
#######################################################
#                                                     #
#                        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:    90       3_A - 92_A        4.88    24.22
  LONGEST_CONTINUOUS_SEGMENT:    90       4_A - 93_A        4.91    23.99
  LCS_AVERAGE:     48.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      11_A - 77_A        1.97    24.25
  LONGEST_CONTINUOUS_SEGMENT:    67      12_A - 78_A        2.00    24.25
  LCS_AVERAGE:     29.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        0.93    23.55
  LONGEST_CONTINUOUS_SEGMENT:    35      11_A - 45_A        0.95    23.52
  LCS_AVERAGE:     13.32

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      4    6   81      3    4    4    5    7    9   12   13   19   25   27   44   51   56   68   71   73   76   79   79 
LCS_GDT     S     2_A     S     2_A      4    6   81      3    4    4    5    7    9   12   18   23   25   39   46   54   69   70   73   75   77   79   81 
LCS_GDT     R     3_A     R     3_A      4   40   90      3    4    8   13   19   22   33   45   52   58   62   67   70   72   75   77   77   79   80   82 
LCS_GDT     I     4_A     I     4_A     15   43   90      4    8   12   16   22   29   44   50   56   61   68   71   73   76   79   80   83   84   86   88 
LCS_GDT     D     5_A     D     5_A     17   45   90      4    9   15   25   39   43   49   55   63   67   68   75   78   80   81   81   83   84   86   88 
LCS_GDT     E     6_A     E     6_A     19   46   90      5   15   25   37   41   48   54   60   66   69   75   79   79   80   81   81   83   84   86   88 
LCS_GDT     K     7_A     K     7_A     19   47   90      5   15   25   37   43   49   59   64   68   73   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S     8_A     S     8_A     31   47   90      5   17   33   41   48   56   63   67   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S     9_A     S     9_A     33   47   90      4   13   25   40   47   54   63   67   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    10_A     K    10_A     35   47   90      6   23   34   41   49   58   63   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     A    11_A     A    11_A     35   67   90      8   26   37   45   55   61   66   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    12_A     K    12_A     35   67   90      8   26   37   51   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     V    13_A     V    13_A     35   67   90      8   27   37   51   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     N    14_A     N    14_A     35   67   90      8   27   37   51   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     D    15_A     D    15_A     35   67   90      8   30   37   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     F    16_A     F    16_A     35   67   90      8   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     L    17_A     L    17_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     A    18_A     A    18_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    19_A     E    19_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     I    20_A     I    20_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     F    21_A     F    21_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    22_A     K    22_A     35   67   90     18   30   41   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    23_A     K    23_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     I    24_A     I    24_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     G    25_A     G    25_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S    26_A     S    26_A     35   67   90     12   30   41   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    27_A     K    27_A     35   67   90     10   27   39   51   57   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    28_A     E    28_A     35   67   90     18   30   41   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     N    29_A     N    29_A     35   67   90     14   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     T    30_A     T    30_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    31_A     K    31_A     35   67   90     12   30   41   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    32_A     E    32_A     35   67   90     12   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     G    33_A     G    33_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     L    34_A     L    34_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     A    35_A     A    35_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    36_A     E    36_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     L    37_A     L    37_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Y    38_A     Y    38_A     35   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    39_A     E    39_A     35   67   90     17   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Y    40_A     Y    40_A     35   67   90     14   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    41_A     K    41_A     35   67   90     14   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    42_A     K    42_A     35   67   90     14   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    43_A     K    43_A     35   67   90     12   30   40   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Y    44_A     Y    44_A     35   67   90     12   24   37   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S    45_A     S    45_A     35   67   90      3   19   31   47   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     D    46_A     D    46_A      4   67   90      3    4    4   11   13   23   38   51   62   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     A    47_A     A    47_A      4   67   90      3    5   20   31   48   57   65   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     D    48_A     D    48_A     25   67   90      9   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     I    49_A     I    49_A     25   67   90     12   28   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    50_A     E    50_A     25   67   90     10   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     P    51_A     P    51_A     25   67   90     14   25   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     F    52_A     F    52_A     25   67   90     14   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     L    53_A     L    53_A     25   67   90     14   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    54_A     K    54_A     25   67   90     14   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     N    55_A     N    55_A     25   67   90      6   24   41   52   56   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S    56_A     S    56_A     25   67   90      7   19   37   52   56   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S    57_A     S    57_A     25   67   90      5   19   36   47   56   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Q    58_A     Q    58_A     25   67   90      4   14   34   46   56   61   67   69   74   76   78   79   79   80   81   81   83   84   85   88 
LCS_GDT     F    59_A     F    59_A     25   67   90      4   19   35   46   56   61   67   69   74   76   78   79   79   80   81   81   83   84   85   88 
LCS_GDT     F    60_A     F    60_A     25   67   90      4   24   41   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Q    61_A     Q    61_A     25   67   90     14   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S    62_A     S    62_A     25   67   90      8   24   41   52   57   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Y    63_A     Y    63_A     25   67   90      8   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     V    64_A     V    64_A     25   67   90     14   28   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    65_A     E    65_A     25   67   90      8   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     R    66_A     R    66_A     25   67   90      8   24   41   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     G    67_A     G    67_A     25   67   90     10   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     L    68_A     L    68_A     25   67   90     18   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     R    69_A     R    69_A     25   67   90     17   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     V    70_A     V    70_A     25   67   90     15   30   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     I    71_A     I    71_A     25   67   90     14   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    72_A     E    72_A     25   67   90      9   24   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     M    73_A     M    73_A     21   67   90     11   25   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    74_A     E    74_A     21   67   90     11   25   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     R    75_A     R    75_A     21   67   90     11   26   42   52   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    76_A     E    76_A     19   67   90      5   17   37   51   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     G    77_A     G    77_A     19   67   90      5   17   30   48   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     K    78_A     K    78_A      4   67   90      4   11   21   39   54   59   61   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     G    79_A     G    79_A      4    5   90      3    4    8   10   13   18   23   29   54   60   66   70   74   78   80   81   83   84   86   88 
LCS_GDT     R    80_A     R    80_A      4    6   90      3    5    5    5    6   11   16   16   20   24   26   54   58   66   74   79   80   83   86   88 
LCS_GDT     I    81_A     I    81_A      4    6   90      3    4    4    4    8    9   10   15   16   17   26   48   62   69   74   79   80   83   86   88 
LCS_GDT     S    82_A     S    82_A      3    6   90      3    3    3    4    8    9   11   15   20   24   50   59   70   72   76   79   80   83   86   88 
LCS_GDT     T    83_A     T    83_A      3    6   90      3    3    4    4    5    7    7    9   16   18   30   54   58   64   67   72   80   80   81   83 
LCS_GDT     S    84_A     S    84_A      3    6   90      3    3    4    4    8    9   16   16   32   55   65   69   74   78   78   79   82   83   86   88 
LCS_GDT     T    85_A     T    85_A      5    8   90      3    4    5    7    7   11   16   16   20   24   72   77   79   80   80   81   83   84   86   88 
LCS_GDT     G    86_A     G    86_A      5    8   90      2    4    5    7    8    9   16   16   68   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     I    87_A     I    87_A      5    8   90      2    4    5    7    7   11   45   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     S    88_A     S    88_A      5    8   90      2    4    5   24   51   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     P    89_A     P    89_A      5    8   90      2    4    5   43   52   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     Q    90_A     Q    90_A      4    8   90      1   17   32   46   58   62   67   69   74   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     M    91_A     M    91_A      4    8   90      2    4    5   10   39   57   62   69   72   76   78   79   79   80   81   81   83   84   86   88 
LCS_GDT     E    92_A     E    92_A      4    8   90      4    4    5    5    7    8   18   59   65   70   71   75   78   80   81   81   83   84   86   88 
LCS_GDT     V    93_A     V    93_A      4    5   90      4    4    4    5    5    6    9   51   58   61   68   71   73   76   78   79   81   81   83   85 
LCS_GDT     T    94_A     T    94_A      4    5   14      4    4    4    5    5    6    9   11   13   20   37   43   54   68   71   74   75   77   79   81 
LCS_GDT     C    95_A     C    95_A      4    8   17      4    4    5    7    7    8   10   15   18   32   43   47   54   58   64   68   73   76   79   81 
LCS_GDT     V    96_A     V    96_A      4    8   17      2    3    5   12   18   23   26   28   34   40   43   47   51   58   61   68   71   76   79   81 
LCS_GDT     P    97_A     P    97_A      4    8   17      2    4    5    6   18   23   26   28   31   35   43   47   51   58   61   67   71   75   79   81 
LCS_GDT     T    98_A     T    98_A      4    8   17      2    3    5    8   10   15   19   21   28   32   39   42   46   51   54   61   69   69   76   79 
LCS_GDT     P    99_A     P    99_A      4    8   18      3    4    5    7    7   16   16   19   21   29   36   39   43   44   48   51   59   67   70   76 
LCS_GDT     T   100_A     T   100_A      4    8   18      3    3    5   10   12   16   16   19   23   29   36   38   43   44   48   51   55   64   67   76 
LCS_GDT     S   101_A     S   101_A      4    8   18      3    4    5    7    7    8   16   18   21   29   30   36   43   44   46   50   53   59   62   65 
LCS_GDT     T   102_A     T   102_A      3    9   18      2    4    6   10   12   16   19   28   31   35   39   42   48   52   57   62   69   73   76   80 
LCS_GDT     V   103_A     V   103_A      6    9   18      3    5    6    9   10   13   21   23   28   33   38   40   43   47   54   58   64   68   73   79 
LCS_GDT     S   104_A     S   104_A      6    9   18      3    5    6    9   10   13   21   23   25   29   38   40   43   47   52   57   64   68   73   79 
LCS_GDT     S   105_A     S   105_A      6    9   18      3    5    6    9   10   14   21   23   29   33   39   42   44   52   57   62   69   73   76   80 
LCS_GDT     I   106_A     I   106_A      6    9   18      3    5    6   15   18   23   26   28   31   35   39   42   48   54   61   67   70   73   77   81 
LCS_GDT     G   107_A     G   107_A      6    9   27      3    5    9   15   18   23   26   28   31   35   39   47   51   58   61   67   71   75   79   81 
LCS_GDT     N   108_A     N   108_A      6    9   27      3    5    6   15   18   23   26   28   31   38   43   47   54   59   62   68   72   76   79   81 
LCS_GDT     T   109_A     T   109_A      5    9   27      3    4    6    8    8   12   17   25   30   38   43   49   54   60   64   68   73   76   79   82 
LCS_GDT     N   110_A     N   110_A      5    9   27      3    4    6    8   11   12   16   19   30   35   43   50   55   60   67   70   73   76   79   82 
LCS_GDT     G   111_A     G   111_A      5    9   28      3    4    5    7    9   10   12   17   22   27   36   38   47   54   61   68   71   73   77   80 
LCS_GDT     E   112_A     E   112_A      3    8   28      3    3    5    7    9   10   11   12   13   16   20   25   28   31   35   38   44   48   58   75 
LCS_GDT     E   113_A     E   113_A      4    5   28      3    4    5    6    9   13   18   18   22   23   25   25   30   31   35   38   41   44   47   49 
LCS_GDT     V   114_A     V   114_A      4   23   28      3    4    7   10   12   16   22   23   24   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     G   115_A     G   115_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   34   38   40   41   47   48 
LCS_GDT     P   116_A     P   116_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   34   38   40   42   47   48 
LCS_GDT     S   117_A     S   117_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   48 
LCS_GDT     V   118_A     V   118_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     Y   119_A     Y   119_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   120_A     L   120_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     E   121_A     E   121_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     R   122_A     R   122_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   123_A     L   123_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     K   124_A     K   124_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     I   125_A     I   125_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   126_A     L   126_A     17   23   28      7   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     R   127_A     R   127_A     17   23   28      7   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     Q   128_A     Q   128_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     R   129_A     R   129_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   51 
LCS_GDT     C   130_A     C   130_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     G   131_A     G   131_A     17   23   28      6   15   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   132_A     L   132_A      7   23   28      3    3    7   16   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     D   133_A     D   133_A      7   23   28      3    5   17   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     N   134_A     N   134_A      7   23   28      3    5    9   17   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     T   135_A     T   135_A      7   23   28      3   11   18   19   19   22   22   23   26   27   28   28   30   32   34   38   41   44   47   48 
LCS_GDT     K   136_A     K   136_A      7   23   28      3    5    9   16   19   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     Q   137_A     Q   137_A      7   10   28      3    5    7    8   10   13   18   21   24   24   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     D   138_A     D   138_A      7   10   28      3    5    7    8   10   11   12   12   14   15   16   20   23   26   34   38   41   44   47   48 
LCS_GDT     D   139_A     D   139_A      4   10   28      3    3    7    8   10   11   12   12   14   15   16   19   22   26   30   38   41   44   47   48 
LCS_GDT     R   140_A     R   140_A      3    4   28      3    3    3    3    6    8   10   12   12   13   14   16   17   21   27   32   35   44   46   48 
LCS_GDT     P   141_A     P   141_A      0    4   18      0    2    3    3    4    4    4    4    5    5   15   15   17   19   21   25   26   29   33   34 
LCS_AVERAGE  LCS_A:  30.11  (  13.32   29.00   48.01 )

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     18     30     42     52     58     62     67     69     74     76     78     79     79     80     81     81     83     84     86     88 
GDT PERCENT_AT  12.77  21.28  29.79  36.88  41.13  43.97  47.52  48.94  52.48  53.90  55.32  56.03  56.03  56.74  57.45  57.45  58.87  59.57  60.99  62.41
GDT RMS_LOCAL    0.35   0.59   1.00   1.20   1.50   1.61   1.83   1.96   2.40   2.54   2.75   2.89   2.89   3.02   3.16   3.16   3.50   3.67   4.43   4.43
GDT RMS_ALL_AT  23.95  23.71  24.43  24.40  24.13  24.18  24.32  24.28  24.30  24.17  24.24  24.22  24.22  24.23  24.13  24.13  24.10  24.05  24.02  24.12

# Checking swapping
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    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:  D    48_A      D    48_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  D   138_A      D   138_A
#   possible swapping detected:  D   139_A      D   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    19.880     0    0.094   0.124    21.196    0.000    0.000
LGA    S     2_A      S     2_A    19.299     0    0.248   0.751    21.198    0.000    0.000
LGA    R     3_A      R     3_A    16.309     0    0.312   1.015    25.964    0.000    0.000
LGA    I     4_A      I     4_A    13.640     0    0.198   0.200    17.858    0.000    0.000
LGA    D     5_A      D     5_A    11.210     0    0.193   0.457    12.511    0.119    0.119
LGA    E     6_A      E     6_A     9.538     0    0.023   0.836    12.618    2.619    1.164
LGA    K     7_A      K     7_A     8.440     0    0.073   0.712     9.615    8.333    4.709
LGA    S     8_A      S     8_A     6.572     0    0.037   0.182     7.452   16.667   15.000
LGA    S     9_A      S     9_A     6.416     0    0.039   0.564     7.578   20.833   17.937
LGA    K    10_A      K    10_A     5.347     0    0.111   0.651     9.541   29.048   17.672
LGA    A    11_A      A    11_A     4.152     0    0.034   0.044     4.583   40.476   39.810
LGA    K    12_A      K    12_A     3.075     0    0.016   0.078     4.544   51.905   45.873
LGA    V    13_A      V    13_A     2.921     0    0.043   0.747     4.534   57.262   49.660
LGA    N    14_A      N    14_A     2.892     0    0.041   1.105     4.878   60.952   51.488
LGA    D    15_A      D    15_A     2.115     0    0.024   0.974     4.933   70.952   57.560
LGA    F    16_A      F    16_A     0.904     0    0.025   0.108     1.357   88.214   84.719
LGA    L    17_A      L    17_A     1.180     0    0.039   1.390     2.788   81.429   74.286
LGA    A    18_A      A    18_A     1.808     0    0.034   0.035     2.098   72.857   71.238
LGA    E    19_A      E    19_A     1.430     0    0.041   0.877     2.673   79.286   79.788
LGA    I    20_A      I    20_A     0.913     0    0.026   0.038     1.333   85.952   90.595
LGA    F    21_A      F    21_A     1.638     0    0.023   0.130     2.201   70.952   75.281
LGA    K    22_A      K    22_A     2.317     0    0.031   0.101     3.706   64.762   56.667
LGA    K    23_A      K    23_A     2.043     0    0.034   0.874     2.522   68.810   71.429
LGA    I    24_A      I    24_A     1.522     0    0.039   0.071     1.945   72.857   80.536
LGA    G    25_A      G    25_A     1.994     0    0.171   0.171     3.034   65.119   65.119
LGA    S    26_A      S    26_A     2.509     0    0.122   0.213     2.868   60.952   59.683
LGA    K    27_A      K    27_A     3.121     0    0.106   1.004     7.540   53.571   36.032
LGA    E    28_A      E    28_A     2.622     0    0.044   0.343     3.207   60.952   58.095
LGA    N    29_A      N    29_A     1.471     0    0.029   0.914     2.231   77.143   78.333
LGA    T    30_A      T    30_A     2.062     0    0.029   0.901     4.298   66.786   59.864
LGA    K    31_A      K    31_A     2.215     0    0.017   1.114     8.962   68.810   44.444
LGA    E    32_A      E    32_A     1.221     0    0.023   1.141     4.682   85.952   70.952
LGA    G    33_A      G    33_A     0.781     0    0.040   0.040     0.942   90.476   90.476
LGA    L    34_A      L    34_A     0.901     0    0.021   0.083     1.355   90.476   85.952
LGA    A    35_A      A    35_A     0.814     0    0.020   0.029     0.910   90.476   90.476
LGA    E    36_A      E    36_A     0.871     0    0.023   0.102     1.963   90.476   82.593
LGA    L    37_A      L    37_A     0.449     0    0.040   0.176     0.917   97.619   96.429
LGA    Y    38_A      Y    38_A     0.375     0    0.029   0.123     0.984   97.619   94.444
LGA    E    39_A      E    39_A     0.734     0    0.029   0.874     2.717   88.214   80.106
LGA    Y    40_A      Y    40_A     0.662     0    0.031   0.215     2.057   90.476   84.603
LGA    K    41_A      K    41_A     0.530     0    0.032   0.574     2.057   92.857   89.735
LGA    K    42_A      K    42_A     0.850     0    0.035   0.606     2.935   85.952   84.762
LGA    K    43_A      K    43_A     1.654     0    0.098   0.951     3.200   69.048   66.878
LGA    Y    44_A      Y    44_A     2.219     0    0.366   0.413     3.372   64.881   59.246
LGA    S    45_A      S    45_A     2.722     0    0.334   0.497     3.619   53.810   54.921
LGA    D    46_A      D    46_A     6.157     0    0.580   1.221    11.291   27.976   14.345
LGA    A    47_A      A    47_A     4.510     0    0.533   0.567     5.512   42.500   38.286
LGA    D    48_A      D    48_A     1.285     0    0.597   1.163     7.274   88.333   56.190
LGA    I    49_A      I    49_A     0.729     0    0.103   0.167     1.172   85.952   89.405
LGA    E    50_A      E    50_A     0.822     0    0.044   1.242     3.865   90.476   75.026
LGA    P    51_A      P    51_A     1.196     0    0.032   0.066     1.307   81.429   81.429
LGA    F    52_A      F    52_A     1.253     0    0.012   1.104     4.642   81.429   66.494
LGA    L    53_A      L    53_A     0.879     0    0.028   0.588     2.397   85.952   83.869
LGA    K    54_A      K    54_A     0.945     0    0.052   0.946     3.728   83.810   73.122
LGA    N    55_A      N    55_A     2.326     0    0.224   0.271     2.861   64.881   61.964
LGA    S    56_A      S    56_A     2.487     0    0.060   0.549     3.448   60.952   59.762
LGA    S    57_A      S    57_A     2.889     0    0.046   0.703     5.029   57.143   51.984
LGA    Q    58_A      Q    58_A     3.424     0    0.037   1.177     8.844   50.000   31.481
LGA    F    59_A      F    59_A     3.166     0    0.002   1.177     3.213   53.571   57.359
LGA    F    60_A      F    60_A     1.501     0    0.122   0.244     2.069   75.119   84.113
LGA    Q    61_A      Q    61_A     1.346     0    0.099   1.027     5.376   79.286   62.646
LGA    S    62_A      S    62_A     1.891     0    0.020   0.066     2.299   70.833   68.810
LGA    Y    63_A      Y    63_A     1.440     0    0.035   0.188     2.464   81.429   74.444
LGA    V    64_A      V    64_A     0.477     0    0.034   1.031     2.169   92.857   85.850
LGA    E    65_A      E    65_A     1.420     0    0.027   1.154     5.238   79.286   63.280
LGA    R    66_A      R    66_A     1.791     0    0.025   0.991     4.096   72.857   69.134
LGA    G    67_A      G    67_A     1.158     0    0.053   0.053     1.303   85.952   85.952
LGA    L    68_A      L    68_A     0.295     0    0.037   0.072     0.666   97.619   97.619
LGA    R    69_A      R    69_A     1.001     0    0.023   1.369     6.352   85.952   67.836
LGA    V    70_A      V    70_A     0.812     0    0.094   1.122     3.570   95.238   82.653
LGA    I    71_A      I    71_A     0.299     0    0.041   0.631     1.790   95.238   91.845
LGA    E    72_A      E    72_A     1.109     0    0.062   0.403     3.176   83.690   73.386
LGA    M    73_A      M    73_A     0.811     0    0.032   0.906     3.255   90.476   79.226
LGA    E    74_A      E    74_A     0.709     0    0.035   0.462     1.629   90.476   89.577
LGA    R    75_A      R    75_A     0.651     0    0.029   1.072     2.964   85.952   82.078
LGA    E    76_A      E    76_A     1.676     0    0.056   0.841     4.256   70.952   62.751
LGA    G    77_A      G    77_A     2.485     0    0.034   0.034     2.485   68.810   68.810
LGA    K    78_A      K    78_A     5.629     0    0.530   0.873    12.295   22.143   11.111
LGA    G    79_A      G    79_A    10.759     0    0.181   0.181    13.958    1.190    1.190
LGA    R    80_A      R    80_A    13.661     0    0.631   1.428    21.395    0.000    0.000
LGA    I    81_A      I    81_A    12.945     0    0.635   1.067    13.407    0.000    0.000
LGA    S    82_A      S    82_A    13.275     0    0.056   0.077    16.099    0.000    0.000
LGA    T    83_A      T    83_A    15.908     0    0.550   1.089    19.788    0.000    0.000
LGA    S    84_A      S    84_A    12.482     0    0.206   0.700    15.089    0.119    0.079
LGA    T    85_A      T    85_A     8.542     0    0.550   0.582    10.048    5.833    4.694
LGA    G    86_A      G    86_A     6.529     0    0.197   0.197     6.627   22.500   22.500
LGA    I    87_A      I    87_A     5.543     0    0.102   0.686     8.428   25.119   16.964
LGA    S    88_A      S    88_A     3.485     0    0.090   0.496     4.541   40.476   47.460
LGA    P    89_A      P    89_A     3.785     0    0.129   0.383     7.556   36.429   27.755
LGA    Q    90_A      Q    90_A     2.813     0    0.189   1.190     8.234   55.833   39.894
LGA    M    91_A      M    91_A     5.521     0    0.473   0.713     8.668   19.286   15.000
LGA    E    92_A      E    92_A     8.975     0    0.351   0.602    10.304    2.857    1.587
LGA    V    93_A      V    93_A    14.786     0    0.074   0.971    18.623    0.000    0.000
LGA    T    94_A      T    94_A    21.764     0    0.139   1.135    23.734    0.000    0.000
LGA    C    95_A      C    95_A    28.520     0    0.574   0.951    30.106    0.000    0.000
LGA    V    96_A      V    96_A    31.849     0    0.124   1.088    35.135    0.000    0.000
LGA    P    97_A      P    97_A    32.639     0    0.119   0.314    36.186    0.000    0.000
LGA    T    98_A      T    98_A    36.496     0    0.181   0.411    37.426    0.000    0.000
LGA    P    99_A      P    99_A    38.923     0    0.161   0.303    42.769    0.000    0.000
LGA    T   100_A      T   100_A    39.149     0    0.136   1.003    39.950    0.000    0.000
LGA    S   101_A      S   101_A    39.181     0    0.562   0.726    40.924    0.000    0.000
LGA    T   102_A      T   102_A    33.438     0    0.559   0.527    35.342    0.000    0.000
LGA    V   103_A      V   103_A    33.587     0    0.577   0.549    35.812    0.000    0.000
LGA    S   104_A      S   104_A    32.967     0    0.271   0.678    34.821    0.000    0.000
LGA    S   105_A      S   105_A    29.502     0    0.131   0.761    30.944    0.000    0.000
LGA    I   106_A      I   106_A    28.773     0    0.142   0.196    30.099    0.000    0.000
LGA    G   107_A      G   107_A    26.630     0    0.154   0.154    28.580    0.000    0.000
LGA    N   108_A      N   108_A    24.362     0    0.063   0.395    25.417    0.000    0.000
LGA    T   109_A      T   109_A    23.997     0    0.115   0.318    27.316    0.000    0.000
LGA    N   110_A      N   110_A    24.243     0    0.258   0.343    25.873    0.000    0.000
LGA    G   111_A      G   111_A    27.674     0    0.526   0.526    29.501    0.000    0.000
LGA    E   112_A      E   112_A    30.455     0    0.406   1.181    31.771    0.000    0.000
LGA    E   113_A      E   113_A    35.665     0    0.464   1.171    40.381    0.000    0.000
LGA    V   114_A      V   114_A    38.407     0    0.105   1.017    40.801    0.000    0.000
LGA    G   115_A      G   115_A    40.853     0    0.577   0.577    41.093    0.000    0.000
LGA    P   116_A      P   116_A    43.346     0    0.063   0.079    46.362    0.000    0.000
LGA    S   117_A      S   117_A    43.110     0    0.042   0.576    44.116    0.000    0.000
LGA    V   118_A      V   118_A    36.720     0    0.044   0.927    39.035    0.000    0.000
LGA    Y   119_A      Y   119_A    36.688     0    0.008   1.378    37.984    0.000    0.000
LGA    L   120_A      L   120_A    41.631     0    0.026   0.141    47.618    0.000    0.000
LGA    E   121_A      E   121_A    39.412     0    0.033   1.025    43.224    0.000    0.000
LGA    R   122_A      R   122_A    33.176     0    0.024   1.185    35.400    0.000    0.000
LGA    L   123_A      L   123_A    35.271     0    0.018   0.307    38.881    0.000    0.000
LGA    K   124_A      K   124_A    39.855     0    0.044   0.966    47.531    0.000    0.000
LGA    I   125_A      I   125_A    35.797     0    0.016   0.040    37.085    0.000    0.000
LGA    L   126_A      L   126_A    31.090     0    0.056   0.839    32.681    0.000    0.000
LGA    R   127_A      R   127_A    36.268     0    0.026   0.876    46.306    0.000    0.000
LGA    Q   128_A      Q   128_A    39.282     0    0.058   0.918    42.400    0.000    0.000
LGA    R   129_A      R   129_A    33.554     0    0.118   1.080    35.267    0.000    0.000
LGA    C   130_A      C   130_A    32.864     0    0.204   0.195    35.044    0.000    0.000
LGA    G   131_A      G   131_A    39.668     0    0.667   0.667    41.716    0.000    0.000
LGA    L   132_A      L   132_A    42.601     0    0.480   0.617    45.112    0.000    0.000
LGA    D   133_A      D   133_A    49.109     0    0.375   0.979    53.445    0.000    0.000
LGA    N   134_A      N   134_A    52.644     0    0.038   1.224    53.896    0.000    0.000
LGA    T   135_A      T   135_A    58.135     0    0.082   0.326    61.185    0.000    0.000
LGA    K   136_A      K   136_A    61.565     0    0.237   1.176    62.923    0.000    0.000
LGA    Q   137_A      Q   137_A    64.800     0    0.223   0.552    74.263    0.000    0.000
LGA    D   138_A      D   138_A    62.847     0    0.570   1.155    64.323    0.000    0.000
LGA    D   139_A      D   139_A    65.780     0    0.172   1.058    71.011    0.000    0.000
LGA    R   140_A      R   140_A    63.541     0    0.338   1.655    74.524    0.000    0.000
LGA    P   141_A      P   141_A    59.233     0    0.088   0.519    60.471    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):    14.123         13.937                 14.489           38.115   35.019

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    1.96    41.135    40.521     3.350

LGA_LOCAL      RMSD:   1.960  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.277  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  14.123  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.512762 * X  +  -0.260146 * Y  +  -0.818168 * Z  +  39.523071
  Y_new =   0.465356 * X  +   0.885064 * Y  +   0.010231 * Z  +  18.200819
  Z_new =   0.721470 * X  +  -0.385986 * Y  +   0.574888 * Z  + -23.781549 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.736970 -0.805923 -0.591281   [DEG:   42.2253  -46.1760  -33.8779 ]
ZXZ: -1.583301  0.958330  2.062050   [DEG:  -90.7165   54.9082  118.1468 ]
 
# END of job
