
#######################################################
#                                                     #
#                        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:    30      36_A - 65_A        5.00    19.12
  LONGEST_CONTINUOUS_SEGMENT:    30     105_A - 134_A       4.83    25.77
  LCS_AVERAGE:     18.97

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20     115_A - 134_A       1.91    25.24
  LCS_AVERAGE:      8.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     118_A - 133_A       0.92    26.13
  LONGEST_CONTINUOUS_SEGMENT:    16     119_A - 134_A       0.84    26.32
  LCS_AVERAGE:      5.49

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    3   19      0    3    3    4    8   10   12   12   15   17   19   26   29   31   33   34   36   40   44   49 
LCS_GDT     V     4_A     V     4_A      3   10   19      2    3    6    9   10   12   14   16   16   18   20   26   29   31   33   34   36   40   44   49 
LCS_GDT     D     5_A     D     5_A      6   10   19      3    4    6    9   11   12   14   16   16   18   20   26   29   31   33   34   36   40   44   49 
LCS_GDT     K     6_A     K     6_A      6   10   19      3    5    6    9   11   12   14   16   16   18   20   26   29   31   33   33   36   41   44   49 
LCS_GDT     R     7_A     R     7_A      6   10   19      4    5    6    9   11   12   14   16   16   18   20   26   29   31   33   36   37   41   47   49 
LCS_GDT     K     8_A     K     8_A      6   10   19      4    5    6    9   11   12   14   16   16   18   18   22   25   27   30   36   37   41   47   49 
LCS_GDT     I     9_A     I     9_A      6   10   19      4    5    6    9   11   16   19   21   24   25   27   30   34   38   40   42   43   49   51   56 
LCS_GDT     K    10_A     K    10_A      6   10   19      4    5    6    9   11   15   19   21   23   28   31   34   36   38   41   42   44   49   51   58 
LCS_GDT     I    11_A     I    11_A      6   10   19      4    5    6    9   11   15   19   21   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     I    12_A     I    12_A      6   10   19      4    5    6    8   11   13   14   17   20   23   25   31   33   36   39   42   44   46   52   55 
LCS_GDT     L    13_A     L    13_A      6   10   19      4    5    6    8   11   13   15   16   18   21   22   26   27   31   36   39   43   46   52   57 
LCS_GDT     N    14_A     N    14_A      6   10   19      4    5    7    9   11   13   15   16   18   19   21   24   26   29   34   36   40   45   49   53 
LCS_GDT     G    15_A     G    15_A      3    8   19      3    3    3    9   10   12   14   16   17   20   22   24   26   31   34   41   43   50   55   57 
LCS_GDT     E    16_A     E    16_A      3    8   19      3    3    3    4    8   12   14   16   16   20   22   23   26   32   35   41   44   51   55   57 
LCS_GDT     M    17_A     M    17_A      3    5   19      3    3    4    4    6   10   11   12   15   20   24   27   31   34   37   41   45   51   55   58 
LCS_GDT     E    18_A     E    18_A      3    3   19      3    5    8    9   11   13   16   19   23   26   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     E    19_A     E    19_A      3    3   19      1    3    3    9   11   12   19   21   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     A    20_A     A    20_A      3    3   19      0    3    4    4    8   13   14   18   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     E    21_A     E    21_A      3    3   19      0    3    3    4    5    8   10   11   16   21   24   29   32   36   40   42   43   49   51   58 
LCS_GDT     L    22_A     L    22_A      3    3   17      2    3    3    4    5    7   10   13   20   22   24   27   30   31   37   42   43   48   51   58 
LCS_GDT     H    23_A     H    23_A      3    3   18      2    5    6    8   11   18   19   21   22   25   26   29   30   32   37   42   43   46   51   54 
LCS_GDT     M    24_A     M    24_A      3    3   18      3    5    5    6    6    6    9   12   14   16   20   23   26   29   32   37   40   42   45   50 
LCS_GDT     I    25_A     I    25_A      3    3   18      1    5    5    5    5    6    9   12   12   16   20   23   26   27   29   31   37   39   45   50 
LCS_GDT     T    26_A     T    26_A      3    4   18      2    3    3    3    7    9   10   11   14   17   18   20   29   31   33   33   35   39   45   50 
LCS_GDT     S    27_A     S    27_A      4    6   18      2    3    4    5    6    7   10   10   14   17   18   20   25   27   30   33   35   39   42   50 
LCS_GDT     P    28_A     P    28_A      4    6   18      3    3    4    5    6    9   10   10   14   17   18   26   29   31   33   33   35   39   42   47 
LCS_GDT     N    29_A     N    29_A      4    6   18      3    3    4    5    6    7   10   13   15   18   20   26   29   31   33   34   36   40   43   48 
LCS_GDT     R    30_A     R    30_A      4    6   18      3    3    5    5    5    6    8   10   14   17   17   26   29   31   33   35   37   40   45   50 
LCS_GDT     H    31_A     H    31_A      4    6   18      0    3    5    5    5    6    8   10   14   18   20   26   29   31   33   35   39   42   46   51 
LCS_GDT     C    32_A     C    32_A      7   11   18      1    4    8    9   10   13   15   16   18   19   21   26   29   31   34   38   43   48   51   56 
LCS_GDT     C    33_A     C    33_A      7   11   18      3    7    7    8   10   12   15   16   18   19   21   26   29   31   34   39   43   48   52   57 
LCS_GDT     L    34_A     L    34_A      7   11   25      5    7    8    9   11   15   18   20   22   23   26   29   30   33   37   42   44   51   55   58 
LCS_GDT     K    35_A     K    35_A      7   11   27      5    7   11   14   15   18   19   22   24   25   29   32   36   38   41   42   45   51   55   58 
LCS_GDT     I    36_A     I    36_A      7   11   30      5    7    8    9   11   15   19   21   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     F    37_A     F    37_A      7   11   30      5    7    8    9   11   15   19   21   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     H    38_A     H    38_A      7   11   30      5    7    8    9   11   13   16   20   21   24   27   31   36   38   41   42   45   51   55   58 
LCS_GDT     N    39_A     N    39_A      5   11   30      3    5    5    7    9   11   15   16   18   20   22   24   27   33   35   41   45   51   55   57 
LCS_GDT     N    40_A     N    40_A      5   11   30      3    5    8    9   11   13   16   20   21   26   30   34   36   38   41   42   45   51   55   58 
LCS_GDT     N    41_A     N    41_A      5   11   30      3    6    8    9   11   14   17   21   22   26   30   34   36   38   41   42   45   51   55   58 
LCS_GDT     Q    42_A     Q    42_A      5   11   30      3    5    7    9   11   15   19   21   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     L    43_A     L    43_A      5    7   30      3    5    8    9   11   15   19   21   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     A    44_A     A    44_A      4    7   30      3    4    5    9   11   15   19   21   23   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     E    45_A     E    45_A      4   10   30      3    4    8    9   12   16   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     S    46_A     S    46_A      4   10   30      3    4    5    7   10   14   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     N    47_A     N    47_A      4   16   30      3    3    5   10   15   18   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     D    48_A     D    48_A      3   16   30      3    4    5   10   15   18   19   22   24   28   31   34   36   38   41   42   45   49   53   58 
LCS_GDT     T    49_A     T    49_A      3   16   30      3    3    5    7   12   18   19   22   24   28   29   33   36   38   41   42   45   49   53   58 
LCS_GDT     D    50_A     D    50_A     13   16   30     10   13   13   14   14   18   19   22   24   25   28   33   36   38   41   42   44   49   53   58 
LCS_GDT     Y    51_A     Y    51_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     F    52_A     F    52_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   50   55   58 
LCS_GDT     S    53_A     S    53_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   49   53   58 
LCS_GDT     C    54_A     C    54_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     F    55_A     F    55_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     A    56_A     A    56_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   49   51   58 
LCS_GDT     D    57_A     D    57_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     L    58_A     L    58_A     13   16   30     10   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     R    59_A     R    59_A     13   16   30     10   13   13   14   15   18   19   22   24   25   28   32   36   38   41   42   44   49   51   58 
LCS_GDT     N    60_A     N    60_A     13   16   30      9   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   44   49   51   58 
LCS_GDT     Q    61_A     Q    61_A     13   16   30      8   13   13   14   15   18   19   22   24   28   31   34   36   38   41   42   44   49   51   58 
LCS_GDT     L    62_A     L    62_A     13   16   30      8   13   13   14   15   18   19   22   24   25   26   30   34   37   40   42   43   48   51   58 
LCS_GDT     K    63_A     K    63_A      3   14   30      3    3    4    6   10   15   19   22   24   28   31   34   36   38   41   42   44   49   51   58 
LCS_GDT     N    64_A     N    64_A      6    8   30      0    5    6    7    7    9   11   14   22   28   31   34   36   38   41   42   44   49   51   58 
LCS_GDT     I    65_A     I    65_A      6    8   30      4    5    6    7    7    8   11   14   15   26   31   34   36   38   41   42   44   49   51   58 
LCS_GDT     I    66_A     I    66_A      6    8   29      4    5    6    7    7    9   11   19   23   26   31   34   36   38   41   42   45   49   51   58 
LCS_GDT     F    67_A     F    67_A      6    8   29      4    5    6    7    7    8   11   19   23   26   31   34   36   38   41   42   45   51   55   58 
LCS_GDT     L    68_A     L    68_A      6    8   29      3    5    6    7    7    9   11   14   17   22   29   33   35   37   40   41   45   51   55   58 
LCS_GDT     C    69_A     C    69_A      6    8   29      4    5    6    7    7    9   11   14   18   24   29   33   36   37   40   41   45   51   55   58 
LCS_GDT     K    70_A     K    70_A      4    8   29      4    4    6    7    7    9   11   14   17   21   24   26   30   34   37   40   43   51   55   57 
LCS_GDT     G    71_A     G    71_A      4    8   27      4    4    4    5    6    7    8   10   11   16   20   21   24   25   30   34   38   46   51   56 
LCS_GDT     A    72_A     A    72_A      4    6   19      4    4    4    5    6    7    9   11   13   16   17   19   23   25   28   32   34   40   44   48 
LCS_GDT     K    73_A     K    73_A      4    6   19      4    4    5    6    6    8    9   12   15   16   17   20   25   29   31   38   41   43   46   50 
LCS_GDT     I    74_A     I    74_A      4    6   19      3    4    5    6    8    9   12   14   15   18   20   26   29   31   33   38   41   42   46   49 
LCS_GDT     N    75_A     N    75_A      4    6   19      3    4    5    6    6    8   11   14   15   18   22   26   29   31   35   38   41   43   46   49 
LCS_GDT     V    76_A     V    76_A      4    6   19      3    4    5    6    6    9   11   14   17   21   24   26   30   34   37   40   41   43   47   50 
LCS_GDT     Y    77_A     Y    77_A      3    6   22      2    3    4    6    7    9   10   12   15   21   24   26   30   34   37   40   41   44   51   56 
LCS_GDT     P    78_A     P    78_A      3    9   22      3    3    4    4    6    8    8   12   15   21   23   26   30   34   37   40   41   46   51   58 
LCS_GDT     S    79_A     S    79_A      9    9   22      7    8    8    9    9    9   11   12   15   19   23   26   30   34   37   40   41   46   51   54 
LCS_GDT     A    80_A     A    80_A      9    9   22      7    8    8    9    9   10   12   13   15   17   19   20   23   25   29   31   36   39   47   53 
LCS_GDT     M    81_A     M    81_A      9    9   22      7    8    8    9    9    9   11   13   15   17   19   20   23   25   29   35   41   44   49   56 
LCS_GDT     S    82_A     S    82_A      9    9   22      7    8    8    9    9   12   14   17   18   21   24   26   29   33   37   41   45   51   55   58 
LCS_GDT     R    83_A     R    83_A      9    9   22      7    8    8    9    9   12   14   17   19   22   25   28   30   38   40   42   45   51   55   58 
LCS_GDT     D    84_A     D    84_A      9    9   22      7    8    8    9    9    9   11   11   15   17   19   24   26   32   36   41   45   51   55   58 
LCS_GDT     M    85_A     M    85_A      9    9   22      7    8    8    9    9    9   11   12   15   16   19   24   28   33   37   41   45   51   55   57 
LCS_GDT     S    86_A     S    86_A      9    9   22      4    8    8    9   11   12   16   17   21   22   24   28   30   33   37   41   45   51   55   58 
LCS_GDT     D    87_A     D    87_A      9    9   22      3    5    8    9   11   12   16   17   21   22   24   26   30   33   37   41   45   51   55   57 
LCS_GDT     G    88_A     G    88_A      4    9   22      3    4    4    5    8   10   12   15   21   22   24   26   30   33   37   41   45   51   55   57 
LCS_GDT     I    89_A     I    89_A      6    9   22      3    5    8    8    9   10   16   17   21   22   24   26   30   33   35   41   45   51   55   57 
LCS_GDT     V    90_A     V    90_A      6    9   22      3    5    8    8   10   12   16   17   21   22   24   26   30   33   37   41   45   51   55   57 
LCS_GDT     A    91_A     A    91_A      6    9   22      3    4    8    8    9   10   13   15   19   22   24   28   30   33   37   41   45   51   55   58 
LCS_GDT     Y    92_A     Y    92_A      6    9   22      3    5    8    8    9   10   12   13   15   26   27   27   28   33   37   41   45   51   55   58 
LCS_GDT     E    93_A     E    93_A      6    9   22      3    5    8   16   17   19   22   23   24   26   27   27   28   32   36   41   44   51   55   58 
LCS_GDT     T    94_A     T    94_A      6    9   22      3    5    8    8    9   11   12   13   19   21   23   26   28   30   33   37   43   48   55   57 
LCS_GDT     T    95_A     T    95_A      5    9   22      3    5    8    8    9   10   12   13   17   19   22   24   25   26   30   35   41   44   49   53 
LCS_GDT     L    96_A     L    96_A      5    9   22      3    5    8    8    9   10   12   13   17   19   22   24   25   26   30   35   39   42   45   48 
LCS_GDT     G    97_A     G    97_A      5    9   22      3    4    6    6    8   10   12   13   16   19   22   24   25   26   30   35   39   42   45   48 
LCS_GDT     Q    98_A     Q    98_A      3    5   22      3    5    5    7    7    8   11   13   17   19   22   24   25   26   31   35   39   42   45   48 
LCS_GDT     P    99_A     P    99_A      3    8   22      3    5    5    7    8    8   11   13   17   19   22   26   29   31   33   34   36   40   43   48 
LCS_GDT     G   100_A     G   100_A      6    8   21      3    6    6    7    8   10   12   13   17   19   22   26   29   31   33   35   39   42   45   48 
LCS_GDT     L   101_A     L   101_A      6    8   21      4    6    6    7    8   10   12   13   17   19   22   26   29   31   33   35   39   44   49   52 
LCS_GDT     P   102_A     P   102_A      6    8   21      4    6    6    7    8   10   12   13   17   19   22   26   29   31   33   34   36   43   47   48 
LCS_GDT     E   103_A     E   103_A      6    8   21      4    6    6    7    8   10   12   13   17   19   21   26   29   31   34   39   44   51   55   57 
LCS_GDT     N   104_A     N   104_A      6    8   21      4    6    6    7    8   10   12   13   17   19   22   26   29   31   34   41   44   51   55   58 
LCS_GDT     Q   105_A     Q   105_A      6    8   30      4    6    6    7    8   10   12   13   17   19   22   26   29   31   34   39   44   51   55   57 
LCS_GDT     V   106_A     V   106_A      3    8   30      3    3    4    4    7    9   11   13   17   19   22   26   29   32   36   41   45   51   55   58 
LCS_GDT     H   107_A     H   107_A      4    6   30      4    4    4    5    7    7    9   13   17   19   22   24   26   29   31   34   44   51   55   58 
LCS_GDT     I   108_A     I   108_A      4    6   30      4    4    4    5   12   16   19   22   24   26   27   27   28   30   36   41   45   51   55   58 
LCS_GDT     F   109_A     F   109_A      4    6   30      4    4    4    5    6    7    8   11   13   15   17   22   28   30   34   41   44   49   51   58 
LCS_GDT     D   110_A     D   110_A      4    6   30      4    4    4    5    7    9   11   12   17   19   22   26   28   31   34   40   42   48   51   56 
LCS_GDT     F   111_A     F   111_A      3    6   30      0    3    4    8   14   17   19   23   24   26   27   27   36   38   41   42   44   46   51   55 
LCS_GDT     E   112_A     E   112_A      4    9   30      3    5    6   11   14   17   19   22   24   28   31   34   36   38   41   42   44   46   51   55 
LCS_GDT     D   113_A     D   113_A      4    9   30      3    5    5    7    9   16   17   20   23   25   28   32   36   38   41   42   44   46   50   52 
LCS_GDT     K   114_A     K   114_A      4   18   30      3    5    6   13   15   17   22   23   24   28   31   34   36   38   41   42   44   48   51   55 
LCS_GDT     Y   115_A     Y   115_A      4   20   30      2    5    7   13   16   19   22   23   24   26   29   34   36   38   41   42   44   49   51   58 
LCS_GDT     V   116_A     V   116_A      4   20   30      0    3    4    8   12   17   22   23   24   26   27   27   28   30   33   39   41   46   51   58 
LCS_GDT     D   117_A     D   117_A      4   20   30      2    3    4    7   12   19   22   23   24   26   27   27   28   30   31   36   37   41   45   49 
LCS_GDT     I   118_A     I   118_A     16   20   30      3    3    4   16   17   19   22   23   24   26   27   27   28   30   31   36   37   41   47   50 
LCS_GDT     T   119_A     T   119_A     16   20   30      4    5   15   15   17   19   22   23   24   26   27   27   28   30   31   36   38   41   47   50 
LCS_GDT     P   120_A     P   120_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   31   36   38   41   47   50 
LCS_GDT     E   121_A     E   121_A     16   20   30      6   14   15   16   17   19   22   23   24   26   27   27   28   30   31   36   38   41   47   50 
LCS_GDT     E   122_A     E   122_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   34   39   43   45   52   57 
LCS_GDT     Q   123_A     Q   123_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   31   34   41   43   50   55   57 
LCS_GDT     R   124_A     R   124_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   33   39   43   48   52   57 
LCS_GDT     K   125_A     K   125_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   31   34   41   43   51   55   57 
LCS_GDT     F   126_A     F   126_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   31   36   41   44   51   55   57 
LCS_GDT     H   127_A     H   127_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   33   41   43   51   55   57 
LCS_GDT     S   128_A     S   128_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   33   36   43   48   51   56 
LCS_GDT     Q   129_A     Q   129_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   34   41   44   51   55   57 
LCS_GDT     W   130_A     W   130_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   31   33   37   43   47   49 
LCS_GDT     F   131_A     F   131_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   31   32   36   41   43   46 
LCS_GDT     E   132_A     E   132_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   31   32   36   38   43   46 
LCS_GDT     S   133_A     S   133_A     16   20   30     12   14   15   16   17   19   22   23   24   26   27   27   28   30   31   31   32   34   39   45 
LCS_GDT     L   134_A     L   134_A     16   20   30      3    3    3   16   17   19   22   23   24   26   27   27   28   30   31   31   34   36   38   39 
LCS_AVERAGE  LCS_A:  10.89  (   5.49    8.22   18.97 )

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     12     14     15     16     17     19     22     23     24     28     31     34     36     38     41     42     45     51     55     58 
GDT PERCENT_AT   9.09  10.61  11.36  12.12  12.88  14.39  16.67  17.42  18.18  21.21  23.48  25.76  27.27  28.79  31.06  31.82  34.09  38.64  41.67  43.94
GDT RMS_LOCAL    0.31   0.40   0.59   0.83   1.02   1.46   2.12   2.41   2.53   3.59   3.81   4.11   4.28   4.48   4.76   4.88   5.91   6.77   7.00   6.99
GDT RMS_ALL_AT  26.19  26.29  26.23  26.45  26.28  25.70  25.10  24.66  24.63  18.49  18.44  18.21  19.04  18.84  18.53  18.58  15.86  13.87  13.77  15.88

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  D   117_A      D   117_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  F   126_A      F   126_A
#   possible swapping detected:  F   131_A      F   131_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A    40.384     3    0.122   0.114    41.236    0.000    0.000
LGA    V     4_A      V     4_A    41.696     0    0.378   0.478    46.065    0.000    0.000
LGA    D     5_A      D     5_A    36.408     0    0.028   1.093    38.182    0.000    0.000
LGA    K     6_A      K     6_A    33.245     0    0.083   1.155    40.369    0.000    0.000
LGA    R     7_A      R     7_A    27.934     0    0.074   1.071    30.052    0.000    0.000
LGA    K     8_A      K     8_A    25.395     0    0.154   1.589    26.148    0.000    0.000
LGA    I     9_A      I     9_A    21.918     0    0.132   1.445    24.106    0.000    0.000
LGA    K    10_A      K    10_A    20.734     0    0.088   1.344    21.373    0.000    0.000
LGA    I    11_A      I    11_A    21.891     0    0.212   1.433    25.596    0.000    0.000
LGA    I    12_A      I    12_A    22.434     0    0.078   0.129    23.151    0.000    0.000
LGA    L    13_A      L    13_A    26.014     0    0.110   1.467    29.169    0.000    0.000
LGA    N    14_A      N    14_A    28.114     0    0.433   0.358    32.130    0.000    0.000
LGA    G    15_A      G    15_A    32.802     0    0.640   0.640    33.865    0.000    0.000
LGA    E    16_A      E    16_A    35.304     0    0.615   1.326    41.218    0.000    0.000
LGA    M    17_A      M    17_A    35.608     0    0.628   1.194    38.366    0.000    0.000
LGA    E    18_A      E    18_A    32.526     0    0.614   1.247    32.894    0.000    0.000
LGA    E    19_A      E    19_A    30.172     0    0.654   1.231    32.599    0.000    0.000
LGA    A    20_A      A    20_A    31.621     0    0.605   0.605    32.202    0.000    0.000
LGA    E    21_A      E    21_A    31.525     0    0.599   0.789    35.777    0.000    0.000
LGA    L    22_A      L    22_A    27.171     0    0.631   0.625    29.178    0.000    0.000
LGA    H    23_A      H    23_A    28.488     0    0.660   1.110    33.653    0.000    0.000
LGA    M    24_A      M    24_A    28.521     0    0.601   1.151    31.288    0.000    0.000
LGA    I    25_A      I    25_A    30.841     0    0.604   0.814    32.981    0.000    0.000
LGA    T    26_A      T    26_A    29.195     0    0.596   0.606    33.003    0.000    0.000
LGA    S    27_A      S    27_A    32.708     0    0.598   1.005    34.698    0.000    0.000
LGA    P    28_A      P    28_A    34.046     0    0.626   0.898    35.558    0.000    0.000
LGA    N    29_A      N    29_A    33.466     0    0.427   1.392    38.633    0.000    0.000
LGA    R    30_A      R    30_A    31.933     0    0.631   1.082    33.302    0.000    0.000
LGA    H    31_A      H    31_A    34.189     0    0.601   1.053    39.219    0.000    0.000
LGA    C    32_A      C    32_A    34.156     0    0.631   0.600    34.308    0.000    0.000
LGA    C    33_A      C    33_A    33.593     0    0.020   0.047    34.598    0.000    0.000
LGA    L    34_A      L    34_A    30.840     0    0.088   0.873    31.377    0.000    0.000
LGA    K    35_A      K    35_A    31.410     0    0.162   1.233    40.417    0.000    0.000
LGA    I    36_A      I    36_A    29.819     0    0.098   0.996    30.611    0.000    0.000
LGA    F    37_A      F    37_A    32.589     0    0.104   1.603    35.550    0.000    0.000
LGA    H    38_A      H    38_A    32.477     0    0.630   0.959    34.621    0.000    0.000
LGA    N    39_A      N    39_A    38.510     0    0.359   1.073    41.851    0.000    0.000
LGA    N    40_A      N    40_A    38.617     0    0.062   0.888    39.656    0.000    0.000
LGA    N    41_A      N    41_A    38.809     0    0.328   1.070    38.943    0.000    0.000
LGA    Q    42_A      Q    42_A    38.260     0    0.421   1.327    39.797    0.000    0.000
LGA    L    43_A      L    43_A    39.388     0    0.646   0.684    43.670    0.000    0.000
LGA    A    44_A      A    44_A    36.745     0    0.102   0.096    37.839    0.000    0.000
LGA    E    45_A      E    45_A    36.759     0    0.126   1.224    42.512    0.000    0.000
LGA    S    46_A      S    46_A    36.663     0    0.363   0.850    36.663    0.000    0.000
LGA    N    47_A      N    47_A    36.091     0    0.151   0.824    42.465    0.000    0.000
LGA    D    48_A      D    48_A    32.992     0    0.118   1.311    35.356    0.000    0.000
LGA    T    49_A      T    49_A    28.998     0    0.288   0.412    33.058    0.000    0.000
LGA    D    50_A      D    50_A    23.872     0    0.617   0.878    25.292    0.000    0.000
LGA    Y    51_A      Y    51_A    21.354     0    0.176   0.437    22.928    0.000    0.000
LGA    F    52_A      F    52_A    22.706     0    0.054   1.444    26.012    0.000    0.000
LGA    S    53_A      S    53_A    28.665     0    0.049   0.060    30.681    0.000    0.000
LGA    C    54_A      C    54_A    28.479     0    0.066   0.096    29.441    0.000    0.000
LGA    F    55_A      F    55_A    26.158     0    0.029   1.500    28.650    0.000    0.000
LGA    A    56_A      A    56_A    30.291     0    0.042   0.040    33.221    0.000    0.000
LGA    D    57_A      D    57_A    34.320     0    0.085   0.911    39.040    0.000    0.000
LGA    L    58_A      L    58_A    32.514     0    0.058   1.165    34.212    0.000    0.000
LGA    R    59_A      R    59_A    32.419     0    0.076   1.014    35.120    0.000    0.000
LGA    N    60_A      N    60_A    37.685     0    0.070   0.909    41.228    0.000    0.000
LGA    Q    61_A      Q    61_A    39.872     0    0.048   0.876    43.581    0.000    0.000
LGA    L    62_A      L    62_A    37.743     0    0.250   0.252    41.560    0.000    0.000
LGA    K    63_A      K    63_A    33.992     0    0.571   1.293    35.728    0.000    0.000
LGA    N    64_A      N    64_A    33.053     0    0.607   1.014    34.339    0.000    0.000
LGA    I    65_A      I    65_A    30.047     0    0.086   1.205    33.105    0.000    0.000
LGA    I    66_A      I    66_A    25.528     0    0.151   0.690    27.674    0.000    0.000
LGA    F    67_A      F    67_A    22.045     0    0.076   0.857    26.966    0.000    0.000
LGA    L    68_A      L    68_A    21.058     0    0.378   1.084    25.772    0.000    0.000
LGA    C    69_A      C    69_A    15.477     0    0.084   0.172    17.191    0.000    0.000
LGA    K    70_A      K    70_A    13.727     0    0.601   1.157    20.618    0.000    0.000
LGA    G    71_A      G    71_A     9.941     0    0.094   0.094    11.607    0.119    0.119
LGA    A    72_A      A    72_A    15.947     0    0.199   0.204    18.075    0.000    0.000
LGA    K    73_A      K    73_A    17.508     0    0.272   0.606    23.525    0.000    0.000
LGA    I    74_A      I    74_A    17.316     0    0.100   1.302    20.567    0.000    0.000
LGA    N    75_A      N    75_A    18.539     0    0.273   1.174    21.214    0.000    0.000
LGA    V    76_A      V    76_A    14.264     0    0.629   0.574    15.881    0.000    0.000
LGA    Y    77_A      Y    77_A    10.730     0    0.658   1.443    15.332    0.119    0.040
LGA    P    78_A      P    78_A    12.465     0    0.599   0.692    15.898    0.000    0.000
LGA    S    79_A      S    79_A    16.222     0    0.574   0.750    17.222    0.000    0.000
LGA    A    80_A      A    80_A    16.858     0    0.030   0.028    17.895    0.000    0.000
LGA    M    81_A      M    81_A    16.407     0    0.036   0.940    20.548    0.000    0.000
LGA    S    82_A      S    82_A    16.713     0    0.044   0.097    19.122    0.000    0.000
LGA    R    83_A      R    83_A    20.018     0    0.050   1.124    24.125    0.000    0.000
LGA    D    84_A      D    84_A    22.195     0    0.086   1.258    25.096    0.000    0.000
LGA    M    85_A      M    85_A    23.417     0    0.040   0.665    25.495    0.000    0.000
LGA    S    86_A      S    86_A    23.478     0    0.273   0.290    25.869    0.000    0.000
LGA    D    87_A      D    87_A    27.280     0    0.398   1.230    29.391    0.000    0.000
LGA    G    88_A      G    88_A    25.143     0    0.131   0.131    25.525    0.000    0.000
LGA    I    89_A      I    89_A    21.153     0    0.669   1.114    22.851    0.000    0.000
LGA    V    90_A      V    90_A    17.215     0    0.093   1.070    19.361    0.000    0.000
LGA    A    91_A      A    91_A    10.889     0    0.287   0.383    13.033    0.714    0.571
LGA    Y    92_A      Y    92_A     6.120     0    0.076   1.228    17.460   35.476   12.698
LGA    E    93_A      E    93_A     3.040     0    0.092   1.534     8.456   34.048   26.508
LGA    T    94_A      T    94_A     7.011     0    0.117   1.062     9.631    9.524   17.143
LGA    T    95_A      T    95_A    14.159     0    0.075   0.085    18.595    0.000    0.000
LGA    L    96_A      L    96_A    18.003     0    0.117   1.345    21.562    0.000    0.000
LGA    G    97_A      G    97_A    22.994     0    0.678   0.678    24.080    0.000    0.000
LGA    Q    98_A      Q    98_A    24.936     0    0.598   0.897    30.528    0.000    0.000
LGA    P    99_A      P    99_A    25.258     0    0.480   0.609    27.956    0.000    0.000
LGA    G   100_A      G   100_A    21.250     0    0.140   0.140    23.160    0.000    0.000
LGA    L   101_A      L   101_A    24.421     0    0.133   0.135    30.170    0.000    0.000
LGA    P   102_A      P   102_A    23.743     0    0.076   0.078    27.997    0.000    0.000
LGA    E   103_A      E   103_A    22.877     0    0.175   1.310    29.578    0.000    0.000
LGA    N   104_A      N   104_A    17.151     0    0.205   1.126    21.658    0.000    0.000
LGA    Q   105_A      Q   105_A    13.302     0    0.582   0.535    18.579    0.000    0.000
LGA    V   106_A      V   106_A    11.893     0    0.610   1.463    12.847    0.000    0.000
LGA    H   107_A      H   107_A    10.214     0    0.642   1.128    14.514    4.286    1.714
LGA    I   108_A      I   108_A     4.954     0    0.213   1.218     6.689   20.833   27.560
LGA    F   109_A      F   109_A     9.037     0    0.231   1.091    15.468    2.976    1.082
LGA    D   110_A      D   110_A     9.556     0    0.618   1.288    13.767    3.452    1.726
LGA    F   111_A      F   111_A     5.036     0    0.583   0.589     7.736   26.548   23.420
LGA    E   112_A      E   112_A     5.672     0    0.690   1.152     9.629   14.524   18.148
LGA    D   113_A      D   113_A     7.293     0    0.264   1.161     9.645   17.500    9.524
LGA    K   114_A      K   114_A     3.406     0    0.477   0.968    10.544   56.905   34.656
LGA    Y   115_A      Y   115_A     2.243     0    0.363   1.339    10.430   57.262   35.913
LGA    V   116_A      V   116_A     3.673     0    0.772   1.502     7.754   53.690   41.633
LGA    D   117_A      D   117_A     3.091     0    0.479   0.715     5.219   42.381   47.143
LGA    I   118_A      I   118_A     3.277     0    0.361   1.527     7.017   53.690   38.155
LGA    T   119_A      T   119_A     2.669     0    0.615   1.433     7.570   63.214   42.789
LGA    P   120_A      P   120_A     1.377     0    0.013   0.074     2.168   83.690   77.959
LGA    E   121_A      E   121_A     1.790     0    0.049   0.246     4.934   79.405   58.201
LGA    E   122_A      E   122_A     1.493     0    0.011   0.984     2.636   85.952   73.386
LGA    Q   123_A      Q   123_A     0.962     0    0.045   1.248     2.993   90.476   81.852
LGA    R   124_A      R   124_A     1.384     0    0.050   0.978     5.383   83.690   68.485
LGA    K   125_A      K   125_A     1.554     0    0.035   1.250     8.045   79.286   56.931
LGA    F   126_A      F   126_A     1.023     0    0.027   0.133     2.245   88.214   77.013
LGA    H   127_A      H   127_A     0.903     0    0.053   0.185     2.723   90.476   75.905
LGA    S   128_A      S   128_A     1.389     0    0.028   0.683     4.554   83.690   71.825
LGA    Q   129_A      Q   129_A     1.637     0    0.013   0.776     4.487   77.143   63.069
LGA    W   130_A      W   130_A     1.218     0    0.044   0.108     2.945   83.690   69.218
LGA    F   131_A      F   131_A     0.669     0    0.030   1.262     4.468   88.214   71.255
LGA    E   132_A      E   132_A     1.974     0    0.114   1.241     9.376   70.952   43.175
LGA    S   133_A      S   133_A     2.497     0    0.151   0.741     2.668   60.952   60.952
LGA    L   134_A      L   134_A     3.138     0    0.155   1.398     4.268   50.119   53.036

# 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):    13.355         13.282                 13.977           12.827   10.476

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     23    2.41    17.992    15.631     0.918

LGA_LOCAL      RMSD:   2.406  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.662  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  13.355  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.273671 * X  +   0.628244 * Y  +   0.728295 * Z  +  -8.877486
  Y_new =   0.851012 * X  +  -0.511011 * Y  +   0.121026 * Z  +  22.253756
  Z_new =   0.448200 * X  +   0.586666 * Y  +  -0.674492 * Z  +  -0.515583 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.259658 -0.464751  2.425721   [DEG:   72.1731  -26.6283  138.9836 ]
ZXZ:  1.735468  2.311073  0.652387   [DEG:   99.4350  132.4147   37.3790 ]
 
# END of job
