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

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

# Molecule1: number of CA atoms  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       9_A - 61_A        5.00    30.37
  LCS_AVERAGE:     26.56

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      57_A - 80_A        1.88    25.92
  LONGEST_CONTINUOUS_SEGMENT:    24     108_A - 131_A       1.96    29.63
  LCS_AVERAGE:     12.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      29_A - 44_A        0.95    27.20
  LONGEST_CONTINUOUS_SEGMENT:    16      62_A - 77_A        0.85    24.62
  LCS_AVERAGE:      7.36

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      3    3   36      0    0    3    3    4    8    9   24   26   28   30   32   37   47   50   56   58   61   62   64 
LCS_GDT     S     2_A     S     2_A      4    4   36      4    4    4    4    4    6    8   16   23   27   30   32   35   38   48   51   54   58   61   64 
LCS_GDT     R     3_A     R     3_A      4   20   42      4    4    4    4    5   11   20   25   26   28   30   32   35   38   43   49   58   61   63   65 
LCS_GDT     I     4_A     I     4_A      8   21   50      4    4    4   10   16   20   24   25   26   31   36   41   48   53   57   59   61   62   64   65 
LCS_GDT     D     5_A     D     5_A     13   21   50      7    8   13   16   19   22   24   25   26   31   36   40   46   52   56   59   61   62   64   65 
LCS_GDT     E     6_A     E     6_A     13   21   51      7    8   13   16   19   22   24   25   26   31   36   43   48   53   57   59   61   62   64   65 
LCS_GDT     K     7_A     K     7_A     13   21   52      7    8   13   16   19   22   24   25   26   33   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     S     8_A     S     8_A     13   21   52      7    9   14   16   19   22   24   25   26   33   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     S     9_A     S     9_A     13   21   53      7    8   13   16   19   22   24   25   26   33   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    10_A     K    10_A     15   21   53      7   11   14   16   19   22   24   25   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     A    11_A     A    11_A     15   21   53      8   12   14   16   19   22   24   26   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    12_A     K    12_A     15   21   53      4   12   14   16   19   22   24   26   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     V    13_A     V    13_A     15   21   53      8   12   14   16   19   22   24   26   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     N    14_A     N    14_A     15   21   53      8   12   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     D    15_A     D    15_A     15   21   53      8   12   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     F    16_A     F    16_A     15   21   53      5   12   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     L    17_A     L    17_A     15   21   53      6   10   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     A    18_A     A    18_A     15   21   53      7   12   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     E    19_A     E    19_A     15   21   53      8   12   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     I    20_A     I    20_A     15   21   53      8   12   14   16   19   22   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     F    21_A     F    21_A     15   21   53      8   12   14   16   19   22   24   27   30   33   37   44   51   53   57   59   61   62   64   65 
LCS_GDT     K    22_A     K    22_A     15   21   53      7   12   14   16   19   22   24   27   30   34   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    23_A     K    23_A     15   21   53      8   12   14   21   23   24   25   26   28   33   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     I    24_A     I    24_A     15   21   53      4   10   14   16   19   24   25   26   27   33   37   44   50   53   57   59   61   62   64   65 
LCS_GDT     G    25_A     G    25_A      6   19   53      4    6    8    9   15   19   23   25   27   31   35   37   43   53   56   58   61   62   64   65 
LCS_GDT     S    26_A     S    26_A      6   19   53      5    6    8   12   16   18   23   27   31   35   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    27_A     K    27_A      6   19   53      5    8   13   15   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     E    28_A     E    28_A      6   19   53      5    6    8   12   16   18   26   27   31   36   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     N    29_A     N    29_A     16   19   53      5   11   14   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     T    30_A     T    30_A     16   19   53      5   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    31_A     K    31_A     16   19   53      9   13   15   16   17   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     E    32_A     E    32_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     G    33_A     G    33_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     L    34_A     L    34_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     A    35_A     A    35_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     E    36_A     E    36_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     L    37_A     L    37_A     16   19   53      8   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     Y    38_A     Y    38_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     E    39_A     E    39_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     Y    40_A     Y    40_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    41_A     K    41_A     16   19   53      4   13   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    42_A     K    42_A     16   19   53      9   13   15   16   18   20   26   27   31   36   39   44   51   53   57   59   61   62   64   65 
LCS_GDT     K    43_A     K    43_A     16   19   53      4   10   15   16   18   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     Y    44_A     Y    44_A     16   19   53      4   10   15   16   17   20   26   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     S    45_A     S    45_A      4   19   53      3    4    5   11   16   20   24   27   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     D    46_A     D    46_A     11   17   53      3    8   10   11   12   12   14   17   20   27   31   42   46   50   54   57   60   62   64   65 
LCS_GDT     A    47_A     A    47_A     11   13   53      3    5    9   11   13   15   19   24   31   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     D    48_A     D    48_A     11   13   53      3    8   10   11   12   15   19   23   27   32   39   44   51   53   57   59   61   62   64   65 
LCS_GDT     I    49_A     I    49_A     11   13   53      3    8   10   11   12   15   19   23   29   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     E    50_A     E    50_A     11   13   53      5    8   10   11   12   12   17   23   28   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     P    51_A     P    51_A     11   13   53      5    8   10   11   12   15   17   23   26   33   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     F    52_A     F    52_A     11   13   53      5    8   10   11   12   12   19   23   30   36   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     L    53_A     L    53_A     11   13   53      5    8   10   11   12   12   14   14   21   29   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     K    54_A     K    54_A     11   13   53      5    8   10   11   14   19   22   25   28   31   33   40   47   53   57   59   61   62   64   65 
LCS_GDT     N    55_A     N    55_A     11   13   53      4    8   10   11   12   19   21   24   25   31   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     S    56_A     S    56_A     11   22   53      3    8   10   11   16   21   24   25   28   31   37   45   51   53   57   59   61   62   64   65 
LCS_GDT     S    57_A     S    57_A     12   24   53      4    8   12   18   23   24   25   26   28   29   31   33   34   39   52   54   57   60   63   65 
LCS_GDT     Q    58_A     Q    58_A     12   24   53      4    9   12   20   23   24   25   26   28   31   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     F    59_A     F    59_A     13   24   53      4   10   16   21   23   24   25   26   28   29   31   41   47   53   56   59   61   62   64   65 
LCS_GDT     F    60_A     F    60_A     13   24   53      4   10   16   21   23   24   25   26   28   34   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     Q    61_A     Q    61_A     13   24   53      3   10   17   21   23   24   25   26   30   34   39   45   51   53   57   59   61   62   64   65 
LCS_GDT     S    62_A     S    62_A     16   24   37      4   10   17   21   23   24   25   27   29   33   37   42   47   53   56   58   61   62   64   65 
LCS_GDT     Y    63_A     Y    63_A     16   24   33      4   10   17   21   23   24   25   26   28   30   35   40   44   51   55   58   60   62   63   65 
LCS_GDT     V    64_A     V    64_A     16   24   33      5   14   17   21   23   24   25   26   28   31   35   40   44   51   55   58   61   62   64   65 
LCS_GDT     E    65_A     E    65_A     16   24   33      5   14   17   21   23   24   25   26   28   29   31   33   37   43   49   56   58   60   62   65 
LCS_GDT     R    66_A     R    66_A     16   24   33      5   14   17   21   23   24   25   26   28   29   31   33   37   45   49   52   55   59   61   64 
LCS_GDT     G    67_A     G    67_A     16   24   33      5   14   17   21   23   24   25   26   28   29   31   33   37   38   44   51   54   57   59   63 
LCS_GDT     L    68_A     L    68_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   36   37   40   45   54   55   59 
LCS_GDT     R    69_A     R    69_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   40   41   47   54   57 
LCS_GDT     V    70_A     V    70_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   41   46   52   57 
LCS_GDT     I    71_A     I    71_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   41   43   46   51 
LCS_GDT     E    72_A     E    72_A     16   24   33      4   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     M    73_A     M    73_A     16   24   33      5   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     E    74_A     E    74_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     R    75_A     R    75_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   39   43   45   49 
LCS_GDT     E    76_A     E    76_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   39   42   45   49 
LCS_GDT     G    77_A     G    77_A     16   24   33      6   14   17   21   23   24   25   26   28   29   31   33   34   35   36   38   39   42   45   49 
LCS_GDT     K    78_A     K    78_A      4   24   33      3    4    5   14   15   19   22   26   28   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     G    79_A     G    79_A      4   24   33      3    4    5   15   21   24   25   26   28   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     R    80_A     R    80_A      4   24   33      3    4   12   21   23   24   25   26   28   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     I    81_A     I    81_A      4    8   33      3    4    5    6    8   10   16   23   27   29   31   33   34   35   36   38   41   43   45   49 
LCS_GDT     S    82_A     S    82_A      4    8   33      3    3    5    7    8   10   13   16   22   27   30   31   33   34   35   37   40   41   45   47 
LCS_GDT     T    83_A     T    83_A      4    8   33      3    4    5    7    8   10   13   16   20   26   29   30   33   34   35   37   40   41   43   45 
LCS_GDT     S    84_A     S    84_A      4    8   32      3    4    5    7    8   10   11   11   13   14   15   18   19   23   25   30   31   34   35   40 
LCS_GDT     T    85_A     T    85_A      4    8   19      3    4    5    6    8   10   11   11   13   14   15   17   18   20   22   26   28   31   33   36 
LCS_GDT     G    86_A     G    86_A      4    8   18      3    4    5    7    8   10   11   11   13   14   15   17   18   20   22   26   28   31   33   36 
LCS_GDT     I    87_A     I    87_A      4    7   18      3    4    4    5    7    8    9   10   13   14   15   17   18   20   22   26   28   31   33   36 
LCS_GDT     S    88_A     S    88_A      4    7   18      3    4    4    4    7    8    9   10   11   14   15   17   18   20   22   26   28   31   33   36 
LCS_GDT     P    89_A     P    89_A      4    7   18      3    4    4    4    7    8    9    9   11   12   14   17   17   19   21   24   28   30   33   36 
LCS_GDT     Q    90_A     Q    90_A      4    6   18      0    4    4    4    7    8    9    9   11   13   15   17   18   20   22   26   28   31   33   36 
LCS_GDT     M    91_A     M    91_A      3    5   15      0    3    3    4    6    8    9   10   11   12   12   13   18   18   19   20   22   24   26   29 
LCS_GDT     E    92_A     E    92_A      3    5   15      2    3    3    4    5    6    7    9   11   12   12   13   15   16   19   20   21   22   25   27 
LCS_GDT     V    93_A     V    93_A      3    6   15      2    3    4    4    5    7    7    9   11   13   15   16   17   18   20   20   21   22   25   25 
LCS_GDT     T    94_A     T    94_A      3    6   15      0    3    4    4    6    7    7    9   11   12   12   13   15   16   18   19   21   22   25   25 
LCS_GDT     C    95_A     C    95_A      3    6   15      3    3    4    4    5    6    7    9   11   12   12   13   13   15   15   17   18   20   20   21 
LCS_GDT     V    96_A     V    96_A      4    6   15      3    3    4    5    6    7    7    9   11   12   12   13   15   16   17   18   19   21   23   24 
LCS_GDT     P    97_A     P    97_A      4    6   15      3    3    4    5    6    7    7    8   10   11   12   14   16   18   20   21   21   23   25   27 
LCS_GDT     T    98_A     T    98_A      4    6   15      3    3    4    5    6    8    9   10   13   14   15   16   18   18   20   21   22   24   26   29 
LCS_GDT     P    99_A     P    99_A      4    5   15      2    3    4    5    6    8    9   10   13   14   15   17   18   19   22   26   28   31   33   36 
LCS_GDT     T   100_A     T   100_A      3    5   15      3    3    4    5    7    8    9   10   13   14   15   17   18   19   22   26   28   31   33   36 
LCS_GDT     S   101_A     S   101_A      3    4   15      3    3    4    5    7    8    9   10   13   14   15   17   18   20   22   26   28   31   33   36 
LCS_GDT     T   102_A     T   102_A      4    4   15      3    4    5    5    7    8    9   10   12   13   15   16   18   20   22   26   28   31   33   36 
LCS_GDT     V   103_A     V   103_A      4    4   15      3    4    4    4    5    8    9   10   13   14   15   16   18   20   22   26   28   31   33   36 
LCS_GDT     S   104_A     S   104_A      4    4   30      3    4    4    4    4    8    9   10   13   14   15   16   18   20   22   26   28   31   33   38 
LCS_GDT     S   105_A     S   105_A      4    5   30      3    4    4    5    7    8    9   10   14   23   27   29   30   33   33   34   34   35   36   39 
LCS_GDT     I   106_A     I   106_A      3    8   30      3    3    4    5    7   10   10   11   13   14   15   25   30   31   33   34   34   35   36   39 
LCS_GDT     G   107_A     G   107_A      3    9   30      4    5    6    7   19   23   24   26   27   28   29   30   30   33   33   34   34   35   38   41 
LCS_GDT     N   108_A     N   108_A      5   24   30      4    5    6   15   19   23   24   26   27   28   29   30   30   33   33   34   34   35   36   41 
LCS_GDT     T   109_A     T   109_A      5   24   30      4    5    8   17   22   23   24   26   27   28   29   30   30   33   33   34   34   39   41   43 
LCS_GDT     N   110_A     N   110_A      5   24   30      1    4    5   10   15   21   24   25   27   28   29   30   30   33   33   34   34   35   41   43 
LCS_GDT     G   111_A     G   111_A      5   24   30      0    4    6   12   22   23   24   26   27   28   29   30   30   33   33   34   34   39   42   43 
LCS_GDT     E   112_A     E   112_A      5   24   30      4    6   11   16   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   43 
LCS_GDT     E   113_A     E   113_A      4   24   30      1    8   11   16   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   43 
LCS_GDT     V   114_A     V   114_A      3   24   30      1    3   16   17   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   43 
LCS_GDT     G   115_A     G   115_A      3   24   30      3   12   15   17   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   43 
LCS_GDT     P   116_A     P   116_A     15   24   30      6   10   13   17   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   43 
LCS_GDT     S   117_A     S   117_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   43 
LCS_GDT     V   118_A     V   118_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   33   34   36   39   42   45 
LCS_GDT     Y   119_A     Y   119_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   33   36   38   40   42   45 
LCS_GDT     L   120_A     L   120_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   33   36   38   40   42   48 
LCS_GDT     E   121_A     E   121_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   33   38   42   46   56   57 
LCS_GDT     R   122_A     R   122_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   36   44   47   50   55   60   63 
LCS_GDT     L   123_A     L   123_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   33   38   42   53   56   60 
LCS_GDT     K   124_A     K   124_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   32   37   44   47   53   58   61   63 
LCS_GDT     I   125_A     I   125_A     15   24   30      6   12   16   17   22   23   24   26   27   31   35   39   48   53   57   59   61   62   64   65 
LCS_GDT     L   126_A     L   126_A     15   24   30      4   12   16   17   22   23   24   26   27   31   33   39   48   53   57   59   61   62   64   65 
LCS_GDT     R   127_A     R   127_A     15   24   30      6   12   16   17   22   23   24   26   27   28   29   30   30   33   44   52   57   59   64   65 
LCS_GDT     Q   128_A     Q   128_A     15   24   30      5   12   16   17   22   23   24   26   30   36   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     R   129_A     R   129_A     15   24   30      5   12   16   17   22   23   26   27   31   36   38   45   51   53   57   59   61   62   64   65 
LCS_GDT     C   130_A     C   130_A     15   24   30      5   12   16   17   22   23   24   26   27   28   29   31   32   35   42   43   45   50   60   63 
LCS_GDT     G   131_A     G   131_A     15   24   30      5   12   16   17   22   23   24   26   27   28   29   31   32   37   42   43   47   52   60   63 
LCS_GDT     L   132_A     L   132_A      4   19   30      2    4    4    6   11   14   20   24   25   26   26   27   33   37   43   47   52   55   60   65 
LCS_GDT     D   133_A     D   133_A      4    5   30      3    4    4    4    5    5    6    9   11   16   19   24   30   30   38   40   47   52   58   61 
LCS_GDT     N   134_A     N   134_A      4    5   30      3    4    4    4    5    6    6    9   11   15   19   22   30   30   33   37   45   50   53   56 
LCS_GDT     T   135_A     T   135_A      4    5   29      3    4    4    5    6    7    8   12   15   16   19   22   25   29   31   34   41   43   46   46 
LCS_GDT     K   136_A     K   136_A      3    3   23      2    3    3    5    6    7    8    9   11   15   18   22   25   29   31   34   36   39   46   46 
LCS_GDT     Q   137_A     Q   137_A      5    5   11      3    4    5    5    5    7    8    8   11   13   16   22   24   27   30   34   36   39   42   42 
LCS_GDT     D   138_A     D   138_A      5    5   11      3    4    5    5    5    5    5    7    8    9   10   10   11   13   13   20   23   35   36   40 
LCS_GDT     D   139_A     D   139_A      5    5   11      3    4    5    5    5    5    5    6    8    9   10   10   11   11   12   12   13   27   28   28 
LCS_GDT     R   140_A     R   140_A      5    5   11      3    4    5    5    5    5    5    6    8    9   10   10   11   11   12   17   20   30   34   41 
LCS_GDT     P   141_A     P   141_A      5    5   11      3    3    5    5    5    5    6    8    8    9   16   20   22   23   28   31   34   37   38   42 
LCS_AVERAGE  LCS_A:  15.34  (   7.36   12.10   26.56 )

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      9     14     17     21     23     24     26     27     31     36     39     45     51     53     57     59     61     62     64     65 
GDT PERCENT_AT   6.38   9.93  12.06  14.89  16.31  17.02  18.44  19.15  21.99  25.53  27.66  31.91  36.17  37.59  40.43  41.84  43.26  43.97  45.39  46.10
GDT RMS_LOCAL    0.30   0.68   1.03   1.25   1.43   1.55   2.35   2.43   2.97   3.59   4.00   4.44   4.69   4.83   5.14   5.29   5.45   5.51   5.76   5.84
GDT RMS_ALL_AT  27.62  24.64  24.75  25.17  25.28  25.54  29.67  29.66  29.97  29.86  30.12  30.02  30.05  29.88  29.56  29.37  29.39  29.43  29.28  29.40

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  D   138_A      D   138_A
#   possible swapping detected:  D   139_A      D   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    21.491     0    0.663   0.614    23.854    0.000    0.000
LGA    S     2_A      S     2_A    23.116     0    0.612   0.789    25.417    0.000    0.000
LGA    R     3_A      R     3_A    20.235     0    0.053   1.703    29.025    0.000    0.000
LGA    I     4_A      I     4_A    14.497     0    0.037   0.082    16.706    0.000    0.000
LGA    D     5_A      D     5_A    14.797     0    0.145   1.034    15.685    0.000    0.000
LGA    E     6_A      E     6_A    13.529     0    0.304   0.986    17.347    0.000    0.000
LGA    K     7_A      K     7_A    11.689     0    0.120   0.892    16.791    0.357    0.159
LGA    S     8_A      S     8_A    10.304     0    0.045   0.649    11.095    1.310    0.952
LGA    S     9_A      S     9_A     9.793     0    0.025   0.730    10.900    2.619    1.825
LGA    K    10_A      K    10_A     7.534     0    0.138   0.585     8.788   10.119    7.249
LGA    A    11_A      A    11_A     6.456     0    0.054   0.054     6.982   19.524   18.286
LGA    K    12_A      K    12_A     5.934     0    0.039   0.866    11.455   24.048   13.016
LGA    V    13_A      V    13_A     5.573     0    0.071   0.896     7.518   30.833   24.830
LGA    N    14_A      N    14_A     2.776     0    0.075   1.105     5.390   61.667   56.607
LGA    D    15_A      D    15_A     2.071     0    0.063   1.087     5.534   73.214   53.452
LGA    F    16_A      F    16_A     2.909     0    0.074   1.129     4.027   57.143   68.831
LGA    L    17_A      L    17_A     3.174     0    0.066   0.149     4.959   53.571   44.702
LGA    A    18_A      A    18_A     1.731     0    0.077   0.074     2.771   68.929   71.429
LGA    E    19_A      E    19_A     1.634     0    0.022   0.878     3.046   67.262   73.439
LGA    I    20_A      I    20_A     3.490     0    0.027   0.124     5.035   42.619   41.548
LGA    F    21_A      F    21_A     5.169     0    0.040   0.394     6.496   26.667   23.463
LGA    K    22_A      K    22_A     5.505     0    0.085   0.817     8.618   20.000   18.254
LGA    K    23_A      K    23_A     6.117     0    0.145   0.642     8.250   14.524   22.857
LGA    I    24_A      I    24_A     7.088     0    0.063   0.088    12.581   13.452    6.964
LGA    G    25_A      G    25_A     8.439     0    0.610   0.610     8.439    6.667    6.667
LGA    S    26_A      S    26_A     5.068     0    0.111   0.646     7.139   33.571   28.413
LGA    K    27_A      K    27_A     1.880     0    0.046   1.026     5.126   66.905   60.000
LGA    E    28_A      E    28_A     3.315     0    0.022   0.931     9.793   55.357   30.899
LGA    N    29_A      N    29_A     1.932     0    0.287   1.067     5.241   66.786   57.202
LGA    T    30_A      T    30_A     3.425     0    0.040   0.705     6.124   53.571   40.816
LGA    K    31_A      K    31_A     2.882     0    0.032   1.117     9.782   60.952   37.302
LGA    E    32_A      E    32_A     0.958     0    0.040   0.903     1.800   88.214   84.550
LGA    G    33_A      G    33_A     1.596     0    0.035   0.035     1.657   75.000   75.000
LGA    L    34_A      L    34_A     2.357     0    0.033   1.408     5.184   66.786   63.214
LGA    A    35_A      A    35_A     1.839     0    0.035   0.036     1.863   75.000   74.571
LGA    E    36_A      E    36_A     0.625     0    0.025   0.085     0.921   90.476   92.593
LGA    L    37_A      L    37_A     1.525     0    0.062   1.448     4.923   79.286   64.345
LGA    Y    38_A      Y    38_A     1.769     0    0.039   0.280     4.254   77.143   59.286
LGA    E    39_A      E    39_A     1.209     0    0.065   0.896     2.997   85.952   77.884
LGA    Y    40_A      Y    40_A     0.777     0    0.057   0.131     4.041   90.595   68.135
LGA    K    41_A      K    41_A     1.833     0    0.083   1.407     8.155   77.143   48.677
LGA    K    42_A      K    42_A     1.589     0    0.051   0.626     5.676   77.262   54.286
LGA    K    43_A      K    43_A     3.361     0    0.092   0.633     6.561   52.024   36.508
LGA    Y    44_A      Y    44_A     3.326     0    0.412   0.294     4.552   53.571   45.317
LGA    S    45_A      S    45_A     3.722     0    0.382   0.364     6.444   32.500   36.190
LGA    D    46_A      D    46_A     7.197     0    0.378   1.176     9.856   15.476    9.286
LGA    A    47_A      A    47_A     7.297     0    0.165   0.190     8.260    8.810    8.000
LGA    D    48_A      D    48_A     8.128     0    0.071   1.027    12.590    6.548    3.631
LGA    I    49_A      I    49_A     7.482     0    0.054   0.093     9.002    7.381    6.012
LGA    E    50_A      E    50_A     9.558     0    0.053   0.834    13.879    1.429    0.635
LGA    P    51_A      P    51_A    10.773     0    0.069   0.549    11.487    0.000    0.000
LGA    F    52_A      F    52_A     8.590     0    0.050   1.295    13.686    3.452    1.775
LGA    L    53_A      L    53_A     9.201     0    0.048   1.068    10.505    1.071    1.548
LGA    K    54_A      K    54_A    12.296     0    0.038   0.620    16.070    0.000    0.000
LGA    N    55_A      N    55_A    11.051     0    0.047   0.102    13.293    0.000    0.000
LGA    S    56_A      S    56_A     9.445     0    0.564   0.728    10.247    0.595    0.635
LGA    S    57_A      S    57_A    12.454     0    0.588   0.585    16.256    0.714    0.476
LGA    Q    58_A      Q    58_A     8.819     0    0.036   0.921    11.918    9.405    4.392
LGA    F    59_A      F    59_A     7.487     0    0.104   1.216    13.108   10.119    3.766
LGA    F    60_A      F    60_A     6.035     0    0.109   1.438     6.893   22.024   20.996
LGA    Q    61_A      Q    61_A     6.257     0    0.094   1.158    10.681   15.714    7.937
LGA    S    62_A      S    62_A     7.310     0    0.645   0.989     9.398    9.405   10.159
LGA    Y    63_A      Y    63_A     9.809     0    0.063   1.501    15.909    1.310    0.516
LGA    V    64_A      V    64_A     9.495     0    0.042   0.184    12.860    1.071    2.041
LGA    E    65_A      E    65_A    12.928     0    0.064   1.223    16.235    0.000    0.000
LGA    R    66_A      R    66_A    15.226     0    0.072   0.798    18.512    0.000    0.000
LGA    G    67_A      G    67_A    16.690     0    0.048   0.048    19.670    0.000    0.000
LGA    L    68_A      L    68_A    18.668     0    0.089   0.120    22.524    0.000    0.000
LGA    R    69_A      R    69_A    22.884     0    0.058   1.490    26.249    0.000    0.000
LGA    V    70_A      V    70_A    25.129     0    0.057   1.299    27.923    0.000    0.000
LGA    I    71_A      I    71_A    25.801     0    0.046   1.504    28.835    0.000    0.000
LGA    E    72_A      E    72_A    28.579     0    0.044   1.018    32.129    0.000    0.000
LGA    M    73_A      M    73_A    32.041     0    0.088   1.147    35.558    0.000    0.000
LGA    E    74_A      E    74_A    33.562     0    0.084   1.308    36.557    0.000    0.000
LGA    R    75_A      R    75_A    34.925     0    0.048   1.238    39.199    0.000    0.000
LGA    E    76_A      E    76_A    39.406     0    0.069   1.011    43.137    0.000    0.000
LGA    G    77_A      G    77_A    42.318     0    0.548   0.548    43.035    0.000    0.000
LGA    K    78_A      K    78_A    44.399     0    0.286   1.263    45.429    0.000    0.000
LGA    G    79_A      G    79_A    46.034     0    0.028   0.028    46.034    0.000    0.000
LGA    R    80_A      R    80_A    40.163     0    0.225   1.377    41.841    0.000    0.000
LGA    I    81_A      I    81_A    39.641     0    0.050   0.086    42.089    0.000    0.000
LGA    S    82_A      S    82_A    46.947     0    0.182   0.774    48.080    0.000    0.000
LGA    T    83_A      T    83_A    50.584     0    0.241   0.935    53.488    0.000    0.000
LGA    S    84_A      S    84_A    53.820     0    0.132   0.615    54.495    0.000    0.000
LGA    T    85_A      T    85_A    55.033     0    0.038   0.050    58.150    0.000    0.000
LGA    G    86_A      G    86_A    55.520     0    0.253   0.253    57.115    0.000    0.000
LGA    I    87_A      I    87_A    54.400     0    0.296   1.373    54.667    0.000    0.000
LGA    S    88_A      S    88_A    54.330     0    0.115   0.580    57.650    0.000    0.000
LGA    P    89_A      P    89_A    57.244     0    0.665   0.988    61.250    0.000    0.000
LGA    Q    90_A      Q    90_A    61.097     0    0.600   1.409    66.895    0.000    0.000
LGA    M    91_A      M    91_A    58.636     0    0.553   1.116    59.472    0.000    0.000
LGA    E    92_A      E    92_A    58.494     0    0.300   0.317    61.171    0.000    0.000
LGA    V    93_A      V    93_A    58.214     0    0.602   1.010    60.602    0.000    0.000
LGA    T    94_A      T    94_A    59.104     0    0.661   1.386    59.789    0.000    0.000
LGA    C    95_A      C    95_A    60.831     0    0.076   0.832    63.099    0.000    0.000
LGA    V    96_A      V    96_A    55.092     0    0.189   1.245    57.151    0.000    0.000
LGA    P    97_A      P    97_A    51.423     0    0.049   0.593    52.294    0.000    0.000
LGA    T    98_A      T    98_A    54.734     0    0.214   0.961    58.917    0.000    0.000
LGA    P    99_A      P    99_A    54.477     0    0.349   0.861    58.612    0.000    0.000
LGA    T   100_A      T   100_A    50.625     0    0.173   1.154    51.462    0.000    0.000
LGA    S   101_A      S   101_A    47.191     0    0.330   0.654    48.165    0.000    0.000
LGA    T   102_A      T   102_A    47.798     0    0.627   0.872    50.301    0.000    0.000
LGA    V   103_A      V   103_A    48.271     0    0.046   0.076    49.700    0.000    0.000
LGA    S   104_A      S   104_A    51.499     0    0.461   0.503    54.869    0.000    0.000
LGA    S   105_A      S   105_A    47.803     0    0.670   0.814    49.039    0.000    0.000
LGA    I   106_A      I   106_A    45.475     0    0.622   0.998    46.129    0.000    0.000
LGA    G   107_A      G   107_A    46.272     0    0.459   0.459    48.535    0.000    0.000
LGA    N   108_A      N   108_A    45.397     0    0.454   0.572    48.827    0.000    0.000
LGA    T   109_A      T   109_A    42.509     0    0.708   0.665    44.537    0.000    0.000
LGA    N   110_A      N   110_A    45.339     0    0.114   0.098    48.282    0.000    0.000
LGA    G   111_A      G   111_A    42.761     0    0.656   0.656    44.434    0.000    0.000
LGA    E   112_A      E   112_A    37.888     0    0.501   0.970    39.727    0.000    0.000
LGA    E   113_A      E   113_A    42.876     0    0.652   1.099    50.043    0.000    0.000
LGA    V   114_A      V   114_A    40.350     0    0.591   0.518    44.139    0.000    0.000
LGA    G   115_A      G   115_A    36.338     0    0.550   0.550    37.954    0.000    0.000
LGA    P   116_A      P   116_A    32.100     0    0.473   0.549    35.589    0.000    0.000
LGA    S   117_A      S   117_A    30.973     0    0.099   0.686    33.031    0.000    0.000
LGA    V   118_A      V   118_A    25.305     0    0.045   0.856    27.817    0.000    0.000
LGA    Y   119_A      Y   119_A    23.402     0    0.075   0.137    26.280    0.000    0.000
LGA    L   120_A      L   120_A    24.849     0    0.055   1.415    29.890    0.000    0.000
LGA    E   121_A      E   121_A    21.196     0    0.041   0.928    24.556    0.000    0.000
LGA    R   122_A      R   122_A    16.181     0    0.071   1.530    22.776    0.000    0.000
LGA    L   123_A      L   123_A    16.743     0    0.045   0.152    21.742    0.000    0.000
LGA    K   124_A      K   124_A    15.682     0    0.060   0.927    17.090    0.000    0.000
LGA    I   125_A      I   125_A    10.862     0    0.042   0.032    14.840    3.214    1.667
LGA    L   126_A      L   126_A     8.557     0    0.060   1.434    11.089    3.333    1.667
LGA    R   127_A      R   127_A    11.314     0    0.084   1.252    22.671    0.714    0.260
LGA    Q   128_A      Q   128_A     6.548     0    0.057   0.940    11.664   23.214   12.434
LGA    R   129_A      R   129_A     3.230     0    0.048   0.821     8.388   32.619   30.433
LGA    C   130_A      C   130_A     9.434     0    0.060   0.055    11.449    2.976    1.984
LGA    G   131_A      G   131_A     9.078     0    0.556   0.556     9.078    2.976    2.976
LGA    L   132_A      L   132_A     8.820     0    0.656   0.659    12.455    1.429    6.429
LGA    D   133_A      D   133_A    15.007     0    0.279   0.903    18.596    0.000    0.000
LGA    N   134_A      N   134_A    17.655     0    0.581   1.008    21.034    0.000    0.000
LGA    T   135_A      T   135_A    22.945     0    0.635   1.380    25.401    0.000    0.000
LGA    K   136_A      K   136_A    25.709     0    0.593   1.302    29.320    0.000    0.000
LGA    Q   137_A      Q   137_A    31.611     0    0.606   0.551    33.870    0.000    0.000
LGA    D   138_A      D   138_A    33.509     0    0.164   0.233    35.085    0.000    0.000
LGA    D   139_A      D   139_A    35.926     0    0.597   1.381    38.158    0.000    0.000
LGA    R   140_A      R   140_A    38.380     0    0.404   1.671    46.197    0.000    0.000
LGA    P   141_A      P   141_A    36.688     0    0.148   0.461    39.628    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    19.451         19.388                 19.567           15.160   12.974

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     27    2.43    21.454    19.198     1.067

LGA_LOCAL      RMSD:   2.431  Number of atoms:   27  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.660  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  19.451  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.183524 * X  +  -0.975472 * Y  +  -0.121542 * Z  + 138.961334
  Y_new =   0.977574 * X  +  -0.168117 * Y  +  -0.126826 * Z  + -72.904167
  Z_new =   0.103282 * X  +  -0.142092 * Y  +   0.984451 * Z  + -126.272514 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.756370 -0.103466 -0.143346   [DEG:  100.6326   -5.9282   -8.2131 ]
ZXZ: -0.764127  0.176578  2.513062   [DEG:  -43.7812   10.1172  143.9879 ]
 
# END of job
