
#######################################################
#                                                     #
#                        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:    84       1_A - 84_A        4.43    38.31
  LONGEST_CONTINUOUS_SEGMENT:    84       2_A - 85_A        4.88    38.13
  LCS_AVERAGE:     43.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      10_A - 80_A        1.96    38.88
  LCS_AVERAGE:     31.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_A - 43_A        0.98    38.19
  LCS_AVERAGE:     12.88

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      5    6   84      5    5    5    5    5    7   11   14   34   41   48   50   65   67   71   75   78   81   82   82 
LCS_GDT     S     2_A     S     2_A      5   37   84      5    5    5    5    7   13   17   41   47   52   68   73   75   77   80   81   81   81   82   82 
LCS_GDT     R     3_A     R     3_A      5   43   84      5    5    5    5    5    7   48   59   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     I     4_A     I     4_A     15   44   84      5    5    5   13   18   24   40   57   68   72   73   77   79   79   80   81   81   81   82   82 
LCS_GDT     D     5_A     D     5_A     17   46   84      5   11   16   19   33   44   53   64   71   73   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E     6_A     E     6_A     18   47   84      6   13   27   37   48   55   65   68   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K     7_A     K     7_A     18   48   84      6   13   29   38   48   59   65   68   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S     8_A     S     8_A     18   48   84      6   13   29   37   48   60   65   68   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S     9_A     S     9_A     31   70   84      6   13   29   38   55   62   65   68   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    10_A     K    10_A     34   71   84      8   24   35   50   60   63   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     A    11_A     A    11_A     34   71   84      8   24   35   50   60   63   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    12_A     K    12_A     34   71   84      6   21   35   50   60   63   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     V    13_A     V    13_A     34   71   84      6   23   45   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     N    14_A     N    14_A     34   71   84     14   30   47   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     D    15_A     D    15_A     34   71   84      8   25   45   57   60   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     F    16_A     F    16_A     34   71   84      7   22   45   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     L    17_A     L    17_A     34   71   84     14   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     A    18_A     A    18_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    19_A     E    19_A     34   71   84     15   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     I    20_A     I    20_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     F    21_A     F    21_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    22_A     K    22_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    23_A     K    23_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     I    24_A     I    24_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     G    25_A     G    25_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S    26_A     S    26_A     34   71   84     11   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    27_A     K    27_A     34   71   84      5   22   40   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    28_A     E    28_A     34   71   84     10   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     N    29_A     N    29_A     34   71   84     12   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     T    30_A     T    30_A     34   71   84     19   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    31_A     K    31_A     34   71   84     13   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    32_A     E    32_A     34   71   84     13   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     G    33_A     G    33_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     L    34_A     L    34_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     A    35_A     A    35_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    36_A     E    36_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     L    37_A     L    37_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     Y    38_A     Y    38_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    39_A     E    39_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     Y    40_A     Y    40_A     34   71   84     16   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    41_A     K    41_A     34   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    42_A     K    42_A     34   71   84     16   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    43_A     K    43_A     34   71   84     16   31   49   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     Y    44_A     Y    44_A     33   71   84      7   26   44   55   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S    45_A     S    45_A     33   71   84      6   26   44   55   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     D    46_A     D    46_A      4   71   84      3    4    4    8    8   20   41   54   67   72   74   78   79   79   80   81   81   81   82   82 
LCS_GDT     A    47_A     A    47_A      4   71   84      3    4   26   40   48   61   66   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     D    48_A     D    48_A     24   71   84     11   29   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     I    49_A     I    49_A     24   71   84     11   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    50_A     E    50_A     24   71   84     11   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     P    51_A     P    51_A     24   71   84     12   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     F    52_A     F    52_A     24   71   84     12   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     L    53_A     L    53_A     24   71   84     12   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    54_A     K    54_A     24   71   84     12   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     N    55_A     N    55_A     24   71   84      3   24   45   54   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S    56_A     S    56_A     24   71   84      4   22   39   54   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S    57_A     S    57_A     24   71   84      4   18   37   52   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     Q    58_A     Q    58_A     24   71   84      4   12   33   52   59   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     F    59_A     F    59_A     24   71   84      4   15   35   52   60   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     F    60_A     F    60_A     24   71   84      4   23   49   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     Q    61_A     Q    61_A     24   71   84     12   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S    62_A     S    62_A     24   71   84     11   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     Y    63_A     Y    63_A     24   71   84     11   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     V    64_A     V    64_A     24   71   84     12   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    65_A     E    65_A     24   71   84     11   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     R    66_A     R    66_A     24   71   84      9   31   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     G    67_A     G    67_A     24   71   84     10   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     L    68_A     L    68_A     24   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     R    69_A     R    69_A     24   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     V    70_A     V    70_A     24   71   84     19   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     I    71_A     I    71_A     24   71   84     12   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    72_A     E    72_A     24   71   84     10   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     M    73_A     M    73_A     20   71   84     11   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    74_A     E    74_A     20   71   84     12   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     R    75_A     R    75_A     20   71   84     11   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     E    76_A     E    76_A     20   71   84     11   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     G    77_A     G    77_A     20   71   84      8   32   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     K    78_A     K    78_A     19   71   84      3   22   35   56   60   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     G    79_A     G    79_A      4   71   84      3    4    5    6    8   10   40   61   66   70   74   78   79   79   80   81   81   81   82   82 
LCS_GDT     R    80_A     R    80_A      4   71   84     19   30   50   57   61   65   67   69   71   74   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     I    81_A     I    81_A      4   65   84      3    4    5    6   30   43   56   67   71   72   75   78   79   79   80   81   81   81   82   82 
LCS_GDT     S    82_A     S    82_A      3    7   84      3    3    4    4    6    9   12   29   37   44   53   67   74   76   78   81   81   81   82   82 
LCS_GDT     T    83_A     T    83_A      3    7   84      3    3    5    6    7    9   12   14   16   17   18   18   19   20   20   29   53   69   76   78 
LCS_GDT     S    84_A     S    84_A      4    7   84      3    4    5    6    7    8   10   13   16   17   18   18   19   20   20   22   23   27   29   31 
LCS_GDT     T    85_A     T    85_A      4    6   84      1    4    4    5    7    9   12   14   16   17   18   18   19   20   20   22   23   24   29   31 
LCS_GDT     G    86_A     G    86_A      4    6   21      0    4    4    5    6    9   12   14   16   17   18   18   19   20   20   20   21   22   26   31 
LCS_GDT     I    87_A     I    87_A      4    5   21      3    4    4    5    7    9   12   14   16   17   18   18   19   20   20   22   23   24   29   31 
LCS_GDT     S    88_A     S    88_A      3    5   21      3    3    3    5    7    9   12   14   16   17   18   18   19   20   20   22   23   24   25   27 
LCS_GDT     P    89_A     P    89_A      3    4   21      3    3    3    6    7    8   12   14   16   17   18   18   19   20   20   22   23   24   25   26 
LCS_GDT     Q    90_A     Q    90_A      3    4   21      3    3    3    4    6    9   12   14   16   17   18   18   19   20   20   22   23   24   25   26 
LCS_GDT     M    91_A     M    91_A      3    6   21      3    3    3    4    5    6    6    7    8    9   10   12   19   20   20   22   23   24   25   26 
LCS_GDT     E    92_A     E    92_A      5    6   21      3    5    5    5    5    6    6    7    8   12   17   18   19   20   20   22   23   24   25   26 
LCS_GDT     V    93_A     V    93_A      5    6   21      3    5    5    5    5    6    7   10   10   11   12   13   16   18   19   22   23   24   25   26 
LCS_GDT     T    94_A     T    94_A      5    6   13      3    5    5    5    5    8    9   10   11   12   12   13   17   18   19   22   23   24   25   26 
LCS_GDT     C    95_A     C    95_A      5    8   16      3    5    6    7    8    8    9   10   11   12   12   14   17   18   19   22   23   24   25   26 
LCS_GDT     V    96_A     V    96_A      5    8   16      3    5    6    7    8    8    9   10   10   11   12   14   17   18   19   22   23   24   25   26 
LCS_GDT     P    97_A     P    97_A      4    8   16      3    4    6    7    8    8    9   10   10   12   14   15   17   18   19   21   21   22   25   26 
LCS_GDT     T    98_A     T    98_A      4    8   16      3    4    6    7    8    8    9   10   10   12   14   15   17   18   19   21   22   24   25   26 
LCS_GDT     P    99_A     P    99_A      4    8   16      3    4    4    7    8    8    9   10   10   12   14   15   17   18   19   21   21   22   23   23 
LCS_GDT     T   100_A     T   100_A      4    8   16      3    4    5    6    8    8    8   10   11   12   14   15   17   18   19   21   21   22   25   25 
LCS_GDT     S   101_A     S   101_A      4    8   16      3    4    6    7    8    8    8   10   11   12   14   15   17   18   19   21   21   22   23   23 
LCS_GDT     T   102_A     T   102_A      3    8   16      3    4    6    7    8    8    9   10   11   12   13   15   17   18   19   21   21   23   25   25 
LCS_GDT     V   103_A     V   103_A      6    8   16      3    5    6    7    8    8    9   10   11   12   14   15   17   18   19   21   21   22   23   23 
LCS_GDT     S   104_A     S   104_A      6    8   16      3    5    6    7    8    8    9   10   11   12   14   15   17   18   19   21   21   22   23   23 
LCS_GDT     S   105_A     S   105_A      6    8   16      3    5    6    7    8    8    9   10   11   12   14   15   17   18   19   21   22   25   28   29 
LCS_GDT     I   106_A     I   106_A      6    8   26      3    5    6    7    8    8    9   10   11   12   14   15   17   18   19   21   23   25   28   29 
LCS_GDT     G   107_A     G   107_A      6    8   27      3    5    6    7    8    8    9   10   11   12   14   19   23   24   26   27   30   31   32   33 
LCS_GDT     N   108_A     N   108_A      6    8   27      3    5    6    7    8    8    9   10   11   12   18   22   23   25   26   27   30   31   32   33 
LCS_GDT     T   109_A     T   109_A      6    8   27      3    3    6    7    8    8   16   19   21   22   22   23   23   25   26   27   28   31   32   33 
LCS_GDT     N   110_A     N   110_A      4    8   27      3    3    4    7    8   14   15   18   21   22   22   23   23   25   26   27   27   29   29   33 
LCS_GDT     G   111_A     G   111_A      4    6   29      3    3    4    5    6    8    9   10   10   12   20   21   22   23   24   25   26   27   27   31 
LCS_GDT     E   112_A     E   112_A      4    6   30      3    3    4    5    6    8    9   10   14   22   22   23   25   29   30   30   30   31   32   33 
LCS_GDT     E   113_A     E   113_A      4    6   30      3    3    5    7   11   14   16   19   21   25   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     V   114_A     V   114_A      4   18   30      1    3    4    5    5    8   16   19   24   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     G   115_A     G   115_A     17   22   30      5   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     P   116_A     P   116_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     S   117_A     S   117_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     V   118_A     V   118_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     Y   119_A     Y   119_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     L   120_A     L   120_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     E   121_A     E   121_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     R   122_A     R   122_A     17   22   30      8   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     L   123_A     L   123_A     17   22   30      8   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     K   124_A     K   124_A     17   22   30      8   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     I   125_A     I   125_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     L   126_A     L   126_A     17   22   30      8   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     R   127_A     R   127_A     17   22   30      8   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     Q   128_A     Q   128_A     17   22   30      7   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     R   129_A     R   129_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     C   130_A     C   130_A     17   22   30      9   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     G   131_A     G   131_A     17   22   30      6   16   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     L   132_A     L   132_A      3   22   30      3    3    3   10   17   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     D   133_A     D   133_A      3   22   30      3    3   15   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     N   134_A     N   134_A      3   22   30      3    4    9   16   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     T   135_A     T   135_A      3   22   30      3    3    4    7   17   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     K   136_A     K   136_A      3   22   30      0    3    3    3    5   14   21   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     Q   137_A     Q   137_A      4    4   30      4    4    4    4    4    4    6   19   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     D   138_A     D   138_A      4    4   30      4    4    4    4    5    6    7    7   12   17   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     D   139_A     D   139_A      4    4   30      4    4    4    4    4    4    6    6   12   14   18   25   29   29   30   30   30   31   32   33 
LCS_GDT     R   140_A     R   140_A      4    4   30      4    4    4    4    5    6    9   19   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_GDT     P   141_A     P   141_A      3    3   30      3   11   17   19   20   21   22   23   25   26   26   28   29   29   30   30   30   31   32   33 
LCS_AVERAGE  LCS_A:  29.10  (  12.88   31.37   43.06 )

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     19     32     50     57     61     65     67     69     71     74     75     78     79     79     80     81     81     81     82     82 
GDT PERCENT_AT  13.48  22.70  35.46  40.43  43.26  46.10  47.52  48.94  50.35  52.48  53.19  55.32  56.03  56.03  56.74  57.45  57.45  57.45  58.16  58.16
GDT RMS_LOCAL    0.38   0.74   0.97   1.15   1.32   1.46   1.60   1.73   1.94   2.29   2.40   2.66   2.76   2.76   2.97   3.18   3.18   3.18   3.47   3.47
GDT RMS_ALL_AT  38.38  38.80  38.86  38.87  38.88  38.95  38.93  38.89  38.83  38.70  38.61  38.57  38.50  38.50  38.50  38.41  38.41  38.41  38.47  38.47

# Checking swapping
#   possible swapping detected:  E     6_A      E     6_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:  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:  F    59_A      F    59_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    76_A      E    76_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:  E   121_A      E   121_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    16.342     0    0.538   0.570    17.882    0.000    0.000
LGA    S     2_A      S     2_A    13.171     0    0.028   0.717    14.345    0.000    0.000
LGA    R     3_A      R     3_A     8.977     0    0.048   1.082    16.140    3.690    1.732
LGA    I     4_A      I     4_A    10.275     0    0.007   0.058    15.269    0.595    0.298
LGA    D     5_A      D     5_A     9.529     0    0.126   0.975    10.008    3.095    2.143
LGA    E     6_A      E     6_A     7.414     0    0.080   0.836     8.386   11.310   13.439
LGA    K     7_A      K     7_A     6.862     0    0.012   0.038     9.735   15.476    9.312
LGA    S     8_A      S     8_A     6.323     0    0.048   0.640     6.986   20.833   18.968
LGA    S     9_A      S     9_A     5.318     0    0.017   0.753     6.195   32.024   27.778
LGA    K    10_A      K    10_A     3.727     0    0.114   0.976     8.756   43.452   28.571
LGA    A    11_A      A    11_A     3.824     0    0.025   0.029     4.216   45.000   43.429
LGA    K    12_A      K    12_A     3.531     0    0.047   0.066     6.397   50.238   37.831
LGA    V    13_A      V    13_A     1.730     0    0.029   0.793     2.462   77.381   75.510
LGA    N    14_A      N    14_A     1.695     0    0.025   1.106     4.462   75.000   64.524
LGA    D    15_A      D    15_A     1.976     0    0.025   0.973     3.431   72.857   64.167
LGA    F    16_A      F    16_A     1.683     0    0.018   1.179     4.526   77.143   63.160
LGA    L    17_A      L    17_A     0.791     0    0.018   0.079     1.194   90.476   89.345
LGA    A    18_A      A    18_A     1.009     0    0.037   0.037     1.195   88.214   86.857
LGA    E    19_A      E    19_A     0.763     0    0.010   0.845     3.016   90.476   80.317
LGA    I    20_A      I    20_A     0.742     0    0.015   0.037     0.863   90.476   90.476
LGA    F    21_A      F    21_A     0.979     0    0.014   0.713     2.371   85.952   81.688
LGA    K    22_A      K    22_A     1.186     0    0.014   0.920     5.317   81.429   62.169
LGA    K    23_A      K    23_A     1.001     0    0.021   0.584     1.694   83.690   83.492
LGA    I    24_A      I    24_A     0.809     0    0.015   0.046     0.909   90.476   90.476
LGA    G    25_A      G    25_A     0.829     0    0.206   0.206     1.942   83.810   83.810
LGA    S    26_A      S    26_A     1.464     0    0.093   0.148     2.183   79.286   75.794
LGA    K    27_A      K    27_A     2.271     0    0.057   0.990     6.449   64.762   47.196
LGA    E    28_A      E    28_A     1.560     0    0.162   0.160     1.778   77.143   77.619
LGA    N    29_A      N    29_A     0.721     0    0.039   1.104     2.961   90.476   86.369
LGA    T    30_A      T    30_A     1.277     0    0.010   0.738     3.422   81.429   73.333
LGA    K    31_A      K    31_A     1.660     0    0.013   0.626     3.673   77.143   68.783
LGA    E    32_A      E    32_A     1.078     0    0.029   0.259     1.900   85.952   85.503
LGA    G    33_A      G    33_A     0.825     0    0.061   0.061     0.879   90.476   90.476
LGA    L    34_A      L    34_A     0.869     0    0.011   0.070     1.119   90.476   85.952
LGA    A    35_A      A    35_A     0.725     0    0.006   0.010     0.785   90.476   90.476
LGA    E    36_A      E    36_A     0.764     0    0.012   0.865     2.828   90.476   78.201
LGA    L    37_A      L    37_A     0.417     0    0.012   0.079     0.535   97.619   97.619
LGA    Y    38_A      Y    38_A     0.473     0    0.040   0.227     0.985   95.238   92.857
LGA    E    39_A      E    39_A     0.841     0    0.010   0.855     3.197   90.476   74.868
LGA    Y    40_A      Y    40_A     0.745     0    0.065   0.162     1.076   90.476   89.722
LGA    K    41_A      K    41_A     0.790     0    0.056   0.784     1.959   88.214   82.593
LGA    K    42_A      K    42_A     1.116     0    0.046   0.831     3.730   79.286   70.952
LGA    K    43_A      K    43_A     1.445     0    0.082   0.616     2.414   75.119   73.016
LGA    Y    44_A      Y    44_A     2.385     0    0.178   0.187     3.283   64.881   57.341
LGA    S    45_A      S    45_A     2.571     0    0.333   0.596     3.278   57.262   59.762
LGA    D    46_A      D    46_A     5.893     0    0.565   1.214    10.782   31.786   16.548
LGA    A    47_A      A    47_A     4.208     0    0.530   0.569     5.233   49.048   44.476
LGA    D    48_A      D    48_A     1.986     0    0.588   1.120     7.826   77.143   47.202
LGA    I    49_A      I    49_A     0.995     0    0.122   0.158     1.399   83.690   87.083
LGA    E    50_A      E    50_A     1.358     0    0.030   1.012     2.968   77.143   71.217
LGA    P    51_A      P    51_A     1.794     0    0.094   0.103     1.907   72.857   72.857
LGA    F    52_A      F    52_A     1.372     0    0.070   1.522     6.009   79.286   63.853
LGA    L    53_A      L    53_A     1.058     0    0.061   0.464     2.056   81.429   81.607
LGA    K    54_A      K    54_A     1.021     0    0.062   0.134     1.994   79.286   77.619
LGA    N    55_A      N    55_A     2.858     0    0.255   0.241     3.731   57.262   51.964
LGA    S    56_A      S    56_A     2.854     0    0.086   0.651     2.972   57.143   62.460
LGA    S    57_A      S    57_A     3.237     0    0.022   0.725     5.272   51.786   47.222
LGA    Q    58_A      Q    58_A     3.454     0    0.088   1.560     9.031   50.000   32.487
LGA    F    59_A      F    59_A     3.183     0    0.042   1.207     3.803   53.571   57.792
LGA    F    60_A      F    60_A     1.569     0    0.139   0.217     2.073   75.119   79.221
LGA    Q    61_A      Q    61_A     1.084     0    0.052   0.952     4.626   81.429   67.460
LGA    S    62_A      S    62_A     1.318     0    0.036   0.036     1.621   81.429   80.000
LGA    Y    63_A      Y    63_A     0.936     0    0.053   0.102     1.586   88.214   83.770
LGA    V    64_A      V    64_A     0.498     0    0.024   1.031     2.399   92.857   85.646
LGA    E    65_A      E    65_A     0.839     0    0.005   0.141     1.876   90.476   83.545
LGA    R    66_A      R    66_A     1.044     0    0.032   1.133     2.570   88.214   83.463
LGA    G    67_A      G    67_A     0.814     0    0.105   0.105     0.814   90.476   90.476
LGA    L    68_A      L    68_A     0.434     0    0.016   0.066     0.837   97.619   97.619
LGA    R    69_A      R    69_A     0.501     0    0.018   1.446     8.354   95.238   59.913
LGA    V    70_A      V    70_A     0.338     0    0.051   1.100     2.921   95.238   85.918
LGA    I    71_A      I    71_A     1.081     0    0.019   0.653     2.720   81.548   80.714
LGA    E    72_A      E    72_A     1.561     0    0.034   0.751     2.066   77.143   77.778
LGA    M    73_A      M    73_A     0.980     0    0.018   0.868     3.462   83.690   75.833
LGA    E    74_A      E    74_A     1.166     0    0.030   0.127     1.422   81.429   81.429
LGA    R    75_A      R    75_A     1.582     0    0.027   0.988     3.657   75.000   66.840
LGA    E    76_A      E    76_A     1.358     0    0.195   0.821     4.369   77.262   65.979
LGA    G    77_A      G    77_A     1.045     0    0.081   0.081     1.264   83.690   83.690
LGA    K    78_A      K    78_A     2.538     0    0.538   0.795     6.160   46.071   64.921
LGA    G    79_A      G    79_A     5.775     0    0.056   0.056     5.818   29.405   29.405
LGA    R    80_A      R    80_A     1.077     0    0.119   1.208     9.294   59.881   34.589
LGA    I    81_A      I    81_A     7.426     0    0.591   0.947    10.589   11.786    6.607
LGA    S    82_A      S    82_A    12.510     0    0.284   0.343    14.791    0.000    0.000
LGA    T    83_A      T    83_A    15.783     0    0.568   0.477    19.192    0.000    0.000
LGA    S    84_A      S    84_A    22.931     0    0.379   0.664    24.906    0.000    0.000
LGA    T    85_A      T    85_A    24.800     0    0.550   1.391    26.547    0.000    0.000
LGA    G    86_A      G    86_A    27.930     0    0.401   0.401    31.356    0.000    0.000
LGA    I    87_A      I    87_A    28.880     0    0.638   1.343    30.391    0.000    0.000
LGA    S    88_A      S    88_A    31.598     0    0.623   0.620    34.526    0.000    0.000
LGA    P    89_A      P    89_A    34.498     0    0.655   0.586    37.040    0.000    0.000
LGA    Q    90_A      Q    90_A    35.942     0    0.651   1.277    36.504    0.000    0.000
LGA    M    91_A      M    91_A    36.965     0    0.161   0.153    39.025    0.000    0.000
LGA    E    92_A      E    92_A    43.496     0    0.590   1.173    47.101    0.000    0.000
LGA    V    93_A      V    93_A    46.588     0    0.016   0.202    50.117    0.000    0.000
LGA    T    94_A      T    94_A    51.367     0    0.096   1.164    52.910    0.000    0.000
LGA    C    95_A      C    95_A    56.794     0    0.606   0.875    61.605    0.000    0.000
LGA    V    96_A      V    96_A    56.314     0    0.099   1.138    58.333    0.000    0.000
LGA    P    97_A      P    97_A    56.726     0    0.345   0.481    59.002    0.000    0.000
LGA    T    98_A      T    98_A    57.155     0    0.638   1.322    58.271    0.000    0.000
LGA    P    99_A      P    99_A    58.292     0    0.049   0.058    60.745    0.000    0.000
LGA    T   100_A      T   100_A    60.203     0    0.643   0.627    61.162    0.000    0.000
LGA    S   101_A      S   101_A    61.469     0    0.515   0.652    61.523    0.000    0.000
LGA    T   102_A      T   102_A    60.911     0    0.590   0.904    62.058    0.000    0.000
LGA    V   103_A      V   103_A    64.380     0    0.598   0.588    66.540    0.000    0.000
LGA    S   104_A      S   104_A    69.846     0    0.058   0.578    72.705    0.000    0.000
LGA    S   105_A      S   105_A    71.475     0    0.109   0.134    74.690    0.000    0.000
LGA    I   106_A      I   106_A    74.576     0    0.043   0.052    75.998    0.000    0.000
LGA    G   107_A      G   107_A    76.975     0    0.251   0.251    78.879    0.000    0.000
LGA    N   108_A      N   108_A    78.983     0    0.205   1.200    82.618    0.000    0.000
LGA    T   109_A      T   109_A    81.626     0    0.697   0.616    85.721    0.000    0.000
LGA    N   110_A      N   110_A    83.571     0    0.322   0.316    86.317    0.000    0.000
LGA    G   111_A      G   111_A    81.555     0    0.048   0.048    82.329    0.000    0.000
LGA    E   112_A      E   112_A    75.483     0    0.395   0.900    77.839    0.000    0.000
LGA    E   113_A      E   113_A    73.248     0    0.572   0.821    75.304    0.000    0.000
LGA    V   114_A      V   114_A    69.844     0    0.587   1.324    72.461    0.000    0.000
LGA    G   115_A      G   115_A    62.640     0    0.590   0.590    65.481    0.000    0.000
LGA    P   116_A      P   116_A    59.497     0    0.049   0.323    61.379    0.000    0.000
LGA    S   117_A      S   117_A    59.948     0    0.049   0.049    61.349    0.000    0.000
LGA    V   118_A      V   118_A    59.967     0    0.032   0.856    60.687    0.000    0.000
LGA    Y   119_A      Y   119_A    58.050     0    0.033   0.135    58.757    0.000    0.000
LGA    L   120_A      L   120_A    57.595     0    0.018   0.048    57.922    0.000    0.000
LGA    E   121_A      E   121_A    59.166     0    0.028   0.924    64.968    0.000    0.000
LGA    R   122_A      R   122_A    58.342     0    0.009   1.258    65.369    0.000    0.000
LGA    L   123_A      L   123_A    55.568     0    0.000   1.414    56.469    0.000    0.000
LGA    K   124_A      K   124_A    57.077     0    0.037   0.580    58.570    0.000    0.000
LGA    I   125_A      I   125_A    59.312     0    0.016   0.038    62.129    0.000    0.000
LGA    L   126_A      L   126_A    56.856     0    0.047   0.073    57.527    0.000    0.000
LGA    R   127_A      R   127_A    56.114     0    0.031   1.189    57.439    0.000    0.000
LGA    Q   128_A      Q   128_A    59.517     0    0.088   1.144    61.763    0.000    0.000
LGA    R   129_A      R   129_A    60.160     0    0.058   1.156    61.136    0.000    0.000
LGA    C   130_A      C   130_A    58.730     0    0.161   0.172    59.366    0.000    0.000
LGA    G   131_A      G   131_A    60.512     0    0.662   0.662    60.512    0.000    0.000
LGA    L   132_A      L   132_A    60.697     0    0.583   0.518    63.074    0.000    0.000
LGA    D   133_A      D   133_A    60.698     0    0.509   0.504    62.328    0.000    0.000
LGA    N   134_A      N   134_A    60.450     0    0.510   1.154    62.864    0.000    0.000
LGA    T   135_A      T   135_A    62.302     0    0.619   1.365    63.705    0.000    0.000
LGA    K   136_A      K   136_A    67.102     0    0.680   0.883    70.996    0.000    0.000
LGA    Q   137_A      Q   137_A    67.711     0    0.647   0.487    72.675    0.000    0.000
LGA    D   138_A      D   138_A    65.799     0    0.021   0.363    67.567    0.000    0.000
LGA    D   139_A      D   139_A    71.634     0    0.225   1.031    74.052    0.000    0.000
LGA    R   140_A      R   140_A    71.347     0    0.078   0.865    75.895    0.000    0.000
LGA    P   141_A      P   141_A    67.467     0    0.242   0.408    70.059    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):    23.732         23.721                 23.928           39.393   36.434

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    1.73    42.376    41.811     3.771

LGA_LOCAL      RMSD:   1.730  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  38.892  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  23.732  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.637873 * X  +   0.769998 * Y  +   0.014841 * Z  +   4.193997
  Y_new =  -0.105530 * X  +   0.106478 * Y  +  -0.988699 * Z  +  -4.402619
  Z_new =  -0.762877 * X  +   0.629099 * Y  +   0.149177 * Z  + -27.406395 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.163955  0.867751  1.337968   [DEG:   -9.3939   49.7185   76.6600 ]
ZXZ:  0.015009  1.421060 -0.881211   [DEG:    0.8600   81.4208  -50.4897 ]
 
# END of job
