
#######################################################
#                                                     #
#                        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:    52      10_A - 61_A        4.97    31.30
  LCS_AVERAGE:     26.40

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      57_A - 80_A        1.96    25.54
  LCS_AVERAGE:     11.03

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      29_A - 45_A        0.93    29.78
  LCS_AVERAGE:      7.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      3    5   29      0    3    3    3    4    7    8   11   16   28   31   33   38   45   52   58   61   62   63   65 
LCS_GDT     S     2_A     S     2_A      4    5   29      4    4    4    4    8   11   16   19   23   28   31   33   36   39   47   51   58   62   63   65 
LCS_GDT     R     3_A     R     3_A      4   20   31      4    4    7   10   13   15   21   22   24   28   31   33   36   39   42   50   56   62   63   65 
LCS_GDT     I     4_A     I     4_A     11   20   42      4    4    7   11   16   19   21   22   24   28   31   40   47   53   59   59   61   62   63   65 
LCS_GDT     D     5_A     D     5_A     14   20   43      6   10   13   15   18   19   21   22   24   28   31   40   47   53   59   59   61   62   63   65 
LCS_GDT     E     6_A     E     6_A     14   20   48      6   10   13   16   18   19   21   22   24   28   31   40   47   53   59   59   61   62   63   65 
LCS_GDT     K     7_A     K     7_A     14   20   50      6   10   13   16   18   19   21   22   24   28   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     S     8_A     S     8_A     14   20   50      6   11   13   16   18   19   21   22   24   34   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     S     9_A     S     9_A     14   20   50      6   10   13   16   18   19   21   22   24   28   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    10_A     K    10_A     14   20   52      6   11   13   16   18   19   21   22   30   35   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     A    11_A     A    11_A     14   20   52      5   11   13   16   18   19   21   24   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    12_A     K    12_A     14   20   52      6   11   13   16   18   19   21   26   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     V    13_A     V    13_A     14   20   52      6   11   13   16   18   19   21   26   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     N    14_A     N    14_A     14   20   52      6   11   13   16   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     D    15_A     D    15_A     14   20   52      6   11   13   16   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     F    16_A     F    16_A     14   20   52      6   11   13   16   18   19   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     L    17_A     L    17_A     14   20   52      6   11   13   16   18   20   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     A    18_A     A    18_A     14   20   52      5   11   13   16   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     E    19_A     E    19_A     13   20   52      6   11   13   16   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     I    20_A     I    20_A     13   20   52      6   10   13   16   18   21   25   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     F    21_A     F    21_A     13   20   52      6   10   13   16   18   19   23   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    22_A     K    22_A     13   20   52      6    9   13   15   18   19   21   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    23_A     K    23_A     13   20   52      6    8   13   15   17   21   24   26   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     I    24_A     I    24_A     12   20   52      6    8   12   14   17   19   21   24   31   36   39   42   49   55   59   59   61   62   63   65 
LCS_GDT     G    25_A     G    25_A      4   18   52      3    7   14   16   18   19   21   26   31   36   39   42   46   55   59   59   61   62   63   65 
LCS_GDT     S    26_A     S    26_A      5   20   52      3    4    7   14   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    27_A     K    27_A      5   20   52      4    4   11   15   18   23   24   27   31   36   39   43   50   55   59   59   61   61   63   65 
LCS_GDT     E    28_A     E    28_A      5   20   52      4    4    6    9   12   18   21   25   30   34   37   43   50   55   59   59   61   61   63   65 
LCS_GDT     N    29_A     N    29_A     17   20   52      5   12   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     T    30_A     T    30_A     17   20   52      7   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    31_A     K    31_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     E    32_A     E    32_A     17   20   52      7   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     G    33_A     G    33_A     17   20   52      9   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     L    34_A     L    34_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     A    35_A     A    35_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     E    36_A     E    36_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     L    37_A     L    37_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     Y    38_A     Y    38_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     E    39_A     E    39_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     Y    40_A     Y    40_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    41_A     K    41_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    42_A     K    42_A     17   20   52     10   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    43_A     K    43_A     17   20   52      4   14   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     Y    44_A     Y    44_A     17   20   52      3   10   16   17   18   23   24   27   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     S    45_A     S    45_A     17   20   52      3    7   16   17   18   23   23   27   30   34   37   43   50   55   59   59   61   61   63   65 
LCS_GDT     D    46_A     D    46_A     11   18   52      1    6   11   11   12   13   13   15   21   29   32   37   42   49   53   56   57   60   62   63 
LCS_GDT     A    47_A     A    47_A     11   13   52      3    6   11   13   17   18   20   24   27   34   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     D    48_A     D    48_A     11   13   52      3    5   11   11   12   15   20   24   27   32   36   42   48   55   59   59   61   62   63   65 
LCS_GDT     I    49_A     I    49_A     11   13   52      7    8   11   11   13   17   20   24   27   32   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     E    50_A     E    50_A     11   13   52      7    8   11   11   12   13   19   24   27   34   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     P    51_A     P    51_A     11   13   52      7    8   11   11   12   13   20   24   27   34   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     F    52_A     F    52_A     11   13   52      7    8   11   11   15   18   20   24   27   34   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     L    53_A     L    53_A     11   13   52      7    8   11   11   12   13   13   14   27   32   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     K    54_A     K    54_A     11   13   52      7    8   11   11   12   17   19   23   27   31   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     N    55_A     N    55_A     11   13   52      7    8   11   11   15   17   19   20   26   34   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     S    56_A     S    56_A     11   21   52      3    8   11   12   16   20   23   26   29   31   37   43   50   55   59   59   61   62   63   65 
LCS_GDT     S    57_A     S    57_A     13   24   52      4    8   13   17   22   23   25   26   29   31   31   34   35   39   43   50   54   55   60   61 
LCS_GDT     Q    58_A     Q    58_A     13   24   52      4   10   13   17   22   23   25   26   29   32   37   43   50   55   59   59   61   61   63   65 
LCS_GDT     F    59_A     F    59_A     13   24   52      4    9   13   18   22   23   25   26   29   31   31   37   43   55   59   59   61   62   63   65 
LCS_GDT     F    60_A     F    60_A     13   24   52      4   10   14   18   22   23   25   26   29   31   36   43   50   55   59   59   61   62   63   65 
LCS_GDT     Q    61_A     Q    61_A     13   24   52      8   10   14   18   22   23   25   26   30   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     S    62_A     S    62_A     13   24   42      8   10   14   18   22   23   25   26   31   36   39   43   50   55   59   59   61   62   63   65 
LCS_GDT     Y    63_A     Y    63_A     13   24   42      8   10   14   18   22   23   25   26   29   31   36   41   48   54   59   59   61   62   63   65 
LCS_GDT     V    64_A     V    64_A     13   24   41      8   10   14   18   22   23   25   26   31   36   39   43   49   55   59   59   61   62   63   65 
LCS_GDT     E    65_A     E    65_A     13   24   40      8   10   14   18   22   23   25   26   29   31   34   39   40   47   54   59   61   62   63   65 
LCS_GDT     R    66_A     R    66_A     13   24   33      8   10   14   18   22   23   25   26   29   31   31   34   38   44   49   56   59   62   63   65 
LCS_GDT     G    67_A     G    67_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   44   49   56   59   62   63   65 
LCS_GDT     L    68_A     L    68_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   40   50   54   62   63   65 
LCS_GDT     R    69_A     R    69_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   40   43   52   56   61   63 
LCS_GDT     V    70_A     V    70_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   40   43   49   54   58   62 
LCS_GDT     I    71_A     I    71_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   40   43   45   50   57   59 
LCS_GDT     E    72_A     E    72_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   40   43   44   47   53   59 
LCS_GDT     M    73_A     M    73_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   39   43   44   47   56   59 
LCS_GDT     E    74_A     E    74_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   40   42   44   46   50   58 
LCS_GDT     R    75_A     R    75_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   39   42   44   46   49   52 
LCS_GDT     E    76_A     E    76_A     13   24   33      8   11   14   18   22   23   25   26   29   31   31   34   36   37   39   42   43   46   49   52 
LCS_GDT     G    77_A     G    77_A     13   24   33      6   11   14   18   22   23   25   26   29   31   31   34   36   37   39   42   43   46   49   52 
LCS_GDT     K    78_A     K    78_A      4   24   33      3    8   13   16   19   23   23   26   28   31   31   34   36   37   39   42   43   46   49   51 
LCS_GDT     G    79_A     G    79_A      4   24   33      3    5   10   18   22   23   25   26   29   31   31   34   36   37   39   42   43   46   49   52 
LCS_GDT     R    80_A     R    80_A      4   24   33      3    4    8   15   21   22   25   26   29   31   31   34   36   37   39   42   43   47   50   58 
LCS_GDT     I    81_A     I    81_A      4    7   33      3    4    9   15   16   21   25   26   29   31   31   34   36   37   39   42   43   46   49   51 
LCS_GDT     S    82_A     S    82_A      3    6   33      3    3    5    8   11   16   20   24   28   31   31   34   36   37   39   42   43   46   49   50 
LCS_GDT     T    83_A     T    83_A      3    6   33      3    3    9   15   16   20   23   26   29   31   31   34   36   37   39   42   43   46   49   50 
LCS_GDT     S    84_A     S    84_A      3    5   33      3    3    5    5    8   10   16   17   20   23   27   31   33   35   38   41   42   45   46   49 
LCS_GDT     T    85_A     T    85_A      3    5   33      3    3    3    5    8    9    9   11   12   15   16   18   22   23   28   29   33   36   38   44 
LCS_GDT     G    86_A     G    86_A      4    5   30      3    4    4    5    8    9    9   11   12   13   15   17   19   20   20   24   27   29   31   33 
LCS_GDT     I    87_A     I    87_A      4    5   19      3    4    4    6    7    7    7   11   12   13   15   18   21   22   25   26   30   31   31   34 
LCS_GDT     S    88_A     S    88_A      4    5   19      3    4    4    5    6    7    7   10   12   15   16   18   21   22   25   26   30   31   31   34 
LCS_GDT     P    89_A     P    89_A      4    5   19      2    4    4    5    6    7    7    8   10   15   16   18   21   22   25   26   30   31   32   35 
LCS_GDT     Q    90_A     Q    90_A      3    5   17      0    4    4    5    6    7    7    8    9   13   14   18   20   22   23   26   30   31   31   34 
LCS_GDT     M    91_A     M    91_A      3    5   17      3    3    3    5    6    7    8    8   11   13   14   15   16   18   19   21   21   24   26   30 
LCS_GDT     E    92_A     E    92_A      3    5   17      3    3    4    4    4    7    7    8    9   13   14   15   16   18   19   21   21   22   23   24 
LCS_GDT     V    93_A     V    93_A      3    5   17      3    3    4    5    6    7    8    9   11   13   14   15   16   18   19   21   21   22   23   24 
LCS_GDT     T    94_A     T    94_A      4    5   17      0    4    4    5    6    7    8    9   11   13   14   15   16   18   19   21   21   22   23   24 
LCS_GDT     C    95_A     C    95_A      4    5   17      0    4    4    4    4    5    5    8    8    9   11   12   12   14   16   19   20   22   22   24 
LCS_GDT     V    96_A     V    96_A      4    5   17      3    4    4    4    5    5    6    8    9   10   14   15   15   17   18   21   21   22   23   24 
LCS_GDT     P    97_A     P    97_A      4    5   17      3    4    4    5    6    7    8    9   11   13   14   15   16   18   19   21   21   22   23   24 
LCS_GDT     T    98_A     T    98_A      4    5   17      3    3    4    5    6    7    8    9   11   13   14   15   16   18   19   21   21   22   23   24 
LCS_GDT     P    99_A     P    99_A      4    5   17      3    3    4    4    6    7    8    9   11   13   14   15   16   18   19   21   23   27   31   31 
LCS_GDT     T   100_A     T   100_A      4    5   17      3    3    5    5    6    6    8    9   11   13   14   15   16   19   21   23   26   29   31   32 
LCS_GDT     S   101_A     S   101_A      3    5   17      3    3    5    6    6    6    6    8   10   11   12   18   20   21   23   24   27   29   31   33 
LCS_GDT     T   102_A     T   102_A      3    5   17      3    3    3    6    6    6    8    9   11   15   16   18   21   22   23   24   27   31   31   34 
LCS_GDT     V   103_A     V   103_A      3    4   17      3    4    4    4    6    6    8    9   11   13   14   15   16   19   25   26   30   31   31   34 
LCS_GDT     S   104_A     S   104_A      3    4   17      3    4    4    6    6    6    6    9   11   13   14   15   20   22   25   26   30   31   31   34 
LCS_GDT     S   105_A     S   105_A      3    4   17      0    4    4    6    6    6    8    9   11   13   14   15   20   22   25   26   32   37   39   41 
LCS_GDT     I   106_A     I   106_A      3    5   17      3    3    5    6    6    6    8    9   11   12   14   15   20   22   25   26   30   31   32   41 
LCS_GDT     G   107_A     G   107_A      4    6   17      3    4    5    6    7    8    9   10   11   12   13   15   18   21   21   26   30   31   32   41 
LCS_GDT     N   108_A     N   108_A      4    6   25      3    4    5    6    7    8    9   10   12   16   18   21   22   24   24   27   30   31   32   40 
LCS_GDT     T   109_A     T   109_A      4    6   30      3    4    5    6    7    8   10   12   15   18   22   23   25   26   28   29   32   37   39   41 
LCS_GDT     N   110_A     N   110_A      4    6   30      3    4    5    6    9   10   12   16   17   19   22   24   26   27   28   29   30   37   39   41 
LCS_GDT     G   111_A     G   111_A      4    6   30      3    3    6    7   10   12   15   16   19   22   25   25   26   27   28   29   32   37   39   41 
LCS_GDT     E   112_A     E   112_A      4    6   30      3    4    6    7   10   13   16   19   21   23   25   25   29   32   32   32   33   37   39   41 
LCS_GDT     E   113_A     E   113_A      4    6   30      3    4    6    7   10   13   15   19   21   23   25   25   29   32   32   32   33   37   39   41 
LCS_GDT     V   114_A     V   114_A      4    6   30      3    4    4    6   10   13   16   19   21   23   25   25   29   32   32   32   33   37   41   45 
LCS_GDT     G   115_A     G   115_A     13   19   30      1    4    9   12   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     P   116_A     P   116_A     16   19   30      4   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     S   117_A     S   117_A     16   19   30      9   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     V   118_A     V   118_A     16   19   30      9   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     Y   119_A     Y   119_A     16   19   30      8   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     L   120_A     L   120_A     16   19   30      8   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     E   121_A     E   121_A     16   19   30      9   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     R   122_A     R   122_A     16   19   30      9   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     L   123_A     L   123_A     16   19   30      9   12   15   18   19   19   21   23   23   27   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     K   124_A     K   124_A     16   19   30      9   12   15   18   19   19   21   23   23   25   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     I   125_A     I   125_A     16   19   30      9   12   15   18   19   19   21   23   23   25   28   33   36   39   42   44   45   45   46   46 
LCS_GDT     L   126_A     L   126_A     16   19   30      9   12   15   18   19   19   21   23   23   25   27   33   36   39   42   44   45   45   46   46 
LCS_GDT     R   127_A     R   127_A     16   19   30      9   12   15   18   19   19   21   23   23   25   26   30   36   39   42   44   45   45   46   46 
LCS_GDT     Q   128_A     Q   128_A     16   19   30      4   12   15   18   19   19   21   23   23   25   26   28   30   37   42   44   45   45   46   46 
LCS_GDT     R   129_A     R   129_A     16   19   30      4   11   15   18   19   19   21   23   23   25   26   28   30   33   41   44   45   45   46   46 
LCS_GDT     C   130_A     C   130_A     16   19   30      3    8   15   18   19   19   21   23   23   25   26   28   30   33   41   44   45   45   46   46 
LCS_GDT     G   131_A     G   131_A     16   19   30      4   11   15   18   19   19   21   23   23   25   26   28   30   33   41   42   45   45   46   46 
LCS_GDT     L   132_A     L   132_A     12   19   30      4   11   15   18   19   19   21   23   23   25   26   29   36   39   42   44   45   45   46   46 
LCS_GDT     D   133_A     D   133_A      8   19   30      4    7   14   18   19   19   21   23   23   25   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     N   134_A     N   134_A      4   19   30      3    3    6    9   12   18   20   20   21   23   30   33   36   39   42   44   45   45   46   46 
LCS_GDT     T   135_A     T   135_A      4    5   30      3    3    4    5    5    6    6   11   18   22   25   25   27   33   35   37   37   39   39   41 
LCS_GDT     K   136_A     K   136_A      4    5   30      3    3    4    5    5    6    6    7   11   18   21   24   26   27   28   29   30   32   38   39 
LCS_GDT     Q   137_A     Q   137_A      3    5   30      3    3    3    3    5    6    6    7    8   14   21   24   26   27   28   29   30   32   38   39 
LCS_GDT     D   138_A     D   138_A      3    5   30      3    3    3    4    5    6    6    7    8    9    9   18   19   26   27   29   30   32   38   39 
LCS_GDT     D   139_A     D   139_A      3    5   10      3    3    3    4    5    5    5    6    8    9    9    9    9   10   12   12   14   14   16   19 
LCS_GDT     R   140_A     R   140_A      3    5   10      3    3    3    4    5    5    5    7    8    9    9    9    9   10   12   12   14   14   15   15 
LCS_GDT     P   141_A     P   141_A      3    4   10      3    3    3    4    4    5    5    6    8    9    9    9   10   19   20   25   26   26   27   29 
LCS_AVERAGE  LCS_A:  14.90  (   7.28   11.03   26.40 )

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     10     14     16     18     22     23     25     27     31     36     39     43     50     55     59     59     61     62     63     65 
GDT PERCENT_AT   7.09   9.93  11.35  12.77  15.60  16.31  17.73  19.15  21.99  25.53  27.66  30.50  35.46  39.01  41.84  41.84  43.26  43.97  44.68  46.10
GDT RMS_LOCAL    0.27   0.53   0.79   1.13   1.62   1.76   2.18   2.55   3.10   3.49   4.02   4.26   4.80   5.06   5.43   5.43   5.70   6.29   6.02   6.38
GDT RMS_ALL_AT  29.98  30.00  29.89  22.67  25.68  25.77  25.20  31.64  31.36  31.37  30.90  31.35  30.84  30.76  30.18  30.18  29.91  28.69  29.59  28.99

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_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:  F    21_A      F    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  E    50_A      E    50_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:  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    21.377     0    0.078   0.118    22.961    0.000    0.000
LGA    S     2_A      S     2_A    23.812     0    0.604   0.785    25.347    0.000    0.000
LGA    R     3_A      R     3_A    20.847     0    0.064   1.241    26.207    0.000    0.000
LGA    I     4_A      I     4_A    17.050     0    0.078   0.104    19.682    0.000    0.000
LGA    D     5_A      D     5_A    16.565     0    0.153   0.270    17.815    0.000    0.000
LGA    E     6_A      E     6_A    15.345     0    0.064   0.481    19.602    0.000    0.000
LGA    K     7_A      K     7_A    12.941     0    0.046   0.051    17.674    0.000    0.000
LGA    S     8_A      S     8_A    10.942     0    0.032   0.129    12.932    0.357    0.238
LGA    S     9_A      S     9_A    10.902     0    0.027   0.737    12.295    0.833    0.556
LGA    K    10_A      K    10_A     8.314     0    0.147   0.899     9.486    7.381    7.090
LGA    A    11_A      A    11_A     6.901     0    0.043   0.048     7.634   15.952   14.762
LGA    K    12_A      K    12_A     6.066     0    0.059   0.068     9.783   20.833   12.751
LGA    V    13_A      V    13_A     5.467     0    0.053   0.804     7.347   32.024   25.238
LGA    N    14_A      N    14_A     2.979     0    0.067   1.067     5.515   61.667   52.321
LGA    D    15_A      D    15_A     2.053     0    0.039   0.962     3.867   69.048   60.476
LGA    F    16_A      F    16_A     3.504     0    0.046   1.145     4.593   48.452   54.545
LGA    L    17_A      L    17_A     3.319     0    0.031   1.218     6.235   51.786   42.143
LGA    A    18_A      A    18_A     1.917     0    0.110   0.105     2.786   64.881   68.190
LGA    E    19_A      E    19_A     2.740     0    0.070   0.976     3.948   53.810   55.714
LGA    I    20_A      I    20_A     4.293     0    0.041   0.070     5.423   34.524   33.036
LGA    F    21_A      F    21_A     4.101     0    0.040   1.422     9.838   35.714   22.208
LGA    K    22_A      K    22_A     4.347     0    0.062   0.837     7.295   30.476   27.249
LGA    K    23_A      K    23_A     5.892     0    0.067   0.613     6.966   19.524   19.735
LGA    I    24_A      I    24_A     6.449     0    0.536   1.470     7.813   14.643   14.107
LGA    G    25_A      G    25_A     5.335     0    0.238   0.238     5.484   30.238   30.238
LGA    S    26_A      S    26_A     1.903     0    0.148   0.748     2.701   77.738   77.540
LGA    K    27_A      K    27_A     2.416     0    0.612   1.091     7.837   60.952   43.651
LGA    E    28_A      E    28_A     4.301     0    0.170   0.180     7.234   41.905   29.418
LGA    N    29_A      N    29_A     1.925     0    0.294   1.016     4.386   68.929   67.619
LGA    T    30_A      T    30_A     2.637     0    0.121   0.843     5.308   60.952   51.020
LGA    K    31_A      K    31_A     2.421     0    0.028   1.101     8.425   66.786   44.074
LGA    E    32_A      E    32_A     1.573     0    0.034   0.873     2.132   75.000   79.894
LGA    G    33_A      G    33_A     1.620     0    0.025   0.025     1.620   77.143   77.143
LGA    L    34_A      L    34_A     1.814     0    0.041   1.417     5.244   72.857   65.119
LGA    A    35_A      A    35_A     1.629     0    0.066   0.069     1.768   77.143   76.286
LGA    E    36_A      E    36_A     1.131     0    0.063   0.068     1.421   81.429   83.439
LGA    L    37_A      L    37_A     1.610     0    0.087   0.879     3.198   79.286   69.286
LGA    Y    38_A      Y    38_A     1.094     0    0.038   1.314     9.376   83.690   50.476
LGA    E    39_A      E    39_A     1.031     0    0.030   0.914     4.822   83.690   70.159
LGA    Y    40_A      Y    40_A     1.706     0    0.064   1.602     7.646   72.976   52.619
LGA    K    41_A      K    41_A     1.697     0    0.073   0.545     2.457   72.857   70.159
LGA    K    42_A      K    42_A     1.522     0    0.070   0.956     4.949   70.952   59.312
LGA    K    43_A      K    43_A     3.165     0    0.138   0.637     7.471   53.690   34.339
LGA    Y    44_A      Y    44_A     3.515     0    0.256   0.215     5.131   50.119   40.675
LGA    S    45_A      S    45_A     3.870     0    0.169   0.781     6.236   30.238   42.063
LGA    D    46_A      D    46_A    10.247     0    0.481   1.297    14.999    1.905    0.952
LGA    A    47_A      A    47_A     7.701     0    0.093   0.112     8.626    6.786    7.429
LGA    D    48_A      D    48_A     7.529     0    0.044   1.020    11.552    7.857    4.524
LGA    I    49_A      I    49_A     8.982     0    0.078   0.660    11.219    2.619    1.310
LGA    E    50_A      E    50_A     9.976     0    0.066   1.108    13.761    0.714    0.317
LGA    P    51_A      P    51_A     9.763     0    0.048   0.567    10.032    0.476    0.408
LGA    F    52_A      F    52_A     9.055     0    0.038   1.509    15.534    1.429    0.649
LGA    L    53_A      L    53_A    10.078     0    0.102   0.557    12.376    0.119    0.119
LGA    K    54_A      K    54_A    11.132     0    0.062   0.626    13.061    0.000    0.000
LGA    N    55_A      N    55_A     9.832     0    0.044   0.120    10.156    0.238    0.655
LGA    S    56_A      S    56_A    10.417     0    0.593   0.734    12.060    0.000    0.000
LGA    S    57_A      S    57_A    13.498     0    0.600   0.771    16.454    0.119    0.079
LGA    Q    58_A      Q    58_A     9.501     0    0.084   0.945    11.412    4.167    2.698
LGA    F    59_A      F    59_A    10.202     0    0.024   1.236    16.995    1.548    0.563
LGA    F    60_A      F    60_A     8.269     0    0.145   1.468     9.199   12.381   10.087
LGA    Q    61_A      Q    61_A     4.674     0    0.055   1.193     8.215   33.333   21.323
LGA    S    62_A      S    62_A     5.442     0    0.055   0.677     8.103   18.929   16.032
LGA    Y    63_A      Y    63_A     8.520     0    0.037   1.250    17.268    5.357    1.905
LGA    V    64_A      V    64_A     6.097     0    0.039   1.054     9.293   10.714   17.007
LGA    E    65_A      E    65_A     9.539     0    0.057   1.387    13.275    1.905    1.323
LGA    R    66_A      R    66_A    13.568     0    0.076   0.785    16.472    0.000    0.000
LGA    G    67_A      G    67_A    14.055     0    0.098   0.098    16.501    0.000    0.000
LGA    L    68_A      L    68_A    15.413     0    0.055   0.055    18.989    0.000    0.000
LGA    R    69_A      R    69_A    19.041     0    0.045   1.498    22.517    0.000    0.000
LGA    V    70_A      V    70_A    22.091     0    0.093   1.056    24.608    0.000    0.000
LGA    I    71_A      I    71_A    22.432     0    0.066   0.102    25.310    0.000    0.000
LGA    E    72_A      E    72_A    25.043     0    0.035   0.829    28.402    0.000    0.000
LGA    M    73_A      M    73_A    27.971     0    0.048   1.031    31.385    0.000    0.000
LGA    E    74_A      E    74_A    30.156     0    0.059   0.111    33.189    0.000    0.000
LGA    R    75_A      R    75_A    31.398     0    0.040   1.136    34.836    0.000    0.000
LGA    E    76_A      E    76_A    34.270     0    0.025   1.295    37.882    0.000    0.000
LGA    G    77_A      G    77_A    37.224     0    0.668   0.668    38.020    0.000    0.000
LGA    K    78_A      K    78_A    40.749     0    0.575   0.790    42.448    0.000    0.000
LGA    G    79_A      G    79_A    40.324     0    0.725   0.725    40.324    0.000    0.000
LGA    R    80_A      R    80_A    35.891     0    0.448   0.989    37.633    0.000    0.000
LGA    I    81_A      I    81_A    39.635     0    0.142   0.155    42.774    0.000    0.000
LGA    S    82_A      S    82_A    43.975     0    0.393   0.426    45.132    0.000    0.000
LGA    T    83_A      T    83_A    48.039     0    0.491   0.461    52.269    0.000    0.000
LGA    S    84_A      S    84_A    54.170     0    0.189   0.595    56.218    0.000    0.000
LGA    T    85_A      T    85_A    54.067     0    0.047   0.045    56.113    0.000    0.000
LGA    G    86_A      G    86_A    54.371     0    0.530   0.530    57.853    0.000    0.000
LGA    I    87_A      I    87_A    56.143     0    0.648   0.599    56.798    0.000    0.000
LGA    S    88_A      S    88_A    58.026     0    0.053   0.633    61.509    0.000    0.000
LGA    P    89_A      P    89_A    59.473     0    0.627   0.906    59.927    0.000    0.000
LGA    Q    90_A      Q    90_A    61.733     0    0.655   1.268    65.972    0.000    0.000
LGA    M    91_A      M    91_A    59.737     0    0.537   1.164    61.211    0.000    0.000
LGA    E    92_A      E    92_A    60.096     0    0.431   0.450    63.595    0.000    0.000
LGA    V    93_A      V    93_A    58.702     0    0.637   1.363    60.841    0.000    0.000
LGA    T    94_A      T    94_A    58.264     0    0.585   1.360    58.991    0.000    0.000
LGA    C    95_A      C    95_A    61.914     0    0.360   0.741    64.522    0.000    0.000
LGA    V    96_A      V    96_A    56.999     0    0.615   1.128    58.592    0.000    0.000
LGA    P    97_A      P    97_A    51.059     0    0.689   0.959    52.956    0.000    0.000
LGA    T    98_A      T    98_A    52.937     0    0.193   1.267    57.384    0.000    0.000
LGA    P    99_A      P    99_A    51.611     0    0.677   0.809    54.382    0.000    0.000
LGA    T   100_A      T   100_A    52.694     0    0.613   1.435    55.236    0.000    0.000
LGA    S   101_A      S   101_A    50.520     0    0.640   0.832    51.196    0.000    0.000
LGA    T   102_A      T   102_A    49.598     0    0.211   0.195    53.508    0.000    0.000
LGA    V   103_A      V   103_A    49.286     0    0.335   0.332    49.950    0.000    0.000
LGA    S   104_A      S   104_A    51.940     0    0.516   0.681    54.000    0.000    0.000
LGA    S   105_A      S   105_A    46.843     0    0.109   0.689    48.919    0.000    0.000
LGA    I   106_A      I   106_A    42.536     0    0.630   0.643    44.064    0.000    0.000
LGA    G   107_A      G   107_A    39.216     0    0.602   0.602    41.083    0.000    0.000
LGA    N   108_A      N   108_A    42.208     0    0.090   0.162    44.245    0.000    0.000
LGA    T   109_A      T   109_A    42.109     0    0.129   1.057    45.002    0.000    0.000
LGA    N   110_A      N   110_A    44.949     0    0.231   0.907    49.704    0.000    0.000
LGA    G   111_A      G   111_A    41.320     0    0.118   0.118    43.052    0.000    0.000
LGA    E   112_A      E   112_A    40.703     0    0.475   0.906    41.827    0.000    0.000
LGA    E   113_A      E   113_A    41.658     0    0.063   0.806    49.561    0.000    0.000
LGA    V   114_A      V   114_A    36.125     0    0.269   1.184    37.852    0.000    0.000
LGA    G   115_A      G   115_A    34.365     0    0.457   0.457    34.806    0.000    0.000
LGA    P   116_A      P   116_A    35.343     0    0.284   0.496    39.287    0.000    0.000
LGA    S   117_A      S   117_A    37.647     0    0.076   0.665    41.750    0.000    0.000
LGA    V   118_A      V   118_A    32.967     0    0.069   0.848    34.875    0.000    0.000
LGA    Y   119_A      Y   119_A    27.389     0    0.062   0.953    29.700    0.000    0.000
LGA    L   120_A      L   120_A    31.147     0    0.031   1.409    35.225    0.000    0.000
LGA    E   121_A      E   121_A    32.899     0    0.053   0.923    39.749    0.000    0.000
LGA    R   122_A      R   122_A    25.919     0    0.028   1.211    31.439    0.000    0.000
LGA    L   123_A      L   123_A    23.941     0    0.109   0.976    25.801    0.000    0.000
LGA    K   124_A      K   124_A    30.212     0    0.034   0.906    40.006    0.000    0.000
LGA    I   125_A      I   125_A    28.754     0    0.040   0.048    31.056    0.000    0.000
LGA    L   126_A      L   126_A    22.691     0    0.366   1.123    24.470    0.000    0.000
LGA    R   127_A      R   127_A    26.266     0    0.065   1.040    32.061    0.000    0.000
LGA    Q   128_A      Q   128_A    31.673     0    0.086   0.960    36.610    0.000    0.000
LGA    R   129_A      R   129_A    27.265     0    0.036   1.526    28.411    0.000    0.000
LGA    C   130_A      C   130_A    26.120     0    0.076   0.797    29.335    0.000    0.000
LGA    G   131_A      G   131_A    33.027     0    0.362   0.362    34.122    0.000    0.000
LGA    L   132_A      L   132_A    38.138     0    0.277   0.430    42.585    0.000    0.000
LGA    D   133_A      D   133_A    38.681     0    0.222   0.901    40.532    0.000    0.000
LGA    N   134_A      N   134_A    41.021     0    0.096   0.647    43.650    0.000    0.000
LGA    T   135_A      T   135_A    41.123     0    0.571   1.073    41.216    0.000    0.000
LGA    K   136_A      K   136_A    42.198     0    0.538   1.141    43.858    0.000    0.000
LGA    Q   137_A      Q   137_A    48.356     0    0.105   0.159    53.036    0.000    0.000
LGA    D   138_A      D   138_A    51.687     0    0.371   0.368    54.599    0.000    0.000
LGA    D   139_A      D   139_A    51.802     0    0.129   0.227    52.475    0.000    0.000
LGA    R   140_A      R   140_A    50.694     0    0.258   0.700    55.217    0.000    0.000
LGA    P   141_A      P   141_A    44.310     0    0.153   0.705    47.426    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):    18.248         18.242                 18.837           14.618   12.853

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     27    2.55    20.922    18.591     1.019

LGA_LOCAL      RMSD:   2.548  Number of atoms:   27  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  31.641  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  18.248  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.135153 * X  +   0.096850 * Y  +  -0.986080 * Z  +  -6.717419
  Y_new =  -0.893371 * X  +   0.418496 * Y  +   0.163550 * Z  +  -3.001095
  Z_new =   0.428511 * X  +   0.903040 * Y  +   0.029962 * Z  +  -7.584075 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.720942 -0.442844  1.537629   [DEG:  -98.6027  -25.3731   88.0997 ]
ZXZ: -1.735159  1.540830  0.443057   [DEG:  -99.4173   88.2830   25.3853 ]
 
# END of job
