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

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

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

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 96_A        4.95    28.25
  LONGEST_CONTINUOUS_SEGMENT:    94       4_A - 97_A        4.97    28.15
  LCS_AVERAGE:     52.28

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65      12_A - 76_A        1.99    28.26
  LONGEST_CONTINUOUS_SEGMENT:    65      13_A - 77_A        1.96    28.24
  LONGEST_CONTINUOUS_SEGMENT:    65      14_A - 78_A        1.98    28.41
  LCS_AVERAGE:     28.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_A - 43_A        0.96    27.97
  LONGEST_CONTINUOUS_SEGMENT:    34      11_A - 44_A        0.93    27.98
  LONGEST_CONTINUOUS_SEGMENT:    34      12_A - 45_A        0.94    27.95
  LCS_AVERAGE:     12.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      3    5   86      3    3    3    3    4    6    9   12   12   18   24   31   46   52   62   73   84   88   89   90 
LCS_GDT     S     2_A     S     2_A      4    5   88      3    4    4    4    7    8   10   12   16   21   31   44   54   66   74   82   86   88   90   91 
LCS_GDT     R     3_A     R     3_A      4   39   94      3    4    4    4    5    9   16   34   44   55   61   68   74   78   84   86   88   89   90   91 
LCS_GDT     I     4_A     I     4_A     22   43   94      4   16   28   38   42   46   51   56   65   68   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     D     5_A     D     5_A     22   43   94      3   10   23   36   42   46   51   56   65   68   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E     6_A     E     6_A     22   43   94      4   16   24   35   42   46   50   56   65   68   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K     7_A     K     7_A     22   44   94      5   16   28   38   42   46   52   60   66   70   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S     8_A     S     8_A     31   44   94      5   19   32   38   44   49   58   65   68   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S     9_A     S     9_A     32   45   94      4   13   28   38   44   48   61   65   68   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    10_A     K    10_A     34   45   94      7   23   33   39   44   56   62   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     A    11_A     A    11_A     34   45   94      9   28   33   41   50   60   62   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    12_A     K    12_A     34   65   94      9   27   35   45   53   60   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     V    13_A     V    13_A     34   65   94      9   28   35   45   56   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     N    14_A     N    14_A     34   65   94      9   28   35   46   56   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     D    15_A     D    15_A     34   65   94     10   28   36   49   56   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     F    16_A     F    16_A     34   65   94      9   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     L    17_A     L    17_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     A    18_A     A    18_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    19_A     E    19_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     I    20_A     I    20_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     F    21_A     F    21_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    22_A     K    22_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    23_A     K    23_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     I    24_A     I    24_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     G    25_A     G    25_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S    26_A     S    26_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    27_A     K    27_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    28_A     E    28_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     N    29_A     N    29_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     T    30_A     T    30_A     34   65   94     21   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    31_A     K    31_A     34   65   94     16   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    32_A     E    32_A     34   65   94     15   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     G    33_A     G    33_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     L    34_A     L    34_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     A    35_A     A    35_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    36_A     E    36_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     L    37_A     L    37_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     Y    38_A     Y    38_A     34   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    39_A     E    39_A     34   65   94     19   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     Y    40_A     Y    40_A     34   65   94     16   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    41_A     K    41_A     34   65   94     16   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    42_A     K    42_A     34   65   94     16   29   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    43_A     K    43_A     34   65   94     16   28   36   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     Y    44_A     Y    44_A     34   65   94     12   26   36   48   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S    45_A     S    45_A     34   65   94      3   22   34   47   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     D    46_A     D    46_A      4   65   94      3    4    4    6   13   24   38   49   62   68   72   75   78   81   85   86   88   89   90   91 
LCS_GDT     A    47_A     A    47_A      4   65   94      3    6   13   20   40   51   61   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     D    48_A     D    48_A     24   65   94      7   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     I    49_A     I    49_A     24   65   94     11   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    50_A     E    50_A     24   65   94     11   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     P    51_A     P    51_A     24   65   94     11   23   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     F    52_A     F    52_A     24   65   94     11   23   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     L    53_A     L    53_A     24   65   94     11   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    54_A     K    54_A     24   65   94     10   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     N    55_A     N    55_A     24   65   94      6   24   37   50   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S    56_A     S    56_A     24   65   94      7   20   37   48   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S    57_A     S    57_A     24   65   94      5   19   35   46   57   61   65   66   69   71   74   76   77   81   85   86   88   89   90   91 
LCS_GDT     Q    58_A     Q    58_A     24   65   94      5    9   32   44   55   60   65   66   69   71   73   76   77   80   85   86   88   89   90   91 
LCS_GDT     F    59_A     F    59_A     24   65   94      4   13   35   44   52   61   65   66   69   71   74   76   77   80   85   86   88   89   90   91 
LCS_GDT     F    60_A     F    60_A     24   65   94      4   18   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     Q    61_A     Q    61_A     24   65   94     11   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S    62_A     S    62_A     24   65   94      8   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     Y    63_A     Y    63_A     24   65   94      8   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     V    64_A     V    64_A     24   65   94     11   25   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    65_A     E    65_A     24   65   94      8   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     R    66_A     R    66_A     24   65   94      8   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     G    67_A     G    67_A     24   65   94      9   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     L    68_A     L    68_A     24   65   94     21   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     R    69_A     R    69_A     24   65   94     20   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     V    70_A     V    70_A     24   65   94     19   29   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     I    71_A     I    71_A     24   65   94     11   24   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    72_A     E    72_A     20   65   94      7   21   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     M    73_A     M    73_A     19   65   94      8   22   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    74_A     E    74_A     19   65   94      8   20   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     R    75_A     R    75_A     19   65   94     10   22   37   51   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     E    76_A     E    76_A     19   65   94     10   19   37   47   57   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     G    77_A     G    77_A     19   65   94     10   19   28   42   54   61   65   66   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     K    78_A     K    78_A      4   65   94      4   13   28   46   53   59   62   65   68   70   72   75   76   78   79   84   88   88   89   91 
LCS_GDT     G    79_A     G    79_A      4   51   94      4   10   17   30   44   50   60   63   66   68   70   73   74   76   77   80   80   81   84   90 
LCS_GDT     R    80_A     R    80_A      4   34   94      4    4    4    5    7    8   53   63   66   68   70   73   75   76   79   80   81   82   83   90 
LCS_GDT     I    81_A     I    81_A      4   34   94      0    4    4    5   41   61   65   66   69   71   74   76   77   80   85   86   88   89   90   91 
LCS_GDT     S    82_A     S    82_A      4    7   94      3    4    4    6   39   48   60   65   69   71   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     T    83_A     T    83_A      4    7   94      3    4    4    5    7   23   48   57   66   70   74   76   78   81   85   86   88   89   90   91 
LCS_GDT     S    84_A     S    84_A      4    7   94      3    4    4    5    7    8   11   14   16   17   24   61   66   75   80   86   88   89   90   91 
LCS_GDT     T    85_A     T    85_A      5    8   94      3    4    5    7    8    8   11   14   16   17   21   22   25   60   67   75   81   87   89   91 
LCS_GDT     G    86_A     G    86_A      5    8   94      3    4    6    7    8    8   10   14   16   21   27   46   66   76   79   83   85   89   90   91 
LCS_GDT     I    87_A     I    87_A      5    8   94      3    4    5    7    8    8   11   14   16   19   23   33   51   76   79   83   85   88   90   91 
LCS_GDT     S    88_A     S    88_A      5    8   94      3    4    6    7   10   13   23   47   51   59   67   71   77   80   83   86   88   89   90   91 
LCS_GDT     P    89_A     P    89_A      5    8   94      3    4   16   18   25   37   46   52   58   63   69   74   78   81   85   86   88   89   90   91 
LCS_GDT     Q    90_A     Q    90_A      5    8   94      3    4    6    8   11   24   41   49   58   63   69   74   78   81   85   86   88   89   90   91 
LCS_GDT     M    91_A     M    91_A      5    8   94      3    4   11   31   37   43   49   54   61   68   71   74   78   81   85   86   88   89   90   91 
LCS_GDT     E    92_A     E    92_A      5    8   94      3    4    6    6   36   43   50   54   61   68   71   74   78   81   85   86   88   89   90   91 
LCS_GDT     V    93_A     V    93_A      4    6   94      3    4    4   27   34   39   47   54   60   66   71   74   78   81   85   86   88   89   90   91 
LCS_GDT     T    94_A     T    94_A      4    8   94      3    4    4    6    8   19   46   54   59   65   71   74   78   81   85   86   88   89   90   91 
LCS_GDT     C    95_A     C    95_A      4    8   94      3    4    5    6    8    9   46   52   58   65   71   74   78   81   85   86   88   89   90   91 
LCS_GDT     V    96_A     V    96_A      4    8   94      3    4    5    6    8    9   10   12   14   16   18   72   77   81   85   86   88   89   90   91 
LCS_GDT     P    97_A     P    97_A      4    8   94      3    4    5    6    8    9   10   12   14   16   18   40   73   77   83   85   88   89   90   91 
LCS_GDT     T    98_A     T    98_A      4    8   22      3    4    5    6    8    9   10   12   14   16   18   72   75   76   80   85   88   88   90   91 
LCS_GDT     P    99_A     P    99_A      4    8   22      3    4    5    6    8    9   10   12   13   16   18   21   26   71   76   79   80   84   89   90 
LCS_GDT     T   100_A     T   100_A      4    8   22      3    4    5    6    8    9   10   12   13   16   19   22   69   75   77   79   81   83   89   90 
LCS_GDT     S   101_A     S   101_A      3    8   22      3    3    4    6    7    9   10   11   14   46   51   54   60   71   77   79   81   83   85   90 
LCS_GDT     T   102_A     T   102_A      3    8   22      3    3    3    6    7    8   10   12   13   14   16   21   26   30   31   35   38   42   77   78 
LCS_GDT     V   103_A     V   103_A      4    8   22      3    3    7    7    8   10   10   12   13   15   18   54   69   72   74   78   81   82   83   85 
LCS_GDT     S   104_A     S   104_A      6    8   28      3    3    7    7    8   10   11   11   12   14   16   19   60   62   67   73   81   82   83   85 
LCS_GDT     S   105_A     S   105_A      6    8   28      3    4    7    7    8   10   11   12   13   15   18   21   26   30   32   35   44   60   70   81 
LCS_GDT     I   106_A     I   106_A      6    9   28      3    4    7    7    8   10   11   11   15   20   23   24   26   32   38   45   66   78   79   88 
LCS_GDT     G   107_A     G   107_A      6    9   28      3    4    7    7    8   10   11   13   18   22   24   25   26   30   33   42   47   60   79   81 
LCS_GDT     N   108_A     N   108_A      6    9   28      3    4    7    7    8   10   11   13   18   22   24   25   26   30   37   42   50   68   79   81 
LCS_GDT     T   109_A     T   109_A      6    9   28      3    4    7    7    8   10   11   13   18   22   24   25   26   30   32   35   43   48   54   59 
LCS_GDT     N   110_A     N   110_A      4    9   28      3    4    5    7    8   10   11   12   14   19   23   25   26   30   32   35   38   42   44   51 
LCS_GDT     G   111_A     G   111_A      4    9   31      3    3    4    7    8   10   11   12   15   22   24   25   26   30   32   35   38   42   44   49 
LCS_GDT     E   112_A     E   112_A      3    9   31      3    3    3    4    8   10   11   11   18   20   24   25   26   28   32   35   36   38   41   46 
LCS_GDT     E   113_A     E   113_A      4    9   31      3    3    5    7    8   11   15   17   19   24   28   28   28   28   32   35   37   42   44   49 
LCS_GDT     V   114_A     V   114_A      4   18   31      3    4    5    7    8   10   15   25   27   27   28   28   28   28   29   35   36   38   41   46 
LCS_GDT     G   115_A     G   115_A     17   23   31      7   15   17   18   19   22   23   25   27   27   28   28   28   28   29   29   30   30   33   39 
LCS_GDT     P   116_A     P   116_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   29   30   31   39   41 
LCS_GDT     S   117_A     S   117_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   29   30   35   39   41 
LCS_GDT     V   118_A     V   118_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   29   30   31   32   41 
LCS_GDT     Y   119_A     Y   119_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   29   30   31   39   41 
LCS_GDT     L   120_A     L   120_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     E   121_A     E   121_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     R   122_A     R   122_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     L   123_A     L   123_A     17   23   31      7   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     K   124_A     K   124_A     17   23   31      7   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     I   125_A     I   125_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     L   126_A     L   126_A     17   23   31      7   14   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     R   127_A     R   127_A     17   23   31      7   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     Q   128_A     Q   128_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     R   129_A     R   129_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     C   130_A     C   130_A     17   23   31      8   15   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     G   131_A     G   131_A     17   23   31      6   13   17   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     L   132_A     L   132_A      3   23   31      3    3    4   13   18   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     D   133_A     D   133_A      3   23   31      3    4    4   18   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     N   134_A     N   134_A      3   23   31      3    4    7   14   19   22   22   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     T   135_A     T   135_A      5   23   31      1    4    5    7   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     K   136_A     K   136_A      5   23   31      4    4    5   17   19   22   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     Q   137_A     Q   137_A      5   23   31      4    4    5    7    7   14   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     D   138_A     D   138_A      5    8   31      4    4    5    7    7   11   23   25   27   27   28   28   28   28   29   30   32   35   39   41 
LCS_GDT     D   139_A     D   139_A      5    8   31      4    4    5    7   10   21   23   25   27   27   28   28   28   28   29   29   32   35   39   41 
LCS_GDT     R   140_A     R   140_A      3    4   31      3    4    4    5    7    9   20   25   27   27   28   28   28   28   29   29   30   32   37   41 
LCS_GDT     P   141_A     P   141_A      3    4   31      3    3    3    3    4    4    4    4    5    5    5   26   27   28   29   29   30   30   31   37 
LCS_AVERAGE  LCS_A:  31.31  (  12.97   28.70   52.28 )

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     21     29     37     51     57     61     65     66     69     71     74     76     78     81     85     86     88     89     90     91 
GDT PERCENT_AT  14.89  20.57  26.24  36.17  40.43  43.26  46.10  46.81  48.94  50.35  52.48  53.90  55.32  57.45  60.28  60.99  62.41  63.12  63.83  64.54
GDT RMS_LOCAL    0.32   0.51   0.97   1.27   1.47   1.62   1.82   1.90   2.13   2.35   2.77   2.92   3.46   3.65   3.93   4.01   4.16   4.27   4.38   4.51
GDT RMS_ALL_AT  28.44  28.42  28.18  28.46  28.44  28.29  28.18  28.14  28.06  27.91  27.88  27.85  28.17  28.06  27.96  27.99  28.01  27.89  28.10  28.16

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    19.704     0    0.207   0.252    22.501    0.000    0.000
LGA    S     2_A      S     2_A    18.560     0    0.627   0.566    22.591    0.000    0.000
LGA    R     3_A      R     3_A    13.840     0    0.199   1.020    21.366    0.119    0.043
LGA    I     4_A      I     4_A    11.311     0    0.043   1.105    17.173    0.357    0.179
LGA    D     5_A      D     5_A    11.012     0    0.093   0.977    11.676    0.357    0.238
LGA    E     6_A      E     6_A    10.220     0    0.046   0.793    11.736    1.071    0.476
LGA    K     7_A      K     7_A     8.977     0    0.033   0.081    13.052    4.524    2.063
LGA    S     8_A      S     8_A     7.514     0    0.047   0.065     8.540   10.595    8.730
LGA    S     9_A      S     9_A     7.174     0    0.008   0.759     8.682   15.119   11.349
LGA    K    10_A      K    10_A     5.912     0    0.115   0.863    11.710   21.786   12.275
LGA    A    11_A      A    11_A     4.912     0    0.053   0.063     5.374   34.524   33.905
LGA    K    12_A      K    12_A     3.865     0    0.034   0.060     5.518   43.452   36.349
LGA    V    13_A      V    13_A     3.462     0    0.050   0.742     5.151   50.119   43.061
LGA    N    14_A      N    14_A     3.224     0    0.034   0.873     4.732   55.476   47.917
LGA    D    15_A      D    15_A     2.422     0    0.015   1.010     4.607   69.048   55.655
LGA    F    16_A      F    16_A     1.362     0    0.024   0.079     1.791   81.548   76.017
LGA    L    17_A      L    17_A     1.206     0    0.033   1.383     2.798   81.429   75.238
LGA    A    18_A      A    18_A     1.708     0    0.029   0.036     1.993   72.857   72.857
LGA    E    19_A      E    19_A     1.076     0    0.048   0.903     2.593   81.429   75.979
LGA    I    20_A      I    20_A     0.775     0    0.038   0.073     1.238   85.952   89.405
LGA    F    21_A      F    21_A     1.600     0    0.019   0.093     2.137   72.976   75.238
LGA    K    22_A      K    22_A     2.136     0    0.029   0.675     4.425   66.786   57.831
LGA    K    23_A      K    23_A     1.742     0    0.032   0.637     1.991   72.857   74.762
LGA    I    24_A      I    24_A     1.474     0    0.023   0.053     1.857   75.000   80.476
LGA    G    25_A      G    25_A     1.992     0    0.131   0.131     2.752   66.905   66.905
LGA    S    26_A      S    26_A     2.063     0    0.119   0.186     2.712   70.833   67.540
LGA    K    27_A      K    27_A     2.236     0    0.060   0.878     5.623   64.762   52.910
LGA    E    28_A      E    28_A     2.118     0    0.030   0.871     4.628   68.810   56.455
LGA    N    29_A      N    29_A     1.544     0    0.071   0.078     1.719   77.143   76.071
LGA    T    30_A      T    30_A     1.978     0    0.011   0.231     2.878   72.857   67.211
LGA    K    31_A      K    31_A     1.973     0    0.025   1.113     8.470   72.857   48.201
LGA    E    32_A      E    32_A     1.084     0    0.048   1.095     4.486   85.952   69.947
LGA    G    33_A      G    33_A     0.814     0    0.007   0.007     0.909   90.476   90.476
LGA    L    34_A      L    34_A     0.842     0    0.022   0.090     1.274   90.476   85.952
LGA    A    35_A      A    35_A     0.694     0    0.022   0.037     0.867   90.476   90.476
LGA    E    36_A      E    36_A     0.682     0    0.033   0.097     1.479   90.476   86.455
LGA    L    37_A      L    37_A     0.349     0    0.027   0.093     0.546  100.000   98.810
LGA    Y    38_A      Y    38_A     0.375     0    0.038   0.094     1.184   97.619   93.690
LGA    E    39_A      E    39_A     0.640     0    0.023   0.923     3.017   92.857   82.222
LGA    Y    40_A      Y    40_A     0.721     0    0.052   0.175     1.961   90.476   84.524
LGA    K    41_A      K    41_A     0.773     0    0.029   0.882     3.395   88.214   82.116
LGA    K    42_A      K    42_A     1.028     0    0.027   0.630     2.743   81.548   80.794
LGA    K    43_A      K    43_A     1.696     0    0.049   1.028     3.987   69.048   64.444
LGA    Y    44_A      Y    44_A     2.380     0    0.327   0.397     3.533   62.857   55.556
LGA    S    45_A      S    45_A     2.900     0    0.361   0.550     3.713   51.905   52.460
LGA    D    46_A      D    46_A     6.209     0    0.598   1.194    11.288   27.976   14.345
LGA    A    47_A      A    47_A     4.620     0    0.539   0.569     5.607   42.500   38.286
LGA    D    48_A      D    48_A     1.357     0    0.573   1.206     6.154   83.810   56.667
LGA    I    49_A      I    49_A     0.647     0    0.118   1.289     2.609   88.214   79.762
LGA    E    50_A      E    50_A     1.027     0    0.067   1.188     3.147   83.690   73.439
LGA    P    51_A      P    51_A     1.648     0    0.017   0.064     1.792   75.000   74.082
LGA    F    52_A      F    52_A     1.751     0    0.018   1.139     4.141   72.857   65.714
LGA    L    53_A      L    53_A     1.225     0    0.021   0.528     2.416   81.429   80.476
LGA    K    54_A      K    54_A     1.303     0    0.027   0.628     2.224   77.143   77.672
LGA    N    55_A      N    55_A     2.380     0    0.225   0.898     5.570   64.881   51.786
LGA    S    56_A      S    56_A     2.505     0    0.053   0.581     3.194   59.048   58.492
LGA    S    57_A      S    57_A     2.949     0    0.029   0.717     4.888   57.143   52.857
LGA    Q    58_A      Q    58_A     3.568     0    0.038   1.131     9.742   48.333   27.989
LGA    F    59_A      F    59_A     3.389     0    0.027   0.053     5.084   53.571   43.377
LGA    F    60_A      F    60_A     1.584     0    0.134   0.275     2.150   75.119   80.043
LGA    Q    61_A      Q    61_A     1.250     0    0.109   1.000     5.156   81.429   63.598
LGA    S    62_A      S    62_A     1.844     0    0.046   0.063     2.245   70.833   68.810
LGA    Y    63_A      Y    63_A     1.423     0    0.049   0.157     2.425   81.429   74.444
LGA    V    64_A      V    64_A     0.439     0    0.045   1.041     2.281   92.857   85.646
LGA    E    65_A      E    65_A     1.238     0    0.038   0.961     5.802   83.690   62.804
LGA    R    66_A      R    66_A     1.551     0    0.033   0.994     4.791   79.286   68.009
LGA    G    67_A      G    67_A     0.961     0    0.090   0.090     1.040   88.214   88.214
LGA    L    68_A      L    68_A     0.125     0    0.041   0.073     0.796  100.000   98.810
LGA    R    69_A      R    69_A     0.841     0    0.030   1.321     6.573   90.595   67.273
LGA    V    70_A      V    70_A     0.383     0    0.095   1.119     3.242   97.619   86.258
LGA    I    71_A      I    71_A     0.782     0    0.033   0.668     2.210   88.333   85.060
LGA    E    72_A      E    72_A     1.606     0    0.062   0.840     5.097   75.000   61.058
LGA    M    73_A      M    73_A     1.341     0    0.022   1.017     2.416   81.429   77.262
LGA    E    74_A      E    74_A     1.305     0    0.047   0.219     1.311   81.429   82.434
LGA    R    75_A      R    75_A     1.396     0    0.046   1.168     4.313   77.143   71.039
LGA    E    76_A      E    76_A     2.133     0    0.016   0.874     3.834   62.976   58.254
LGA    G    77_A      G    77_A     2.793     0    0.390   0.390     2.793   61.071   61.071
LGA    K    78_A      K    78_A     5.086     0    0.509   0.911    10.219   34.881   17.566
LGA    G    79_A      G    79_A     6.987     0    0.210   0.210     7.595   12.738   12.738
LGA    R    80_A      R    80_A     6.611     0    0.574   1.383    17.352   25.833    9.654
LGA    I    81_A      I    81_A     2.931     0    0.475   1.364    10.117   54.167   32.798
LGA    S    82_A      S    82_A     5.092     0    0.332   0.359     7.482   32.381   24.921
LGA    T    83_A      T    83_A     6.675     0    0.532   1.115     8.892   10.119   21.429
LGA    S    84_A      S    84_A    13.254     0    0.103   0.153    15.062    0.000    0.000
LGA    T    85_A      T    85_A    18.912     0    0.546   0.655    23.760    0.000    0.000
LGA    G    86_A      G    86_A    18.797     0    0.043   0.043    19.822    0.000    0.000
LGA    I    87_A      I    87_A    20.411     0    0.106   0.954    25.387    0.000    0.000
LGA    S    88_A      S    88_A    18.730     0    0.306   0.756    19.289    0.000    0.000
LGA    P    89_A      P    89_A    18.007     0    0.241   0.418    21.115    0.000    0.000
LGA    Q    90_A      Q    90_A    19.044     0    0.068   1.226    25.374    0.000    0.000
LGA    M    91_A      M    91_A    17.140     0    0.554   0.730    20.697    0.000    0.000
LGA    E    92_A      E    92_A    17.643     0    0.385   0.480    22.051    0.000    0.000
LGA    V    93_A      V    93_A    19.632     0    0.279   1.235    24.111    0.000    0.000
LGA    T    94_A      T    94_A    19.884     0    0.302   1.180    22.205    0.000    0.000
LGA    C    95_A      C    95_A    20.845     0    0.543   0.888    23.748    0.000    0.000
LGA    V    96_A      V    96_A    18.867     0    0.100   1.231    21.719    0.000    0.000
LGA    P    97_A      P    97_A    15.203     0    0.243   0.421    18.538    0.000    0.000
LGA    T    98_A      T    98_A    13.805     0    0.049   0.649    13.857    0.000    0.000
LGA    P    99_A      P    99_A    15.646     0    0.273   0.274    18.743    0.000    0.000
LGA    T   100_A      T   100_A    13.453     0    0.411   1.167    14.352    0.000    0.000
LGA    S   101_A      S   101_A    15.280     0    0.537   0.709    17.288    0.000    0.000
LGA    T   102_A      T   102_A    17.183     0    0.554   0.873    19.796    0.000    0.000
LGA    V   103_A      V   103_A    11.687     0    0.616   0.858    13.746    0.000    1.701
LGA    S   104_A      S   104_A    13.936     0    0.163   0.654    15.443    0.000    0.000
LGA    S   105_A      S   105_A    18.530     0    0.288   0.320    19.906    0.000    0.000
LGA    I   106_A      I   106_A    18.942     0    0.071   0.095    20.495    0.000    0.000
LGA    G   107_A      G   107_A    22.508     0    0.188   0.188    23.021    0.000    0.000
LGA    N   108_A      N   108_A    25.681     0    0.111   0.853    27.954    0.000    0.000
LGA    T   109_A      T   109_A    30.510     0    0.299   0.305    32.999    0.000    0.000
LGA    N   110_A      N   110_A    37.462     0    0.065   0.218    38.529    0.000    0.000
LGA    G   111_A      G   111_A    39.852     0    0.534   0.534    39.852    0.000    0.000
LGA    E   112_A      E   112_A    39.971     0    0.040   1.130    41.622    0.000    0.000
LGA    E   113_A      E   113_A    35.505     0    0.450   1.127    37.350    0.000    0.000
LGA    V   114_A      V   114_A    37.405     0    0.123   1.040    39.470    0.000    0.000
LGA    G   115_A      G   115_A    38.102     0    0.584   0.584    39.607    0.000    0.000
LGA    P   116_A      P   116_A    41.034     0    0.020   0.055    43.116    0.000    0.000
LGA    S   117_A      S   117_A    45.713     0    0.059   0.600    47.189    0.000    0.000
LGA    V   118_A      V   118_A    43.174     0    0.046   0.945    43.610    0.000    0.000
LGA    Y   119_A      Y   119_A    40.961     0    0.028   1.376    43.031    0.000    0.000
LGA    L   120_A      L   120_A    46.047     0    0.022   0.078    48.122    0.000    0.000
LGA    E   121_A      E   121_A    48.627     0    0.051   0.932    51.251    0.000    0.000
LGA    R   122_A      R   122_A    44.482     0    0.012   1.059    45.569    0.000    0.000
LGA    L   123_A      L   123_A    44.088     0    0.052   0.373    46.446    0.000    0.000
LGA    K   124_A      K   124_A    50.476     0    0.057   0.938    61.341    0.000    0.000
LGA    I   125_A      I   125_A    50.498     0    0.015   0.096    51.758    0.000    0.000
LGA    L   126_A      L   126_A    45.657     0    0.068   0.335    47.003    0.000    0.000
LGA    R   127_A      R   127_A    48.497     0    0.051   0.961    53.870    0.000    0.000
LGA    Q   128_A      Q   128_A    54.328     0    0.067   0.765    58.418    0.000    0.000
LGA    R   129_A      R   129_A    52.015     0    0.108   1.136    52.544    0.000    0.000
LGA    C   130_A      C   130_A    49.307     0    0.187   0.177    51.163    0.000    0.000
LGA    G   131_A      G   131_A    54.835     0    0.664   0.664    54.835    0.000    0.000
LGA    L   132_A      L   132_A    55.635     0    0.594   0.591    57.751    0.000    0.000
LGA    D   133_A      D   133_A    59.506     0    0.368   1.216    62.083    0.000    0.000
LGA    N   134_A      N   134_A    62.295     0    0.305   1.283    65.634    0.000    0.000
LGA    T   135_A      T   135_A    69.431     0    0.414   1.119    71.855    0.000    0.000
LGA    K   136_A      K   136_A    72.921     0    0.211   1.169    74.881    0.000    0.000
LGA    Q   137_A      Q   137_A    79.428     0    0.114   0.906    82.946    0.000    0.000
LGA    D   138_A      D   138_A    80.746     0    0.588   0.574    83.770    0.000    0.000
LGA    D   139_A      D   139_A    87.165     0    0.037   1.260    92.719    0.000    0.000
LGA    R   140_A      R   140_A    85.870     0    0.179   1.513    86.660    0.000    0.000
LGA    P   141_A      P   141_A    84.570     0    0.108   0.520    87.063    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    22.087         21.978                 22.613           37.079   33.611

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     66    1.90    41.135    39.490     3.300

LGA_LOCAL      RMSD:   1.900  Number of atoms:   66  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.143  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  22.087  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.421450 * X  +  -0.681013 * Y  +   0.598833 * Z  +  -3.854637
  Y_new =  -0.694518 * X  +  -0.182220 * Y  +  -0.696018 * Z  +  -3.459545
  Z_new =   0.583117 * X  +  -0.709237 * Y  +  -0.396179 * Z  +   0.706259 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.116218 -0.622560 -2.080218   [DEG: -121.2504  -35.6701 -119.1877 ]
ZXZ:  0.710483  1.978148  2.453476   [DEG:   40.7077  113.3395  140.5738 ]
 
# END of job
