
#######################################################
#                                                     #
#                        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:    60       8_A - 67_A        4.95    22.56
  LONGEST_CONTINUOUS_SEGMENT:    60       9_A - 68_A        4.99    22.63
  LCS_AVERAGE:     28.79

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      25_A - 45_A        1.99    23.42
  LCS_AVERAGE:     10.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      28_A - 44_A        0.99    22.72
  LONGEST_CONTINUOUS_SEGMENT:    17     114_A - 130_A       0.93    25.37
  LCS_AVERAGE:      7.28

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    4    8      3    4    6    6    6    7    7    8    9   10   11   11   12   13   24   27   28   28   35   39 
LCS_GDT     S     2_A     S     2_A      4    5   24      3    4    6    6    6    7    7    8    9   10   11   11   15   19   20   23   26   28   35   39 
LCS_GDT     R     3_A     R     3_A      4    5   25      3    4    4    4    5    5    6   10   12   18   20   21   23   24   29   32   46   48   50   54 
LCS_GDT     I     4_A     I     4_A      4    5   25      3    4    4    4    5    7   11   13   17   20   21   25   25   28   29   32   46   48   50   54 
LCS_GDT     D     5_A     D     5_A      3    5   25      3    3    4    4    5    5    8   11   16   20   27   33   36   41   43   49   57   59   63   67 
LCS_GDT     E     6_A     E     6_A      3    5   25      3    3    4    4    7    8   16   17   19   22   27   33   36   42   48   53   58   61   63   67 
LCS_GDT     K     7_A     K     7_A      3    5   58      0    3    3    6    7    7   12   17   18   22   27   33   36   42   48   54   58   61   63   67 
LCS_GDT     S     8_A     S     8_A      3   16   60      1    3    5    7   12   14   16   18   21   28   37   45   53   54   56   58   59   61   64   67 
LCS_GDT     S     9_A     S     9_A      3   17   60      0    3    9   13   14   16   16   18   23   32   43   49   53   55   56   58   59   61   64   67 
LCS_GDT     K    10_A     K    10_A     14   17   60      5   12   13   14   15   16   25   33   39   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     A    11_A     A    11_A     14   17   60      8   12   13   14   15   16   23   33   39   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    12_A     K    12_A     14   17   60      8   12   13   14   16   24   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     V    13_A     V    13_A     14   17   60      8   12   13   14   15   17   28   35   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     N    14_A     N    14_A     14   17   60      8   12   13   14   15   17   28   35   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     D    15_A     D    15_A     14   17   60      8   12   13   14   15   24   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     F    16_A     F    16_A     14   17   60      8   12   13   14   19   24   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     L    17_A     L    17_A     14   17   60      8   12   13   14   15   24   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     A    18_A     A    18_A     14   17   60      8   12   13   14   15   21   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     E    19_A     E    19_A     14   17   60      7   12   13   14   17   23   29   36   40   44   46   49   53   55   56   58   59   61   64   67 
LCS_GDT     I    20_A     I    20_A     14   17   60      6   12   13   14   15   21   29   33   38   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     F    21_A     F    21_A     14   17   60      6   12   13   14   19   24   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    22_A     K    22_A     14   17   60      6   12   13   14   15   23   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    23_A     K    23_A     14   17   60      3    8   12   14   15   16   16   18   22   30   43   49   53   55   56   58   59   61   64   67 
LCS_GDT     I    24_A     I    24_A      8   17   60      3    5    8   13   15   16   16   17   19   28   41   49   53   55   56   58   59   61   64   67 
LCS_GDT     G    25_A     G    25_A      7   21   60      6    6    7   10   13   18   27   32   35   41   46   49   53   55   56   58   59   61   63   67 
LCS_GDT     S    26_A     S    26_A      7   21   60      6    6    8   14   20   24   29   33   40   44   46   50   53   55   56   58   59   61   63   67 
LCS_GDT     K    27_A     K    27_A      7   21   60      6    6   10   16   20   27   29   36   40   44   46   50   53   55   56   58   59   61   63   67 
LCS_GDT     E    28_A     E    28_A     17   21   60      6    6   10   15   20   27   29   36   40   44   46   50   53   55   56   58   59   61   63   67 
LCS_GDT     N    29_A     N    29_A     17   21   60      8   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   63   67 
LCS_GDT     T    30_A     T    30_A     17   21   60      6   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    31_A     K    31_A     17   21   60      5   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     E    32_A     E    32_A     17   21   60      8   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     G    33_A     G    33_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     L    34_A     L    34_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     A    35_A     A    35_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     E    36_A     E    36_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     L    37_A     L    37_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     Y    38_A     Y    38_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     E    39_A     E    39_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     Y    40_A     Y    40_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    41_A     K    41_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    42_A     K    42_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    43_A     K    43_A     17   21   60     10   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     Y    44_A     Y    44_A     17   21   60     11   16   16   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     S    45_A     S    45_A      4   21   60      3    4    4    6   12   19   26   31   40   44   46   50   52   55   56   57   58   59   61   63 
LCS_GDT     D    46_A     D    46_A     10   20   60      5    9   10   11   14   19   28   31   39   44   46   50   52   55   56   57   58   61   63   66 
LCS_GDT     A    47_A     A    47_A     10   20   60      7    9   10   11   17   22   29   31   40   44   46   50   52   55   56   57   58   61   63   67 
LCS_GDT     D    48_A     D    48_A     10   20   60      7    9   10   17   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     I    49_A     I    49_A     10   20   60      7    9   10   17   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     E    50_A     E    50_A     10   20   60      7    9   10   17   21   26   29   35   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     P    51_A     P    51_A     10   20   60      7    9   12   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     F    52_A     F    52_A     10   20   60      7    9   12   17   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     L    53_A     L    53_A     10   20   60      7    9   10   17   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     K    54_A     K    54_A     10   14   60      3    9   12   18   21   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     N    55_A     N    55_A     10   14   60      3    5   10   11   17   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     S    56_A     S    56_A      8   20   60      3    7   10   15   16   18   20   23   31   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     S    57_A     S    57_A     16   20   60      3   12   15   18   18   18   20   22   24   32   43   47   50   53   55   57   58   60   64   67 
LCS_GDT     Q    58_A     Q    58_A     16   20   60      4   14   15   18   20   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     F    59_A     F    59_A     16   20   60      5   14   15   18   18   18   20   22   30   33   40   50   53   55   56   58   59   61   64   67 
LCS_GDT     F    60_A     F    60_A     16   20   60      5   14   15   18   18   27   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     Q    61_A     Q    61_A     16   20   60      8   14   15   18   19   24   29   36   40   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     S    62_A     S    62_A     16   20   60      8   14   15   18   20   21   27   29   37   42   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     Y    63_A     Y    63_A     16   20   60      8   14   15   18   20   21   27   29   37   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     V    64_A     V    64_A     16   20   60      8   14   15   18   18   20   29   33   37   44   46   50   53   55   56   58   59   61   64   67 
LCS_GDT     E    65_A     E    65_A     16   20   60      8   14   15   18   18   18   20   22   24   26   31   39   44   53   56   58   59   61   64   67 
LCS_GDT     R    66_A     R    66_A     16   20   60      8   14   15   18   18   18   20   22   24   26   33   39   44   53   56   58   59   61   64   67 
LCS_GDT     G    67_A     G    67_A     16   20   60      8   14   15   18   18   18   20   22   27   36   42   49   53   54   56   58   59   61   64   67 
LCS_GDT     L    68_A     L    68_A     16   20   60      6   14   15   18   18   18   20   22   24   25   31   36   40   47   54   58   59   61   64   67 
LCS_GDT     R    69_A     R    69_A     16   20   31      6   14   15   18   18   18   20   22   24   25   29   35   40   42   47   53   57   60   64   67 
LCS_GDT     V    70_A     V    70_A     16   20   31      8   14   15   18   18   18   20   22   24   26   31   36   41   47   52   57   59   61   64   67 
LCS_GDT     I    71_A     I    71_A     16   20   31      6   14   15   18   18   18   20   22   24   26   31   36   43   48   54   58   59   61   64   67 
LCS_GDT     E    72_A     E    72_A     16   20   31      6    9   14   18   18   18   20   22   24   25   28   33   36   42   47   52   57   60   63   67 
LCS_GDT     M    73_A     M    73_A     15   20   31      6    9   13   18   18   18   20   22   24   25   29   35   40   42   47   53   57   60   63   67 
LCS_GDT     E    74_A     E    74_A     15   20   31      6   11   15   18   18   18   20   22   24   25   29   36   40   44   49   53   57   61   63   67 
LCS_GDT     R    75_A     R    75_A      3   20   31      3    4    8   12   16   18   20   22   24   26   31   36   40   43   48   53   57   61   63   67 
LCS_GDT     E    76_A     E    76_A      4    5   31      3    3    6    6    7   10   15   18   21   26   31   35   40   42   49   53   57   60   64   66 
LCS_GDT     G    77_A     G    77_A      4    5   31      3    3    6   11   14   16   20   21   22   26   31   35   40   42   47   53   57   60   64   66 
LCS_GDT     K    78_A     K    78_A      4    6   31      3    3    6   11   14   15   20   20   22   25   28   30   34   36   42   48   51   58   64   66 
LCS_GDT     G    79_A     G    79_A      4    6   31      3    3    8   12   16   17   20   21   22   25   28   30   34   36   41   48   51   58   64   66 
LCS_GDT     R    80_A     R    80_A      4    6   31      4    4    4    6   10   12   14   16   21   25   28   30   33   36   40   43   50   57   64   66 
LCS_GDT     I    81_A     I    81_A      4    6   31      4    4    4    8   10   12   14   16   19   20   21   24   26   29   33   35   42   54   63   65 
LCS_GDT     S    82_A     S    82_A      4    6   31      4    4    4    4    6    9   11   17   19   24   28   30   34   36   39   43   50   58   64   66 
LCS_GDT     T    83_A     T    83_A      4    8   31      4    4    4    5   14   15   20   20   21   24   28   30   34   36   39   42   50   58   64   66 
LCS_GDT     S    84_A     S    84_A      3   10   31      3    3    4    8    9   13   16   19   21   23   26   27   30   35   41   50   53   58   64   66 
LCS_GDT     T    85_A     T    85_A      6   10   30      3    5    6    8    9    9   11   12   13   17   26   27   30   35   41   50   53   58   64   66 
LCS_GDT     G    86_A     G    86_A      6   10   30      3    5    6    8    9    9   11   12   12   12   14   18   23   30   32   36   49   55   61   63 
LCS_GDT     I    87_A     I    87_A      6   10   16      4    4    6    8    9    9   11   12   12   12   14   14   18   20   26   44   51   54   61   63 
LCS_GDT     S    88_A     S    88_A      6   10   16      4    5    6    8    9    9   11   12   12   12   14   14   14   16   26   30   34   40   48   58 
LCS_GDT     P    89_A     P    89_A      6   10   16      4    5    6    8    9    9   11   12   12   12   14   14   15   21   36   41   49   54   56   61 
LCS_GDT     Q    90_A     Q    90_A      6   10   16      4    5    6    8    9    9   11   12   12   12   14   14   15   17   19   22   22   27   31   41 
LCS_GDT     M    91_A     M    91_A      4   10   16      3    4    4    5    9    9   11   12   12   12   14   14   15   17   19   22   22   24   25   27 
LCS_GDT     E    92_A     E    92_A      4   10   16      3    4    5    8    9    9   10   12   12   12   14   14   15   17   19   22   22   24   25   27 
LCS_GDT     V    93_A     V    93_A      3   10   16      3    3    4    6    9    9   10   12   12   12   14   14   14   16   19   22   22   24   25   27 
LCS_GDT     T    94_A     T    94_A      4    6   16      3    4    4    6    6    8    8   10   12   12   13   14   15   17   19   22   22   24   25   27 
LCS_GDT     C    95_A     C    95_A      4    6   16      3    4    4    6    6    6    8   10   12   12   13   14   15   17   19   22   22   24   25   27 
LCS_GDT     V    96_A     V    96_A      4    6   16      1    4    4    6    6    6    8   10   11   12   13   14   15   17   19   22   22   24   25   27 
LCS_GDT     P    97_A     P    97_A      4    6   16      3    4    4    6    6    6    8   10   11   12   13   14   15   17   18   22   22   24   25   27 
LCS_GDT     T    98_A     T    98_A      3    3   16      3    3    3    3    4    6    8   10   11   12   13   14   15   17   19   22   22   24   25   27 
LCS_GDT     P    99_A     P    99_A      3    4   16      3    3    3    4    5    6    8   10   11   12   13   14   15   17   19   22   22   24   25   27 
LCS_GDT     T   100_A     T   100_A      3    4   16      1    3    3    4    5    7    8   10   11   12   13   14   15   17   19   22   22   24   26   29 
LCS_GDT     S   101_A     S   101_A      5    6   16      4    4    5    5    5    7    8   10   11   12   13   14   15   17   19   22   24   25   30   37 
LCS_GDT     T   102_A     T   102_A      5    6   16      4    4    5    5    5    7    8   10   11   12   13   14   15   17   19   22   22   24   26   30 
LCS_GDT     V   103_A     V   103_A      5    6   16      4    4    5    5    5    7    8   10   11   12   13   14   15   17   19   22   22   24   26   30 
LCS_GDT     S   104_A     S   104_A      5    6   16      4    4    5    5    5    7    8   10   11   11   12   14   15   17   19   22   24   28   34   43 
LCS_GDT     S   105_A     S   105_A      5    6   16      1    4    5    5    5    7    8   10   11   11   11   14   15   17   19   23   28   34   41   47 
LCS_GDT     I   106_A     I   106_A      3    6   13      3    3    3    4    4    7    8    9   11   11   11   12   12   14   16   24   25   29   34   42 
LCS_GDT     G   107_A     G   107_A      3    4   30      3    3    3    5    5    6    8    8    9   11   11   12   12   15   23   30   32   37   48   51 
LCS_GDT     N   108_A     N   108_A      3    6   30      3    3    3    4    6    6    7    8    8    9   11   11   16   22   26   30   32   40   48   51 
LCS_GDT     T   109_A     T   109_A      3    6   30      3    3    3    4    6    7   11   18   21   26   30   34   36   38   39   42   44   46   49   51 
LCS_GDT     N   110_A     N   110_A      3    6   30      3    3    4    6    8   12   17   23   25   28   31   34   36   38   39   42   44   46   49   51 
LCS_GDT     G   111_A     G   111_A      4    6   30      3    3    4    5    6   10   11   18   24   28   31   31   35   38   39   42   44   46   49   50 
LCS_GDT     E   112_A     E   112_A      4    6   30      3    3    4    4    6    9   11   14   15   19   26   31   35   36   38   42   44   46   49   56 
LCS_GDT     E   113_A     E   113_A      4   19   30      3    4    5    5    8   12   17   23   25   28   31   34   36   38   39   42   44   46   49   51 
LCS_GDT     V   114_A     V   114_A     17   20   30      5   12   17   18   18   19   21   23   25   28   31   34   36   38   39   41   44   46   49   56 
LCS_GDT     G   115_A     G   115_A     17   20   30      5   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   49   60 
LCS_GDT     P   116_A     P   116_A     17   20   30      5   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   49   52 
LCS_GDT     S   117_A     S   117_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   49   54 
LCS_GDT     V   118_A     V   118_A     17   20   30      5   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   52   56   56   58 
LCS_GDT     Y   119_A     Y   119_A     17   20   30      6   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   57 
LCS_GDT     L   120_A     L   120_A     17   20   30      6   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     E   121_A     E   121_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     R   122_A     R   122_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     L   123_A     L   123_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     K   124_A     K   124_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     I   125_A     I   125_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     L   126_A     L   126_A     17   20   30      6   11   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     R   127_A     R   127_A     17   20   30      7   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     Q   128_A     Q   128_A     17   20   30      6   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     R   129_A     R   129_A     17   20   30      5   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     C   130_A     C   130_A     17   20   30      6   12   17   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     G   131_A     G   131_A     16   20   30      5    9   15   18   18   19   21   23   25   28   31   34   36   38   39   42   44   46   51   54 
LCS_GDT     L   132_A     L   132_A      3   20   30      3    4    4    7   15   18   21   23   25   28   31   34   36   38   39   42   44   46   49   51 
LCS_GDT     D   133_A     D   133_A      4   20   30      3    5    8   11   15   19   21   23   25   28   31   34   36   38   39   42   44   46   49   51 
LCS_GDT     N   134_A     N   134_A      4    4   30      3    4    5    5    5    9   17   22   25   28   31   34   36   38   39   42   44   46   49   51 
LCS_GDT     T   135_A     T   135_A      4    4   30      1    4    5    5   10   15   19   23   25   28   31   34   36   38   39   42   44   46   49   51 
LCS_GDT     K   136_A     K   136_A      4    5   30      3    4    5    5    5    5    7   15   22   28   31   34   36   38   39   41   44   46   49   51 
LCS_GDT     Q   137_A     Q   137_A      4    5   30      3    3    4    4    5    5    7    9   10   10   12   13   13   16   17   19   36   36   38   42 
LCS_GDT     D   138_A     D   138_A      4    5   29      3    3    4    4    5    5    7    9   10   10   12   13   13   13   14   15   18   21   22   31 
LCS_GDT     D   139_A     D   139_A      4    5   14      3    3    4    4    5    5    7    9   10   10   12   13   13   13   14   15   16   16   19   20 
LCS_GDT     R   140_A     R   140_A      4    5   14      3    3    4    4    5    5    7    9   10   10   12   13   13   13   14   15   16   16   18   20 
LCS_GDT     P   141_A     P   141_A      3    5   14      3    3    3    4    5    5    7    9   10   10   12   13   13   13   14   15   16   17   19   24 
LCS_AVERAGE  LCS_A:  15.48  (   7.28   10.37   28.79 )

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     11     16     17     18     21     27     29     36     40     44     46     50     53     55     56     58     59     61     64     67 
GDT PERCENT_AT   7.80  11.35  12.06  12.77  14.89  19.15  20.57  25.53  28.37  31.21  32.62  35.46  37.59  39.01  39.72  41.13  41.84  43.26  45.39  47.52
GDT RMS_LOCAL    0.28   0.47   0.93   1.02   1.56   2.20   2.34   2.79   3.00   3.24   3.34   3.78   4.18   4.19   4.43   5.07   5.26   5.37   6.88   6.49
GDT RMS_ALL_AT  22.76  22.55  25.37  25.16  22.42  23.34  23.33  23.60  23.58  23.56  23.65  23.28  22.86  23.10  22.81  22.12  22.00  22.00  23.25  21.45

# Checking swapping
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   121_A      E   121_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    39.939     0    0.234   0.313    41.179    0.000    0.000
LGA    S     2_A      S     2_A    37.571     0    0.070   0.715    38.111    0.000    0.000
LGA    R     3_A      R     3_A    35.009     0    0.618   1.142    41.377    0.000    0.000
LGA    I     4_A      I     4_A    31.197     0    0.595   1.065    33.985    0.000    0.000
LGA    D     5_A      D     5_A    25.378     0    0.688   0.615    27.886    0.000    0.000
LGA    E     6_A      E     6_A    20.719     0    0.634   0.997    22.679    0.000    0.000
LGA    K     7_A      K     7_A    19.882     0    0.616   0.955    29.212    0.000    0.000
LGA    S     8_A      S     8_A    14.027     0    0.629   0.835    16.240    0.000    0.000
LGA    S     9_A      S     9_A    10.260     0    0.637   0.730    11.863    3.690    2.460
LGA    K    10_A      K    10_A     6.447     0    0.548   1.216    13.119   16.190    9.048
LGA    A    11_A      A    11_A     5.383     0    0.055   0.071     5.621   29.048   28.476
LGA    K    12_A      K    12_A     3.392     0    0.070   0.849     5.228   45.119   43.704
LGA    V    13_A      V    13_A     4.756     0    0.050   0.197     6.448   35.714   28.367
LGA    N    14_A      N    14_A     4.525     0    0.037   1.326     7.868   39.048   30.298
LGA    D    15_A      D    15_A     3.081     0    0.029   0.928     6.189   53.571   41.131
LGA    F    16_A      F    16_A     3.493     0    0.017   0.137     7.876   48.452   29.091
LGA    L    17_A      L    17_A     4.089     0    0.016   0.927     7.237   43.452   31.667
LGA    A    18_A      A    18_A     3.359     0    0.037   0.040     4.187   50.000   47.429
LGA    E    19_A      E    19_A     3.886     0    0.032   0.599     6.691   43.452   31.005
LGA    I    20_A      I    20_A     4.872     0    0.023   1.284     6.824   35.833   27.679
LGA    F    21_A      F    21_A     3.813     0    0.039   1.480     9.870   46.667   24.286
LGA    K    22_A      K    22_A     3.188     0    0.100   1.100    10.491   48.452   30.370
LGA    K    23_A      K    23_A     6.693     0    0.066   0.663    12.965   15.476    7.725
LGA    I    24_A      I    24_A     8.234     0    0.061   0.656    11.465    5.833    3.452
LGA    G    25_A      G    25_A     7.007     0    0.238   0.238     7.007   13.452   13.452
LGA    S    26_A      S    26_A     4.888     0    0.045   0.841     5.247   36.071   33.651
LGA    K    27_A      K    27_A     3.216     0    0.051   0.876     4.008   53.810   49.577
LGA    E    28_A      E    28_A     3.554     0    0.056   0.931     5.606   51.905   40.899
LGA    N    29_A      N    29_A     2.229     0    0.287   0.394     3.919   64.881   60.238
LGA    T    30_A      T    30_A     3.198     0    0.044   1.322     6.744   55.357   45.918
LGA    K    31_A      K    31_A     2.434     0    0.034   1.066     3.848   66.786   56.772
LGA    E    32_A      E    32_A     0.435     0    0.036   1.175     3.066   97.619   81.534
LGA    G    33_A      G    33_A     1.343     0    0.046   0.046     1.411   83.690   83.690
LGA    L    34_A      L    34_A     2.069     0    0.035   0.928     5.423   70.833   60.179
LGA    A    35_A      A    35_A     1.403     0    0.038   0.042     1.420   81.429   81.429
LGA    E    36_A      E    36_A     0.267     0    0.039   0.756     3.482   97.619   83.915
LGA    L    37_A      L    37_A     1.112     0    0.026   0.190     2.304   83.690   75.238
LGA    Y    38_A      Y    38_A     1.691     0    0.098   0.805    10.675   79.286   38.095
LGA    E    39_A      E    39_A     1.079     0    0.044   0.752     3.697   83.690   72.275
LGA    Y    40_A      Y    40_A     0.525     0    0.066   0.421     1.465   92.857   89.841
LGA    K    41_A      K    41_A     1.421     0    0.099   0.977     7.227   77.143   49.894
LGA    K    42_A      K    42_A     2.316     0    0.043   0.681     5.486   64.881   51.693
LGA    K    43_A      K    43_A     2.166     0    0.051   1.250     8.066   68.810   47.354
LGA    Y    44_A      Y    44_A     0.898     0    0.577   0.846     6.568   85.952   55.913
LGA    S    45_A      S    45_A     4.613     0    0.475   0.467     5.614   37.500   32.143
LGA    D    46_A      D    46_A     5.250     0    0.387   0.420     6.669   27.500   24.048
LGA    A    47_A      A    47_A     4.751     0    0.098   0.120     5.109   32.976   31.619
LGA    D    48_A      D    48_A     3.641     0    0.018   1.078     6.840   43.452   35.357
LGA    I    49_A      I    49_A     4.004     0    0.033   1.286     6.835   41.786   38.036
LGA    E    50_A      E    50_A     4.270     0    0.053   0.889     6.666   40.238   30.529
LGA    P    51_A      P    51_A     3.208     0    0.058   0.227     3.557   50.000   50.068
LGA    F    52_A      F    52_A     3.317     0    0.089   1.498    10.035   50.000   28.701
LGA    L    53_A      L    53_A     3.852     0    0.043   0.420     6.409   46.667   37.976
LGA    K    54_A      K    54_A     1.411     0    0.084   0.653     2.490   70.952   74.021
LGA    N    55_A      N    55_A     2.388     0    0.082   0.152     4.671   53.095   65.238
LGA    S    56_A      S    56_A     5.630     0    0.534   0.722     8.018   24.286   19.841
LGA    S    57_A      S    57_A     7.002     0    0.594   0.969     9.756   26.190   18.016
LGA    Q    58_A      Q    58_A     3.622     0    0.070   1.017     7.185   35.833   26.667
LGA    F    59_A      F    59_A     7.747     0    0.048   1.440    15.813   13.690    5.022
LGA    F    60_A      F    60_A     3.804     0    0.132   1.418     6.738   55.952   33.896
LGA    Q    61_A      Q    61_A     2.933     0    0.071   1.403     8.484   46.786   31.640
LGA    S    62_A      S    62_A     8.195     0    0.056   0.055     9.930    7.857    5.397
LGA    Y    63_A      Y    63_A     6.848     0    0.038   1.600    13.132   12.738    7.579
LGA    V    64_A      V    64_A     6.053     0    0.020   1.130     9.968   11.667   13.605
LGA    E    65_A      E    65_A    12.070     0    0.032   1.054    16.301    0.119    0.053
LGA    R    66_A      R    66_A    14.005     0    0.044   1.104    18.093    0.000    0.000
LGA    G    67_A      G    67_A    10.874     0    0.039   0.039    12.996    0.000    0.000
LGA    L    68_A      L    68_A    14.678     0    0.045   1.444    18.129    0.000    0.000
LGA    R    69_A      R    69_A    19.821     0    0.064   1.610    23.616    0.000    0.000
LGA    V    70_A      V    70_A    18.401     0    0.090   1.052    18.959    0.000    0.000
LGA    I    71_A      I    71_A    16.657     0    0.030   0.678    19.383    0.000    0.000
LGA    E    72_A      E    72_A    21.646     0    0.039   1.163    24.317    0.000    0.000
LGA    M    73_A      M    73_A    23.935     0    0.053   1.198    24.811    0.000    0.000
LGA    E    74_A      E    74_A    21.897     0    0.424   0.760    22.066    0.000    0.000
LGA    R    75_A      R    75_A    22.322     0    0.581   1.654    25.221    0.000    0.000
LGA    E    76_A      E    76_A    23.878     0    0.615   0.632    25.844    0.000    0.000
LGA    G    77_A      G    77_A    25.684     0    0.573   0.573    27.573    0.000    0.000
LGA    K    78_A      K    78_A    30.145     0    0.410   1.021    33.940    0.000    0.000
LGA    G    79_A      G    79_A    31.354     0    0.654   0.654    31.354    0.000    0.000
LGA    R    80_A      R    80_A    30.262     0    0.584   1.559    30.535    0.000    0.000
LGA    I    81_A      I    81_A    31.441     0    0.592   0.620    35.660    0.000    0.000
LGA    S    82_A      S    82_A    31.676     0    0.154   0.585    32.569    0.000    0.000
LGA    T    83_A      T    83_A    29.032     0    0.608   1.291    30.041    0.000    0.000
LGA    S    84_A      S    84_A    27.797     0    0.027   0.644    27.797    0.000    0.000
LGA    T    85_A      T    85_A    26.002     0    0.572   0.875    27.893    0.000    0.000
LGA    G    86_A      G    86_A    21.520     0    0.129   0.129    22.979    0.000    0.000
LGA    I    87_A      I    87_A    20.928     0    0.044   1.066    25.077    0.000    0.000
LGA    S    88_A      S    88_A    17.066     0    0.111   0.160    19.185    0.000    0.000
LGA    P    89_A      P    89_A    15.496     0    0.094   0.212    19.132    0.000    0.000
LGA    Q    90_A      Q    90_A    21.564     0    0.049   1.179    27.499    0.000    0.000
LGA    M    91_A      M    91_A    23.152     0    0.551   0.875    25.407    0.000    0.000
LGA    E    92_A      E    92_A    27.061     0    0.268   0.950    29.237    0.000    0.000
LGA    V    93_A      V    93_A    31.723     0    0.066   1.100    34.114    0.000    0.000
LGA    T    94_A      T    94_A    36.781     0    0.129   0.129    38.644    0.000    0.000
LGA    C    95_A      C    95_A    42.978     0    0.504   0.494    45.365    0.000    0.000
LGA    V    96_A      V    96_A    42.327     0    0.636   1.057    45.726    0.000    0.000
LGA    P    97_A      P    97_A    36.138     0    0.669   0.655    38.068    0.000    0.000
LGA    T    98_A      T    98_A    35.091     0    0.645   1.178    37.875    0.000    0.000
LGA    P    99_A      P    99_A    35.455     0    0.670   0.774    38.990    0.000    0.000
LGA    T   100_A      T   100_A    34.458     0    0.480   1.259    34.790    0.000    0.000
LGA    S   101_A      S   101_A    30.896     0    0.611   0.838    32.440    0.000    0.000
LGA    T   102_A      T   102_A    27.335     0    0.035   1.213    28.754    0.000    0.000
LGA    V   103_A      V   103_A    22.749     0    0.037   1.006    24.606    0.000    0.000
LGA    S   104_A      S   104_A    24.787     0    0.639   0.751    27.445    0.000    0.000
LGA    S   105_A      S   105_A    25.302     0    0.315   0.371    25.978    0.000    0.000
LGA    I   106_A      I   106_A    23.810     0    0.585   1.404    25.423    0.000    0.000
LGA    G   107_A      G   107_A    25.561     0    0.455   0.455    28.452    0.000    0.000
LGA    N   108_A      N   108_A    29.889     0    0.583   1.208    35.257    0.000    0.000
LGA    T   109_A      T   109_A    29.571     0    0.173   0.209    32.089    0.000    0.000
LGA    N   110_A      N   110_A    29.398     0    0.305   0.798    29.877    0.000    0.000
LGA    G   111_A      G   111_A    28.924     0    0.702   0.702    28.924    0.000    0.000
LGA    E   112_A      E   112_A    23.211     0    0.431   0.676    25.328    0.000    0.000
LGA    E   113_A      E   113_A    24.276     0    0.293   0.979    30.053    0.000    0.000
LGA    V   114_A      V   114_A    21.816     0    0.639   0.516    23.870    0.000    0.000
LGA    G   115_A      G   115_A    18.128     0    0.075   0.075    19.688    0.000    0.000
LGA    P   116_A      P   116_A    22.265     0    0.080   0.161    25.213    0.000    0.000
LGA    S   117_A      S   117_A    22.596     0    0.096   0.678    22.696    0.000    0.000
LGA    V   118_A      V   118_A    16.846     0    0.083   1.302    18.417    0.000    0.000
LGA    Y   119_A      Y   119_A    17.342     0    0.058   1.181    19.530    0.000    0.000
LGA    L   120_A      L   120_A    24.015     0    0.017   0.963    28.788    0.000    0.000
LGA    E   121_A      E   121_A    23.649     0    0.062   1.176    24.389    0.000    0.000
LGA    R   122_A      R   122_A    19.200     0    0.040   1.176    20.908    0.000    0.000
LGA    L   123_A      L   123_A    21.353     0    0.011   1.057    24.392    0.000    0.000
LGA    K   124_A      K   124_A    27.640     0    0.030   1.066    35.415    0.000    0.000
LGA    I   125_A      I   125_A    27.204     0    0.081   0.158    28.138    0.000    0.000
LGA    L   126_A      L   126_A    24.156     0    0.078   0.146    26.879    0.000    0.000
LGA    R   127_A      R   127_A    28.446     0    0.047   1.030    34.488    0.000    0.000
LGA    Q   128_A      Q   128_A    33.942     0    0.066   1.008    38.826    0.000    0.000
LGA    R   129_A      R   129_A    32.404     0    0.022   1.319    37.028    0.000    0.000
LGA    C   130_A      C   130_A    30.700     0    0.086   0.782    33.868    0.000    0.000
LGA    G   131_A      G   131_A    37.085     0    0.465   0.465    39.670    0.000    0.000
LGA    L   132_A      L   132_A    40.437     0    0.619   1.064    41.855    0.000    0.000
LGA    D   133_A      D   133_A    39.620     0    0.087   0.959    41.264    0.000    0.000
LGA    N   134_A      N   134_A    41.415     0    0.185   0.611    42.838    0.000    0.000
LGA    T   135_A      T   135_A    46.235     0    0.596   1.346    48.110    0.000    0.000
LGA    K   136_A      K   136_A    48.159     0    0.598   0.701    48.159    0.000    0.000
LGA    Q   137_A      Q   137_A    48.510     0    0.639   1.248    49.943    0.000    0.000
LGA    D   138_A      D   138_A    52.425     0    0.624   1.249    54.557    0.000    0.000
LGA    D   139_A      D   139_A    57.278     0    0.575   1.179    61.167    0.000    0.000
LGA    R   140_A      R   140_A    54.635     0    0.510   1.660    60.539    0.000    0.000
LGA    P   141_A      P   141_A    50.863     0    0.646   0.627    53.591    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):    17.390         17.317                 17.958           19.142   15.583

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     36    2.79    22.695    20.126     1.244

LGA_LOCAL      RMSD:   2.795  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.599  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  17.390  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.734408 * X  +   0.392458 * Y  +  -0.553735 * Z  +  34.314735
  Y_new =   0.478765 * X  +  -0.278728 * Y  +  -0.832524 * Z  + 113.993179
  Z_new =  -0.481072 * X  +  -0.876520 * Y  +   0.016805 * Z  + -15.892463 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.563879  0.501877 -1.551627   [DEG:  146.8994   28.7554  -88.9017 ]
ZXZ: -0.586937  1.553991 -2.639639   [DEG:  -33.6290   89.0371 -151.2402 ]
 
# END of job
