
#######################################################
#                                                     #
#                        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  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      59_B - 108_B       4.95    23.35
  LONGEST_CONTINUOUS_SEGMENT:    50      60_B - 109_B       4.87    23.36
  LONGEST_CONTINUOUS_SEGMENT:    50      61_B - 110_B       4.87    23.34
  LCS_AVERAGE:     17.38

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     178_B - 205_B       1.64    29.77
  LONGEST_CONTINUOUS_SEGMENT:    28     179_B - 206_B       1.72    30.16
  LCS_AVERAGE:      7.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26     179_B - 204_B       0.66    29.95
  LCS_AVERAGE:      5.66

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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     P     4_B     P     4_B      4    5   17      0    4    4    6    7    9    9   11   13   15   16   19   20   25   28   33   36   37   41   43 
LCS_GDT     D     5_B     D     5_B      4    5   17      3    4    4    6    7    9    9   11   13   15   16   20   22   27   35   37   42   44   47   51 
LCS_GDT     F     6_B     F     6_B      4    5   17      3    4    4    6    7    9   10   12   13   17   23   25   29   34   35   40   43   48   54   59 
LCS_GDT     T     7_B     T     7_B      4   10   17      3    4    4    6    7    9   10   17   22   26   28   33   40   43   48   54   59   63   67   70 
LCS_GDT     G     8_B     G     8_B      8   10   25      4    8    8    9   13   16   20   26   30   37   41   46   51   56   58   62   64   66   68   70 
LCS_GDT     A     9_B     A     9_B      8   10   25      7    8    8    8   10   10   13   17   23   29   37   42   48   56   58   62   64   66   68   70 
LCS_GDT     R    10_B     R    10_B      8   10   25      7    8    8    8    9   12   16   22   26   37   42   47   51   56   58   62   64   66   68   70 
LCS_GDT     E    11_B     E    11_B      8   10   25      7    8   12   15   17   21   28   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     R    12_B     R    12_B      8   10   25      7    8    8   11   14   18   22   28   33   37   42   46   51   56   58   62   64   66   68   70 
LCS_GDT     F    13_B     F    13_B      8   10   25      7    8    8   10   10   11   13   20   25   37   41   46   51   56   58   62   64   66   68   70 
LCS_GDT     L    14_B     L    14_B      8   10   25      7    8    8   17   17   21   26   33   37   44   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     A    15_B     A    15_B      8   10   25      7    8    8    8    9   12   24   29   34   41   46   49   51   56   58   62   64   66   68   70 
LCS_GDT     G    16_B     G    16_B      4   10   25      3    4    7    8   10   16   21   26   30   37   41   46   51   56   58   62   64   66   68   70 
LCS_GDT     D    17_B     D    17_B      3   10   25      3    3    4    6   10   14   18   24   27   33   37   42   48   51   57   59   62   65   68   70 
LCS_GDT     V    18_B     V    18_B      3   11   25      1    3    4    5    8   12   18   22   26   34   37   43   48   56   58   62   64   66   68   70 
LCS_GDT     T    19_B     T    19_B     10   11   25      4    9    9   10   10   12   18   22   26   34   37   43   48   51   57   61   64   66   68   70 
LCS_GDT     I    20_B     I    20_B     10   11   25      4    9    9   10   10   12   19   24   27   34   41   46   51   56   58   62   64   66   68   70 
LCS_GDT     V    21_B     V    21_B     10   11   25      4    9    9   10   10   12   19   24   27   34   37   43   51   56   58   62   64   66   68   70 
LCS_GDT     L    22_B     L    22_B     10   11   25      5    9    9   10   10   12   16   22   26   30   36   42   43   47   51   57   61   63   66   68 
LCS_GDT     L    23_B     L    23_B     10   11   25      5    9    9   10   10   12   16   22   25   29   32   41   42   47   51   56   59   63   66   68 
LCS_GDT     I    24_B     I    24_B     10   11   25      5    9    9   10   10   12   15   20   25   29   32   36   40   47   50   56   59   62   66   68 
LCS_GDT     A    25_B     A    25_B     10   11   25      5    9    9   10   10   11   14   20   25   29   32   36   42   47   50   54   59   62   64   65 
LCS_GDT     E    26_B     E    26_B     10   11   25      5    9    9   10   10   11   14   18   23   27   31   35   39   46   50   52   57   59   61   65 
LCS_GDT     S    27_B     S    27_B     10   11   25      5    9    9   10   10   11   14   17   20   26   29   33   38   43   46   47   57   58   60   65 
LCS_GDT     H    28_B     H    28_B     10   11   25      3    3    6   10   10   11   13   17   18   20   23   26   27   34   40   45   48   54   56   61 
LCS_GDT     D    29_B     D    29_B      4    5   25      3    4    5    5    9   11   14   19   23   27   32   35   40   47   50   52   57   58   61   65 
LCS_GDT     A    30_B     A    30_B      4    5   25      3    4    5    5    8   10   15   19   20   25   32   35   40   47   50   53   58   58   62   65 
LCS_GDT     P    31_B     P    31_B      4    6   25      3    4    6    6    7   10   12   14   17   21   23   27   31   39   46   53   58   62   64   65 
LCS_GDT     Y    32_B     Y    32_B      4    6   25      3    4    6    6    7   10   13   17   22   24   29   32   36   36   39   43   50   56   63   68 
LCS_GDT     R    33_B     R    33_B      4    6   24      3    4    6    6    7   11   14   16   22   24   29   32   36   36   39   45   50   55   64   68 
LCS_GDT     L    34_B     L    34_B      4    6   20      3    4    6    6    7   10   12   17   22   24   28   31   34   36   37   43   45   48   53   58 
LCS_GDT     A    35_B     A    35_B      3    7   22      3    4    5    7    8    8   10   13   13   20   22   25   28   31   35   38   43   46   49   54 
LCS_GDT     N    36_B     N    36_B      5    7   23      3    3    5    7    8   10   11   13   13   20   22   25   28   31   35   38   43   44   48   54 
LCS_GDT     P    37_B     P    37_B      5    7   24      3    4    5    7    8   10   11   13   16   20   22   25   28   30   32   36   43   44   48   54 
LCS_GDT     E    38_B     E    38_B      5    7   25      3    4    5    7    8   10   11   13   13   20   22   25   28   30   32   33   36   39   41   46 
LCS_GDT     D    39_B     D    39_B      5    7   25      3    4    5    7   10   11   13   15   17   20   22   25   28   30   32   32   35   39   41   45 
LCS_GDT     P    40_B     P    40_B      5   14   25      4    5    5    8   11   13   13   15   17   20   22   25   28   30   32   33   36   39   41   45 
LCS_GDT     E    41_B     E    41_B      4   14   25      4    4    5    7   12   14   14   15   17   18   20   22   23   26   29   32   35   39   39   44 
LCS_GDT     A    42_B     A    42_B     12   14   25      4    4    6   11   12   14   14   15   16   18   19   22   25   30   32   32   35   39   39   41 
LCS_GDT     D    43_B     D    43_B     12   14   25      4   11   11   12   12   14   14   15   17   20   22   25   28   30   32   32   35   39   39   41 
LCS_GDT     L    44_B     L    44_B     12   14   25      8   11   11   12   12   14   14   15   17   20   22   25   28   30   32   33   36   39   41   45 
LCS_GDT     S    45_B     S    45_B     12   14   25      9   11   11   12   12   14   14   15   17   20   22   25   28   30   32   33   37   42   45   48 
LCS_GDT     D    46_B     D    46_B     12   14   25      9   11   11   12   12   14   14   15   17   19   21   24   28   30   34   38   43   44   47   48 
LCS_GDT     E    47_B     E    47_B     12   14   25      9   11   11   12   12   14   14   15   17   19   21   24   28   31   35   38   43   44   48   54 
LCS_GDT     Q    48_B     Q    48_B     12   14   25      9   11   11   12   12   14   14   15   17   20   22   25   28   30   34   38   43   44   48   54 
LCS_GDT     L    49_B     L    49_B     12   14   25      9   11   11   12   12   14   14   15   17   20   22   25   28   30   34   38   43   44   48   54 
LCS_GDT     E    50_B     E    50_B     12   14   25      9   11   11   12   12   14   14   15   17   20   22   25   28   31   35   38   43   46   49   54 
LCS_GDT     R    51_B     R    51_B     12   14   25      9   11   11   12   12   14   14   15   17   20   22   25   29   32   35   38   43   46   51   55 
LCS_GDT     A    52_B     A    52_B     12   14   25      9   11   11   12   12   14   14   15   17   19   22   25   28   30   35   38   43   45   51   55 
LCS_GDT     L    53_B     L    53_B     12   14   25      9   11   11   12   12   14   14   15   17   19   21   25   29   34   37   38   43   46   52   55 
LCS_GDT     A    54_B     A    54_B     11   14   25      3    5    7   12   12   14   14   16   20   23   29   32   36   36   37   40   44   49   58   64 
LCS_GDT     A    55_B     A    55_B      8    9   25      4    8    8    9   10   11   14   17   22   24   29   32   36   36   37   40   49   57   64   68 
LCS_GDT     Y    56_B     Y    56_B      8    9   25      4    8    8    9   10   10   14   17   22   24   29   32   36   36   37   40   44   49   50   54 
LCS_GDT     L    57_B     L    57_B      8    9   25      4    8    8    9   10   12   13   17   22   24   29   32   36   36   39   46   49   54   60   61 
LCS_GDT     T    58_B     T    58_B      8    9   49      5    8    8    9   10   11   13   17   22   24   36   41   41   47   51   62   64   66   68   70 
LCS_GDT     L    59_B     L    59_B      8    9   50      5    8    8    9   10   11   14   17   22   24   29   35   39   47   56   62   64   66   68   70 
LCS_GDT     V    60_B     V    60_B      8    9   50      5    8    8    9   10   10   13   18   22   26   32   35   40   47   50   55   59   66   68   70 
LCS_GDT     E    61_B     E    61_B      8    9   50      5    8    8    9   10   12   16   22   26   30   36   41   42   53   57   62   64   66   68   70 
LCS_GDT     T    62_B     T    62_B      8    9   50      5    8    8    9   10   17   24   29   36   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     L    63_B     L    63_B      4   18   50      3    4    4    4    8   11   17   19   28   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     F    64_B     F    64_B     16   19   50     11   15   17   18   19   25   29   33   36   40   43   45   51   54   58   62   64   66   68   70 
LCS_GDT     P    65_B     P    65_B     16   19   50     12   20   26   27   27   27   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     E    66_B     E    66_B     16   19   50     12   15   17   26   27   28   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     L    67_B     L    67_B     16   19   50     12   15   17   18   27   28   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     Y    68_B     Y    68_B     16   19   50     12   15   17   18   24   28   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    69_B     A    69_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     E    70_B     E    70_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     M    71_B     M    71_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     K    72_B     K    72_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    73_B     A    73_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    74_B     A    74_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     L    75_B     L    75_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    76_B     A    76_B     16   19   50     12   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    77_B     A    77_B     16   19   50     10   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    78_B     A    78_B     16   19   50     10   15   17   18   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     K    79_B     K    79_B     16   19   50      6   10   17   18   24   26   29   32   36   40   43   47   51   54   56   61   64   66   68   70 
LCS_GDT     T    80_B     T    80_B      3   19   50      3    5   10   16   24   26   30   34   37   40   43   47   51   54   57   62   64   66   68   70 
LCS_GDT     P    81_B     P    81_B      3   19   50      3    4    5    8   11   16   21   28   32   38   42   46   50   54   56   58   60   64   66   69 
LCS_GDT     E    82_B     E    82_B      3   19   50      3    6   11   16   24   26   30   34   37   40   43   47   51   54   56   60   63   66   68   70 
LCS_GDT     E    83_B     E    83_B     15   16   50     10   12   15   17   17   21   26   33   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     K    84_B     K    84_B     15   16   50     10   12   15   17   17   21   26   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     I    85_B     I    85_B     15   16   50     10   12   15   17   18   24   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    86_B     A    86_B     15   16   50     10   12   15   17   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     V    87_B     V    87_B     15   16   50     10   12   15   17   20   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     F    88_B     F    88_B     15   16   50     10   12   15   17   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     R    89_B     R    89_B     15   16   50     10   12   15   17   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     E    90_B     E    90_B     15   16   50     10   12   15   17   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     Y    91_B     Y    91_B     15   16   50     10   11   15   17   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     N    92_B     N    92_B     15   16   50     10   12   15   17   24   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    93_B     A    93_B     15   16   50      9   12   15   17   21   26   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     R    94_B     R    94_B     15   16   50      5   12   15   17   18   24   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     F    95_B     F    95_B     15   16   50      5   11   15   17   18   24   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     L    96_B     L    96_B     15   16   50      5   12   15   17   17   24   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A    97_B     A    97_B     15   16   50      5   11   15   17   18   24   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     E    98_B     E    98_B      3   16   50      1    3    8   13   18   24   29   34   37   40   45   47   51   56   58   62   64   66   68   70 
LCS_GDT     F    99_B     F    99_B      9   13   50      5    7   11   20   27   36   40   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     D   100_B     D   100_B      9   13   50      5    7   11   20   27   36   40   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     A   101_B     A   101_B     11   13   50      5    7   11   20   25   36   40   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     L   102_B     L   102_B     11   13   50      5   10   11   20   25   36   40   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     I   103_B     I   103_B     11   13   50      9   10   11   14   18   25   40   42   43   46   46   49   51   56   58   62   64   66   68   70 
LCS_GDT     D   104_B     D   104_B     11   13   50      9   10   11   14   21   33   40   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     Q   105_B     Q   105_B     11   13   50      9   10   11   20   26   36   40   42   43   46   47   49   51   56   58   62   64   66   68   70 
LCS_GDT     A   106_B     A   106_B     11   13   50      9   10   11   20   26   36   40   42   43   46   47   49   51   54   56   60   62   65   68   70 
LCS_GDT     F   107_B     F   107_B     11   13   50      9   10   11   14   25   36   40   42   43   46   47   49   51   54   56   58   61   64   67   70 
LCS_GDT     A   108_B     A   108_B     11   13   50      9   10   11   20   27   36   40   42   43   46   47   49   51   54   55   58   61   64   66   70 
LCS_GDT     R   109_B     R   109_B     11   13   50      9   10   11   20   27   36   40   42   43   46   47   49   50   52   54   58   60   64   66   69 
LCS_GDT     L   110_B     L   110_B     11   13   50      9   10   11   20   26   36   40   42   43   46   47   49   50   52   53   55   59   62   65   69 
LCS_GDT     K   111_B     K   111_B     11   13   49      9   10   11   20   27   36   40   42   43   46   47   49   50   52   53   55   59   62   65   69 
LCS_GDT     A   112_B     A   112_B      4   12   23      4    6    7    7   15   20   24   27   35   41   47   49   50   52   53   58   60   64   66   69 
LCS_GDT     D   113_B     D   113_B      4    8   23      4    4    4    7    9   11   12   13   16   18   22   27   35   42   48   55   59   62   66   69 
LCS_GDT     S   114_B     S   114_B      4    8   23      3    4    4    7    9   11   14   14   20   22   32   34   43   50   53   58   60   64   66   69 
LCS_GDT     L   115_B     L   115_B      4    8   23      3    4    5    7    9   11   14   14   20   26   34   40   46   51   54   58   60   64   66   69 
LCS_GDT     T   116_B     T   116_B      5    8   23      4    5    5    8    9   13   24   27   34   39   42   45   50   54   55   58   60   64   66   69 
LCS_GDT     L   117_B     L   117_B      5    8   23      4    5    5    7   10   16   23   29   33   38   41   46   50   54   55   57   60   62   65   68 
LCS_GDT     K   118_B     K   118_B      5    8   23      4    5    5    7    9   12   20   26   30   33   41   44   48   52   54   56   58   62   65   66 
LCS_GDT     I   119_B     I   119_B      5    8   23      4    5    5    7    9   13   19   24   26   29   37   41   47   50   52   54   56   58   61   62 
LCS_GDT     H   120_B     H   120_B      5    7   23      4    5    5    7    7    8   12   13   15   18   29   36   40   44   48   52   55   55   59   60 
LCS_GDT     L   121_B     L   121_B      5    6   23      4    4    5    6    6    8   10   11   11   14   20   25   29   33   38   40   50   53   55   57 
LCS_GDT     S   122_B     S   122_B      5    6   23      4    4    5    6    6    8   10   11   11   14   20   25   29   33   38   40   44   46   54   57 
LCS_GDT     Q   123_B     Q   123_B      5    6   22      4    4    5    6    6    8   10   11   11   14   16   20   24   31   32   38   44   46   48   51 
LCS_GDT     G   124_B     G   124_B      5    6   21      3    4    5    6    6    8   10   11   11   14   19   25   27   32   38   40   44   46   48   51 
LCS_GDT     K   125_B     K   125_B      3    5   21      3    3    4    4    6    8    8   14   16   20   22   25   29   34   38   40   44   46   48   51 
LCS_GDT     G   126_B     G   126_B      4    5   21      3    3    4    4    5    9   11   14   18   23   27   31   34   35   38   40   44   47   51   55 
LCS_GDT     S   127_B     S   127_B      4    5   22      3    3    4    4    7   11   12   14   18   23   27   31   34   35   38   42   46   49   53   57 
LCS_GDT     Y   128_B     Y   128_B      4    5   24      3    3    4    4    6    8   11   13   16   20   22   27   31   34   38   40   44   47   56   61 
LCS_GDT     E   129_B     E   129_B      4    7   39      3    3    4    5    7   10   11   15   17   20   25   31   34   36   40   45   47   51   56   61 
LCS_GDT     I   130_B     I   130_B      4    7   39      3    3    5    6    7   10   13   14   16   18   23   35   41   44   48   50   55   56   59   63 
LCS_GDT     I   131_B     I   131_B      4    7   39      3    4   12   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     F   132_B     F   132_B      4    7   39      3    4   11   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     P   133_B     P   133_B      4    7   39      3    4    5    6    9   14   18   30   41   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     P   134_B     P   134_B      4    7   39      4    4    5    6    9   11   12   13   16   18   20   21   23   36   39   39   44   54   61   63 
LCS_GDT     E   135_B     E   135_B      4   13   39      4    4    5    7    9   11   14   15   16   18   20   21   23   24   31   37   39   50   55   58 
LCS_GDT     V   136_B     V   136_B     10   16   39      4    4    8   12   13   17   24   28   30   33   38   47   50   52   52   55   57   61   62   63 
LCS_GDT     Q   137_B     Q   137_B     11   16   39      4    6   11   12   15   22   26   28   30   33   38   47   50   52   52   55   57   61   62   63 
LCS_GDT     A   138_B     A   138_B     11   18   39      4    8   11   13   18   22   26   28   30   33   38   45   50   52   52   53   57   61   62   63 
LCS_GDT     D   139_B     D   139_B     11   20   39      7    9   11   15   19   23   26   34   41   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     P   140_B     P   140_B     11   21   39      4    9   11   15   19   23   35   40   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     E   141_B     E   141_B     11   22   39      7    9   12   20   26   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     R   142_B     R   142_B     11   23   39      7    9   12   20   25   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     A   143_B     A   143_B     11   23   39      7    9   12   20   26   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     A   144_B     A   144_B     11   23   39      7    9   12   18   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     A   145_B     A   145_B     11   23   39      7    9   13   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     I   146_B     I   146_B     11   23   39      7    9   13   18   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     E   147_B     E   147_B     11   23   39      4    9   14   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     A   148_B     A   148_B     16   23   39      4   13   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     L   149_B     L   149_B     16   23   39      4    7   13   20   27   35   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     W   150_B     W   150_B     17   23   39      5   14   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   68 
LCS_GDT     K   151_B     K   151_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   56   61   62   63 
LCS_GDT     P   152_B     P   152_B     17   23   39      3   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     T   153_B     T   153_B     17   23   39      4   15   17   19   22   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     L   154_B     L   154_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     D   155_B     D   155_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     Q   156_B     Q   156_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     L   157_B     L   157_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     L   158_B     L   158_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     A   159_B     A   159_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     V   160_B     V   160_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     L   161_B     L   161_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     Q   162_B     Q   162_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     E   163_B     E   163_B     17   23   39     12   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     K   164_B     K   164_B     17   23   39     10   15   17   20   27   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     H   165_B     H   165_B     17   23   39     12   15   17   19   25   36   40   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     K   166_B     K   166_B     17   23   39      3   15   17   18   21   26   39   42   43   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     G   167_B     G   167_B      4   23   39      3    3    4   10   11   20   25   34   42   46   47   49   50   52   53   55   57   61   62   63 
LCS_GDT     K   168_B     K   168_B      4    8   39      3    3    4    5    8    9   13   16   18   22   26   33   39   51   53   55   57   61   62   63 
LCS_GDT     P   169_B     P   169_B      4    8   38      3    3    4    5    8    8    8   10   10   21   26   30   34   38   40   47   57   61   62   63 
LCS_GDT     A   170_B     A   170_B      4    8   34      3    3    4    5    8    8   13   14   17   21   26   30   34   38   41   47   57   61   62   63 
LCS_GDT     T   171_B     T   171_B      4    8   34      3    4    4    6    8   13   16   20   23   24   26   28   30   38   40   41   50   58   61   63 
LCS_GDT     T   172_B     T   172_B      4    8   34      3    4    4    6    8   13   16   19   23   24   25   28   30   31   32   37   39   42   44   47 
LCS_GDT     V   173_B     V   173_B      4    8   33      3    4    4    5    8    8    8   11   14   19   24   28   30   31   32   33   34   35   37   40 
LCS_GDT     T   174_B     T   174_B      4    8   32      4    4    4    5    8    8    9   12   16   24   30   30   31   32   32   33   34   35   37   40 
LCS_GDT     Y   175_B     Y   175_B      4    6   36      4    4    4    4    5    7    8   12   16   18   30   30   31   32   32   35   37   39   41   43 
LCS_GDT     E   176_B     E   176_B      5    6   36      4    4    5    5    5   10   14   17   21   25   30   31   33   36   38   39   40   42   42   44 
LCS_GDT     I   177_B     I   177_B      5    6   36      4    4    5    5    5    7   14   17   18   26   30   31   34   36   38   39   40   42   42   44 
LCS_GDT     S   178_B     S   178_B      5   28   36      3    4    5   11   14   18   28   29   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     A   179_B     A   179_B     26   28   36     14   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     E   180_B     E   180_B     26   28   36     14   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     T   181_B     T   181_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     L   182_B     L   182_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     R   183_B     R   183_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     A   184_B     A   184_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   46 
LCS_GDT     A   185_B     A   185_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   51   56   58 
LCS_GDT     V   186_B     V   186_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   47   57   64   69 
LCS_GDT     A   187_B     A   187_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   41   44   45   52   57   64   69 
LCS_GDT     A   188_B     A   188_B     26   28   36     19   25   26   27   27   28   30   30   31   34   36   43   47   51   54   58   60   64   66   69 
LCS_GDT     L   189_B     L   189_B     26   28   36     19   25   26   27   27   28   30   30   34   39   42   46   51   54   56   58   61   64   66   69 
LCS_GDT     A   190_B     A   190_B     26   28   36     19   25   26   27   27   28   30   33   36   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     R   191_B     R   191_B     26   28   36     16   25   26   27   27   28   30   32   36   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A   192_B     A   192_B     26   28   36     17   25   26   27   27   28   30   34   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     A   193_B     A   193_B     26   28   36     19   25   26   27   27   28   30   31   37   40   43   47   51   56   58   62   64   66   68   70 
LCS_GDT     E   194_B     E   194_B     26   28   36     19   25   26   27   27   28   30   30   31   33   37   43   48   56   58   62   64   66   68   70 
LCS_GDT     A   195_B     A   195_B     26   28   36     19   25   26   27   27   28   30   30   31   34   37   43   48   55   58   62   64   66   68   69 
LCS_GDT     A   196_B     A   196_B     26   28   36     19   25   26   27   27   28   30   30   31   33   36   42   48   51   54   57   59   62   64   65 
LCS_GDT     L   197_B     L   197_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   42   47   50   56   59   62   64   65 
LCS_GDT     R   198_B     R   198_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   40   47   50   54   58   58   64   65 
LCS_GDT     R   199_B     R   199_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   42   46   50   54   58   62   64   65 
LCS_GDT     K   200_B     K   200_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   41   47   53   54   64 
LCS_GDT     V   201_B     V   201_B     26   28   36     19   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   44   51 
LCS_GDT     G   202_B     G   202_B     26   28   36     17   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   44   52 
LCS_GDT     S   203_B     S   203_B     26   28   36      6   25   26   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   44   48 
LCS_GDT     L   204_B     L   204_B     26   28   36      4    4    5   27   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     E   205_B     E   205_B     25   28   36      4    4    5   26   27   28   30   30   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     S   206_B     S   206_B      4   28   36      4    4    4    8   14   19   26   29   31   33   35   36   37   37   38   39   40   42   45   48 
LCS_GDT     S   207_B     S   207_B      4    8   36      3    4    5    6   10   16   24   29   31   33   35   36   37   37   38   39   40   42   42   44 
LCS_GDT     G   208_B     G   208_B      3    8   36      3    4    4    6   10   14   21   29   31   32   35   36   37   37   38   39   40   42   45   48 
LCS_GDT     L   209_B     L   209_B      3    8   36      3    3    5    8    9   16   21   27   31   32   34   35   36   37   38   39   40   42   42   43 
LCS_GDT     E   210_B     E   210_B      3    6   36      3    4    4    6   14   21   27   29   31   32   35   35   37   37   38   39   40   42   45   48 
LCS_AVERAGE  LCS_A:  10.17  (   5.66    7.47   17.38 )

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     19     25     26     27     27     36     40     42     43     46     47     49     51     56     58     62     64     66     68     70 
GDT PERCENT_AT   9.18  12.08  12.56  13.04  13.04  17.39  19.32  20.29  20.77  22.22  22.71  23.67  24.64  27.05  28.02  29.95  30.92  31.88  32.85  33.82
GDT RMS_LOCAL    0.34   0.52   0.60   0.73   0.73   2.09   2.25   2.40   2.48   2.82   3.09   3.20   4.22   4.57   4.69   5.06   5.21   5.39   5.53   5.88
GDT RMS_ALL_AT  29.94  29.93  29.84  29.86  29.86  25.28  25.28  25.29  25.31  25.32  25.23  25.24  23.73  23.80  23.89  23.96  23.91  23.87  23.89  23.68

# Checking swapping
#   possible swapping detected:  D    17_B      D    17_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    29_B      D    29_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  D    46_B      D    46_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  Y    56_B      Y    56_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  F    95_B      F    95_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  D   113_B      D   113_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   176_B      E   176_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    19.138     0    0.696   0.653    19.138    0.000    0.000
LGA    D     5_B      D     5_B    15.740     3    0.141   0.189    16.725    0.000    0.000
LGA    F     6_B      F     6_B    15.378     0    0.319   1.205    22.929    0.000    0.000
LGA    T     7_B      T     7_B    13.020     0    0.220   0.293    16.033    0.000    0.000
LGA    G     8_B      G     8_B     8.553     0    0.556   0.556    10.200    0.833    0.833
LGA    A     9_B      A     9_B    13.306     0    0.062   0.066    15.282    0.000    0.000
LGA    R    10_B      R    10_B     9.819     6    0.047   0.050    10.425    3.095    1.255
LGA    E    11_B      E    11_B     4.457     0    0.036   1.296     6.706   22.262   28.360
LGA    R    12_B      R    12_B    11.451     0    0.052   1.496    20.498    0.357    0.130
LGA    F    13_B      F    13_B    13.094     0    0.039   1.286    20.459    0.000    0.000
LGA    L    14_B      L    14_B     7.221     3    0.057   0.064     8.803   10.833    8.690
LGA    A    15_B      A    15_B     7.073     0    0.223   0.222    10.525    6.905    6.952
LGA    G    16_B      G    16_B    13.961     0    0.722   0.722    15.548    0.000    0.000
LGA    D    17_B      D    17_B    18.109     0    0.481   1.387    22.564    0.000    0.000
LGA    V    18_B      V    18_B    18.892     0    0.638   1.371    21.646    0.000    0.000
LGA    T    19_B      T    19_B    21.729     0    0.553   1.120    23.226    0.000    0.000
LGA    I    20_B      I    20_B    20.295     0    0.029   0.940    22.604    0.000    0.000
LGA    V    21_B      V    21_B    19.600     0    0.068   1.264    23.363    0.000    0.000
LGA    L    22_B      L    22_B    24.930     0    0.047   0.969    28.762    0.000    0.000
LGA    L    23_B      L    23_B    28.899     0    0.063   1.387    31.800    0.000    0.000
LGA    I    24_B      I    24_B    28.784     0    0.047   0.831    32.287    0.000    0.000
LGA    A    25_B      A    25_B    29.921     0    0.078   0.101    34.243    0.000    0.000
LGA    E    26_B      E    26_B    35.238     0    0.043   0.819    39.183    0.000    0.000
LGA    S    27_B      S    27_B    38.142     0    0.672   0.700    39.514    0.000    0.000
LGA    H    28_B      H    28_B    41.981     0    0.746   0.862    45.186    0.000    0.000
LGA    D    29_B      D    29_B    42.857     0    0.572   1.119    46.409    0.000    0.000
LGA    A    30_B      A    30_B    39.078     0    0.153   0.208    40.274    0.000    0.000
LGA    P    31_B      P    31_B    37.009     0    0.567   0.603    37.967    0.000    0.000
LGA    Y    32_B      Y    32_B    33.761     0    0.158   1.324    35.108    0.000    0.000
LGA    R    33_B      R    33_B    37.079     0    0.561   1.176    41.148    0.000    0.000
LGA    L    34_B      L    34_B    42.287     0    0.572   0.627    45.134    0.000    0.000
LGA    A    35_B      A    35_B    43.661     0    0.580   0.580    44.146    0.000    0.000
LGA    N    36_B      N    36_B    46.377     3    0.362   0.412    49.350    0.000    0.000
LGA    P    37_B      P    37_B    42.747     0    0.268   0.458    43.970    0.000    0.000
LGA    E    38_B      E    38_B    47.389     4    0.658   0.631    49.187    0.000    0.000
LGA    D    39_B      D    39_B    49.715     0    0.063   0.551    54.883    0.000    0.000
LGA    P    40_B      P    40_B    45.307     0    0.633   0.734    47.860    0.000    0.000
LGA    E    41_B      E    41_B    46.529     0    0.077   1.504    48.543    0.000    0.000
LGA    A    42_B      A    42_B    48.055     0    0.064   0.062    50.627    0.000    0.000
LGA    D    43_B      D    43_B    51.069     0    0.210   1.122    52.278    0.000    0.000
LGA    L    44_B      L    44_B    48.998     0    0.105   0.200    51.414    0.000    0.000
LGA    S    45_B      S    45_B    53.237     0    0.037   0.109    54.508    0.000    0.000
LGA    D    46_B      D    46_B    52.064     0    0.036   1.197    56.862    0.000    0.000
LGA    E    47_B      E    47_B    49.559     0    0.045   1.019    53.915    0.000    0.000
LGA    Q    48_B      Q    48_B    44.999     0    0.050   1.449    48.182    0.000    0.000
LGA    L    49_B      L    49_B    42.531     0    0.023   1.434    44.182    0.000    0.000
LGA    E    50_B      E    50_B    42.339     4    0.034   0.049    44.577    0.000    0.000
LGA    R    51_B      R    51_B    38.081     0    0.049   1.864    40.034    0.000    0.000
LGA    A    52_B      A    52_B    33.512     0    0.014   0.040    35.675    0.000    0.000
LGA    L    53_B      L    53_B    34.185     0    0.603   1.139    35.520    0.000    0.000
LGA    A    54_B      A    54_B    34.371     0    0.051   0.066    34.371    0.000    0.000
LGA    A    55_B      A    55_B    32.473     0    0.559   0.562    32.994    0.000    0.000
LGA    Y    56_B      Y    56_B    32.268     0    0.043   1.350    34.885    0.000    0.000
LGA    L    57_B      L    57_B    31.218     0    0.050   0.982    35.541    0.000    0.000
LGA    T    58_B      T    58_B    25.426     0    0.107   0.922    27.958    0.000    0.000
LGA    L    59_B      L    59_B    22.338     0    0.037   0.965    24.075    0.000    0.000
LGA    V    60_B      V    60_B    21.450     0    0.038   1.233    23.944    0.000    0.000
LGA    E    61_B      E    61_B    19.872     0    0.050   1.121    25.435    0.000    0.000
LGA    T    62_B      T    62_B    14.036     0    0.537   1.462    16.451    0.000    0.000
LGA    L    63_B      L    63_B    12.283     0    0.546   0.454    13.687    0.000    0.000
LGA    F    64_B      F    64_B    16.298     0    0.484   1.206    19.023    0.000    0.000
LGA    P    65_B      P    65_B    17.005     0    0.047   0.238    17.764    0.000    0.000
LGA    E    66_B      E    66_B    16.576     0    0.036   1.090    17.915    0.000    0.000
LGA    L    67_B      L    67_B    17.709     0    0.042   1.203    19.992    0.000    0.000
LGA    Y    68_B      Y    68_B    19.488     0    0.037   1.526    22.666    0.000    0.000
LGA    A    69_B      A    69_B    19.802     0    0.041   0.062    21.088    0.000    0.000
LGA    E    70_B      E    70_B    20.254     0    0.029   0.894    21.876    0.000    0.000
LGA    M    71_B      M    71_B    22.049     0    0.038   0.733    23.395    0.000    0.000
LGA    K    72_B      K    72_B    23.132     0    0.034   0.636    24.317    0.000    0.000
LGA    A    73_B      A    73_B    23.421     0    0.063   0.087    24.602    0.000    0.000
LGA    A    74_B      A    74_B    24.289     0    0.066   0.065    25.606    0.000    0.000
LGA    L    75_B      L    75_B    25.575     0    0.037   0.377    26.708    0.000    0.000
LGA    A    76_B      A    76_B    26.647     0    0.024   0.050    27.759    0.000    0.000
LGA    A    77_B      A    77_B    26.815     0    0.031   0.051    27.835    0.000    0.000
LGA    A    78_B      A    78_B    27.504     0    0.050   0.074    28.332    0.000    0.000
LGA    K    79_B      K    79_B    28.618     0    0.623   1.506    29.510    0.000    0.000
LGA    T    80_B      T    80_B    31.722     0    0.668   0.790    34.442    0.000    0.000
LGA    P    81_B      P    81_B    27.731     0    0.089   0.140    28.721    0.000    0.000
LGA    E    82_B      E    82_B    28.684     4    0.593   0.583    30.650    0.000    0.000
LGA    E    83_B      E    83_B    33.167     4    0.620   0.601    34.652    0.000    0.000
LGA    K    84_B      K    84_B    31.437     0    0.037   1.064    37.366    0.000    0.000
LGA    I    85_B      I    85_B    29.422     0    0.048   1.123    30.616    0.000    0.000
LGA    A    86_B      A    86_B    27.991     0    0.032   0.041    28.864    0.000    0.000
LGA    V    87_B      V    87_B    27.276     0    0.040   0.807    28.870    0.000    0.000
LGA    F    88_B      F    88_B    25.619     0    0.028   1.451    26.518    0.000    0.000
LGA    R    89_B      R    89_B    23.622     0    0.037   1.215    31.839    0.000    0.000
LGA    E    90_B      E    90_B    22.762     0    0.029   0.106    25.800    0.000    0.000
LGA    Y    91_B      Y    91_B    21.485     0    0.121   1.494    28.428    0.000    0.000
LGA    N    92_B      N    92_B    19.724     0    0.037   0.228    21.178    0.000    0.000
LGA    A    93_B      A    93_B    17.402     0    0.048   0.048    18.627    0.000    0.000
LGA    R    94_B      R    94_B    15.850     0    0.019   0.812    21.269    0.000    0.000
LGA    F    95_B      F    95_B    13.665     0    0.058   0.600    14.808    0.000    0.000
LGA    L    96_B      L    96_B    12.894     0    0.078   1.315    14.697    0.000    0.000
LGA    A    97_B      A    97_B    11.058     0    0.578   0.583    12.256    0.476    0.381
LGA    E    98_B      E    98_B     6.849     0    0.622   1.401    13.566   20.357    9.841
LGA    F    99_B      F    99_B     0.954     0    0.642   1.257     6.674   79.524   50.606
LGA    D   100_B      D   100_B     1.309     0    0.067   1.086     4.301   75.119   65.774
LGA    A   101_B      A   101_B     2.501     0    0.065   0.074     3.282   59.286   60.381
LGA    L   102_B      L   102_B     2.417     0    0.063   1.635     4.534   59.167   54.345
LGA    I   103_B      I   103_B     3.485     0    0.038   0.901     6.748   50.000   38.036
LGA    D   104_B      D   104_B     3.136     0    0.026   0.499     4.162   57.381   49.643
LGA    Q   105_B      Q   105_B     1.665     0    0.082   0.506     2.193   72.976   73.862
LGA    A   106_B      A   106_B     2.332     0    0.049   0.055     2.931   64.762   63.238
LGA    F   107_B      F   107_B     2.836     0    0.120   0.877     8.390   65.000   35.455
LGA    A   108_B      A   108_B     1.324     0    0.044   0.045     1.667   81.548   79.810
LGA    R   109_B      R   109_B     1.615     0    0.081   0.717     7.728   75.000   47.100
LGA    L   110_B      L   110_B     2.226     3    0.068   0.067     2.653   70.833   42.560
LGA    K   111_B      K   111_B     1.099     2    0.041   0.925     3.959   64.048   46.720
LGA    A   112_B      A   112_B     7.159     0    0.565   0.597     9.177   11.905   10.476
LGA    D   113_B      D   113_B    11.099     0    0.675   1.305    15.369    0.357    0.179
LGA    S   114_B      S   114_B    10.907     0    0.035   0.544    12.345    0.000    0.000
LGA    L   115_B      L   115_B    10.815     0    0.165   0.737    14.557    0.000    1.726
LGA    T   116_B      T   116_B    15.351     0    0.146   0.969    17.126    0.000    0.000
LGA    L   117_B      L   117_B    18.445     0    0.157   0.202    24.211    0.000    0.000
LGA    K   118_B      K   118_B    20.065     0    0.121   0.877    22.981    0.000    0.000
LGA    I   119_B      I   119_B    26.685     0    0.592   1.316    30.898    0.000    0.000
LGA    H   120_B      H   120_B    27.761     0    0.241   1.039    28.469    0.000    0.000
LGA    L   121_B      L   121_B    29.115     0    0.037   0.747    30.640    0.000    0.000
LGA    S   122_B      S   122_B    31.130     0    0.098   0.566    31.540    0.000    0.000
LGA    Q   123_B      Q   123_B    32.917     4    0.609   0.599    34.159    0.000    0.000
LGA    G   124_B      G   124_B    30.168     0    0.259   0.259    30.763    0.000    0.000
LGA    K   125_B      K   125_B    26.049     4    0.069   0.073    27.624    0.000    0.000
LGA    G   126_B      G   126_B    18.977     0    0.136   0.136    21.612    0.000    0.000
LGA    S   127_B      S   127_B    16.942     0    0.206   0.538    17.177    0.000    0.000
LGA    Y   128_B      Y   128_B    17.988     0    0.590   1.283    26.246    0.000    0.000
LGA    E   129_B      E   129_B    13.648     0    0.441   1.277    15.922    0.000    0.000
LGA    I   130_B      I   130_B     9.136     0    0.260   1.373    12.269    8.929    4.702
LGA    I   131_B      I   131_B     2.455     0    0.601   0.886     4.901   58.452   48.571
LGA    F   132_B      F   132_B     1.045     0    0.072   0.346    10.462   66.190   32.641
LGA    P   133_B      P   133_B     5.249     0    0.026   0.155     7.046   25.833   40.136
LGA    P   134_B      P   134_B    11.519     0    0.622   0.694    13.778    0.357    0.204
LGA    E   135_B      E   135_B    12.488     4    0.089   0.090    13.432    0.000    0.000
LGA    V   136_B      V   136_B     8.876     0    0.657   1.139     9.931    3.810    3.469
LGA    Q   137_B      Q   137_B     8.992     4    0.249   0.271     9.639    2.143    1.005
LGA    A   138_B      A   138_B     9.623     0    0.229   0.222    10.642    3.929    3.143
LGA    D   139_B      D   139_B     6.311     0    0.144   0.345     7.594   20.476   25.595
LGA    P   140_B      P   140_B     4.872     0    0.077   0.185     6.711   36.548   27.755
LGA    E   141_B      E   141_B     2.239     0    0.065   1.101     4.030   65.119   59.312
LGA    R   142_B      R   142_B     2.756     0    0.078   1.574    11.629   62.857   31.299
LGA    A   143_B      A   143_B     2.407     0    0.081   0.153     2.826   70.952   68.190
LGA    A   144_B      A   144_B     1.771     0    0.051   0.053     2.472   70.833   69.619
LGA    A   145_B      A   145_B     2.573     0    0.040   0.058     3.430   59.286   58.857
LGA    I   146_B      I   146_B     2.725     0    0.128   1.362     4.675   59.048   50.655
LGA    E   147_B      E   147_B     2.218     0    0.030   1.060     5.444   62.857   50.635
LGA    A   148_B      A   148_B     2.684     0    0.037   0.039     3.370   57.262   57.238
LGA    L   149_B      L   149_B     3.152     0    0.044   0.840     6.026   51.786   43.571
LGA    W   150_B      W   150_B     3.062     0    0.039   1.569     6.665   50.119   49.218
LGA    K   151_B      K   151_B     3.039     4    0.049   0.062     3.305   53.571   29.365
LGA    P   152_B      P   152_B     2.703     0    0.114   0.268     3.718   59.048   55.238
LGA    T   153_B      T   153_B     3.171     0    0.064   0.109     4.736   55.476   46.803
LGA    L   154_B      L   154_B     2.700     0    0.074   0.465     3.713   62.976   55.655
LGA    D   155_B      D   155_B     1.491     0    0.057   0.317     2.648   79.286   76.250
LGA    Q   156_B      Q   156_B     1.935     0    0.046   1.002     3.434   72.857   61.746
LGA    L   157_B      L   157_B     2.233     0    0.043   1.103     2.924   68.810   66.964
LGA    L   158_B      L   158_B     1.654     0    0.032   1.338     3.530   77.143   70.536
LGA    A   159_B      A   159_B     0.890     0    0.030   0.036     1.316   90.476   88.667
LGA    V   160_B      V   160_B     1.109     0    0.027   0.296     2.154   85.952   79.184
LGA    L   161_B      L   161_B     1.673     0    0.032   0.878     4.108   75.000   65.476
LGA    Q   162_B      Q   162_B     1.597     0    0.047   0.832     3.663   75.000   67.196
LGA    E   163_B      E   163_B     1.286     3    0.099   0.151     1.979   81.429   53.333
LGA    K   164_B      K   164_B     1.721     4    0.089   0.086     2.841   69.048   38.783
LGA    H   165_B      H   165_B     2.982     0    0.298   0.513     4.953   52.262   44.571
LGA    K   166_B      K   166_B     3.884     2    0.391   0.365     6.067   35.476   31.746
LGA    G   167_B      G   167_B     6.868     0    0.680   0.680    11.333   10.000   10.000
LGA    K   168_B      K   168_B    12.591     0    0.157   1.301    19.289    0.000    0.000
LGA    P   169_B      P   169_B    14.921     0    0.512   0.533    18.857    0.000    0.000
LGA    A   170_B      A   170_B    15.421     0    0.580   0.552    17.245    0.000    0.000
LGA    T   171_B      T   171_B    16.268     0    0.394   1.330    16.503    0.000    0.000
LGA    T   172_B      T   172_B    19.245     0    0.227   0.920    23.065    0.000    0.000
LGA    V   173_B      V   173_B    24.197     0    0.309   0.390    27.205    0.000    0.000
LGA    T   174_B      T   174_B    27.845     0    0.270   1.300    31.485    0.000    0.000
LGA    Y   175_B      Y   175_B    28.242     0    0.139   1.254    29.495    0.000    0.000
LGA    E   176_B      E   176_B    29.035     0    0.615   1.148    35.018    0.000    0.000
LGA    I   177_B      I   177_B    28.571     0    0.094   0.209    29.429    0.000    0.000
LGA    S   178_B      S   178_B    29.244     0    0.044   0.585    29.573    0.000    0.000
LGA    A   179_B      A   179_B    30.661     0    0.589   0.592    31.389    0.000    0.000
LGA    E   180_B      E   180_B    30.321     0    0.041   1.101    33.825    0.000    0.000
LGA    T   181_B      T   181_B    24.515     0    0.043   0.056    26.728    0.000    0.000
LGA    L   182_B      L   182_B    22.878     0    0.058   1.379    23.861    0.000    0.000
LGA    R   183_B      R   183_B    26.208     0    0.046   1.350    31.607    0.000    0.000
LGA    A   184_B      A   184_B    24.801     0    0.048   0.048    25.313    0.000    0.000
LGA    A   185_B      A   185_B    18.976     0    0.036   0.046    21.027    0.000    0.000
LGA    V   186_B      V   186_B    20.668     0    0.049   0.110    22.329    0.000    0.000
LGA    A   187_B      A   187_B    25.140     0    0.025   0.046    26.919    0.000    0.000
LGA    A   188_B      A   188_B    21.754     0    0.037   0.057    22.623    0.000    0.000
LGA    L   189_B      L   189_B    18.495     0    0.055   1.195    20.412    0.000    0.000
LGA    A   190_B      A   190_B    23.410     0    0.049   0.060    25.694    0.000    0.000
LGA    R   191_B      R   191_B    26.638     0    0.038   1.138    32.237    0.000    0.000
LGA    A   192_B      A   192_B    23.162     0    0.064   0.065    24.853    0.000    0.000
LGA    A   193_B      A   193_B    23.611     0    0.039   0.046    27.100    0.000    0.000
LGA    E   194_B      E   194_B    29.898     0    0.045   1.064    34.677    0.000    0.000
LGA    A   195_B      A   195_B    31.115     0    0.030   0.043    32.708    0.000    0.000
LGA    A   196_B      A   196_B    29.036     0    0.021   0.040    32.052    0.000    0.000
LGA    L   197_B      L   197_B    31.962     0    0.039   1.242    35.785    0.000    0.000
LGA    R   198_B      R   198_B    37.316     0    0.039   1.719    40.001    0.000    0.000
LGA    R   199_B      R   199_B    37.398     0    0.028   1.304    39.505    0.000    0.000
LGA    K   200_B      K   200_B    36.692     0    0.048   1.035    39.833    0.000    0.000
LGA    V   201_B      V   201_B    40.736     0    0.061   0.124    44.084    0.000    0.000
LGA    G   202_B      G   202_B    44.522     0    0.236   0.236    46.674    0.000    0.000
LGA    S   203_B      S   203_B    44.351     1    0.204   0.301    44.351    0.000    0.000
LGA    L   204_B      L   204_B    45.010     3    0.233   0.231    46.715    0.000    0.000
LGA    E   205_B      E   205_B    40.812     4    0.389   0.369    42.341    0.000    0.000
LGA    S   206_B      S   206_B    38.922     1    0.692   0.631    40.769    0.000    0.000
LGA    S   207_B      S   207_B    36.241     0    0.175   0.214    37.437    0.000    0.000
LGA    G   208_B      G   208_B    31.635     0    0.090   0.090    32.995    0.000    0.000
LGA    L   209_B      L   209_B    30.780     3    0.398   0.371    33.325    0.000    0.000
LGA    E   210_B      E   210_B    24.399     4    0.518   0.478    26.515    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    21.214         21.118                 21.375           13.974   11.805

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     42    2.40    18.841    15.912     1.683

LGA_LOCAL      RMSD:   2.396  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.294  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  21.214  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.094514 * X  +   0.742161 * Y  +  -0.663524 * Z  + -10.638411
  Y_new =   0.991666 * X  +   0.011570 * Y  +  -0.128314 * Z  + -10.910102
  Z_new =  -0.087553 * X  +  -0.670121 * Y  +  -0.737070 * Z  +  53.788834 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.665818  0.087665 -2.403735   [DEG:   95.4443    5.0228 -137.7238 ]
ZXZ: -1.379771  2.399521 -3.011676   [DEG:  -79.0551  137.4824 -172.5563 ]
 
# END of job
