
#######################################################
#                                                     #
#                        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  158 ( 1268),  selected  157 , name one
# Molecule2: number of CA atoms  157 ( 1259),  selected  157 , 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:    61      50_A - 110_A       4.95    20.02
  LCS_AVERAGE:     28.44

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      76_A - 107_A       1.69    17.84
  LCS_AVERAGE:     14.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      52_A - 73_A        0.94    21.70
  LCS_AVERAGE:      9.09

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  157
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     L     1_A     L     1_A      3   11   21      0    1   16   17   18   19   19   21   22   24   26   27   29   37   39   41   48   52   52   55 
LCS_GDT     S     2_A     S     2_A     10   15   21     10   10   16   17   18   19   19   21   22   24   26   29   35   37   40   42   48   52   59   62 
LCS_GDT     D     3_A     D     3_A     10   15   21     10   10   10   10   14   16   18   21   22   24   26   27   35   37   40   42   48   52   53   60 
LCS_GDT     R     4_A     R     4_A     10   15   21     10   10   10   10   14   15   18   21   21   24   25   26   35   37   40   42   48   52   53   60 
LCS_GDT     E     5_A     E     5_A     10   15   21     10   10   10   10   14   15   18   21   23   25   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     L     6_A     L     6_A     10   15   21     10   10   10   10   15   18   20   21   23   25   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     E     7_A     E     7_A     10   15   21     10   10   10   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     A     8_A     A     8_A     10   15   21     10   10   10   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     S     9_A     S     9_A     10   15   21     10   10   10   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     L    10_A     L    10_A     10   15   21     10   10   10   10   14   15   17   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     Q    11_A     Q    11_A     10   15   37     10   10   10   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     A    12_A     A    12_A      7   15   37      4    7    8   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     F    13_A     F    13_A      7   15   37      4    7    8   10   14   15   18   22   27   30   32   32   35   37   40   42   48   52   59   63 
LCS_GDT     F    14_A     F    14_A      7   15   37      4    7    8   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     E    15_A     E    15_A      7   15   37      4    7    8   10   14   15   18   21   22   24   26   29   35   37   40   42   48   52   59   63 
LCS_GDT     V    16_A     V    16_A      8   15   37      4    7    8    9   12   15   21   27   29   31   32   32   34   37   40   42   48   52   59   63 
LCS_GDT     H    17_A     H    17_A     10   13   37      3   10   11   17   18   24   27   29   29   31   32   32   33   35   39   39   48   52   53   60 
LCS_GDT     T    18_A     T    18_A     10   13   37      4   10   11   14   17   18   20   24   28   31   32   32   33   35   36   41   48   52   56   60 
LCS_GDT     R    19_A     R    19_A     10   13   37      5   10   15   17   19   25   27   29   29   31   32   32   33   35   37   41   46   50   56   60 
LCS_GDT     L    20_A     L    20_A     10   13   37      5   10   10   17   21   25   27   29   29   31   32   32   33   35   37   41   46   50   56   60 
LCS_GDT     V    21_A     V    21_A     10   13   37      5   10   10   17   21   25   27   29   29   31   32   32   33   35   37   42   48   52   56   60 
LCS_GDT     H    22_A     H    22_A     10   13   37      5   10   10   17   19   25   27   29   29   31   32   32   33   36   40   42   48   52   56   60 
LCS_GDT     R    23_A     R    23_A     10   13   37      5   10   10   17   21   25   27   29   29   31   32   32   33   35   37   42   48   52   56   60 
LCS_GDT     L    24_A     L    24_A     10   13   37      5   10   10   12   17   25   27   29   29   31   32   32   33   35   40   42   48   52   56   60 
LCS_GDT     A    25_A     A    25_A     10   13   37      5   10   10   12   13   25   27   29   29   31   32   32   33   38   40   42   48   52   56   60 
LCS_GDT     G    26_A     G    26_A     10   20   37      5   10   10   12   21   25   27   29   29   31   32   32   33   38   40   42   48   52   56   60 
LCS_GDT     I    27_A     I    27_A      8   20   37      3    5    9   13   21   25   27   29   29   31   32   32   33   38   40   42   48   52   56   60 
LCS_GDT     E    28_A     E    28_A      8   20   37      3    5    9   13   21   25   27   29   29   31   32   32   33   35   38   42   48   52   56   60 
LCS_GDT     P    29_A     P    29_A      4   20   37      3    4    5    8    8   25   26   29   29   31   32   32   33   35   36   40   46   51   55   60 
LCS_GDT     D    30_A     D    30_A      5   20   37      3    4    9   12   18   25   27   29   29   31   32   32   33   38   40   42   48   52   56   60 
LCS_GDT     P    31_A     P    31_A     15   20   37      3    8   14   17   21   25   27   29   29   31   32   32   33   35   36   40   46   51   56   60 
LCS_GDT     R    32_A     R    32_A     15   20   37      6   13   15   17   21   25   27   29   29   31   32   32   34   38   40   42   48   52   56   60 
LCS_GDT     F    33_A     F    33_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     E    34_A     E    34_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     I    35_A     I    35_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     L    36_A     L    36_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     D    37_A     D    37_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     K    38_A     K    38_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     Y    39_A     Y    39_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   60 
LCS_GDT     I    40_A     I    40_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   34   37   39   42   48   52   59   63 
LCS_GDT     F    41_A     F    41_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   37   40   42   48   52   59   63 
LCS_GDT     R    42_A     R    42_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   38   40   42   48   52   56   63 
LCS_GDT     Q    43_A     Q    43_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   37   40   42   48   52   59   63 
LCS_GDT     I    44_A     I    44_A     15   20   37      7   13   15   17   21   25   27   29   29   31   32   32   35   37   40   42   48   52   59   63 
LCS_GDT     V    45_A     V    45_A     15   20   37      3   13   15   17   21   25   27   29   29   31   32   32   33   35   39   41   48   52   59   63 
LCS_GDT     A    46_A     A    46_A     15   20   37      3    5   14   17   19   24   27   29   29   31   32   32   33   35   36   42   48   52   59   63 
LCS_GDT     D    47_A     D    47_A      3   16   39      0    3    3    5    8   11   14   21   25   30   31   32   35   37   40   43   48   52   59   63 
LCS_GDT     N    48_A     N    48_A      4    5   58      3    4    4    5    7   10   14   21   24   26   30   35   39   41   44   53   57   60   64   64 
LCS_GDT     P    49_A     P    49_A      4    5   60      3    4    4    5    6    9   14   24   31   35   38   43   46   51   55   59   61   62   64   64 
LCS_GDT     E    50_A     E    50_A      4   27   61      3    4    4    5   13   22   26   31   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     E    51_A     E    51_A     16   27   61      6   11   12   18   24   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R    52_A     R    52_A     22   27   61      7   13   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     E    53_A     E    53_A     22   27   61      6   11   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     K    54_A     K    54_A     22   27   61      6   13   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     I    55_A     I    55_A     22   27   61      6   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R    56_A     R    56_A     22   27   61     12   19   21   23   25   28   31   33   36   41   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     L    57_A     L    57_A     22   27   61      9   19   21   23   25   28   31   33   35   39   45   50   52   54   58   59   61   62   64   64 
LCS_GDT     D    58_A     D    58_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     Y    59_A     Y    59_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     G    60_A     G    60_A     22   27   61     13   19   21   23   25   28   31   33   35   40   45   50   52   54   58   59   61   62   64   64 
LCS_GDT     R    61_A     R    61_A     22   27   61     13   19   21   23   25   28   31   33   35   38   45   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    62_A     A    62_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    63_A     A    63_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     E    64_A     E    64_A     22   27   61      7   19   21   23   25   28   31   33   35   39   45   50   52   54   58   59   61   62   64   64 
LCS_GDT     I    65_A     I    65_A     22   27   61     12   19   21   23   25   28   31   33   35   40   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     F    66_A     F    66_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R    67_A     R    67_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     D    68_A     D    68_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    69_A     A    69_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     L    70_A     L    70_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    71_A     A    71_A     22   27   61     12   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R    72_A     R    72_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     D    73_A     D    73_A     22   27   61     13   19   21   23   25   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     I    74_A     I    74_A      3   27   61      1    3    4   10   24   28   31   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     T    75_A     T    75_A      3   27   61      1    3   20   23   24   25   31   33   35   41   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     T    76_A     T    76_A     13   32   61      3   11   12   28   29   32   32   33   34   36   42   47   51   54   58   59   61   62   64   64 
LCS_GDT     P    77_A     P    77_A     13   32   61      6   11   12   15   26   32   32   33   35   41   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     E    78_A     E    78_A     13   32   61      6   11   13   25   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    79_A     A    79_A     13   32   61      6   11   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     F    80_A     F    80_A     13   32   61      6   11   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     N    81_A     N    81_A     13   32   61      6   11   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    82_A     A    82_A     13   32   61      9   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     Y    83_A     Y    83_A     13   32   61      9   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     L    84_A     L    84_A     13   32   61      6   11   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     E    85_A     E    85_A     13   32   61      9   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     A    86_A     A    86_A     13   32   61      6   11   20   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     L    87_A     L    87_A     13   32   61      3    8   16   23   26   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     G    88_A     G    88_A     13   32   61      3    8   13   23   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     P    89_A     P    89_A     15   32   61      4    8   19   28   29   32   32   33   34   38   44   49   52   54   58   59   61   62   64   64 
LCS_GDT     D    90_A     D    90_A     18   32   61      9   15   21   28   29   32   32   33   34   37   39   44   46   51   55   58   61   62   64   64 
LCS_GDT     A    91_A     A    91_A     18   32   61      4   10   21   28   29   32   32   33   34   37   40   44   50   53   58   59   61   62   64   64 
LCS_GDT     V    92_A     V    92_A     18   32   61      4   12   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R    93_A     R    93_A     18   32   61      9   15   21   28   29   32   32   33   34   38   43   49   52   54   58   59   61   62   64   64 
LCS_GDT     T    94_A     T    94_A     18   32   61      9   15   21   28   29   32   32   33   34   37   41   46   51   54   58   59   61   62   64   64 
LCS_GDT     V    95_A     V    95_A     18   32   61      9   15   21   28   29   32   32   33   35   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     Q    96_A     Q    96_A     18   32   61      9   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     D    97_A     D    97_A     18   32   61      8   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     L    98_A     L    98_A     18   32   61      9   15   21   28   29   32   32   33   35   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     T    99_A     T    99_A     18   32   61      8   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R   100_A     R   100_A     18   32   61      8   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     R   101_A     R   101_A     18   32   61      8   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     F   102_A     F   102_A     18   32   61      8   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     V   103_A     V   103_A     18   32   61      5   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     D   104_A     D   104_A     18   32   61      8   15   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     V   105_A     V   105_A     18   32   61      8   14   21   28   29   32   32   33   36   42   46   50   52   54   58   59   61   62   64   64 
LCS_GDT     I   106_A     I   106_A     18   32   61      7   14   21   28   29   32   32   33   34   37   41   46   51   54   58   59   61   62   64   64 
LCS_GDT     R   107_A     R   107_A     18   32   61      5   11   21   28   29   32   32   33   34   38   44   49   52   54   58   59   61   62   64   64 
LCS_GDT     A   108_A     A   108_A      4   19   61      3    4    4    7   10   13   14   19   30   34   38   44   48   52   56   58   61   62   64   64 
LCS_GDT     D   109_A     D   109_A     10   13   61      3   10   10   12   12   13   13   14   16   28   33   41   49   53   58   59   61   62   64   64 
LCS_GDT     P   110_A     P   110_A     10   13   61      3   10   10   12   14   15   21   23   23   29   34   42   49   53   58   59   61   62   64   64 
LCS_GDT     E   111_A     E   111_A     10   13   46      7   11   15   18   19   21   21   23   23   25   26   27   31   33   36   39   45   50   60   64 
LCS_GDT     A   112_A     A   112_A     10   13   40      7   10   10   16   18   21   21   23   23   23   24   26   28   31   33   37   42   50   60   64 
LCS_GDT     I   113_A     I   113_A     10   13   34      7   10   12   17   19   21   21   23   23   26   29   30   33   40   47   56   60   61   64   64 
LCS_GDT     A   114_A     A   114_A     10   13   34      7   10   10   12   12   13   19   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     K   115_A     K   115_A     10   13   34      7   10   10   12   12   13   13   14   22   23   29   31   34   36   38   41   45   49   52   55 
LCS_GDT     L   116_A     L   116_A     10   13   34      7   10   10   12   12   13   13   18   22   23   26   26   30   35   35   38   45   49   52   55 
LCS_GDT     L   117_A     L   117_A     10   16   34      7   10   10   12   12   14   16   21   23   26   28   31   34   37   39   41   45   49   52   55 
LCS_GDT     N   118_A     N   118_A     10   22   34      5   10   10   12   12   14   16   21   23   26   28   31   34   37   39   41   45   49   52   55 
LCS_GDT     I   119_A     I   119_A     12   22   34      3    6    9   12   18   20   22   22   23   26   28   30   34   37   39   41   43   49   52   55 
LCS_GDT     S   120_A     S   120_A     14   22   34      4    8   14   17   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     K   121_A     K   121_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     E   122_A     E   122_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   43   49   52   55 
LCS_GDT     D   123_A     D   123_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   42   48   52   52   58 
LCS_GDT     V   124_A     V   124_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   42   48   52   53   59 
LCS_GDT     Q   125_A     Q   125_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   53   59 
LCS_GDT     G   126_A     G   126_A     16   22   34      4   12   16   18   19   21   22   22   24   26   32   38   40   41   42   46   48   55   59   63 
LCS_GDT     L   127_A     L   127_A     16   22   34      4   12   16   18   19   21   22   22   24   29   35   38   40   41   46   50   54   57   59   63 
LCS_GDT     A   128_A     A   128_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   40   42   43   47   50   59   63 
LCS_GDT     R   129_A     R   129_A     16   22   34      5   12   16   18   19   21   22   22   24   26   29   31   37   40   42   44   47   50   55   63 
LCS_GDT     A   130_A     A   130_A     16   22   34      5   12   16   18   19   21   22   23   29   34   36   40   41   42   44   51   54   55   59   63 
LCS_GDT     G   131_A     G   131_A     16   22   34      5   12   16   18   19   21   22   22   24   26   29   31   41   41   44   46   47   51   57   63 
LCS_GDT     E   132_A     E   132_A     16   22   34      5   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     A   133_A     A   133_A     16   22   34      5   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     A   134_A     A   134_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     I   135_A     I   135_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     E   136_A     E   136_A     16   22   34      4   12   16   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     R   137_A     R   137_A     14   22   34      3    4   12   18   19   21   22   22   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     G   138_A     G   138_A     10   22   34      3    8   15   18   19   20   22   22   23   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     E   139_A     E   139_A      4   22   34      3    4    5   10   18   21   22   23   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     G   140_A     G   140_A     17   19   34      3    4   13   18   19   21   21   23   24   26   29   30   34   37   39   41   45   49   52   55 
LCS_GDT     A   141_A     A   141_A     17   19   34      5   12   16   18   19   21   21   23   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     S   142_A     S   142_A     17   19   34      5   12   16   18   19   21   21   23   24   26   29   31   34   37   39   41   45   49   52   55 
LCS_GDT     L   143_A     L   143_A     17   19   34      7   13   16   18   19   21   21   23   23   25   27   31   34   37   39   41   45   49   52   55 
LCS_GDT     G   144_A     G   144_A     17   19   34      7   13   16   18   19   21   21   23   23   25   25   31   34   37   39   41   45   49   52   55 
LCS_GDT     V   145_A     V   145_A     17   19   34      7   13   16   18   19   21   21   23   23   25   27   31   34   37   39   41   45   49   52   55 
LCS_GDT     L   146_A     L   146_A     17   19   34      7   13   16   18   19   21   21   23   23   25   27   31   34   37   39   41   45   49   52   55 
LCS_GDT     R   147_A     R   147_A     17   19   34      7   13   16   18   19   21   21   23   23   25   25   27   33   36   39   41   45   49   52   55 
LCS_GDT     E   148_A     E   148_A     17   19   33      7   13   16   18   19   21   21   23   23   25   25   27   31   33   39   41   45   49   52   55 
LCS_GDT     L   149_A     L   149_A     17   19   33      7   13   16   18   19   21   21   23   23   25   25   27   31   36   39   41   45   49   52   55 
LCS_GDT     R   150_A     R   150_A     17   19   31      7   13   16   18   19   21   21   23   23   25   25   27   31   33   39   41   45   49   52   55 
LCS_GDT     K   151_A     K   151_A     17   19   31      7   13   16   18   19   21   21   23   23   25   25   27   31   33   37   41   45   49   52   55 
LCS_GDT     I   152_A     I   152_A     17   19   31      7   13   16   18   19   21   21   23   23   25   25   27   31   33   36   41   45   49   52   55 
LCS_GDT     E   153_A     E   153_A     17   19   31      7   13   16   18   19   21   21   23   23   25   25   27   31   33   37   41   45   49   52   55 
LCS_GDT     K   154_A     K   154_A     17   19   31      7   13   15   18   19   21   21   23   23   25   25   27   31   33   36   41   45   47   51   55 
LCS_GDT     K   155_A     K   155_A     17   19   31      4   13   16   18   19   21   21   23   23   25   25   27   31   33   36   39   44   47   50   55 
LCS_GDT     R   156_A     R   156_A     17   19   31      4    4   15   18   19   21   21   23   23   25   25   27   31   33   37   41   45   47   52   55 
LCS_GDT     N   157_A     N   157_A      5   19   31      3    3    5   17   18   21   21   23   23   25   25   27   28   32   35   39   43   47   49   55 
LCS_AVERAGE  LCS_A:  17.23  (   9.09   14.16   28.44 )

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     13     19     21     28     29     32     32     33     36     42     46     50     52     54     58     59     61     62     64     64 
GDT PERCENT_AT   8.28  12.10  13.38  17.83  18.47  20.38  20.38  21.02  22.93  26.75  29.30  31.85  33.12  34.39  36.94  37.58  38.85  39.49  40.76  40.76
GDT RMS_LOCAL    0.37   0.54   0.83   1.36   1.42   1.69   1.69   2.26   3.17   3.59   3.78   3.91   4.11   4.28   4.65   4.73   5.00   5.09   5.43   5.43
GDT RMS_ALL_AT  21.55  21.60  21.69  17.84  17.81  17.84  17.84  21.38  20.82  20.30  20.35  20.69  20.61  20.43  20.23  20.18  19.96  19.90  19.76  19.76

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  F    33_A      F    33_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  E   148_A      E   148_A
#   possible swapping detected:  E   153_A      E   153_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     1_A      L     1_A    30.619     0    0.487   1.381    32.857    0.000    0.000
LGA    S     2_A      S     2_A    30.793     0    0.597   0.566    30.793    0.000    0.000
LGA    D     3_A      D     3_A    29.268     0    0.036   1.173    30.042    0.000    0.000
LGA    R     4_A      R     4_A    33.143     0    0.058   1.199    37.067    0.000    0.000
LGA    E     5_A      E     5_A    31.629     0    0.038   0.367    35.802    0.000    0.000
LGA    L     6_A      L     6_A    25.729     0    0.058   1.377    27.867    0.000    0.000
LGA    E     7_A      E     7_A    26.882     0    0.049   0.751    29.523    0.000    0.000
LGA    A     8_A      A     8_A    30.800     0    0.024   0.023    32.960    0.000    0.000
LGA    S     9_A      S     9_A    27.446     0    0.107   0.752    28.449    0.000    0.000
LGA    L    10_A      L    10_A    22.872     0    0.305   0.281    24.497    0.000    0.000
LGA    Q    11_A      Q    11_A    26.326     0    0.041   1.501    27.818    0.000    0.000
LGA    A    12_A      A    12_A    25.604     0    0.079   0.080    25.721    0.000    0.000
LGA    F    13_A      F    13_A    22.153     0    0.140   0.937    23.248    0.000    0.000
LGA    F    14_A      F    14_A    23.026     0    0.157   0.722    23.917    0.000    0.000
LGA    E    15_A      E    15_A    25.992     0    0.545   1.228    28.447    0.000    0.000
LGA    V    16_A      V    16_A    24.498     0    0.440   1.062    26.526    0.000    0.000
LGA    H    17_A      H    17_A    23.147     0    0.177   1.453    24.514    0.000    0.000
LGA    T    18_A      T    18_A    28.634     0    0.076   0.981    32.690    0.000    0.000
LGA    R    19_A      R    19_A    30.218     0    0.037   1.367    36.565    0.000    0.000
LGA    L    20_A      L    20_A    24.145     0    0.081   0.931    26.043    0.000    0.000
LGA    V    21_A      V    21_A    25.085     0    0.064   0.185    27.660    0.000    0.000
LGA    H    22_A      H    22_A    31.400     0    0.080   0.154    36.838    0.000    0.000
LGA    R    23_A      R    23_A    29.069     0    0.069   1.312    29.575    0.000    0.000
LGA    L    24_A      L    24_A    25.539     0    0.069   1.178    28.109    0.000    0.000
LGA    A    25_A      A    25_A    31.442     0    0.187   0.183    34.769    0.000    0.000
LGA    G    26_A      G    26_A    34.856     0    0.377   0.377    39.226    0.000    0.000
LGA    I    27_A      I    27_A    39.796     0    0.139   1.054    41.283    0.000    0.000
LGA    E    28_A      E    28_A    42.739     0    0.402   0.884    45.615    0.000    0.000
LGA    P    29_A      P    29_A    41.073     0    0.251   0.694    41.478    0.000    0.000
LGA    D    30_A      D    30_A    41.939     0    0.594   0.963    45.589    0.000    0.000
LGA    P    31_A      P    31_A    41.035     0    0.138   0.159    45.378    0.000    0.000
LGA    R    32_A      R    32_A    39.229     0    0.129   1.057    44.743    0.000    0.000
LGA    F    33_A      F    33_A    34.060     0    0.103   1.410    36.527    0.000    0.000
LGA    E    34_A      E    34_A    32.390     0    0.051   0.853    36.961    0.000    0.000
LGA    I    35_A      I    35_A    33.678     0    0.092   0.114    39.987    0.000    0.000
LGA    L    36_A      L    36_A    30.088     0    0.048   1.393    33.410    0.000    0.000
LGA    D    37_A      D    37_A    25.387     0    0.052   1.357    27.284    0.000    0.000
LGA    K    38_A      K    38_A    26.419     0    0.043   0.116    34.967    0.000    0.000
LGA    Y    39_A      Y    39_A    26.181     0    0.044   1.370    28.491    0.000    0.000
LGA    I    40_A      I    40_A    21.800     0    0.075   0.221    23.828    0.000    0.000
LGA    F    41_A      F    41_A    19.193     0    0.055   1.446    21.815    0.000    0.000
LGA    R    42_A      R    42_A    21.055     0    0.070   1.142    28.051    0.000    0.000
LGA    Q    43_A      Q    43_A    19.360     0    0.081   0.915    25.068    0.000    0.000
LGA    I    44_A      I    44_A    16.003     0    0.214   1.618    17.160    0.000    0.000
LGA    V    45_A      V    45_A    14.630     0    0.101   0.135    17.410    0.000    0.000
LGA    A    46_A      A    46_A    17.253     0    0.647   0.612    19.801    0.000    0.000
LGA    D    47_A      D    47_A    17.499     0    0.302   1.268    20.971    0.000    0.000
LGA    N    48_A      N    48_A    13.887     0    0.458   0.989    16.310    0.000    0.000
LGA    P    49_A      P    49_A    13.031     0    0.088   0.656    16.710    0.000    0.000
LGA    E    50_A      E    50_A     6.740     0    0.129   1.002    12.171   24.048   12.593
LGA    E    51_A      E    51_A     3.533     0    0.507   1.113     5.294   49.881   62.698
LGA    R    52_A      R    52_A     2.551     0    0.057   1.597    11.768   65.000   32.727
LGA    E    53_A      E    53_A     1.394     0    0.033   1.666     7.844   86.190   55.026
LGA    K    54_A      K    54_A     1.034     0    0.055   0.824     4.232   83.690   73.016
LGA    I    55_A      I    55_A     1.025     0    0.077   0.255     2.377   88.214   81.667
LGA    R    56_A      R    56_A     1.527     0    0.066   1.196     7.470   79.286   47.229
LGA    L    57_A      L    57_A     1.998     0    0.097   0.976     6.052   70.833   51.726
LGA    D    58_A      D    58_A     1.756     0    0.062   0.884     3.298   77.143   70.119
LGA    Y    59_A      Y    59_A     0.346     0    0.051   1.021     6.324   92.857   64.643
LGA    G    60_A      G    60_A     2.006     0    0.066   0.066     2.609   67.024   67.024
LGA    R    61_A      R    61_A     2.647     0    0.116   1.620     7.312   62.857   35.844
LGA    A    62_A      A    62_A     1.365     0    0.042   0.048     1.563   83.810   81.619
LGA    A    63_A      A    63_A     0.546     0    0.064   0.068     1.354   92.857   90.571
LGA    E    64_A      E    64_A     2.143     0    0.067   0.194     4.391   66.786   54.656
LGA    I    65_A      I    65_A     2.452     0    0.104   0.123     4.985   68.810   54.643
LGA    F    66_A      F    66_A     1.577     0    0.028   1.044     4.031   77.143   61.515
LGA    R    67_A      R    67_A     1.228     0    0.049   1.116     9.133   85.952   48.398
LGA    D    68_A      D    68_A     0.710     0    0.038   1.025     2.579   92.857   80.952
LGA    A    69_A      A    69_A     2.081     0    0.042   0.040     2.859   70.952   68.190
LGA    L    70_A      L    70_A     2.423     0    0.046   0.145     4.879   68.810   55.536
LGA    A    71_A      A    71_A     1.302     0    0.129   0.134     1.617   83.690   81.524
LGA    R    72_A      R    72_A     1.458     0    0.205   1.658     6.393   77.381   56.147
LGA    D    73_A      D    73_A     2.996     0    0.410   0.984     7.319   63.214   41.071
LGA    I    74_A      I    74_A     2.413     0    0.624   0.750     8.742   59.524   37.679
LGA    T    75_A      T    75_A     5.085     0    0.118   0.181     7.194   28.929   21.769
LGA    T    76_A      T    76_A     5.832     0    0.662   1.433     9.277   36.786   23.265
LGA    P    77_A      P    77_A     3.764     0    0.080   0.083     6.419   49.167   36.735
LGA    E    78_A      E    78_A     2.532     0    0.038   1.182     8.287   67.500   41.481
LGA    A    79_A      A    79_A     1.349     0    0.029   0.027     2.751   75.119   71.524
LGA    F    80_A      F    80_A     1.564     0    0.045   0.157     2.854   71.071   72.468
LGA    N    81_A      N    81_A     3.095     0    0.034   0.909     5.077   48.095   48.274
LGA    A    82_A      A    82_A     4.546     0    0.071   0.074     6.591   28.571   31.524
LGA    Y    83_A      Y    83_A     6.189     0    0.109   1.284     8.168   16.667   12.540
LGA    L    84_A      L    84_A     6.875     0    0.080   1.372     8.803   10.119   18.393
LGA    E    85_A      E    85_A     8.466     0    0.037   0.835    10.830    4.048    3.016
LGA    A    86_A      A    86_A     9.737     0    0.202   0.207    10.255    0.952    0.762
LGA    L    87_A      L    87_A     9.205     0    0.172   0.925    11.419    0.833    2.083
LGA    G    88_A      G    88_A    10.443     0    0.117   0.117    10.749    0.119    0.119
LGA    P    89_A      P    89_A    11.883     0    0.132   0.155    13.204    0.000    0.000
LGA    D    90_A      D    90_A    14.123     0    0.039   0.210    18.661    0.000    0.000
LGA    A    91_A      A    91_A    11.602     0    0.068   0.069    12.499    0.238    0.190
LGA    V    92_A      V    92_A     7.582     0    0.135   0.131     8.978    6.190    9.864
LGA    R    93_A      R    93_A     9.820     0    0.051   1.419    16.962    0.952    0.346
LGA    T    94_A      T    94_A     9.906     0    0.076   0.068    12.246    3.095    1.769
LGA    V    95_A      V    95_A     6.653     0    0.045   0.081     7.814   18.333   17.551
LGA    Q    96_A      Q    96_A     5.291     0    0.035   1.158    10.216   27.738   15.979
LGA    D    97_A      D    97_A     5.943     0    0.019   0.130     9.427   24.048   14.940
LGA    L    98_A      L    98_A     5.532     0    0.079   1.066    10.557   29.286   16.488
LGA    T    99_A      T    99_A     2.588     0    0.080   0.242     3.603   55.595   57.415
LGA    R   100_A      R   100_A     2.620     0    0.056   0.947     8.608   60.952   37.662
LGA    R   101_A      R   101_A     3.079     0    0.035   1.134     7.915   45.476   36.753
LGA    F   102_A      F   102_A     5.463     0    0.071   0.210     8.993   25.476   14.935
LGA    V   103_A      V   103_A     5.591     0    0.053   0.187     6.860   21.905   22.449
LGA    D   104_A      D   104_A     5.268     0    0.077   0.140     6.820   23.095   28.750
LGA    V   105_A      V   105_A     7.197     0    0.015   0.035     9.526    7.619    8.095
LGA    I   106_A      I   106_A    10.114     0    0.054   0.673    12.077    0.714    0.357
LGA    R   107_A      R   107_A    10.203     0    0.360   0.935    12.421    0.119    0.043
LGA    A   108_A      A   108_A    12.471     0    0.072   0.069    13.698    0.000    0.000
LGA    D   109_A      D   109_A     9.366     0    0.538   1.058    13.779    6.548    3.274
LGA    P   110_A      P   110_A     8.174     0    0.150   0.156    11.364    2.976    4.762
LGA    E   111_A      E   111_A    13.510     0    0.036   1.330    16.447    0.000    0.000
LGA    A   112_A      A   112_A    14.085     0    0.038   0.040    14.765    0.000    0.000
LGA    I   113_A      I   113_A    11.765     0    0.031   1.278    14.992    0.000    0.179
LGA    A   114_A      A   114_A    16.491     0    0.023   0.024    19.931    0.000    0.000
LGA    K   115_A      K   115_A    19.841     0    0.055   0.239    22.512    0.000    0.000
LGA    L   116_A      L   116_A    18.284     0    0.060   1.403    20.732    0.000    0.000
LGA    L   117_A      L   117_A    20.567     0    0.225   0.255    23.902    0.000    0.000
LGA    N   118_A      N   118_A    24.895     0    0.433   0.719    29.978    0.000    0.000
LGA    I   119_A      I   119_A    23.603     0    0.128   1.281    23.876    0.000    0.000
LGA    S   120_A      S   120_A    23.348     0    0.062   0.718    23.393    0.000    0.000
LGA    K   121_A      K   121_A    25.852     0    0.060   0.083    35.552    0.000    0.000
LGA    E   122_A      E   122_A    23.019     0    0.044   1.004    24.873    0.000    0.000
LGA    D   123_A      D   123_A    17.691     0    0.069   1.182    19.636    0.000    0.000
LGA    V   124_A      V   124_A    19.641     0    0.236   0.240    21.084    0.000    0.000
LGA    Q   125_A      Q   125_A    23.343     0    0.062   0.862    30.922    0.000    0.000
LGA    G   126_A      G   126_A    19.750     0    0.193   0.193    20.670    0.000    0.000
LGA    L   127_A      L   127_A    16.952     0    0.077   1.408    18.148    0.000    0.000
LGA    A   128_A      A   128_A    21.429     0    0.019   0.021    23.564    0.000    0.000
LGA    R   129_A      R   129_A    24.012     0    0.023   1.661    28.603    0.000    0.000
LGA    A   130_A      A   130_A    19.473     0    0.057   0.057    20.441    0.000    0.000
LGA    G   131_A      G   131_A    18.389     0    0.094   0.094    21.320    0.000    0.000
LGA    E   132_A      E   132_A    24.926     0    0.046   1.215    28.305    0.000    0.000
LGA    A   133_A      A   133_A    26.746     0    0.082   0.080    28.276    0.000    0.000
LGA    A   134_A      A   134_A    24.002     0    0.080   0.074    26.272    0.000    0.000
LGA    I   135_A      I   135_A    25.600     0    0.039   0.092    29.427    0.000    0.000
LGA    E   136_A      E   136_A    32.022     0    0.617   1.374    35.354    0.000    0.000
LGA    R   137_A      R   137_A    34.198     0    0.595   0.749    38.418    0.000    0.000
LGA    G   138_A      G   138_A    29.839     0    0.274   0.274    31.583    0.000    0.000
LGA    E   139_A      E   139_A    29.991     0    0.686   0.603    36.561    0.000    0.000
LGA    G   140_A      G   140_A    26.651     0    0.474   0.474    28.485    0.000    0.000
LGA    A   141_A      A   141_A    21.465     0    0.096   0.097    23.062    0.000    0.000
LGA    S   142_A      S   142_A    20.016     0    0.065   0.060    21.958    0.000    0.000
LGA    L   143_A      L   143_A    25.957     0    0.047   1.396    31.709    0.000    0.000
LGA    G   144_A      G   144_A    25.051     0    0.035   0.035    25.246    0.000    0.000
LGA    V   145_A      V   145_A    19.416     0    0.039   0.062    21.180    0.000    0.000
LGA    L   146_A      L   146_A    23.322     0    0.050   1.409    25.807    0.000    0.000
LGA    R   147_A      R   147_A    28.074     0    0.056   1.349    32.149    0.000    0.000
LGA    E   148_A      E   148_A    23.952     0    0.059   1.135    25.018    0.000    0.000
LGA    L   149_A      L   149_A    22.839     0    0.058   1.190    26.245    0.000    0.000
LGA    R   150_A      R   150_A    29.705     0    0.036   1.059    36.402    0.000    0.000
LGA    K   151_A      K   151_A    30.350     0    0.059   0.649    31.810    0.000    0.000
LGA    I   152_A      I   152_A    26.596     0    0.055   0.732    29.454    0.000    0.000
LGA    E   153_A      E   153_A    31.612     0    0.118   0.858    35.375    0.000    0.000
LGA    K   154_A      K   154_A    36.527     0    0.109   0.941    41.757    0.000    0.000
LGA    K   155_A      K   155_A    33.981     0    0.202   0.774    35.482    0.000    0.000
LGA    R   156_A      R   156_A    35.388     0    0.055   1.465    39.392    0.000    0.000
LGA    N   157_A      N   157_A    42.545     0    0.237   0.610    45.788    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      157     628    628  100.00    1259   1259  100.00               157
SUMMARY(RMSD_GDC):    16.521         16.529                 17.185           16.797   13.647

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  157    4.0     33    2.26    22.134    20.461     1.401

LGA_LOCAL      RMSD:   2.255  Number of atoms:   33  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.383  Number of assigned atoms:  157 
Std_ASGN_ATOMS RMSD:  16.521  Standard rmsd on all 157 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.101549 * X  +   0.415986 * Y  +   0.903683 * Z  + -48.995747
  Y_new =  -0.687214 * X  +  -0.627480 * Y  +   0.366068 * Z  +  32.751331
  Z_new =   0.719323 * X  +  -0.658197 * Y  +   0.222152 * Z  +  -6.845490 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.424089 -0.802827 -1.245286   [DEG:  -81.5943  -45.9986  -71.3497 ]
ZXZ:  1.955678  1.346775  2.311850   [DEG:  112.0521   77.1646  132.4593 ]
 
# END of job
