
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      14_A - 71_A        4.92    20.21
  LONGEST_CONTINUOUS_SEGMENT:    58      15_A - 72_A        4.94    20.17
  LCS_AVERAGE:     28.68

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      50_A - 69_A        1.66    20.60
  LCS_AVERAGE:      8.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      50_A - 63_A        0.63    20.92
  LCS_AVERAGE:      5.27

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     D     3_A     D     3_A      3    5   10      3    3    3    3    5    7    7    7    7    7    8    8    9   17   22   24   24   24   24   26 
LCS_GDT     V     4_A     V     4_A      4    5   10      3    3    4    4    5    7    7    7    7   10   12   13   13   17   18   24   24   24   24   26 
LCS_GDT     D     5_A     D     5_A      4    5   12      3    3    4    4    5    7    7    7    8   10   19   19   20   20   22   24   24   24   24   26 
LCS_GDT     K     6_A     K     6_A      4    5   12      3    4    4    4    5    7    7   10   12   13   19   19   20   20   22   24   24   24   24   26 
LCS_GDT     R     7_A     R     7_A      4    5   12      3    4    4    4    5    7    7   10   12   13   19   19   20   20   22   24   24   24   24   26 
LCS_GDT     K     8_A     K     8_A      4    8   12      3    4    4    7    8    9    9   15   15   17   19   19   20   20   22   24   24   24   24   26 
LCS_GDT     I     9_A     I     9_A      6    8   12      5    5    6    7    8    9    9    9    9   17   19   19   20   20   22   24   24   24   24   26 
LCS_GDT     K    10_A     K    10_A      6    8   12      5    5    6    7    8    9    9    9    9   11   11   18   18   18   18   19   22   25   32   39 
LCS_GDT     I    11_A     I    11_A      6    8   26      5    5    6    7    8    9    9   16   16   16   16   18   18   18   19   22   29   39   46   58 
LCS_GDT     I    12_A     I    12_A      6    8   28      5    5    6    7    8    9   13   15   15   16   17   17   20   26   40   46   52   62   65   67 
LCS_GDT     L    13_A     L    13_A      6    8   55      5    5    6    7    8    9   12   18   21   21   23   25   34   40   46   52   58   63   65   67 
LCS_GDT     N    14_A     N    14_A      6   13   58      1    4    6    7   10   14   18   20   23   27   31   34   42   46   50   58   61   63   65   67 
LCS_GDT     G    15_A     G    15_A      4   13   58      3    4    5    9   12   17   20   26   29   36   41   45   50   56   59   60   61   63   65   67 
LCS_GDT     E    16_A     E    16_A      4   13   58      3    4    7    9   15   20   27   31   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     M    17_A     M    17_A      4   13   58      3    4    6    7   15   20   27   32   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     E    18_A     E    18_A      7   13   58      5    6    8   10   14   23   28   32   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     E    19_A     E    19_A      7   13   58      5    6    8   11   14   23   28   32   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     A    20_A     A    20_A      7   13   58      5    6    8   11   16   24   28   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     E    21_A     E    21_A      7   13   58      5    6    8   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     L    22_A     L    22_A      7   13   58      5   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     H    23_A     H    23_A      7   13   58      5    6    7   13   21   24   29   33   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     M    24_A     M    24_A      7   13   58      4    6   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     I    25_A     I    25_A      6   14   58      4    6    8   15   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     T    26_A     T    26_A      6   14   58      4    6    7   12   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     S    27_A     S    27_A      6   14   58      3    6    7   12   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     P    28_A     P    28_A      6   14   58      3    6    7   12   17   22   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    29_A     N    29_A      3   14   58      3    3    6   11   17   22   26   34   37   41   47   51   54   56   59   60   61   63   64   67 
LCS_GDT     R    30_A     R    30_A      8   14   58      4    7    8   12   17   22   25   34   37   41   47   50   54   56   59   60   61   63   65   67 
LCS_GDT     H    31_A     H    31_A      8   14   58      4    6    8    9   18   25   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     C    32_A     C    32_A      8   14   58      4    7    8   12   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     C    33_A     C    33_A      8   14   58      4    7   12   17   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     L    34_A     L    34_A      8   14   58      4    7    8   12   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     K    35_A     K    35_A      8   14   58      4    7   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     I    36_A     I    36_A      8   14   58      4    7    8   16   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     F    37_A     F    37_A      8   14   58      4    7    8   11   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     H    38_A     H    38_A      7   14   58      4   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    39_A     N    39_A      4   14   58      3    4    6    9   14   24   28   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    40_A     N    40_A      4   11   58      3    4    5    7   10   15   23   31   35   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    41_A     N    41_A      4    8   58      3    4    5    9   11   23   28   32   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     Q    42_A     Q    42_A      4    8   58      3    4    5    9   12   23   28   32   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     L    43_A     L    43_A      4    8   58      3    4    5    5    8   13   16   22   25   34   40   45   47   55   58   60   61   63   65   67 
LCS_GDT     A    44_A     A    44_A      5    8   58      3    4    5    6   10   13   16   22   26   34   40   49   54   55   59   60   61   63   65   67 
LCS_GDT     E    45_A     E    45_A      5    8   58      3    4    5    8   10   13   16   21   25   34   40   49   54   55   59   60   61   63   65   67 
LCS_GDT     S    46_A     S    46_A      5    8   58      3    4    5    8   10   13   16   25   29   38   46   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    47_A     N    47_A      5    8   58      3    4    5    8   10   13   18   23   32   35   42   51   54   56   59   60   61   63   65   67 
LCS_GDT     D    48_A     D    48_A      5    6   58      3    4    5    6   10   16   17   23   28   35   46   51   54   56   59   60   61   63   65   67 
LCS_GDT     T    49_A     T    49_A      3   15   58      3    3    4    8   13   22   28   31   35   39   44   48   53   56   59   60   61   63   65   67 
LCS_GDT     D    50_A     D    50_A     14   20   58     10   15   15   18   21   25   29   33   37   41   45   50   54   56   59   60   61   63   65   67 
LCS_GDT     Y    51_A     Y    51_A     14   20   58     10   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     F    52_A     F    52_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     S    53_A     S    53_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     C    54_A     C    54_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     F    55_A     F    55_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     A    56_A     A    56_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     D    57_A     D    57_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     L    58_A     L    58_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     R    59_A     R    59_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    60_A     N    60_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     Q    61_A     Q    61_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     L    62_A     L    62_A     14   20   58     11   15   15   18   23   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     K    63_A     K    63_A     14   20   58      4    5   15   17   21   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     N    64_A     N    64_A      3   20   58      3    3    5    6   10   19   21   29   35   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     I    65_A     I    65_A      5   20   58      1    4    5   16   20   26   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     I    66_A     I    66_A      5   20   58      3    4   15   17   18   21   26   32   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     F    67_A     F    67_A      5   20   58      3   10   15   17   18   22   30   34   37   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     L    68_A     L    68_A      5   20   58      4    5   13   17   18   19   21   28   35   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     C    69_A     C    69_A      5   20   58      4    4   11   17   18   19   21   28   35   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     K    70_A     K    70_A      5   18   58      4    4    6    7   11   18   21   23   31   38   46   50   53   56   59   60   61   63   65   67 
LCS_GDT     G    71_A     G    71_A      5    8   58      4    4    6    9   13   17   21   28   35   41   47   51   53   56   59   60   61   63   65   67 
LCS_GDT     A    72_A     A    72_A      3    8   58      3    3    5    7    8   12   14   17   18   18   19   24   30   38   45   49   56   59   63   64 
LCS_GDT     K    73_A     K    73_A      3    8   33      3    3    3    5    6    9   14   17   18   18   18   23   25   36   42   47   52   56   60   64 
LCS_GDT     I    74_A     I    74_A      4    8   30      3    4    4    7    8   11   14   17   18   18   18   20   25   31   34   45   52   56   60   64 
LCS_GDT     N    75_A     N    75_A      4    8   30      3    4    5    7    8   12   15   20   21   24   27   31   34   42   45   51   56   59   63   64 
LCS_GDT     V    76_A     V    76_A      4    8   30      3    4    5    7    8   13   16   22   25   27   36   43   50   56   59   60   60   63   64   67 
LCS_GDT     Y    77_A     Y    77_A      4   10   30      3    4    6    8   11   14   20   27   35   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     P    78_A     P    78_A      3   10   30      3    3    4   10   14   17   24   29   36   41   47   51   54   56   59   60   61   63   65   67 
LCS_GDT     S    79_A     S    79_A      8   10   21      6    8    8    8    9   11   14   17   18   22   32   37   40   45   50   56   61   63   65   67 
LCS_GDT     A    80_A     A    80_A      8   10   21      6    8    8    8    9   12   14   17   19   21   27   31   36   42   47   52   58   61   65   67 
LCS_GDT     M    81_A     M    81_A      8   10   21      6    8    8    8    9   12   14   17   18   18   18   19   20   22   25   29   46   48   51   53 
LCS_GDT     S    82_A     S    82_A      8   10   21      6    8    8    8    9   12   14   17   18   18   18   19   21   30   34   42   46   49   51   59 
LCS_GDT     R    83_A     R    83_A      8   10   21      6    8    8    8    9   12   14   17   18   18   18   19   22   28   34   42   46   48   54   56 
LCS_GDT     D    84_A     D    84_A      8   10   21      6    8    8    8    9   12   14   17   18   18   18   19   20   22   25   31   32   33   47   53 
LCS_GDT     M    85_A     M    85_A      8   10   21      6    8    8    8    9   12   14   17   18   18   18   19   20   22   23   25   31   33   34   36 
LCS_GDT     S    86_A     S    86_A      8   10   21      4    8    8    8    9   10   14   17   18   18   18   19   20   22   23   24   26   29   32   36 
LCS_GDT     D    87_A     D    87_A      5    9   21      3    3    6    6    6    6    9   11   13   16   18   19   20   22   23   24   26   28   31   33 
LCS_GDT     G    88_A     G    88_A      5    6   21      3    4    6    6    6    8    8   10   10   11   14   18   20   22   23   24   25   27   28   33 
LCS_GDT     I    89_A     I    89_A      5    6   21      3    4    6    6    6    8    9   11   13   15   18   19   20   22   23   24   25   29   29   36 
LCS_GDT     V    90_A     V    90_A      5    7   21      3    4    6    6    6    8    8   10   16   16   18   19   20   22   28   31   32   33   36   38 
LCS_GDT     A    91_A     A    91_A      4    7   21      3    3    4    6    6    8    9   12   16   16   18   19   23   30   34   42   46   49   51   59 
LCS_GDT     Y    92_A     Y    92_A      5    7   21      4    5    5    6    6   10   12   15   16   18   25   27   30   32   39   44   46   53   56   64 
LCS_GDT     E    93_A     E    93_A      5    7   21      4    5    5    6    6    8    9   12   16   17   20   23   38   40   47   51   58   62   65   67 
LCS_GDT     T    94_A     T    94_A      5    7   21      4    5    5    6    6    8    9   12   16   16   18   22   26   30   35   44   51   62   65   67 
LCS_GDT     T    95_A     T    95_A      5    7   21      4    5    5    6    7    8    9   12   16   16   18   19   24   30   35   38   41   53   59   66 
LCS_GDT     L    96_A     L    96_A      5    7   21      4    5    5    6    6    8    8   11   16   16   18   19   20   22   25   28   31   41   45   50 
LCS_GDT     G    97_A     G    97_A      4    7   21      3    3    4    5    6    8    9   12   16   16   18   19   20   22   23   28   29   31   35   41 
LCS_GDT     Q    98_A     Q    98_A      4    9   21      3    3    4    6    8    9   10   11   12   14   18   19   20   22   27   32   35   42   50   55 
LCS_GDT     P    99_A     P    99_A      4    9   21      3    3    4    6    8    9   10   11   12   13   15   19   20   22   25   32   35   41   45   49 
LCS_GDT     G   100_A     G   100_A      6    9   16      3    4    6    6    8    9   10   11   12   12   15   19   20   22   27   32   36   42   45   55 
LCS_GDT     L   101_A     L   101_A      6    9   16      5    5    6    7    8    9   10   11   12   13   16   19   23   25   30   38   39   45   46   59 
LCS_GDT     P   102_A     P   102_A      6    9   16      5    5    6    7    8    9   10   11   12   13   15   17   23   25   30   38   41   45   46   49 
LCS_GDT     E   103_A     E   103_A      6    9   16      5    5    6    7    8    9   10   11   12   13   17   20   25   30   35   38   41   45   46   49 
LCS_GDT     N   104_A     N   104_A      6    9   16      5    5    6    7    8    9   10   11   12   14   17   20   25   30   35   44   49   53   59   66 
LCS_GDT     Q   105_A     Q   105_A      6    9   16      5    5    6    7    8    9   10   11   12   14   17   20   25   30   35   38   49   51   57   65 
LCS_GDT     V   106_A     V   106_A      4    9   16      3    4    5    7    8    9   10   11   12   14   17   20   25   30   35   44   49   51   59   65 
LCS_GDT     H   107_A     H   107_A      4    8   16      3    4    5    7    8    9   10   11   12   15   20   21   28   31   38   45   55   59   61   66 
LCS_GDT     I   108_A     I   108_A      3    8   16      3    3    3    5    7    9    9   11   12   15   20   25   30   38   45   50   58   59   62   66 
LCS_GDT     F   109_A     F   109_A      3    5   16      3    3    4    6    9   10   12   12   13   14   16   25   36   42   45   55   58   61   63   66 
LCS_GDT     D   110_A     D   110_A      3    5   15      3    3    4    5    6    6    8   10   10   14   16   23   28   36   43   48   54   59   62   65 
LCS_GDT     F   111_A     F   111_A      3    5   24      3    3    4    4    6    8    9   10   10   11   12   13   16   20   23   25   35   40   47   50 
LCS_GDT     E   112_A     E   112_A      3    5   24      3    3    4    4    6    8   11   14   15   17   21   22   23   23   23   23   25   28   32   36 
LCS_GDT     D   113_A     D   113_A      3    5   24      3    3    4    6    6    8    9   11   15   17   18   20   23   23   23   23   25   31   32   35 
LCS_GDT     K   114_A     K   114_A      3    6   24      3    3    4    6    9   10   11   14   15   18   21   22   23   23   23   23   25   28   31   36 
LCS_GDT     Y   115_A     Y   115_A      3    6   24      3    3    4    6    9   10   11   14   15   18   21   22   23   23   23   25   31   31   34   36 
LCS_GDT     V   116_A     V   116_A      3    6   24      3    3    4    5    9   10   11   14   15   18   21   22   23   23   25   29   31   33   34   36 
LCS_GDT     D   117_A     D   117_A      4    6   24      3    4    4    5    9   10   11   14   15   18   21   22   23   23   25   29   31   33   34   36 
LCS_GDT     I   118_A     I   118_A      4    6   24      3    4    4    6    9   10   11   14   15   18   21   22   23   23   25   29   31   33   34   36 
LCS_GDT     T   119_A     T   119_A      4   16   24      3    4    5   12   14   14   15   16   17   18   22   23   24   25   26   29   31   33   34   36 
LCS_GDT     P   120_A     P   120_A      4   16   24      3   10   12   14   15   16   16   17   18   21   22   23   24   25   26   29   31   33   34   36 
LCS_GDT     E   121_A     E   121_A     13   16   24      3    3    8   14   15   15   15   16   18   21   22   23   24   25   26   29   31   33   34   36 
LCS_GDT     E   122_A     E   122_A     13   16   24      4   11   12   14   15   16   16   17   18   21   22   23   24   25   26   29   31   33   34   36 
LCS_GDT     Q   123_A     Q   123_A     13   16   24      4   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   31   31   34   36 
LCS_GDT     R   124_A     R   124_A     13   16   24      4   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   31   33   34   36 
LCS_GDT     K   125_A     K   125_A     13   16   24      4   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   31   31   34   36 
LCS_GDT     F   126_A     F   126_A     13   16   24      4   10   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   36 
LCS_GDT     H   127_A     H   127_A     13   16   24      6   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   36 
LCS_GDT     S   128_A     S   128_A     13   16   24      6   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   36 
LCS_GDT     Q   129_A     Q   129_A     13   16   24      6   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   36 
LCS_GDT     W   130_A     W   130_A     13   16   24      6   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   36 
LCS_GDT     F   131_A     F   131_A     13   16   24      6   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   34 
LCS_GDT     E   132_A     E   132_A     13   16   24      6   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   34 
LCS_GDT     S   133_A     S   133_A     13   16   24      4   11   12   14   15   16   16   17   18   21   22   23   24   25   26   28   28   31   32   34 
LCS_GDT     L   134_A     L   134_A     13   16   24      3    3    9   14   15   15   15   16   16   21   22   23   23   25   26   28   28   31   32   34 
LCS_AVERAGE  LCS_A:  14.31  (   5.27    8.98   28.68 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     11     15     15     18     23     26     30     34     37     41     47     51     54     56     59     60     61     63     65     67 
GDT PERCENT_AT   8.33  11.36  11.36  13.64  17.42  19.70  22.73  25.76  28.03  31.06  35.61  38.64  40.91  42.42  44.70  45.45  46.21  47.73  49.24  50.76
GDT RMS_LOCAL    0.28   0.59   0.59   1.00   1.87   2.05   2.37   2.70   2.86   3.35   3.84   4.16   4.36   4.46   4.71   4.79   5.08   5.30   5.91   5.99
GDT RMS_ALL_AT  20.96  21.61  21.61  21.84  21.53  21.44  21.22  20.99  21.16  20.85  20.13  20.25  20.35  20.10  20.07  20.09  20.10  19.99  19.93  19.82

# Checking swapping
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  D   117_A      D   117_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   131_A      F   131_A
#   possible swapping detected:  E   132_A      E   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A    44.456     3    0.030   0.043    46.421    0.000    0.000
LGA    V     4_A      V     4_A    39.456     0    0.162   0.941    41.122    0.000    0.000
LGA    D     5_A      D     5_A    35.578     0    0.062   1.241    37.251    0.000    0.000
LGA    K     6_A      K     6_A    29.526     0    0.594   0.861    31.620    0.000    0.000
LGA    R     7_A      R     7_A    27.148     0    0.273   1.230    29.973    0.000    0.000
LGA    K     8_A      K     8_A    23.940     0    0.350   0.640    25.623    0.000    0.000
LGA    I     9_A      I     9_A    23.136     0    0.127   1.290    24.922    0.000    0.000
LGA    K    10_A      K    10_A    21.342     0    0.106   0.923    26.175    0.000    0.000
LGA    I    11_A      I    11_A    18.378     0    0.063   1.191    19.217    0.000    0.000
LGA    I    12_A      I    12_A    16.723     0    0.035   0.620    18.956    0.000    0.000
LGA    L    13_A      L    13_A    14.396     0    0.583   0.487    15.319    0.000    0.000
LGA    N    14_A      N    14_A    13.886     0    0.517   0.763    16.791    0.000    0.000
LGA    G    15_A      G    15_A    11.957     0    0.718   0.718    13.088    0.000    0.000
LGA    E    16_A      E    16_A     8.892     0    0.050   1.213    12.931    8.214    4.497
LGA    M    17_A      M    17_A     7.804     0    0.596   0.956    14.699   13.333    6.726
LGA    E    18_A      E    18_A     6.309     0    0.581   1.147     9.075   18.333   16.190
LGA    E    19_A      E    19_A     4.737     0    0.036   0.850     5.862   32.976   29.259
LGA    A    20_A      A    20_A     3.733     0    0.101   0.164     4.109   40.238   40.857
LGA    E    21_A      E    21_A     2.931     0    0.071   0.961     4.818   59.048   49.788
LGA    L    22_A      L    22_A     2.537     0    0.041   1.021     5.057   50.357   43.512
LGA    H    23_A      H    23_A     4.291     0    0.173   1.337    11.910   50.476   23.190
LGA    M    24_A      M    24_A     2.610     0    0.159   1.034     9.223   59.167   42.798
LGA    I    25_A      I    25_A     2.252     0    0.221   1.384     6.820   66.786   55.952
LGA    T    26_A      T    26_A     2.266     0    0.067   1.053     5.283   64.762   58.299
LGA    S    27_A      S    27_A     2.118     0    0.131   0.125     3.284   59.167   65.159
LGA    P    28_A      P    28_A     3.135     0    0.202   0.230     3.159   51.786   52.041
LGA    N    29_A      N    29_A     4.028     0    0.049   1.047     6.481   41.786   34.167
LGA    R    30_A      R    30_A     3.685     0    0.617   1.372    13.407   37.857   17.186
LGA    H    31_A      H    31_A     3.037     0    0.073   1.138    10.767   69.286   32.095
LGA    C    32_A      C    32_A     2.099     0    0.041   0.054     6.980   59.881   46.508
LGA    C    33_A      C    33_A     2.399     0    0.041   0.676     5.576   77.619   59.683
LGA    L    34_A      L    34_A     1.970     0    0.074   1.089     9.538   65.476   40.536
LGA    K    35_A      K    35_A     1.671     0    0.043   1.423     9.535   82.500   47.249
LGA    I    36_A      I    36_A     1.990     0    0.112   1.026     8.325   71.548   44.583
LGA    F    37_A      F    37_A     2.458     0    0.169   1.006    11.024   65.119   29.048
LGA    H    38_A      H    38_A     1.499     0    0.586   0.490     6.922   73.452   47.476
LGA    N    39_A      N    39_A     4.772     0    0.430   1.001     5.354   31.786   31.667
LGA    N    40_A      N    40_A     7.046     0    0.693   1.114    13.358   15.357    7.738
LGA    N    41_A      N    41_A     6.398     0    0.091   1.511     7.820   15.357   14.048
LGA    Q    42_A      Q    42_A     6.293     0    0.186   1.029     9.316   12.857   12.698
LGA    L    43_A      L    43_A    10.327     0    0.654   0.971    16.554    0.714    0.357
LGA    A    44_A      A    44_A     9.700     0    0.031   0.053     9.842    0.476    0.667
LGA    E    45_A      E    45_A     9.695     0    0.035   0.143    11.954    0.952    0.423
LGA    S    46_A      S    46_A     8.245     0    0.170   0.591     8.838    3.810    7.619
LGA    N    47_A      N    47_A     9.536     0    0.216   0.852    16.086    1.548    0.774
LGA    D    48_A      D    48_A     9.357     0    0.476   1.206    11.683    1.548    0.774
LGA    T    49_A      T    49_A     8.398     0    0.219   1.228     8.943    8.095    5.850
LGA    D    50_A      D    50_A     4.340     0    0.648   1.006     4.748   40.476   41.250
LGA    Y    51_A      Y    51_A     2.810     0    0.146   1.444     8.792   57.262   36.230
LGA    F    52_A      F    52_A     2.482     0    0.024   0.123     3.101   62.857   57.922
LGA    S    53_A      S    53_A     2.834     0    0.039   0.713     4.232   57.143   52.619
LGA    C    54_A      C    54_A     2.547     0    0.026   0.777     3.303   62.976   59.841
LGA    F    55_A      F    55_A     1.315     0    0.035   0.574     2.342   79.286   77.662
LGA    A    56_A      A    56_A     1.778     0    0.028   0.041     2.178   72.857   71.238
LGA    D    57_A      D    57_A     2.202     0    0.036   0.951     4.792   68.810   56.488
LGA    L    58_A      L    58_A     1.518     0    0.044   1.358     4.201   77.143   67.917
LGA    R    59_A      R    59_A     0.998     0    0.045   0.885     2.651   83.690   84.156
LGA    N    60_A      N    60_A     1.970     0    0.070   1.321     5.762   70.833   58.690
LGA    Q    61_A      Q    61_A     1.659     0    0.162   1.090     4.052   75.000   66.296
LGA    L    62_A      L    62_A     0.975     0    0.383   1.156     4.715   88.214   72.381
LGA    K    63_A      K    63_A     3.711     0    0.612   1.003     8.946   38.690   25.979
LGA    N    64_A      N    64_A     5.588     0    0.588   1.296     7.495   31.786   22.619
LGA    I    65_A      I    65_A     3.841     0    0.594   1.403     8.348   34.524   28.095
LGA    I    66_A      I    66_A     5.498     0    0.084   1.150    11.374   30.119   18.036
LGA    F    67_A      F    67_A     4.273     0    0.076   1.330     8.437   29.048   26.147
LGA    L    68_A      L    68_A     7.453     0    0.343   0.808     9.175   10.476    6.488
LGA    C    69_A      C    69_A     7.432     0    0.115   0.725     9.624    5.833    9.683
LGA    K    70_A      K    70_A    10.434     0    0.066   0.888    17.189    0.476    0.212
LGA    G    71_A      G    71_A     8.627     0    0.192   0.192    12.162    1.905    1.905
LGA    A    72_A      A    72_A    14.669     0    0.681   0.647    16.152    0.000    0.000
LGA    K    73_A      K    73_A    16.193     0    0.619   1.079    18.851    0.000    0.000
LGA    I    74_A      I    74_A    17.471     0    0.684   1.135    21.486    0.000    0.000
LGA    N    75_A      N    75_A    12.736     0    0.247   0.414    14.289    0.000    0.000
LGA    V    76_A      V    76_A     9.302     0    0.613   1.109    10.614    2.738    1.973
LGA    Y    77_A      Y    77_A     9.090     0    0.617   0.973    17.838    4.048    1.349
LGA    P    78_A      P    78_A     6.955     0    0.086   0.206     9.232    7.738   11.224
LGA    S    79_A      S    79_A    12.768     0    0.396   0.699    15.062    0.000    0.000
LGA    A    80_A      A    80_A    16.270     0    0.044   0.049    19.289    0.000    0.000
LGA    M    81_A      M    81_A    19.482     0    0.036   0.613    23.649    0.000    0.000
LGA    S    82_A      S    82_A    18.148     0    0.048   0.528    20.121    0.000    0.000
LGA    R    83_A      R    83_A    19.845     0    0.031   1.615    23.285    0.000    0.000
LGA    D    84_A      D    84_A    24.517     0    0.061   0.804    28.342    0.000    0.000
LGA    M    85_A      M    85_A    26.156     0    0.115   1.056    28.895    0.000    0.000
LGA    S    86_A      S    86_A    25.628     0    0.688   0.626    25.926    0.000    0.000
LGA    D    87_A      D    87_A    26.579     0    0.649   0.799    29.506    0.000    0.000
LGA    G    88_A      G    88_A    27.202     0    0.246   0.246    27.202    0.000    0.000
LGA    I    89_A      I    89_A    24.510     0    0.684   0.818    25.735    0.000    0.000
LGA    V    90_A      V    90_A    24.626     0    0.591   0.582    27.610    0.000    0.000
LGA    A    91_A      A    91_A    19.286     0    0.098   0.167    20.918    0.000    0.000
LGA    Y    92_A      Y    92_A    17.833     0    0.123   1.067    23.225    0.000    0.000
LGA    E    93_A      E    93_A    16.154     0    0.079   1.137    18.452    0.000    0.000
LGA    T    94_A      T    94_A    17.430     0    0.105   1.170    18.288    0.000    0.000
LGA    T    95_A      T    95_A    21.886     0    0.039   1.083    24.639    0.000    0.000
LGA    L    96_A      L    96_A    25.441     0    0.220   1.419    27.529    0.000    0.000
LGA    G    97_A      G    97_A    30.381     0    0.734   0.734    30.381    0.000    0.000
LGA    Q    98_A      Q    98_A    28.987     0    0.105   0.421    30.405    0.000    0.000
LGA    P    99_A      P    99_A    28.048     0    0.057   0.286    28.779    0.000    0.000
LGA    G   100_A      G   100_A    27.934     0    0.629   0.629    30.033    0.000    0.000
LGA    L   101_A      L   101_A    27.736     0    0.115   0.178    30.369    0.000    0.000
LGA    P   102_A      P   102_A    28.076     0    0.044   0.395    30.799    0.000    0.000
LGA    E   103_A      E   103_A    26.160     0    0.140   0.859    29.962    0.000    0.000
LGA    N   104_A      N   104_A    21.814     0    0.194   1.369    23.643    0.000    0.000
LGA    Q   105_A      Q   105_A    20.523     0    0.087   0.811    21.521    0.000    0.000
LGA    V   106_A      V   106_A    20.098     0    0.082   1.102    23.427    0.000    0.000
LGA    H   107_A      H   107_A    17.405     0    0.383   1.221    18.559    0.000    0.000
LGA    I   108_A      I   108_A    15.967     0    0.589   1.490    15.967    0.000    0.000
LGA    F   109_A      F   109_A    16.042     0    0.675   1.080    18.145    0.000    0.000
LGA    D   110_A      D   110_A    19.017     0    0.236   1.420    22.900    0.000    0.000
LGA    F   111_A      F   111_A    25.182     0    0.090   1.214    28.506    0.000    0.000
LGA    E   112_A      E   112_A    30.859     0    0.362   1.253    35.995    0.000    0.000
LGA    D   113_A      D   113_A    35.040     0    0.740   1.243    37.406    0.000    0.000
LGA    K   114_A      K   114_A    37.595     0    0.611   1.278    43.212    0.000    0.000
LGA    Y   115_A      Y   115_A    34.444     0    0.512   1.136    40.891    0.000    0.000
LGA    V   116_A      V   116_A    30.063     0    0.675   0.663    31.632    0.000    0.000
LGA    D   117_A      D   117_A    29.516     0    0.482   1.592    33.064    0.000    0.000
LGA    I   118_A      I   118_A    27.283     0    0.086   0.695    27.534    0.000    0.000
LGA    T   119_A      T   119_A    26.703     0    0.407   1.219    30.910    0.000    0.000
LGA    P   120_A      P   120_A    22.537     0    0.774   0.729    25.982    0.000    0.000
LGA    E   121_A      E   121_A    29.590     0    0.228   1.359    36.089    0.000    0.000
LGA    E   122_A      E   122_A    32.718     0    0.042   0.772    36.733    0.000    0.000
LGA    Q   123_A      Q   123_A    28.446     0    0.049   1.330    30.256    0.000    0.000
LGA    R   124_A      R   124_A    28.811     0    0.065   1.708    32.660    0.000    0.000
LGA    K   125_A      K   125_A    36.038     0    0.053   0.775    46.173    0.000    0.000
LGA    F   126_A      F   126_A    37.618     0    0.039   1.437    41.747    0.000    0.000
LGA    H   127_A      H   127_A    33.722     0    0.030   0.340    35.903    0.000    0.000
LGA    S   128_A      S   128_A    36.739     0    0.031   0.642    40.325    0.000    0.000
LGA    Q   129_A      Q   129_A    43.365     0    0.046   1.313    48.292    0.000    0.000
LGA    W   130_A      W   130_A    41.771     0    0.040   0.184    42.937    0.000    0.000
LGA    F   131_A      F   131_A    39.011     0    0.055   1.441    42.073    0.000    0.000
LGA    E   132_A      E   132_A    44.953     0    0.106   1.342    48.408    0.000    0.000
LGA    S   133_A      S   133_A    49.202     0    0.173   0.739    50.940    0.000    0.000
LGA    L   134_A      L   134_A    46.995     0    0.137   0.808    48.058    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):    17.552         17.580                 17.929           18.224   14.590

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     34    2.70    24.053    20.823     1.216

LGA_LOCAL      RMSD:   2.696  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.993  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  17.552  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.067026 * X  +   0.130301 * Y  +  -0.989206 * Z  + -16.145336
  Y_new =   0.963169 * X  +   0.250310 * Y  +   0.098234 * Z  + -13.649513
  Z_new =   0.260408 * X  +  -0.959357 * Y  +  -0.108724 * Z  +  -5.955505 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.501319 -0.263445 -1.683645   [DEG:   86.0192  -15.0943  -96.4658 ]
ZXZ: -1.669777  1.679736  2.876539   [DEG:  -95.6712   96.2418  164.8135 ]
 
# END of job
