
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -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      13_A - 77_A        4.84    15.81
  LONGEST_CONTINUOUS_SEGMENT:    65      14_A - 78_A        4.83    15.86
  LONGEST_CONTINUOUS_SEGMENT:    65      15_A - 79_A        4.95    15.84
  LCS_AVERAGE:     37.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      19_A - 67_A        1.95    16.71
  LONGEST_CONTINUOUS_SEGMENT:    49      20_A - 68_A        1.88    16.74
  LCS_AVERAGE:     20.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      25_A - 63_A        0.93    16.57
  LONGEST_CONTINUOUS_SEGMENT:    39      26_A - 64_A        0.92    16.57
  LONGEST_CONTINUOUS_SEGMENT:    39      27_A - 65_A        0.99    16.57
  LCS_AVERAGE:     13.73

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     M     1_F     M     1_A      6    8   14      3    4    6    8    8    8   10   11   12   13   16   27   48   59   65   67   69   72   74   77 
LCS_GDT     F     2_F     F     2_A      6    8   29      3    4    6    8    8    8   10   11   12   51   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     T     3_F     T     3_A      6    8   29      3    5    6    8    8    8   10   11   12   16   20   26   43   61   64   67   69   72   74   77 
LCS_GDT     G     4_F     G     4_A      6    8   29      4    5    6    8   12   16   19   22   26   34   49   55   59   63   64   67   69   72   74   77 
LCS_GDT     W     5_F     W     5_A      6    8   29      4    5    8   11   13   16   20   23   25   26   33   37   43   58   64   67   69   70   73   77 
LCS_GDT     S     6_F     S     6_A      6    8   29      4    5    6   10   13   17   21   27   43   50   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     P     7_F     P     7_A      6    9   29      4    5    6    8    8   13   15   23   28   34   45   53   61   63   65   67   69   72   74   77 
LCS_GDT     F     8_F     F     8_A      5    9   29      3    4    6   10   13   17   21   29   43   50   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     K     9_F     K     9_A      5    9   29      3    4    6    7    8   13   20   23   25   29   34   40   43   51   59   67   68   70   74   77 
LCS_GDT     Y    10_F     Y    10_A      5    9   29      3    4    6    7   12   14   15   17   20   25   30   37   41   50   55   60   64   72   74   77 
LCS_GDT     S    11_F     S    11_A      5    9   59      3    4    6    7    8    9   12   17   20   24   28   37   40   44   52   60   63   67   71   73 
LCS_GDT     K    12_F     K    12_A      5    9   64      3    4    6    7    8   10   15   17   20   22   26   28   36   44   50   56   60   66   69   72 
LCS_GDT     G    13_F     G    13_A      5   10   65      3    4    6    8   12   14   15   17   20   25   30   37   42   50   55   60   63   68   72   77 
LCS_GDT     N    14_F     N    14_A      6   10   65      3    4    6    8   10   13   15   22   27   32   36   49   52   56   60   63   68   72   74   77 
LCS_GDT     T    15_F     T    15_A      6   10   65      3    5    6    8   11   14   15   22   27   43   45   49   53   56   60   64   68   72   74   77 
LCS_GDT     V    16_F     V    16_A      6   10   65      3    5    6    8   12   14   15   22   27   43   45   50   54   59   62   65   68   72   74   77 
LCS_GDT     T    17_F     T    17_A      6   10   65      3    5    6    8   12   14   15   27   40   45   50   55   58   61   64   66   68   72   74   77 
LCS_GDT     F    18_F     F    18_A      6   10   65      3    5    6    8   23   23   34   41   48   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     K    19_F     K    19_A      6   49   65      3    5    6    8   23   23   37   44   48   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     T    20_F     T    20_A      6   49   65      3    5    6   34   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     P    21_F     P    21_A      6   49   65      3   19   31   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     D    22_F     D    22_A      6   49   65      3    4    6    8   19   42   47   48   50   51   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     E    23_F     E    23_A      5   49   65      3    4    6    8   14   27   44   47   49   50   53   57   60   63   64   67   69   72   74   77 
LCS_GDT     S    24_F     S    24_A      4   49   65      3    4    5   11   40   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     S    25_F     S    25_A     39   49   65      4    7   19   38   38   43   45   47   49   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     I    26_F     I    26_A     39   49   65      4   16   31   39   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     A    27_F     A    27_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     Y    28_F     Y    28_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     M    29_F     M    29_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     R    30_F     R    30_A     39   49   65      6   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     F    31_F     F    31_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     R    32_F     R    32_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     N    33_F     N    33_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     C    34_F     C    34_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     V    35_F     V    35_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     F    36_F     F    36_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     T    37_F     T    37_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     F    38_F     F    38_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     T    39_F     T    39_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     D    40_F     D    40_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     P    41_F     P    41_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     K    42_F     K    42_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     G    43_F     G    43_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     S    44_F     S    44_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     L    45_F     L    45_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     H    46_F     H    46_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     S    47_F     S    47_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     I    48_F     I    48_A     39   49   65     12   31   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     D    49_F     D    49_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     V    50_F     V    50_A     39   49   65     21   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     T    51_F     T    51_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     E    52_F     E    52_A     39   49   65     17   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     V    53_F     V    53_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     L    54_F     L    54_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     N    55_F     N    55_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     N    56_F     N    56_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     M    57_F     M    57_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     A    58_F     A    58_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     K    59_F     K    59_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     G    60_F     G    60_A     39   49   65     23   33   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     F    61_F     F    61_A     39   49   65      5   32   36   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     R    62_F     R    62_A     39   49   65      4   30   36   39   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     D    63_F     D    63_A     39   49   65      5    7   16   39   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     A    64_F     A    64_A     39   49   65      5    7   34   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     Q    65_F     Q    65_A     39   49   65      5   10   31   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     N    66_F     N    66_A      9   49   65      5    7   31   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     P    67_F     P    67_A      9   49   65      5   12   31   40   44   45   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     P    68_F     P    68_A      9   49   65      3    7   10   21   35   43   47   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     S    69_F     S    69_A      9   47   65      3    7   10   13   13   17   32   42   50   50   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     S    70_F     S    70_A      9   40   65      3    7   10   13   13   14   17   22   36   48   53   57   61   63   65   67   69   72   74   77 
LCS_GDT     F    71_F     F    71_A      9   15   65      3    7   10   13   13   18   39   48   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     T    72_F     T    72_A      6   15   65      3    4   10   13   13   17   21   46   50   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     L    73_F     L    73_A      5   15   65      3    4    9   13   13   17   26   46   49   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     G    74_F     G    74_A      5   15   65      3    4    5   10   13   15   20   37   48   52   54   58   61   63   65   67   69   72   74   77 
LCS_GDT     G    75_F     G    75_A      3   15   65      3    4    4    7   27   31   38   39   43   48   52   55   58   61   64   65   68   72   74   77 
LCS_GDT     H    76_F     H    76_A      6    7   65      3    4    6    6    8    9   11   17   19   24   33   38   43   48   55   60   63   68   72   77 
LCS_GDT     C    77_F     C    77_A      6    8   65      3    5    6    7    8   11   12   17   19   23   29   38   41   48   55   60   63   68   72   77 
LCS_GDT     Q    78_F     Q    78_A      6    8   65      3    5    6    7    8   10   11   15   20   22   28   37   41   45   51   60   63   68   72   77 
LCS_GDT     A    79_F     A    79_A      6    8   65      3    5    6    8   10   11   11   13   20   25   29   37   41   45   52   60   63   68   72   77 
LCS_GDT     P    80_F     P    80_A      6    8   63      3    5    6    8   10   12   15   19   20   25   29   34   39   45   51   56   63   68   71   77 
LCS_GDT     L    81_F     L    81_A      6    8   17      3    5    6    9   11   13   16   19   20   25   29   37   41   45   55   60   63   68   72   77 
LCS_GDT     N    82_F     N    82_A      5    8   17      3    4    5    9   11   15   16   19   20   25   29   34   39   44   51   60   63   66   68   72 
LCS_GDT     A    83_F     A    83_A      4    8   17      3    4    4    4    8   11   14   17   19   22   29   35   41   45   55   60   63   67   73   77 
LCS_GDT     F    84_F     F    84_A      4    8   17      3    4    5    7    8   11   11   13   16   19   23   27   39   44   50   56   63   66   68   71 
LCS_GDT     S    85_F     S    85_A      8    9   17      5    8    9   10   11   15   16   19   19   19   21   34   39   44   48   54   60   63   67   70 
LCS_GDT     F    86_F     F    86_A      8    9   17      3    8    9   10   11   15   16   19   19   19   24   27   39   44   49   55   60   63   67   70 
LCS_GDT     V    87_F     V    87_A      8    9   17      5    8    9   10   11   15   16   19   19   19   21   24   29   33   36   39   48   57   60   65 
LCS_GDT     L    88_F     L    88_A      8    9   17      5    8    9   10   11   15   16   19   19   19   21   24   28   32   36   39   43   47   53   59 
LCS_GDT     P    89_F     P    89_A      8    9   17      5    8    9   10   11   15   16   19   19   19   21   23   24   28   33   37   43   45   50   56 
LCS_GDT     G    90_F     G    90_A      8    9   17      5    8    9   10   11   15   16   19   19   19   21   23   24   27   30   35   38   42   48   52 
LCS_GDT     V    91_F     V    91_A      8    9   17      5    8    9   10   11   15   16   19   19   19   21   23   24   28   33   37   43   45   50   54 
LCS_GDT     N    92_F     N    92_A      8    9   17      3    3    5    8   11   15   16   19   19   19   21   23   24   27   33   37   43   44   50   54 
LCS_GDT     D    93_F     D    93_A      3    9   24      3    3    3    6    9   14   15   19   19   19   21   23   26   30   36   39   43   46   52   56 
LCS_GDT     R    94_F     R    94_A      3    5   25      3    3    3    5    8    9   10   14   15   18   19   23   24   26   32   37   43   45   52   56 
LCS_GDT     A    95_F     A    95_A      3    5   25      1    3    3    4    7   11   14   17   20   22   23   25   28   32   36   39   43   45   52   56 
LCS_GDT     T    96_F     T    96_A      3    7   25      0    3    4    5    6   10   12   14   19   22   23   25   29   32   39   47   53   57   59   65 
LCS_GDT     V    97_F     V    97_A      3   14   25      1    3    4    4    6    8   11   14   19   22   24   27   36   38   48   50   59   62   65   67 
LCS_GDT     A    98_F     A    98_A     11   15   25      6    9   11   12   13   14   17   17   20   22   23   25   29   32   36   47   52   57   59   65 
LCS_GDT     T    99_F     T    99_A     11   15   25      6    9   11   12   13   14   17   17   20   22   23   25   28   34   39   49   53   57   62   65 
LCS_GDT     A   100_F     A   100_A     11   15   25      6    9   11   12   13   14   17   17   20   22   25   28   39   44   49   56   60   62   66   69 
LCS_GDT     D   101_F     D   101_A     11   15   25      6    9   11   12   13   14   17   17   20   22   23   25   29   34   50   53   60   63   67   70 
LCS_GDT     E   102_F     E   102_A     11   15   25      6    9   11   12   13   14   17   17   20   22   23   25   29   32   43   51   56   63   67   70 
LCS_GDT     A   103_F     A   103_A     11   15   25      6    9   11   12   13   14   17   17   20   22   28   37   41   44   52   60   63   67   71   72 
LCS_GDT     K   104_F     K   104_A     11   15   25      6    9   11   12   13   14   17   17   20   23   30   38   42   50   55   60   63   67   71   76 
LCS_GDT     K   105_F     K   105_A     11   15   25      6    9   11   12   13   14   17   17   20   20   28   33   39   45   52   58   63   67   71   74 
LCS_GDT     W   106_F     W   106_A     11   15   25      6    9   11   12   13   14   17   17   20   28   37   41   46   52   57   64   67   72   74   77 
LCS_GDT     E   107_F     E   107_A     11   15   25      3    8   11   12   15   23   32   40   44   48   53   56   58   62   64   66   68   72   74   77 
LCS_GDT     N   108_F     N   108_A     11   15   25      3    8   11   12   13   13   17   17   34   43   44   49   61   63   64   67   69   72   74   77 
LCS_GDT     C   109_F     C   109_A      9   15   25      3    4    9   12   13   13   15   17   20   20   22   44   50   55   65   67   69   70   73   76 
LCS_GDT     D   110_F     D   110_A      4   15   25      0    4    6   11   13   14   17   17   20   20   23   54   58   63   65   67   69   70   72   74 
LCS_GDT     A   111_F     A   111_A      3   15   25      0    3    3    4    5   14   17   17   20   20   23   27   35   62   65   67   69   70   72   74 
LCS_GDT     T   112_F     T   112_A      3   15   25      1    3    3    6   13   13   17   17   20   20   23   25   26   54   65   67   69   70   72   74 
LCS_GDT     L   113_F     L   113_A      3    3   25      0    3    3    9   13   14   17   17   20   20   39   43   46   49   56   60   65   67   71   73 
LCS_GDT     T   114_F     T   114_A      3    3   25      0    3    3    4    5   13   15   17   20   20   23   25   26   28   30   31   34   37   38   42 
LCS_GDT     G   115_F     G   115_A      3    3   25      0    3    3    4    5   10   14   17   19   20   23   25   26   28   30   31   34   37   38   42 
LCS_GDT     L   116_F     L   116_A      3    3   25      0    3    4    5    5    7    9   10   12   16   18   21   26   28   30   31   34   37   38   42 
LCS_GDT     Q   117_F     Q   117_A      3    3   25      0    3    3    3    5    7    9   10   12   16   21   22   26   28   29   31   32   35   38   42 
LCS_GDT     R   118_F     R   118_A      3    3   25      0    3    3    3    5    7    9   19   19   19   21   22   24   26   30   33   35   37   38   42 
LCS_GDT     I   119_F     I   119_A      3    3   25      3    5    8    9   11   15   16   19   19   19   21   23   24   26   30   33   35   37   41   42 
LCS_GDT     I   120_F     I   120_A      3    3    9      5    6    9   10   11   15   16   19   19   19   21   23   24   26   30   33   35   37   41   42 
LCS_GDT     H   121_F     H   121_A      3    3    9      3    8    9   10   11   15   16   19   19   19   21   23   24   26   30   33   35   37   41   42 
LCS_GDT     H   122_F     H   122_A      3    3    9      0    3    3    4    4    5    6   17   18   19   21   23   24   26   30   33   35   37   41   42 
LCS_GDT     H   123_F     H   123_A      3    3    9      0    3    3    4    4    5    5    6    8   11   12   13   14   23   25   33   35   37   41   42 
LCS_GDT     H   124_F     H   124_A      3    3    9      0    3    3    3    3    3    4    5    5    6   10   10   14   15   30   33   35   37   41   42 
LCS_AVERAGE  LCS_A:  23.99  (  13.73   20.93   37.32 )

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     23     33     36     40     44     45     47     48     50     52     54     58     61     63     65     67     69     72     74     77 
GDT PERCENT_AT  18.55  26.61  29.03  32.26  35.48  36.29  37.90  38.71  40.32  41.94  43.55  46.77  49.19  50.81  52.42  54.03  55.65  58.06  59.68  62.10
GDT RMS_LOCAL    0.33   0.53   0.64   1.14   1.35   1.43   1.67   1.82   2.15   2.45   2.57   3.12   3.50   3.67   4.03   4.14   4.36   5.12   5.32   5.78
GDT RMS_ALL_AT  16.57  16.55  16.54  16.60  16.63  16.65  16.70  16.70  16.69  16.53  16.61  16.46  16.38  16.37  16.63  16.48  16.50  15.75  15.70  15.52

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   102_F      E   102_A
#   possible swapping detected:  E   107_F      E   107_A
#   possible swapping detected:  D   110_F      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     8.511     0    0.085   1.032    16.624    6.190    3.095
LGA    F     2_F      F     2_A     6.500     0    0.170   1.267     8.537    8.810   10.606
LGA    T     3_F      T     3_A    10.358     0    0.359   1.097    13.387    0.357    0.204
LGA    G     4_F      G     4_A     9.836     0    0.251   0.251    10.302    0.357    0.357
LGA    W     5_F      W     5_A    12.081     0    0.106   0.943    19.012    0.357    0.102
LGA    S     6_F      S     6_A     7.808     0    0.060   0.192     9.890    2.738    9.921
LGA    P     7_F      P     7_A     9.375     0    0.609   0.566    10.162    6.071    4.898
LGA    F     8_F      F     8_A     8.066     0    0.211   1.330    12.338    1.905    5.238
LGA    K     9_F      K     9_A    12.667     0    0.138   0.434    22.214    0.000    0.000
LGA    Y    10_F      Y    10_A    14.425     0    0.181   0.890    17.819    0.000    0.000
LGA    S    11_F      S    11_A    16.814     0    0.156   0.252    17.575    0.000    0.000
LGA    K    12_F      K    12_A    20.818     0    0.124   0.526    31.823    0.000    0.000
LGA    G    13_F      G    13_A    18.526     0    0.690   0.690    19.581    0.000    0.000
LGA    N    14_F      N    14_A    14.602     0    0.527   0.419    15.528    0.000    0.000
LGA    T    15_F      T    15_A    13.921     0    0.051   0.420    15.450    0.000    0.000
LGA    V    16_F      V    16_A    12.002     0    0.040   0.082    13.331    0.000    0.000
LGA    T    17_F      T    17_A     9.896     0    0.059   0.161    11.809    2.024    1.224
LGA    F    18_F      F    18_A     6.687     0    0.076   0.600     8.028   10.357   14.632
LGA    K    19_F      K    19_A     5.785     0    0.164   0.767     6.606   26.786   24.603
LGA    T    20_F      T    20_A     2.868     0    0.023   0.202     4.344   60.000   52.041
LGA    P    21_F      P    21_A     1.474     0    0.045   0.155     2.663   75.119   73.129
LGA    D    22_F      D    22_A     4.075     0    0.642   0.794     5.644   38.214   41.012
LGA    E    23_F      E    23_A     4.796     0    0.284   0.400     8.798   29.286   19.841
LGA    S    24_F      S    24_A     3.080     0    0.641   0.613     3.600   52.024   51.349
LGA    S    25_F      S    25_A     4.577     0    0.638   0.800     8.095   42.024   30.476
LGA    I    26_F      I    26_A     2.756     0    0.131   1.239     3.832   59.167   60.298
LGA    A    27_F      A    27_A     1.777     0    0.025   0.048     2.309   72.976   71.333
LGA    Y    28_F      Y    28_A     1.582     0    0.020   0.372     2.680   72.857   71.786
LGA    M    29_F      M    29_A     1.924     0    0.035   0.953     3.233   72.857   68.988
LGA    R    30_F      R    30_A     1.823     0    0.184   1.386     8.254   68.929   50.519
LGA    F    31_F      F    31_A     0.965     0    0.077   0.092     1.227   85.952   87.186
LGA    R    32_F      R    32_A     1.453     0    0.031   0.606     5.015   77.143   58.918
LGA    N    33_F      N    33_A     1.785     0    0.011   0.106     2.955   72.857   65.952
LGA    C    34_F      C    34_A     0.854     0    0.083   0.179     1.081   85.952   87.460
LGA    V    35_F      V    35_A     1.023     0    0.066   0.069     1.890   83.690   79.048
LGA    F    36_F      F    36_A     0.331     0    0.019   1.197     6.457  100.000   66.277
LGA    T    37_F      T    37_A     0.469     0    0.017   0.050     0.802   92.857   91.837
LGA    F    38_F      F    38_A     0.545     0    0.053   0.074     0.642   90.476   92.208
LGA    T    39_F      T    39_A     0.843     0    0.122   0.965     3.323   83.810   78.299
LGA    D    40_F      D    40_A     1.006     0    0.044   0.078     1.258   83.690   87.083
LGA    P    41_F      P    41_A     1.739     0    0.046   0.157     2.377   75.000   72.993
LGA    K    42_F      K    42_A     1.003     0    0.042   0.334     2.462   85.952   80.688
LGA    G    43_F      G    43_A     0.782     0    0.030   0.030     0.818   90.476   90.476
LGA    S    44_F      S    44_A     0.597     0    0.076   0.132     1.055   90.476   88.968
LGA    L    45_F      L    45_A     0.497     0    0.062   1.263     2.766   97.619   86.667
LGA    H    46_F      H    46_A     0.671     0    0.013   0.078     1.226   92.857   89.619
LGA    S    47_F      S    47_A     0.778     0    0.077   0.667     1.366   85.952   84.444
LGA    I    48_F      I    48_A     1.656     0    0.078   1.221     4.502   81.548   67.143
LGA    D    49_F      D    49_A     1.364     0    0.034   0.239     1.636   79.286   79.286
LGA    V    50_F      V    50_A     0.912     0    0.050   0.060     1.334   90.476   89.184
LGA    T    51_F      T    51_A     0.854     0    0.011   0.037     1.546   88.214   84.082
LGA    E    52_F      E    52_A     1.050     0    0.075   1.095     6.806   88.214   60.582
LGA    V    53_F      V    53_A     0.898     0    0.058   0.068     1.441   88.214   85.306
LGA    L    54_F      L    54_A     0.762     0    0.019   0.086     1.015   88.214   89.345
LGA    N    55_F      N    55_A     0.807     0    0.015   0.035     1.123   90.476   89.345
LGA    N    56_F      N    56_A     0.616     0    0.041   0.090     0.977   90.476   90.476
LGA    M    57_F      M    57_A     1.077     0    0.036   0.912     4.173   83.690   78.155
LGA    A    58_F      A    58_A     1.303     0    0.017   0.027     1.532   79.286   79.714
LGA    K    59_F      K    59_A     0.860     0    0.118   0.858     6.249   85.952   66.614
LGA    G    60_F      G    60_A     1.248     0    0.187   0.187     2.175   75.119   75.119
LGA    F    61_F      F    61_A     2.112     0    0.184   0.818     4.694   66.786   56.061
LGA    R    62_F      R    62_A     2.482     0    0.136   1.565     5.036   62.857   56.537
LGA    D    63_F      D    63_A     2.444     0    0.060   0.308     4.112   64.762   54.107
LGA    A    64_F      A    64_A     1.772     0    0.112   0.128     1.877   72.857   72.857
LGA    Q    65_F      Q    65_A     1.809     0    0.129   0.282     4.160   77.143   59.947
LGA    N    66_F      N    66_A     1.619     0    0.092   0.794     4.411   70.833   67.560
LGA    P    67_F      P    67_A     1.525     0    0.081   0.087     2.466   70.952   72.993
LGA    P    68_F      P    68_A     4.023     0    0.184   0.239     4.956   39.286   42.109
LGA    S    69_F      S    69_A     6.260     0    0.032   0.120     7.919   15.952   13.492
LGA    S    70_F      S    70_A     7.349     0    0.405   0.457     8.225   12.500   10.317
LGA    F    71_F      F    71_A     5.084     0    0.331   1.102     7.313   25.238   21.385
LGA    T    72_F      T    72_A     6.067     0    0.172   0.285     6.626   19.286   18.435
LGA    L    73_F      L    73_A     6.341     0    0.323   0.823     7.162   15.238   17.143
LGA    G    74_F      G    74_A     8.316     0    0.383   0.383     9.658    3.452    3.452
LGA    G    75_F      G    75_A    11.277     0    0.253   0.253    13.025    0.119    0.119
LGA    H    76_F      H    76_A    17.028     0    0.548   1.224    22.031    0.000    0.000
LGA    C    77_F      C    77_A    15.948     0    0.565   0.939    16.799    0.000    0.000
LGA    Q    78_F      Q    78_A    16.881     0    0.558   1.194    20.933    0.000    0.000
LGA    A    79_F      A    79_A    16.779     0    0.065   0.067    16.947    0.000    0.000
LGA    P    80_F      P    80_A    16.955     0    0.084   0.339    18.366    0.000    0.000
LGA    L    81_F      L    81_A    16.790     0    0.664   0.725    18.898    0.000    0.000
LGA    N    82_F      N    82_A    19.580     0    0.724   1.075    22.586    0.000    0.000
LGA    A    83_F      A    83_A    16.423     0    0.036   0.035    17.608    0.000    0.000
LGA    F    84_F      F    84_A    19.752     0    0.532   0.498    21.720    0.000    0.000
LGA    S    85_F      S    85_A    19.964     0    0.611   0.706    21.636    0.000    0.000
LGA    F    86_F      F    86_A    20.219     0    0.110   0.169    23.951    0.000    0.000
LGA    V    87_F      V    87_A    25.382     0    0.088   0.107    28.282    0.000    0.000
LGA    L    88_F      L    88_A    28.814     0    0.044   1.393    32.714    0.000    0.000
LGA    P    89_F      P    89_A    33.758     0    0.075   0.099    36.545    0.000    0.000
LGA    G    90_F      G    90_A    40.052     0    0.051   0.051    41.927    0.000    0.000
LGA    V    91_F      V    91_A    37.615     0    0.583   0.643    37.839    0.000    0.000
LGA    N    92_F      N    92_A    36.576     0    0.479   1.339    36.727    0.000    0.000
LGA    D    93_F      D    93_A    34.323     0    0.276   1.168    37.241    0.000    0.000
LGA    R    94_F      R    94_A    37.265     0    0.605   0.708    46.088    0.000    0.000
LGA    A    95_F      A    95_A    36.043     0    0.634   0.598    36.610    0.000    0.000
LGA    T    96_F      T    96_A    34.381     0    0.615   1.086    35.089    0.000    0.000
LGA    V    97_F      V    97_A    31.676     0    0.258   0.309    33.512    0.000    0.000
LGA    A    98_F      A    98_A    33.724     0    0.685   0.625    34.764    0.000    0.000
LGA    T    99_F      T    99_A    35.197     0    0.038   0.043    39.628    0.000    0.000
LGA    A   100_F      A   100_A    31.632     0    0.059   0.056    33.530    0.000    0.000
LGA    D   101_F      D   101_A    31.674     0    0.108   0.603    37.505    0.000    0.000
LGA    E   102_F      E   102_A    29.039     0    0.112   1.279    33.285    0.000    0.000
LGA    A   103_F      A   103_A    23.055     0    0.025   0.034    25.609    0.000    0.000
LGA    K   104_F      K   104_A    21.234     0    0.114   0.995    23.724    0.000    0.000
LGA    K   105_F      K   105_A    20.723     0    0.126   0.237    32.298    0.000    0.000
LGA    W   106_F      W   106_A    15.128     0    0.025   0.971    21.267    0.000    0.000
LGA    E   107_F      E   107_A    10.587     0    0.351   1.062    13.557    5.476    2.434
LGA    N   108_F      N   108_A     8.490     0    0.214   0.344    10.442    1.905    2.619
LGA    C   109_F      C   109_A     9.312     0    0.591   0.918    12.350    3.452    2.540
LGA    D   110_F      D   110_A     8.707     0    0.644   1.202    11.254    1.548    1.012
LGA    A   111_F      A   111_A    10.522     0    0.692   0.621    11.035    0.357    0.286
LGA    T   112_F      T   112_A     9.391     0    0.631   1.315    10.369    0.595    0.612
LGA    L   113_F      L   113_A    10.573     0    0.649   1.088    14.168    0.119    1.131
LGA    T   114_F      T   114_A    17.268     0    0.681   1.242    20.357    0.000    0.000
LGA    G   115_F      G   115_A    17.974     0    0.571   0.571    19.166    0.000    0.000
LGA    L   116_F      L   116_A    18.315     0    0.612   0.989    19.022    0.000    0.000
LGA    Q   117_F      Q   117_A    21.149     0    0.666   1.043    24.755    0.000    0.000
LGA    R   118_F      R   118_A    23.591     0    0.652   1.546    30.222    0.000    0.000
LGA    I   119_F      I   119_A    20.588     0    0.637   0.602    23.501    0.000    0.000
LGA    I   120_F      I   120_A    24.170     0    0.647   0.536    26.352    0.000    0.000
LGA    H   121_F      H   121_A    30.046     0    0.652   1.348    35.967    0.000    0.000
LGA    H   122_F      H   122_A    29.071     0    0.673   1.462    30.182    0.000    0.000
LGA    H   123_F      H   123_A    31.594     0    0.706   1.280    33.124    0.000    0.000
LGA    H   124_F      H   124_A    37.277     0    0.098   0.960    40.513    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):    13.782         13.777                 14.211           31.646   29.559

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     48    1.82    37.903    34.116     2.506

LGA_LOCAL      RMSD:   1.816  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.700  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  13.782  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.909065 * X  +   0.164246 * Y  +   0.382915 * Z  + -54.482037
  Y_new =   0.318354 * X  +  -0.319080 * Y  +   0.892658 * Z  +  12.533455
  Z_new =   0.268796 * X  +   0.933387 * Y  +   0.237776 * Z  +   2.284680 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.804740 -0.272143  1.321356   [DEG:  160.6998  -15.5926   75.7081 ]
ZXZ:  2.736372  1.330721  0.280392   [DEG:  156.7826   76.2447   16.0653 ]
 
# END of job
