   21   32      3    4    7    9   14   16   19   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     G   115_A     G   115_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     P   116_A     P   116_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     S   117_A     S   117_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     V   118_A     V   118_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     Y   119_A     Y   119_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     L   120_A     L   120_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     E   121_A     E   121_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     R   122_A     R   122_A     17   23   32      8   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     L   123_A     L   123_A     17   23   32      8   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     K   124_A     K   124_A     17   23   32      8   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     I   125_A     I   125_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     L   126_A     L   126_A     17   23   32      8   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     R   127_A     R   127_A     17   23   32      8   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     Q   128_A     Q   128_A     17   23   32      8   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     R   129_A     R   129_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     C   130_A     C   130_A     17   23   32      9   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     G   131_A     G   131_A     17   23   32      6   15   17   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     L   132_A     L   132_A      3   23   32      3    3    4   10   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     D   133_A     D   133_A      3   23   32      3    3   16   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     N   134_A     N   134_A      3   23   32      3   11   13   18   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     T   135_A     T   135_A      3   23   32      3    3    4   13   19   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     K   136_A     K   136_A      3   23   32      3    3    4    5   10   17   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     Q   137_A     Q   137_A      4   23   32      3    4    4    4    4    6   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     D   138_A     D   138_A      4    5   32      3    4    4    5    6    7    9   23   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     D   139_A     D   139_A      4    5   32      3    4    4    5    6    7   15   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     R   140_A     R   140_A      4    5   31      3    4    4    5    8   21   23   24   28   30   30   32   35   36   37   38   39   39   40   42 
LCS_GDT     P   141_A     P   141_A      3    4   31      0    2    3    3    3    4    4    5    5   24   25   25   27   29   31   33   36   39   40   41 
LCS_AVERAGE  LCS_A:  28.78  (  12.71   30.05   43.57 )

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     26     32     39     52     58     62     65     68     71     74     75     79     80     82     82     84     84     85     86     87 
GDT PERCENT_AT  18.44  22.70  27.66  36.88  41.13  43.97  46.10  48.23  50.35  52.48  53.19  56.03  56.74  58.16  58.16  59.57  59.57  60.28  60.99  61.70
GDT RMS_LOCAL    0.35   0.49   0.81   1.26   1.46   1.69   1.78   2.07   2.17   2.69   2.52   3.04   3.10   3.29   3.29   3.82   3.71   3.86   4.00   4.26
GDT RMS_ALL_AT  29.80  29.56  29.32  29.84  29.60  29.21  29.51  28.88  29.09  28.56  28.80  28.44  28.61  28.43  28.43  28.07  28.08  27.95  28.04  27.76

# Checking swapping
#   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    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:  Y    40_A      Y    40_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  D   139_A      D   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    11.490     0    0.700   0.634    13.792    0.000    0.000
LGA    S     2_A      S     2_A    13.257     0    0.686   0.699    16.601    0.000    0.000
LGA    R     3_A      R     3_A     9.280     0    0.142   0.985    15.045    5.476    2.121
LGA    I     4_A      I     4_A     8.549     0    0.024   0.139    12.467    4.405    2.202
LGA    D     5_A      D     5_A     8.480     0    0.150   0.656     8.822    6.190    5.298
LGA    E     6_A      E     6_A     7.809     0    0.040   0.732     9.250   10.595    6.138
LGA    K     7_A      K     7_A     6.457     0    0.021   0.212     8.796   20.000   13.122
LGA    S     8_A      S     8_A     4.830     0    0.017   0.672     5.552   31.905   30.873
LGA    S     9_A      S     9_A     4.873     0    0.012   0.725     6.086   36.190   31.349
LGA    K    10_A      K    10_A     3.745     0    0.102   0.986    11.025   46.905   27.725
LGA    A    11_A      A    11_A     2.682     0    0.041   0.051     3.084   59.167   58.762
LGA    K    12_A      K    12_A     1.849     0    0.033   0.065     3.458   70.833   63.333
LGA    V    13_A      V    13_A     1.464     0    0.043   0.699     2.635   79.286   73.129
LGA    N    14_A      N    14_A     1.590     0    0.023   1.006     3.158   77.143   68.155
LGA    D    15_A      D    15_A     1.212     0    0.015   1.018     4.712   83.690   67.619
LGA    F    16_A      F    16_A     0.747     0    0.026   0.090     1.065   88.214   89.654
LGA    L    17_A      L    17_A     1.065     0    0.038   0.165     1.362   83.690   82.560
LGA    A    18_A      A    18_A     1.467     0    0.037   0.043     1.614   79.286   78.000
LGA    E    19_A      E    19_A     1.373     0    0.043   0.163     1.485   81.429   81.429
LGA    I    20_A      I    20_A     1.100     0    0.041   0.074     1.243   81.429   84.821
LGA    F    21_A      F    21_A     1.380     0    0.029   0.085     1.769   77.143   79.091
LGA    K    22_A      K    22_A     1.808     0    0.027   0.121     3.676   72.857   62.646
LGA    K    23_A      K    23_A     1.534     0    0.034   0.617     1.983   77.143   77.619
LGA    I    24_A      I    24_A     0.927     0    0.019   0.059     1.124   85.952   90.595
LGA    G    25_A      G    25_A     1.102     0    0.153   0.153     1.800   79.286   79.286
LGA    S    26_A      S    26_A     1.282     0    0.081   0.667     1.537   81.429   83.095
LGA    K    27_A      K    27_A     1.511     0    0.055   0.892     4.235   77.143   70.952
LGA    E    28_A      E    28_A     1.558     0    0.008   0.288     2.346   77.143   73.915
LGA    N    29_A      N    29_A     1.177     0    0.047   0.866     2.839   83.690   79.524
LGA    T    30_A      T    30_A     1.400     0    0.016   0.238     2.019   81.429   77.823
LGA    K    31_A      K    31_A     1.332     0    0.017   1.071     7.174   81.429   58.360
LGA    E    32_A      E    32_A     0.751     0    0.044   1.069     4.515   90.476   69.894
LGA    G    33_A      G    33_A     0.737     0    0.010   0.010     0.778   90.476   90.476
LGA    L    34_A      L    34_A     0.524     0    0.023   0.096     0.655   95.238   92.857
LGA    A    35_A      A    35_A     0.564     0    0.026   0.041     0.734   92.857   92.381
LGA    E    36_A      E    36_A     0.889     0    0.035   0.188     1.832   90.476   82.593
LGA    L    37_A      L    37_A     0.512     0    0.033   0.120     0.832   95.238   95.238
LGA    Y    38_A      Y    38_A     0.373     0    0.034   0.112     1.075   97.619   92.897
LGA    E    39_A      E    39_A     0.735     0    0.019   0.880     2.973   90.476   81.852
LGA    Y    40_A      Y    40_A     0.667     0    0.055   0.131     0.959   90.476   90.476
LGA    K    41_A      K    41_A     0.297     0    0.048   0.788     2.537  100.000   91.058
LGA    K    42_A      K    42_A     0.494     0    0.040   0.634     1.672   95.238   93.810
LGA    K    43_A      K    43_A     0.709     0    0.058   0.937     3.544   88.214   75.820
LGA    Y    44_A      Y    44_A     1.036     0    0.333   0.423     1.967   81.548   78.611
LGA    S    45_A      S    45_A     1.581     0    0.364   0.542     2.219   75.119   74.444
LGA    D    46_A      D    46_A     4.813     0    0.584   1.183     9.646   42.024   23.036
LGA    A    47_A      A    47_A     3.201     0    0.535   0.567     4.691   59.286   53.714
LGA    D    48_A      D    48_A     2.967     0    0.602   1.137     8.683   66.905   40.417
LGA    I    49_A      I    49_A     2.163     0    0.163   1.178     3.460   62.857   63.214
LGA    E    50_A      E    50_A     2.640     0    0.052   1.202     2.961   59.048   64.233
LGA    P    51_A      P    51_A     3.157     0    0.035   0.062     3.256   51.786   52.041
LGA    F    52_A      F    52_A     3.113     0    0.029   1.506     4.166   50.000   60.433
LGA    L    53_A      L    53_A     2.649     0    0.040   0.748     4.141   55.357   58.869
LGA    K    54_A      K    54_A     3.005     0    0.025   0.719     3.910   48.452   52.698
LGA    N    55_A      N    55_A     4.869     0    0.211   0.257     5.512   31.548   28.929
LGA    S    56_A      S    56_A     4.665     0    0.077   0.581     5.025   30.119   32.460
LGA    S    57_A      S    57_A     5.257     0    0.022   0.731     7.097   28.810   25.238
LGA    Q    58_A      Q    58_A     5.809     0    0.021   0.700     9.219   22.619   13.492
LGA    F    59_A      F    59_A     5.412     0    0.012   1.264     5.570   27.619   32.511
LGA    F    60_A      F    60_A     2.999     0    0.136   0.282     3.865   55.595   69.913
LGA    Q    61_A      Q    61_A     2.764     0    0.104   0.990     6.036   57.143   44.815
LGA    S    62_A      S    62_A     3.402     0    0.094   0.114     4.016   48.333   45.635
LGA    Y    63_A      Y    63_A     2.551     0    0.052   0.197     2.904   60.952   61.627
LGA    V    64_A      V    64_A     1.298     0    0.044   1.039     2.403   77.143   74.218
LGA    E    65_A      E    65_A     2.204     0    0.033   0.948     6.192   66.786   50.688
LGA    R    66_A      R    66_A     2.677     0    0.025   1.145     6.253   62.857   53.333
LGA    G    67_A      G    67_A     1.764     0    0.102   0.102     1.992   77.143   77.143
LGA    L    68_A      L    68_A     0.596     0    0.029   0.073     1.028   92.976   94.107
LGA    R    69_A      R    69_A     0.781     0    0.016   1.347     5.625   90.476   73.420
LGA    V    70_A      V    70_A     1.103     0    0.093   1.127     4.271   83.690   72.789
LGA    I    71_A      I    71_A     1.177     0    0.036   0.655     2.141   81.548   80.536
LGA    E    72_A      E    72_A     1.134     0    0.040   0.285     2.536   81.548   75.926
LGA    M    73_A      M    73_A     1.027     0    0.029   0.869     3.235   83.690   75.655
LGA    E    74_A      E    74_A     1.466     0    0.037   0.254     1.867   77.143   78.571
LGA    R    75_A      R    75_A     1.566     0    0.041   1.149     4.648   72.976   66.710
LGA    E    76_A      E    76_A     2.415     0    0.188   0.765     3.687   60.952   56.508
LGA    G    77_A      G    77_A     2.862     0    0.060   0.060     3.646   51.905   51.905
LGA    K    78_A      K    78_A     3.191     0    0.551   0.883     5.193   44.167   37.302
LGA    G    79_A      G    79_A     3.480     0    0.214   0.214     3.826   46.667   46.667
LGA    R    80_A      R    80_A     7.308     0    0.419   1.224    14.991    9.405    3.810
LGA    I    81_A      I    81_A    12.087     0    0.591   0.883    16.137    0.119    0.060
LGA    S    82_A      S    82_A    13.332     0    0.054   0.171    14.203    0.000    0.000
LGA    T    83_A      T    83_A    16.190     0    0.559   1.074    17.967    0.000    0.000
LGA    S    84_A      S    84_A    22.054     0    0.357   0.669    25.089    0.000    0.000
LGA    T    85_A      T    85_A    27.518     0    0.573   0.599    31.010    0.000    0.000
LGA    G    86_A      G    86_A    32.901     0    0.271   0.271    33.859    0.000    0.000
LGA    I    87_A      I    87_A    34.699     0    0.217   1.246    36.609    0.000    0.000
LGA    S    88_A      S    88_A    36.357     0    0.113   0.565    38.831    0.000    0.000
LGA    P    89_A      P    89_A    35.021     0    0.118   0.412    37.683    0.000    0.000
LGA    Q    90_A      Q    90_A    34.058     0    0.067   1.278    35.312    0.000    0.000
LGA    M    91_A      M    91_A    31.677     0    0.536   0.516    35.450    0.000    0.000
LGA    E    92_A      E    92_A    29.314     0    0.481   0.570    36.075    0.000    0.000
LGA    V    93_A      V    93_A    25.950     0    0.197   1.166    27.895    0.000    0.000
LGA    T    94_A      T    94_A    26.730     0    0.259   1.150    27.126    0.000    0.000
LGA    C    95_A      C    95_A    25.282     0    0.592   0.581    28.579    0.000    0.000
LGA    V    96_A      V    96_A    21.779     0    0.082   1.376    24.058    0.000    0.000
LGA    P    97_A      P    97_A    18.625     0    0.177   0.397    19.910    0.000    0.000
LGA    T    98_A      T    98_A    18.117     0    0.037   0.724    18.921    0.000    0.000
LGA    P    99_A      P    99_A    15.332     0    0.273   0.278    17.972    0.000    0.000
LGA    T   100_A      T   100_A    13.365     0    0.305   1.041    13.672    0.000    0.000
LGA    S   101_A      S   101_A    11.754     0    0.572   0.689    14.577    0.476    0.317
LGA    T   102_A      T   102_A     7.508     0    0.519   0.776     9.734   14.048    8.707
LGA    V   103_A      V   103_A     1.927     0    0.538   0.662     5.611   57.738   46.667
LGA    S   104_A      S   104_A     2.710     0    0.122   0.668     4.622   49.643   54.683
LGA    S   105_A      S   105_A     7.562     0    0.386   0.402    11.459    7.262    5.556
LGA    I   106_A      I   106_A    12.463     0    0.117   0.116    15.646    0.000    0.000
LGA    G   107_A      G   107_A    14.828     0    0.228   0.228    18.185    0.000    0.000
LGA    N   108_A      N   108_A    15.778     0    0.222   0.474    17.703    0.000    0.000
LGA    T   109_A      T   109_A    21.479     0    0.160   0.189    25.180    0.000    0.000
LGA    N   110_A      N   110_A    22.789     0    0.227   0.205    26.000    0.000    0.000
LGA    G   111_A      G   111_A    29.096     0    0.097   0.097    32.222    0.000    0.000
LGA    E   112_A      E   112_A    30.113     0    0.249   1.238    30.118    0.000    0.000
LGA    E   113_A      E   113_A    32.934     0    0.522   1.209    40.373    0.000    0.000
LGA    V   114_A      V   114_A    34.580     0    0.127   1.019    35.720    0.000    0.000
LGA    G   115_A      G   115_A    37.391     0    0.588   0.588    38.256    0.000    0.000
LGA    P   116_A      P   116_A    41.752     0    0.036   0.046    44.558    0.000    0.000
LGA    S   117_A      S   117_A    41.610     0    0.039   0.590    41.688    0.000    0.000
LGA    V   118_A      V   118_A    35.074     0    0.048   0.917    37.158    0.000    0.000
LGA    Y   119_A      Y   119_A    37.057     0    0.013   1.297    39.344    0.000    0.000
LGA    L   120_A      L   120_A    43.541     0    0.016   0.050    48.664    0.000    0.000
LGA    E   121_A      E   121_A    41.093     0    0.043   0.772    41.513    0.000    0.000
LGA    R   122_A      R   122_A    36.141     0    0.015   1.218    38.210    0.000    0.000
LGA    L   123_A      L   123_A    40.746     0    0.016   0.157    44.471    0.000    0.000
LGA    K   124_A      K   124_A    46.704     0    0.046   0.933    55.871    0.000    0.000
LGA    I   125_A      I   125_A    43.267     0    0.004   0.056    44.174    0.000    0.000
LGA    L   126_A      L   126_A    41.217     0    0.056   0.751    44.722    0.000    0.000
LGA    R   127_A      R   127_A    47.954     0    0.043   1.057    57.000    0.000    0.000
LGA    Q   128_A      Q   128_A    52.004     0    0.051   0.901    53.632    0.000    0.000
LGA    R   129_A      R   129_A    48.939     0    0.100   1.090    51.007    0.000    0.000
LGA    C   130_A      C   130_A    50.548     0    0.266   0.252    54.551    0.000    0.000
LGA    G   131_A      G   131_A    57.497     0    0.695   0.695    58.475    0.000    0.000
LGA    L   132_A      L   132_A    59.155     0    0.490   0.567    60.867    0.000    0.000
LGA    D   133_A      D   133_A    61.507     0    0.479   1.187    65.094    0.000    0.000
LGA    N   134_A      N   134_A    67.280     0    0.518   1.284    71.397    0.000    0.000
LGA    T   135_A      T   135_A    72.430     0    0.643   0.647    74.838    0.000    0.000
LGA    K   136_A      K   136_A    77.326     0    0.655   1.177    80.831    0.000    0.000
LGA    Q   137_A      Q   137_A    83.490     0    0.622   0.581    86.159    0.000    0.000
LGA    D   138_A      D   138_A    88.000     0    0.337   0.782    90.776    0.000    0.000
LGA    D   139_A      D   139_A    92.856     0    0.119   0.910    96.884    0.000    0.000
LGA    R   140_A      R   140_A    94.755     0    0.276   1.587    99.929    0.000    0.000
LGA    P   141_A      P   141_A    94.179     0    0.275   0.340    95.958    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):    22.303         22.280                 22.627           37.183   34.824

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     68    2.07    41.844    40.497     3.141

LGA_LOCAL      RMSD:   2.065  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.876  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  22.303  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.269360 * X  +  -0.086650 * Y  +  -0.959133 * Z  +  -3.167247
  Y_new =   0.017022 * X  +  -0.996217 * Y  +   0.085220 * Z  +  -0.662577
  Z_new =  -0.962889 * X  +   0.006628 * Y  +   0.269816 * Z  +   4.450706 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.078482  1.297510  0.024562   [DEG:  176.3840   74.3418    1.4073 ]
ZXZ: -1.659414  1.297594 -1.563913   [DEG:  -95.0774   74.3467  -89.6056 ]
 
# END of job
