
#######################################################
#                                                     #
#                        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  164 ( 1284),  selected  151 , name one
# Molecule2: number of CA atoms  151 ( 1194),  selected  151 , 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:    46      31_A - 76_A        4.96    23.34
  LONGEST_CONTINUOUS_SEGMENT:    46      32_A - 77_A        4.93    23.42
  LCS_AVERAGE:     23.02

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      51_A - 75_A        1.94    21.44
  LONGEST_CONTINUOUS_SEGMENT:    25      52_A - 76_A        1.90    21.16
  LCS_AVERAGE:     12.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      57_A - 75_A        0.99    21.90
  LCS_AVERAGE:      9.55

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  151
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     Q    11_A     Q    11_A      3   19   23      3    3    5    9   16   17   19   21   22   24   26   31   34   39   42   46   50   53   61   63 
LCS_GDT     A    12_A     A    12_A     18   19   23      3    4    5   12   17   18   19   21   25   32   40   43   45   48   49   55   57   59   62   71 
LCS_GDT     V    13_A     V    13_A     18   19   23      3   11   17   17   17   18   19   21   22   25   34   38   39   43   49   55   57   60   69   74 
LCS_GDT     E    14_A     E    14_A     18   19   23     12   15   17   17   17   18   19   21   22   32   34   38   39   46   48   52   57   58   62   67 
LCS_GDT     D    15_A     D    15_A     18   19   23     12   15   17   17   17   18   19   21   25   32   34   38   45   48   49   55   57   60   69   74 
LCS_GDT     F    16_A     F    16_A     18   19   23     10   15   17   17   17   18   19   21   25   32   36   42   45   48   49   56   62   66   69   74 
LCS_GDT     L    17_A     L    17_A     18   19   23     12   15   17   17   17   18   24   28   34   37   40   43   45   48   48   55   57   60   69   72 
LCS_GDT     R    18_A     R    18_A     18   19   23     12   15   17   17   17   21   26   31   34   37   40   43   45   48   49   55   57   61   69   74 
LCS_GDT     V    19_A     V    19_A     18   19   23     12   15   17   17   17   21   26   31   34   37   40   43   45   48   54   58   63   66   69   74 
LCS_GDT     H    20_A     H    20_A     18   19   23     12   15   17   17   17   21   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     S    21_A     S    21_A     18   19   31     12   15   17   17   19   23   26   31   34   37   40   43   45   48   52   56   62   65   69   74 
LCS_GDT     E    22_A     E    22_A     18   19   31     12   15   17   17   21   23   26   31   34   37   40   43   45   52   54   58   63   66   69   74 
LCS_GDT     L    23_A     L    23_A     18   19   31     12   15   17   17   17   18   23   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     V    24_A     V    24_A     18   19   31      8   15   17   17   17   18   25   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     H    25_A     H    25_A     18   19   31      8   15   17   17   17   18   26   31   34   37   40   43   45   52   54   58   63   66   69   74 
LCS_GDT     R    26_A     R    26_A     18   19   31     12   15   17   17   17   18   19   22   31   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     L    27_A     L    27_A     18   19   31     12   15   17   17   17   18   19   21   25   34   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     A    28_A     A    28_A     18   19   31     12   15   17   17   18   20   23   24   26   34   40   43   45   48   49   56   58   65   69   74 
LCS_GDT     G    29_A     G    29_A     18   19   31      4   12   17   17   18   20   23   24   26   34   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     D    30_A     D    30_A      3   18   31      3    6    9   12   18   20   23   24   26   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     P    31_A     P    31_A      3    6   46      3    3    4    5    6    9   13   23   26   28   29   39   46   52   54   58   63   66   69   74 
LCS_GDT     P    32_A     P    32_A      3   20   46      3    3    4   11   17   20   23   24   26   31   37   40   46   51   54   58   63   66   69   74 
LCS_GDT     D    33_A     D    33_A     18   20   46     15   16   17   18   19   19   23   24   26   32   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     E    34_A     E    34_A     18   20   46     15   16   17   18   19   20   23   24   26   28   31   35   42   48   52   57   61   65   69   72 
LCS_GDT     L    35_A     L    35_A     18   20   46     15   16   17   18   19   19   23   24   26   28   29   37   46   52   54   58   63   66   69   74 
LCS_GDT     F    36_A     F    36_A     18   20   46     15   16   17   18   19   19   21   24   26   32   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     Q    37_A     Q    37_A     18   20   46     15   16   17   18   19   20   23   24   29   32   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     R    38_A     R    38_A     18   20   46     15   16   17   18   19   20   23   24   26   28   31   38   46   52   54   58   63   66   69   74 
LCS_GDT     L    39_A     L    39_A     18   20   46     15   16   17   18   19   19   23   24   26   29   33   40   46   52   54   58   63   66   69   74 
LCS_GDT     D    40_A     D    40_A     18   20   46     15   16   17   18   19   22   26   28   31   33   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     R    41_A     R    41_A     18   20   46     15   16   17   18   19   20   23   24   26   32   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     F    42_A     F    42_A     18   20   46     15   16   17   18   19   20   23   24   26   29   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     V    43_A     V    43_A     18   20   46     15   16   17   18   19   20   23   28   31   34   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     T    44_A     T    44_A     18   20   46     15   16   17   18   19   20   23   27   31   33   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     D    45_A     D    45_A     18   20   46     15   16   17   18   19   20   23   24   29   33   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     A    46_A     A    46_A     18   20   46     15   16   17   18   19   20   23   24   31   34   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     I    47_A     I    47_A     18   20   46     15   16   17   18   19   20   23   26   29   36   40   43   45   48   52   56   63   66   69   74 
LCS_GDT     I    48_A     I    48_A     18   20   46      4   16   17   18   19   20   23   24   26   28   29   31   46   52   54   58   63   66   69   74 
LCS_GDT     E    49_A     E    49_A     18   20   46      4   13   17   18   19   20   26   28   31   33   37   40   46   52   54   58   63   66   69   74 
LCS_GDT     G    50_A     G    50_A     18   20   46      3    9   17   18   19   20   23   26   31   37   40   43   45   48   54   58   63   66   69   74 
LCS_GDT     N    51_A     N    51_A      6   25   46      5    6    7   11   17   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     P    52_A     P    52_A      6   25   46      5    6    9   12   16   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     E    53_A     E    53_A      6   25   46      5    6    7   11   15   17   24   27   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     R    54_A     R    54_A     14   25   46      6   12   15   22   22   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     R    55_A     R    55_A     15   25   46      6   12   20   22   22   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     D    56_A     D    56_A     16   25   46      6   13   20   22   22   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     E    57_A     E    57_A     19   25   46      6   12   20   22   22   23   26   31   34   37   40   43   45   48   54   58   63   66   69   74 
LCS_GDT     I    58_A     I    58_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     K    59_A     K    59_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   46   52   54   58   63   66   69   74 
LCS_GDT     A    60_A     A    60_A     19   25   46      5   13   20   22   22   23   26   31   34   37   40   43   45   48   53   58   63   66   69   74 
LCS_GDT     D    61_A     D    61_A     19   25   46      5   13   20   22   22   23   26   31   34   37   40   43   45   48   52   57   63   66   69   74 
LCS_GDT     L    62_A     L    62_A     19   25   46      4   13   20   22   22   23   26   31   34   37   40   43   45   50   54   58   63   66   69   74 
LCS_GDT     A    63_A     A    63_A     19   25   46      4   12   18   22   22   23   26   28   33   36   40   43   45   48   53   58   63   66   69   74 
LCS_GDT     R    64_A     R    64_A     19   25   46      3   12   20   22   22   23   26   31   34   37   40   43   45   48   50   55   61   66   69   74 
LCS_GDT     A    65_A     A    65_A     19   25   46      5   13   20   22   22   23   26   31   34   37   40   43   45   48   52   57   62   66   69   74 
LCS_GDT     A    66_A     A    66_A     19   25   46      5   13   20   22   22   23   26   31   34   37   40   43   45   48   53   58   63   66   69   74 
LCS_GDT     R    67_A     R    67_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   45   48   49   55   59   66   69   74 
LCS_GDT     V    68_A     V    68_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   45   48   49   55   57   64   68   74 
LCS_GDT     F    69_A     F    69_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   45   48   53   57   62   66   69   74 
LCS_GDT     G    70_A     G    70_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   45   48   51   55   60   66   69   74 
LCS_GDT     E    71_A     E    71_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   45   48   49   55   57   60   65   71 
LCS_GDT     A    72_A     A    72_A     19   25   46      6   13   20   22   22   23   26   31   34   37   40   43   45   48   50   55   57   62   67   72 
LCS_GDT     L    73_A     L    73_A     19   25   46      5   12   20   22   22   23   26   30   34   37   40   43   45   48   52   57   61   66   69   74 
LCS_GDT     E    74_A     E    74_A     19   25   46      5   12   20   22   22   23   26   31   34   37   40   43   45   48   49   55   57   62   67   72 
LCS_GDT     R    75_A     R    75_A     19   25   46      5   13   20   22   22   23   26   31   34   37   40   43   45   48   49   55   57   60   65   70 
LCS_GDT     D    76_A     D    76_A      6   25   46      3    3    4    8   22   23   26   31   34   37   40   43   45   48   50   55   60   64   69   74 
LCS_GDT     I    77_A     I    77_A      4   23   46      3    3    5    8   12   14   21   27   31   37   40   43   45   48   54   58   63   66   69   74 
LCS_GDT     T    78_A     T    78_A      4   15   43      3    3    6    9   14   17   19   19   23   27   33   39   45   52   54   58   63   66   69   74 
LCS_GDT     T    79_A     T    79_A     12   15   38      7   10   13   13   14   17   19   19   22   28   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     P    80_A     P    80_A     12   15   38      7   11   13   13   14   17   19   19   21   24   30   34   45   52   54   58   63   66   69   74 
LCS_GDT     E    81_A     E    81_A     12   15   38      7   11   13   13   14   17   19   19   21   24   32   38   46   52   54   58   63   65   69   72 
LCS_GDT     D    82_A     D    82_A     12   15   38      7   11   13   13   14   17   19   19   23   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     F    83_A     F    83_A     12   15   38      7   11   13   13   14   17   19   19   23   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     N    84_A     N    84_A     12   15   38      7   11   13   13   14   17   19   19   23   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     A    85_A     A    85_A     12   15   38      7   11   13   13   14   17   19   19   23   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     F    86_A     F    86_A     12   15   38      4   11   13   13   14   19   22   22   25   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     L    87_A     L    87_A     12   15   38      4   11   13   13   14   17   19   19   23   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     R    88_A     R    88_A     12   15   38      4   11   13   13   14   19   22   22   25   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     E    89_A     E    89_A     12   21   38      4   11   13   13   15   17   22   22   25   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     L    90_A     L    90_A     16   21   38      5   11   15   17   18   19   20   22   24   27   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     G    91_A     G    91_A     16   21   37      4    9   10   16   16   19   20   21   25   26   30   35   43   48   54   58   63   66   69   74 
LCS_GDT     P    92_A     P    92_A     16   21   37     12   14   15   17   18   19   22   22   25   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     E    93_A     E    93_A     16   21   37     12   14   15   17   18   19   22   22   25   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     A    94_A     A    94_A     16   21   36     12   14   15   17   18   19   22   22   25   29   33   39   46   52   54   58   63   66   69   74 
LCS_GDT     V    95_A     V    95_A     16   21   36     12   14   15   17   18   19   22   22   25   29   33   39   46   52   54   58   63   66   69   72 
LCS_GDT     E    96_A     E    96_A     16   21   34     12   14   15   17   18   19   22   22   25   29   33   39   46   52   54   58   63   66   69   72 
LCS_GDT     L    97_A     L    97_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   38   43   52   54   56   61   65   69   72 
LCS_GDT     V    98_A     V    98_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   32   38   44   49   56   58   61   65   69 
LCS_GDT     S    99_A     S    99_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   32   38   43   47   51   55   61   63   67 
LCS_GDT     T   100_A     T   100_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   32   38   43   47   51   55   60   63   67 
LCS_GDT     F   101_A     F   101_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     T   102_A     T   102_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     Q   103_A     Q   103_A     16   21   32     12   14   15   17   18   19   22   22   25   26   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     Q   104_A     Q   104_A     16   21   32      6   14   15   17   18   19   22   22   25   26   29   31   38   43   47   51   55   58   61   67 
LCS_GDT     F   105_A     F   105_A     16   21   32      6   14   15   17   18   19   22   22   25   26   29   30   32   37   45   51   55   57   60   66 
LCS_GDT     V   106_A     V   106_A     15   21   32      4    7   13   17   18   19   22   22   25   26   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     D   107_A     D   107_A      9   21   32      4    7   13   17   18   19   22   22   25   26   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     V   108_A     V   108_A      9   21   32      4    7   13   17   18   19   22   22   25   26   29   31   37   42   47   51   55   58   61   67 
LCS_GDT     I   109_A     I   109_A      9   21   32      4    7    9   13   17   19   22   22   25   26   29   30   37   42   46   51   55   58   61   67 
LCS_GDT     R   110_A     R   110_A      9   21   32      3    7    9   10   15   18   22   22   25   26   29   32   37   42   47   51   55   58   61   67 
LCS_GDT     G   111_A     G   111_A      4   11   32      3    5    5    6    9   11   19   20   22   26   31   36   38   43   47   51   55   58   61   67 
LCS_GDT     D   112_A     D   112_A     10   11   32      9   10   10   10   10   11   17   19   22   26   29   34   38   43   47   51   55   58   61   67 
LCS_GDT     P   113_A     P   113_A     10   11   32      9   10   10   10   10   13   17   19   22   25   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     Q   114_A     Q   114_A     10   11   31      9   10   10   10   10   13   17   19   22   25   29   32   38   44   47   51   55   58   61   67 
LCS_GDT     A   115_A     A   115_A     10   11   30      9   10   10   10   10   13   17   18   22   25   29   32   37   44   48   51   55   58   61   67 
LCS_GDT     V   116_A     V   116_A     10   11   27      9   10   10   10   10   13   17   19   22   25   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     A   117_A     A   117_A     10   11   26      9   10   10   10   10   13   17   19   22   25   29   32   38   43   47   51   55   58   61   67 
LCS_GDT     E   118_A     E   118_A     10   11   26      9   10   10   10   10   13   17   18   22   25   26   29   32   35   39   43   52   58   61   67 
LCS_GDT     H   119_A     H   119_A     10   11   26      9   10   10   10   10   13   17   18   22   24   26   29   32   35   37   40   44   51   61   67 
LCS_GDT     L   120_A     L   120_A     10   11   26      9   10   10   10   10   13   17   19   22   25   29   31   35   41   47   51   57   58   62   67 
LCS_GDT     N   121_A     N   121_A     10   11   26      4   10   10   10   10   12   17   18   22   25   29   30   33   37   40   44   52   58   61   67 
LCS_GDT     I   122_A     I   122_A      3   10   26      3    5    8    8    9    9   12   14   16   18   21   23   27   30   33   37   42   48   56   59 
LCS_GDT     S   123_A     S   123_A      8   10   26      1    3    8    8    9    9   10   11   14   17   19   20   23   23   24   30   34   38   44   47 
LCS_GDT     L   124_A     L   124_A      8   10   25      3    7    8    8    9    9   10   11   14   15   18   20   22   28   31   35   40   45   55   59 
LCS_GDT     E   125_A     E   125_A      8   10   23      6    7    8    8    9    9   10   11   14   15   18   21   22   29   37   45   47   52   57   65 
LCS_GDT     D   126_A     D   126_A      8   10   23      6    7    8    8    9    9   10   18   21   22   23   23   24   30   42   45   47   52   57   65 
LCS_GDT     V   127_A     V   127_A      8   10   23      6    7    8    8    9   13   14   19   21   22   24   26   27   29   33   36   41   44   49   65 
LCS_GDT     A   128_A     A   128_A      8   10   23      6    7    8   11   12   14   14   17   18   21   24   26   27   28   33   44   48   51   57   65 
LCS_GDT     R   129_A     R   129_A      8   14   23      6    7    8   11   12   14   17   18   21   22   24   26   27   29   39   49   50   53   57   65 
LCS_GDT     L   130_A     L   130_A     12   14   23      9   11   12   12   14   14   17   17   19   22   24   26   27   34   39   44   48   53   57   65 
LCS_GDT     A   131_A     A   131_A     12   14   23      9   11   12   12   14   14   17   17   19   22   24   26   27   29   33   36   40   44   46   49 
LCS_GDT     E   132_A     E   132_A     12   14   23      9   11   12   12   14   14   17   17   19   22   24   26   27   29   33   38   43   44   46   49 
LCS_GDT     A   133_A     A   133_A     12   14   23      9   11   12   12   17   19   19   20   22   30   34   37   40   43   46   49   50   53   57   65 
LCS_GDT     G   134_A     G   134_A     12   14   28      9   11   12   12   14   18   20   21   22   30   33   36   40   42   46   49   50   53   56   65 
LCS_GDT     E   135_A     E   135_A     12   14   28      9   11   12   12   14   14   17   17   19   22   24   26   27   37   38   40   43   49   53   56 
LCS_GDT     A   136_A     A   136_A     12   14   28      9   11   12   12   19   19   21   21   22   28   28   30   33   39   41   45   49   51   54   57 
LCS_GDT     A   137_A     A   137_A     12   14   28      9   11   12   12   14   19   21   24   26   28   28   32   37   40   43   46   49   53   55   58 
LCS_GDT     I   138_A     I   138_A     12   14   28      9   11   12   14   18   20   23   24   26   28   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     E   139_A     E   139_A     12   14   28      4   11   12   14   16   20   23   24   26   28   28   30   30   32   33   36   45   53   55   57 
LCS_GDT     R   140_A     R   140_A     12   14   28      4   11   12   12   14   15   18   20   26   28   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     G   141_A     G   141_A     12   21   28      4    9   12   12   14   14   17   17   22   25   27   30   35   37   43   44   47   53   55   58 
LCS_GDT     E   142_A     E   142_A      5   21   28      3    7   14   18   19   19   21   22   23   24   28   30   35   37   43   44   47   53   55   58 
LCS_GDT     G   143_A     G   143_A      5   21   28      3    4    6   11   12   16   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     A   144_A     A   144_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   31   37   40   43   45   49   53   55   60 
LCS_GDT     S   145_A     S   145_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   31   37   40   43   46   52   55   56   61 
LCS_GDT     L   146_A     L   146_A     18   21   28      9   16   17   18   19   19   21   22   25   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     G   147_A     G   147_A     18   21   28      9   16   17   18   19   19   21   22   25   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     V   148_A     V   148_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     H   149_A     H   149_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     R   150_A     R   150_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     E   151_A     E   151_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     L   152_A     L   152_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     R   153_A     R   153_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     R   154_A     R   154_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     I   155_A     I   155_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     E   156_A     E   156_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     A   157_A     A   157_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     R   158_A     R   158_A     18   21   28      9   16   17   18   19   19   21   22   23   24   28   30   35   37   43   44   47   53   55   57 
LCS_GDT     R   159_A     R   159_A     18   21   28      9   16   17   18   19   19   21   22   23   26   28   30   35   37   43   44   47   53   55   57 
LCS_GDT     N   160_A     N   160_A     18   21   28      3    6   17   18   19   19   21   22   23   26   28   30   37   40   43   44   47   53   55   58 
LCS_GDT     S   161_A     S   161_A     18   21   28      3    6   15   18   19   19   21   22   23   24   27   29   35   37   43   44   47   50   55   57 
LCS_AVERAGE  LCS_A:  15.04  (   9.55   12.57   23.02 )

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     15     16     20     22     22     23     26     31     34     37     40     43     46     52     54     58     63     66     69     74 
GDT PERCENT_AT   9.93  10.60  13.25  14.57  14.57  15.23  17.22  20.53  22.52  24.50  26.49  28.48  30.46  34.44  35.76  38.41  41.72  43.71  45.70  49.01
GDT RMS_LOCAL    0.31   0.45   1.00   1.16   1.16   1.35   2.27   2.76   2.95   3.28   3.59   3.89   4.73   5.05   5.15   5.45   5.78   6.15   6.25   7.00
GDT RMS_ALL_AT  26.46  26.36  21.49  21.88  21.88  21.51  18.12  17.40  17.35  17.29  17.49  17.59  21.10  20.81  20.96  21.25  21.17  21.58  21.65  20.91

# Checking swapping
#   possible swapping detected:  E    14_A      E    14_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  D    61_A      D    61_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F   101_A      F   101_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  D   126_A      D   126_A
#   possible swapping detected:  E   135_A      E   135_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  E   156_A      E   156_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A    12.702     0    0.464   0.440    20.572    0.357    0.159
LGA    A    12_A      A    12_A     7.602     0    0.401   0.387     9.631    6.190    6.952
LGA    V    13_A      V    13_A     8.856     0    0.261   1.241    11.550    4.405    2.925
LGA    E    14_A      E    14_A     7.756     0    0.187   0.538     9.163    9.762    6.667
LGA    D    15_A      D    15_A     7.384     0    0.029   0.215     9.881   11.905    7.321
LGA    F    16_A      F    16_A     6.462     0    0.047   0.214     7.094   22.024   18.788
LGA    L    17_A      L    17_A     4.531     0    0.095   1.027     6.788   39.524   29.167
LGA    R    18_A      R    18_A     3.711     0    0.090   0.963     9.229   46.905   30.390
LGA    V    19_A      V    19_A     3.994     0    0.074   1.086     6.334   43.333   38.844
LGA    H    20_A      H    20_A     3.723     0    0.103   1.116     5.200   48.452   40.619
LGA    S    21_A      S    21_A     1.502     0    0.030   0.723     2.385   72.976   73.016
LGA    E    22_A      E    22_A     1.168     0    0.020   0.877     3.912   71.190   69.101
LGA    L    23_A      L    23_A     4.109     0    0.022   1.391     9.207   38.929   26.964
LGA    V    24_A      V    24_A     3.612     0    0.057   0.093     4.259   41.786   46.395
LGA    H    25_A      H    25_A     3.580     0    0.067   1.086     5.392   37.738   40.095
LGA    R    26_A      R    26_A     5.460     0    0.048   1.160     7.124   21.190   28.398
LGA    L    27_A      L    27_A     7.091     0    0.115   0.990     9.654    9.286    9.345
LGA    A    28_A      A    28_A     7.480     0    0.088   0.102     9.653    6.667    8.762
LGA    G    29_A      G    29_A     9.541     0    0.306   0.306    13.706    1.310    1.310
LGA    D    30_A      D    30_A    15.469     0    0.345   1.207    16.488    0.000    0.000
LGA    P    31_A      P    31_A    19.348     0    0.119   0.566    20.479    0.000    0.000
LGA    P    32_A      P    32_A    22.623     0    0.091   0.614    24.271    0.000    0.000
LGA    D    33_A      D    33_A    25.878     0    0.633   0.873    27.455    0.000    0.000
LGA    E    34_A      E    34_A    28.101     0    0.042   0.924    30.789    0.000    0.000
LGA    L    35_A      L    35_A    23.445     0    0.057   1.377    25.200    0.000    0.000
LGA    F    36_A      F    36_A    19.270     0    0.048   1.463    20.986    0.000    0.000
LGA    Q    37_A      Q    37_A    22.859     0    0.037   0.238    30.112    0.000    0.000
LGA    R    38_A      R    38_A    22.578     0    0.040   1.208    32.526    0.000    0.000
LGA    L    39_A      L    39_A    16.690     0    0.054   1.417    18.913    0.000    0.000
LGA    D    40_A      D    40_A    16.292     0    0.053   1.091    18.126    0.000    0.000
LGA    R    41_A      R    41_A    19.605     0    0.025   1.578    27.520    0.000    0.000
LGA    F    42_A      F    42_A    16.518     0    0.048   1.299    21.707    0.000    0.000
LGA    V    43_A      V    43_A    10.821     0    0.065   0.129    12.959    0.119    0.680
LGA    T    44_A      T    44_A    13.615     0    0.067   1.038    17.302    0.000    0.000
LGA    D    45_A      D    45_A    14.650     0    0.053   1.191    20.589    0.000    0.000
LGA    A    46_A      A    46_A     9.588     0    0.099   0.093    11.331    4.405    3.810
LGA    I    47_A      I    47_A     7.338     0    0.110   0.162     8.544    7.262    7.143
LGA    I    48_A      I    48_A    11.785     0    0.099   0.117    17.497    0.000    0.000
LGA    E    49_A      E    49_A    11.500     0    0.160   0.509    19.276    0.119    0.053
LGA    G    50_A      G    50_A     6.886     0    0.093   0.093     8.151   18.929   18.929
LGA    N    51_A      N    51_A     4.295     0    0.242   0.819     5.418   49.643   39.940
LGA    P    52_A      P    52_A     2.606     0    0.090   0.403     4.651   51.786   45.578
LGA    E    53_A      E    53_A     5.163     0    0.148   0.606     9.562   31.667   17.196
LGA    R    54_A      R    54_A     2.302     0    0.404   1.628     9.261   62.857   40.216
LGA    R    55_A      R    55_A     2.585     0    0.078   0.838    10.039   62.857   32.338
LGA    D    56_A      D    56_A     2.992     0    0.102   0.789     3.642   53.690   51.012
LGA    E    57_A      E    57_A     2.685     0    0.032   0.765     5.469   62.857   48.307
LGA    I    58_A      I    58_A     1.418     0    0.063   0.116     2.725   77.143   72.024
LGA    K    59_A      K    59_A     3.274     0    0.134   0.991     5.309   50.119   39.894
LGA    A    60_A      A    60_A     3.105     0    0.127   0.133     3.359   53.571   52.857
LGA    D    61_A      D    61_A     1.244     0    0.085   0.294     3.147   79.286   73.274
LGA    L    62_A      L    62_A     3.076     0    0.047   1.043     7.024   50.357   41.131
LGA    A    63_A      A    63_A     4.871     0    0.046   0.059     5.903   35.714   32.857
LGA    R    64_A      R    64_A     2.778     0    0.062   1.196     8.262   65.357   36.061
LGA    A    65_A      A    65_A     1.347     0    0.098   0.094     2.000   77.143   76.286
LGA    A    66_A      A    66_A     3.134     0    0.116   0.116     3.931   55.357   52.952
LGA    R    67_A      R    67_A     1.731     0    0.084   0.833     6.385   79.643   52.035
LGA    V    68_A      V    68_A     1.252     0    0.065   0.140     3.125   81.786   74.694
LGA    F    69_A      F    69_A     2.621     0    0.067   0.185     5.620   62.976   44.805
LGA    G    70_A      G    70_A     2.015     0    0.084   0.084     2.015   72.976   72.976
LGA    E    71_A      E    71_A     0.597     0    0.063   0.747     2.436   81.667   80.741
LGA    A    72_A      A    72_A     3.418     0    0.049   0.046     4.434   52.024   49.048
LGA    L    73_A      L    73_A     3.985     0    0.148   0.213     6.727   46.667   36.190
LGA    E    74_A      E    74_A     1.554     0    0.216   1.250     4.688   77.381   62.434
LGA    R    75_A      R    75_A     2.145     0    0.650   1.175     4.682   56.548   50.823
LGA    D    76_A      D    76_A     2.389     0    0.574   1.510     7.260   61.071   41.786
LGA    I    77_A      I    77_A     5.463     0    0.108   0.261     8.351   20.357   18.869
LGA    T    78_A      T    78_A    10.714     0    0.442   1.046    12.891    0.714    0.408
LGA    T    79_A      T    79_A    15.336     0    0.353   1.209    17.263    0.000    0.000
LGA    P    80_A      P    80_A    19.473     0    0.070   0.147    22.025    0.000    0.000
LGA    E    81_A      E    81_A    23.109     0    0.052   1.351    29.389    0.000    0.000
LGA    D    82_A      D    82_A    18.134     0    0.220   0.233    20.852    0.000    0.000
LGA    F    83_A      F    83_A    14.526     0    0.076   1.363    16.672    0.000    0.000
LGA    N    84_A      N    84_A    20.979     0    0.072   0.134    25.235    0.000    0.000
LGA    A    85_A      A    85_A    23.496     0    0.067   0.069    24.508    0.000    0.000
LGA    F    86_A      F    86_A    18.338     0    0.059   1.398    19.714    0.000    0.000
LGA    L    87_A      L    87_A    16.961     0    0.058   1.398    18.911    0.000    0.000
LGA    R    88_A      R    88_A    23.220     0    0.039   1.464    33.422    0.000    0.000
LGA    E    89_A      E    89_A    24.086     0    0.108   0.914    26.906    0.000    0.000
LGA    L    90_A      L    90_A    18.959     0    0.318   1.202    20.478    0.000    0.000
LGA    G    91_A      G    91_A    19.187     0    0.518   0.518    19.925    0.000    0.000
LGA    P    92_A      P    92_A    23.067     0    0.537   1.137    24.292    0.000    0.000
LGA    E    93_A      E    93_A    23.129     0    0.033   0.190    26.690    0.000    0.000
LGA    A    94_A      A    94_A    20.145     0    0.053   0.065    21.184    0.000    0.000
LGA    V    95_A      V    95_A    19.962     0    0.031   0.097    20.687    0.000    0.000
LGA    E    96_A      E    96_A    22.135     0    0.034   1.121    26.312    0.000    0.000
LGA    L    97_A      L    97_A    20.905     0    0.033   0.215    21.312    0.000    0.000
LGA    V    98_A      V    98_A    18.999     0    0.026   0.068    19.561    0.000    0.000
LGA    S    99_A      S    99_A    21.157     0    0.079   0.670    22.055    0.000    0.000
LGA    T   100_A      T   100_A    22.371     0    0.043   0.119    23.733    0.000    0.000
LGA    F   101_A      F   101_A    19.735     0    0.076   1.273    20.463    0.000    0.000
LGA    T   102_A      T   102_A    19.894     0    0.056   0.855    21.306    0.000    0.000
LGA    Q   103_A      Q   103_A    22.900     0    0.114   1.146    24.938    0.000    0.000
LGA    Q   104_A      Q   104_A    21.976     0    0.089   0.657    22.510    0.000    0.000
LGA    F   105_A      F   105_A    20.256     0    0.100   1.205    22.621    0.000    0.000
LGA    V   106_A      V   106_A    20.372     0    0.025   0.047    21.227    0.000    0.000
LGA    D   107_A      D   107_A    21.114     0    0.084   0.203    22.962    0.000    0.000
LGA    V   108_A      V   108_A    19.315     0    0.077   0.115    20.096    0.000    0.000
LGA    I   109_A      I   109_A    18.079     0    0.218   0.224    18.953    0.000    0.000
LGA    R   110_A      R   110_A    19.076     0    0.118   1.083    29.827    0.000    0.000
LGA    G   111_A      G   111_A    11.856     0    0.121   0.121    14.516    0.714    0.714
LGA    D   112_A      D   112_A    11.644     0    0.543   0.545    13.071    0.000    0.000
LGA    P   113_A      P   113_A    12.956     0    0.067   0.568    13.569    0.000    0.000
LGA    Q   114_A      Q   114_A    10.998     0    0.101   0.970    12.338    0.000    0.159
LGA    A   115_A      A   115_A    10.428     0    0.038   0.035    12.222    0.000    0.095
LGA    V   116_A      V   116_A    13.477     0    0.034   0.058    15.606    0.000    0.000
LGA    A   117_A      A   117_A    14.001     0    0.040   0.041    15.054    0.000    0.000
LGA    E   118_A      E   118_A    13.133     0    0.076   0.524    14.979    0.000    0.000
LGA    H   119_A      H   119_A    14.801     0    0.056   0.601    17.013    0.000    0.000
LGA    L   120_A      L   120_A    17.301     0    0.211   1.050    18.941    0.000    0.000
LGA    N   121_A      N   121_A    17.530     0    0.173   0.657    19.096    0.000    0.000
LGA    I   122_A      I   122_A    17.117     0    0.556   1.441    18.680    0.000    0.000
LGA    S   123_A      S   123_A    21.943     0    0.552   0.933    23.993    0.000    0.000
LGA    L   124_A      L   124_A    18.939     0    0.661   0.668    21.873    0.000    0.000
LGA    E   125_A      E   125_A    16.644     0    0.086   0.815    18.707    0.000    0.000
LGA    D   126_A      D   126_A    14.215     0    0.086   0.158    15.527    0.000    0.000
LGA    V   127_A      V   127_A    15.671     0    0.029   0.070    17.910    0.000    0.000
LGA    A   128_A      A   128_A    14.960     0    0.033   0.035    15.447    0.000    0.000
LGA    R   129_A      R   129_A    10.636     0    0.043   0.981    12.943    0.357    0.130
LGA    L   130_A      L   130_A    10.956     0    0.531   0.550    15.189    1.190    0.595
LGA    A   131_A      A   131_A    13.745     0    0.051   0.049    16.671    0.000    0.000
LGA    E   132_A      E   132_A    13.715     0    0.057   0.954    16.632    0.000    0.000
LGA    A   133_A      A   133_A     7.519     0    0.071   0.066     9.446    4.643    8.000
LGA    G   134_A      G   134_A     8.329     0    0.031   0.031    11.647    2.976    2.976
LGA    E   135_A      E   135_A    15.396     0    0.032   0.408    21.757    0.000    0.000
LGA    A   136_A      A   136_A    15.765     0    0.047   0.045    17.882    0.000    0.000
LGA    A   137_A      A   137_A    14.060     0    0.058   0.058    17.561    0.000    0.000
LGA    I   138_A      I   138_A    17.266     0    0.041   0.086    21.840    0.000    0.000
LGA    E   139_A      E   139_A    23.143     0    0.061   1.034    27.327    0.000    0.000
LGA    R   140_A      R   140_A    23.854     0    0.307   0.953    26.754    0.000    0.000
LGA    G   141_A      G   141_A    25.263     0    0.270   0.270    25.263    0.000    0.000
LGA    E   142_A      E   142_A    22.726     0    0.189   1.047    23.640    0.000    0.000
LGA    G   143_A      G   143_A    18.268     0    0.681   0.681    19.613    0.000    0.000
LGA    A   144_A      A   144_A    14.836     0    0.435   0.446    16.168    0.000    0.000
LGA    S   145_A      S   145_A    14.363     0    0.032   0.678    16.855    0.000    0.000
LGA    L   146_A      L   146_A    19.779     0    0.031   1.113    23.389    0.000    0.000
LGA    G   147_A      G   147_A    21.198     0    0.013   0.013    22.476    0.000    0.000
LGA    V   148_A      V   148_A    18.992     0    0.048   0.118    21.222    0.000    0.000
LGA    H   149_A      H   149_A    20.826     0    0.065   0.450    23.929    0.000    0.000
LGA    R   150_A      R   150_A    25.732     0    0.077   1.497    32.643    0.000    0.000
LGA    E   151_A      E   151_A    26.379     0    0.058   1.140    28.808    0.000    0.000
LGA    L   152_A      L   152_A    25.588     0    0.064   0.243    28.328    0.000    0.000
LGA    R   153_A      R   153_A    29.006     0    0.034   1.096    33.067    0.000    0.000
LGA    R   154_A      R   154_A    32.574     0    0.016   1.437    34.736    0.000    0.000
LGA    I   155_A      I   155_A    32.270     0    0.022   0.118    34.517    0.000    0.000
LGA    E   156_A      E   156_A    32.849     0    0.013   1.350    36.018    0.000    0.000
LGA    A   157_A      A   157_A    36.781     0    0.028   0.028    39.847    0.000    0.000
LGA    R   158_A      R   158_A    39.387     0    0.067   1.364    41.719    0.000    0.000
LGA    R   159_A      R   159_A    39.314     0    0.060   1.049    41.605    0.000    0.000
LGA    N   160_A      N   160_A    39.249     0    0.113   0.372    42.606    0.000    0.000
LGA    S   161_A      S   161_A    43.669     0    0.678   0.794    46.132    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      151     604    604  100.00    1194   1194  100.00               151
SUMMARY(RMSD_GDC):    14.594         14.529                 15.261           14.489   12.353

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  164  151    4.0     31    2.76    21.026    18.582     1.084

LGA_LOCAL      RMSD:   2.761  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.395  Number of assigned atoms:  151 
Std_ASGN_ATOMS RMSD:  14.594  Standard rmsd on all 151 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.140704 * X  +  -0.210516 * Y  +  -0.967412 * Z  +  99.487473
  Y_new =   0.902080 * X  +   0.375405 * Y  +  -0.212893 * Z  + -28.897324
  Z_new =   0.407989 * X  +  -0.902637 * Y  +   0.137081 * Z  +  50.024651 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.725527 -0.420250 -1.420080   [DEG:   98.8654  -24.0786  -81.3646 ]
ZXZ: -1.354185  1.433282  2.717080   [DEG:  -77.5891   82.1210  155.6772 ]
 
# END of job
