
#######################################################
#                                                     #
#                        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        4.60    37.62
  LCS_AVERAGE:     43.16

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      10_A - 79_A        1.99    38.33
  LCS_AVERAGE:     30.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_A - 43_A        0.98    37.44
  LCS_AVERAGE:     12.47

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   84      3    3    4    8   27   36   47   59   62   64   69   72   77   77   79   79   81   82   82   82 
LCS_GDT     S     2_A     S     2_A      4    4   84      3    3    4    5    5   22   42   46   53   60   67   73   78   80   80   80   81   82   82   82 
LCS_GDT     R     3_A     R     3_A      4   43   84      3    3    4    6   41   46   52   61   68   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     I     4_A     I     4_A     12   44   84      3    3    4   11   16   21   35   51   63   69   73   76   79   80   80   80   81   82   82   82 
LCS_GDT     D     5_A     D     5_A     16   45   84      4   11   16   18   29   43   51   58   65   70   74   77   79   80   80   80   81   82   82   82 
LCS_GDT     E     6_A     E     6_A     18   45   84      5   13   25   37   43   50   56   66   69   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K     7_A     K     7_A     18   46   84      6   13   27   37   45   51   59   66   69   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S     8_A     S     8_A     18   47   84      6   13   27   38   45   54   62   66   69   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S     9_A     S     9_A     31   47   84      5   13   27   38   48   59   64   67   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    10_A     K    10_A     34   70   84      8   23   34   46   56   62   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     A    11_A     A    11_A     34   70   84      8   23   34   46   56   62   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    12_A     K    12_A     34   70   84      6   19   34   46   56   62   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     V    13_A     V    13_A     34   70   84      7   26   40   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     N    14_A     N    14_A     34   70   84     12   30   40   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     D    15_A     D    15_A     34   70   84     12   25   40   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     F    16_A     F    16_A     34   70   84      7   22   43   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     L    17_A     L    17_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     A    18_A     A    18_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    19_A     E    19_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     I    20_A     I    20_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     F    21_A     F    21_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    22_A     K    22_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    23_A     K    23_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     I    24_A     I    24_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     G    25_A     G    25_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S    26_A     S    26_A     34   70   84     12   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    27_A     K    27_A     34   70   84      6   26   38   55   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    28_A     E    28_A     34   70   84     11   30   42   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     N    29_A     N    29_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     T    30_A     T    30_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    31_A     K    31_A     34   70   84     14   30   42   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    32_A     E    32_A     34   70   84     14   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     G    33_A     G    33_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     L    34_A     L    34_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     A    35_A     A    35_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    36_A     E    36_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     L    37_A     L    37_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     Y    38_A     Y    38_A     34   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    39_A     E    39_A     34   70   84     15   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     Y    40_A     Y    40_A     34   70   84     15   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    41_A     K    41_A     34   70   84     16   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    42_A     K    42_A     34   70   84     15   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    43_A     K    43_A     34   70   84     15   30   42   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     Y    44_A     Y    44_A     33   70   84      5   24   38   52   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S    45_A     S    45_A     33   70   84     10   24   38   52   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     D    46_A     D    46_A      4   70   84      3    4    4    6   10   20   44   53   67   71   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     A    47_A     A    47_A      4   70   84      3    6   29   42   48   61   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     D    48_A     D    48_A     11   70   84      7   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     I    49_A     I    49_A     20   70   84      9   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    50_A     E    50_A     20   70   84      9   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     P    51_A     P    51_A     20   70   84      9   25   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     F    52_A     F    52_A     20   70   84     10   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     L    53_A     L    53_A     20   70   84     10   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    54_A     K    54_A     20   70   84     10   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     N    55_A     N    55_A     20   70   84      3   16   39   51   58   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S    56_A     S    56_A     20   70   84      3   17   39   49   58   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S    57_A     S    57_A     20   70   84      6   20   38   52   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     Q    58_A     Q    58_A     20   70   84      4   16   33   49   58   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     F    59_A     F    59_A     20   70   84      4   17   39   49   58   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     F    60_A     F    60_A     20   70   84      4   18   43   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     Q    61_A     Q    61_A     20   70   84     10   28   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     S    62_A     S    62_A     20   70   84      9   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     Y    63_A     Y    63_A     20   70   84      8   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     V    64_A     V    64_A     20   70   84     10   29   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    65_A     E    65_A     20   70   84      8   28   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     R    66_A     R    66_A     20   70   84      7   28   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     G    67_A     G    67_A     20   70   84     10   28   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     L    68_A     L    68_A     20   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     R    69_A     R    69_A     20   70   84     17   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     V    70_A     V    70_A     20   70   84     19   30   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     I    71_A     I    71_A     20   70   84     11   27   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    72_A     E    72_A     20   70   84     10   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     M    73_A     M    73_A     20   70   84     10   28   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    74_A     E    74_A     20   70   84     10   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     R    75_A     R    75_A     20   70   84     10   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     E    76_A     E    76_A     20   70   84      9   26   45   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     G    77_A     G    77_A     20   70   84     10   24   42   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     K    78_A     K    78_A     20   70   84     12   26   41   56   60   64   65   68   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     G    79_A     G    79_A      5   70   84      3    5    5    9   10   49   62   67   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     R    80_A     R    80_A      5   69   84      3    5    6    9   11   23   60   66   70   73   75   77   79   80   80   80   81   82   82   82 
LCS_GDT     I    81_A     I    81_A      5    6   84      3    3    6    6    7    7   46   60   65   70   73   77   79   80   80   80   81   82   82   82 
LCS_GDT     S    82_A     S    82_A      5    6   84      3    3    6    6    7    8   10   12   14   21   39   51   61   72   76   77   81   82   82   82 
LCS_GDT     T    83_A     T    83_A      5    6   84      3    3    6    6    7    8   10   12   14   17   18   19   19   20   21   25   34   54   68   73 
LCS_GDT     S    84_A     S    84_A      5    6   84      3    3    6    6    7    8   10   12   14   17   18   19   19   20   21   22   22   26   29   43 
LCS_GDT     T    85_A     T    85_A      3    6   21      3    3    4    4    5    6    9   12   14   17   18   19   19   20   21   22   22   25   32   43 
LCS_GDT     G    86_A     G    86_A      5    6   21      3    4    5    6    7    8   10   12   14   17   18   19   19   20   21   24   28   41   47   54 
LCS_GDT     I    87_A     I    87_A      5    5   21      3    4    6    6    7    8   10   12   14   17   18   19   19   20   21   22   22   25   28   40 
LCS_GDT     S    88_A     S    88_A      5    5   21      3    4    5    6    7    8   10   12   14   17   18   19   19   20   21   22   22   24   25   27 
LCS_GDT     P    89_A     P    89_A      5    5   21      3    4    5    6    7    8   10   12   14   17   18   19   19   20   21   22   22   24   25   26 
LCS_GDT     Q    90_A     Q    90_A      5    5   21      3    4    5    6    7    8   10   12   14   17   18   19   19   20   21   22   22   24   25   26 
LCS_GDT     M    91_A     M    91_A      3    6   21      3    3    4    6    6    6    7   12   14   17   18   19   19   20   21   22   22   24   25   26 
LCS_GDT     E    92_A     E    92_A      3    6   21      3    3    4    6    6    6    6    6    8   10   11   12   17   20   20   22   22   22   25   26 
LCS_GDT     V    93_A     V    93_A      3    6   21      1    3    4    6    6    7    8   11   12   12   15   17   18   19   21   22   22   24   25   26 
LCS_GDT     T    94_A     T    94_A      3    6   20      0    3    4    6    6    7    9   11   12   12   15   17   18   19   21   22   22   24   25   26 
LCS_GDT     C    95_A     C    95_A      6    8   20      3    5    6    7    8    9    9   12   13   17   17   18   18   19   20   21   21   24   25   26 
LCS_GDT     V    96_A     V    96_A      6    8   20      3    5    6    7    8    9    9   12   13   17   17   18   18   19   20   21   21   24   25   26 
LCS_GDT     P    97_A     P    97_A      6    8   20      3    5    6    7    8    9    9   12   13   17   17   18   18   19   19   20   21   24   25   26 
LCS_GDT     T    98_A     T    98_A      6    8   20      3    5    6    7    8    9    9   12   13   17   17   18   18   19   19   20   21   24   25   26 
LCS_GDT     P    99_A     P    99_A      6    8   20      3    5    6    7    8    9    9   12   13   17   17   18   18   19   19   20   21   21   22   28 
LCS_GDT     T   100_A     T   100_A      6    8   20      3    5    6    7    8    9    9   12   13   17   17   18   18   19   19   20   21   21   22   28 
LCS_GDT     S   101_A     S   101_A      4    8   20      3    4    6    7    8    9    9   12   13   17   17   18   18   19   19   20   21   21   25   28 
LCS_GDT     T   102_A     T   102_A      4    8   20      3    4    4    7    8    9    9   12   13   17   17   18   18   19   19   23   23   26   27   28 
LCS_GDT     V   103_A     V   103_A      7    8   20      5    6    6    7    8    8    9    9   12   17   17   18   18   19   19   20   22   26   27   27 
LCS_GDT     S   104_A     S   104_A      7    8   20      5    6    6    7    8    8    9    9   12   17   17   18   18   19   19   23   23   26   27   27 
LCS_GDT     S   105_A     S   105_A      7    8   20      5    6    6    7    8    8    9    9   13   17   17   18   18   19   19   20   22   26   27   27 
LCS_GDT     I   106_A     I   106_A      7    8   26      5    6    6    7    8    8    9   12   13   17   17   18   18   19   19   20   21   22   26   30 
LCS_GDT     G   107_A     G   107_A      7    8   27      5    6    6    7    8    8    9   10   13   17   17   19   23   25   26   27   29   31   32   32 
LCS_GDT     N   108_A     N   108_A      7    8   27      3    6    6    7    8    8    9   12   13   17   21   22   24   25   26   27   28   29   32   32 
LCS_GDT     T   109_A     T   109_A      7    8   27      3    3    5    7    8   10   16   19   20   21   22   22   24   25   26   27   28   29   30   30 
LCS_GDT     N   110_A     N   110_A      4    8   27      3    3    4    6    8    9   15   18   20   21   22   22   24   25   26   26   28   29   29   30 
LCS_GDT     G   111_A     G   111_A      4    6   31      3    3    4    6    8    9    9   12   13   17   17   21   22   22   24   24   26   27   28   30 
LCS_GDT     E   112_A     E   112_A      4    6   31      3    3    4    4    5    8    9    9   14   20   22   22   25   27   30   30   30   31   32   32 
LCS_GDT     E   113_A     E   113_A      4   17   31      3    3    5    9   14   15   19   21   25   26   27   29   29   29   30   30   30   31   32   32 
LCS_GDT     V   114_A     V   114_A      3   18   31      0    3    4    4    5   10   16   21   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     G   115_A     G   115_A     17   22   31      5   13   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     P   116_A     P   116_A     17   22   31      7   13   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     S   117_A     S   117_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     V   118_A     V   118_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     Y   119_A     Y   119_A     17   22   31      8   13   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     L   120_A     L   120_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     E   121_A     E   121_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     R   122_A     R   122_A     17   22   31      7   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     L   123_A     L   123_A     17   22   31      7   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     K   124_A     K   124_A     17   22   31      7   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     I   125_A     I   125_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     L   126_A     L   126_A     17   22   31      7   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     R   127_A     R   127_A     17   22   31      7   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     Q   128_A     Q   128_A     17   22   31      7   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     R   129_A     R   129_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     C   130_A     C   130_A     17   22   31      8   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     G   131_A     G   131_A     17   22   31      6   14   17   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     L   132_A     L   132_A      3   22   31      3    3    4   10   17   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     D   133_A     D   133_A      4   22   31      3    4    4   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     N   134_A     N   134_A      4   22   31      3    4   14   18   19   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     T   135_A     T   135_A      4   22   31      3    4    4    7   10   19   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     K   136_A     K   136_A      5   22   31      4    4    5    7   18   20   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     Q   137_A     Q   137_A      5    6   31      4    4    5    6    6    6   11   18   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     D   138_A     D   138_A      5    6   31      4    4    5    6    8   17   23   23   25   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     D   139_A     D   139_A      5    6   31      4    4    5    6    6    6   11   13   17   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     R   140_A     R   140_A      5    6   31      3    4    5    6    6    6    9   13   15   28   28   29   29   29   30   30   30   31   32   32 
LCS_GDT     P   141_A     P   141_A      3    6   31      3    3    3    3    4   15   21   21   24   28   28   29   29   29   30   30   30   31   32   32 
LCS_AVERAGE  LCS_A:  28.71  (  12.47   30.50   43.16 )

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     30     45     56     60     64     65     68     70     73     75     77     79     80     80     80     81     82     82     82 
GDT PERCENT_AT  13.48  21.28  31.91  39.72  42.55  45.39  46.10  48.23  49.65  51.77  53.19  54.61  56.03  56.74  56.74  56.74  57.45  58.16  58.16  58.16
GDT RMS_LOCAL    0.37   0.59   1.05   1.28   1.40   1.55   1.62   1.82   1.94   2.26   2.45   2.68   2.91   3.05   3.05   3.05   3.32   3.49   3.49   3.49
GDT RMS_ALL_AT  37.73  37.65  38.50  38.38  38.29  38.45  38.41  38.37  38.35  38.22  38.14  37.98  37.83  37.86  37.86  37.86  37.76  37.85  37.85  37.85

# Checking swapping
#   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    74_A      E    74_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E   112_A      E   112_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    10.514     0    0.501   0.551    12.554    0.238    0.190
LGA    S     2_A      S     2_A    10.375     0    0.240   0.721    12.135    1.548    1.032
LGA    R     3_A      R     3_A     9.586     0    0.591   0.945    22.090    1.786    0.649
LGA    I     4_A      I     4_A    11.033     0    0.052   0.112    16.080    0.119    0.060
LGA    D     5_A      D     5_A    10.165     0    0.100   0.951    10.687    1.548    0.952
LGA    E     6_A      E     6_A     8.066     0    0.032   0.800    11.663    7.738    4.286
LGA    K     7_A      K     7_A     7.443     0    0.009   0.048    11.410   12.976    6.667
LGA    S     8_A      S     8_A     6.651     0    0.052   0.640     7.331   17.738   15.714
LGA    S     9_A      S     9_A     5.652     0    0.014   0.746     6.676   28.333   23.968
LGA    K    10_A      K    10_A     4.110     0    0.123   0.988     9.500   38.810   24.603
LGA    A    11_A      A    11_A     3.994     0    0.022   0.026     4.327   43.452   42.190
LGA    K    12_A      K    12_A     3.560     0    0.050   0.071     6.359   50.238   37.831
LGA    V    13_A      V    13_A     1.932     0    0.030   0.784     2.634   71.071   68.435
LGA    N    14_A      N    14_A     1.945     0    0.016   1.108     4.337   72.857   61.607
LGA    D    15_A      D    15_A     1.983     0    0.024   0.976     3.759   70.833   62.321
LGA    F    16_A      F    16_A     1.602     0    0.017   1.169     4.662   77.143   62.554
LGA    L    17_A      L    17_A     0.895     0    0.031   0.072     1.097   83.690   84.821
LGA    A    18_A      A    18_A     1.260     0    0.045   0.045     1.380   81.429   81.429
LGA    E    19_A      E    19_A     0.930     0    0.012   0.862     3.576   88.214   76.878
LGA    I    20_A      I    20_A     0.894     0    0.013   0.052     1.027   88.214   89.345
LGA    F    21_A      F    21_A     1.142     0    0.033   0.177     1.498   81.429   81.429
LGA    K    22_A      K    22_A     1.494     0    0.008   0.811     6.047   79.286   57.725
LGA    K    23_A      K    23_A     1.277     0    0.028   0.586     1.825   81.429   79.524
LGA    I    24_A      I    24_A     0.947     0    0.010   0.042     1.085   88.214   89.345
LGA    G    25_A      G    25_A     1.111     0    0.205   0.205     1.992   79.286   79.286
LGA    S    26_A      S    26_A     1.701     0    0.095   0.143     2.512   77.143   71.746
LGA    K    27_A      K    27_A     2.288     0    0.048   0.863     3.542   64.762   62.434
LGA    E    28_A      E    28_A     1.813     0    0.182   0.174     1.997   72.857   73.810
LGA    N    29_A      N    29_A     1.053     0    0.009   1.103     2.264   83.690   81.845
LGA    T    30_A      T    30_A     1.501     0    0.020   0.728     3.394   77.143   69.796
LGA    K    31_A      K    31_A     1.745     0    0.006   0.589     4.936   72.857   63.862
LGA    E    32_A      E    32_A     1.067     0    0.027   0.257     1.698   85.952   85.503
LGA    G    33_A      G    33_A     0.886     0    0.057   0.057     0.923   90.476   90.476
LGA    L    34_A      L    34_A     0.865     0    0.010   0.077     1.011   90.476   89.345
LGA    A    35_A      A    35_A     0.782     0    0.005   0.009     0.834   90.476   90.476
LGA    E    36_A      E    36_A     0.923     0    0.010   0.867     2.959   90.476   77.196
LGA    L    37_A      L    37_A     0.518     0    0.008   0.093     0.665   90.476   94.048
LGA    Y    38_A      Y    38_A     0.608     0    0.038   0.123     1.740   92.857   86.786
LGA    E    39_A      E    39_A     1.053     0    0.016   0.863     3.411   83.690   70.847
LGA    Y    40_A      Y    40_A     0.887     0    0.066   0.147     1.039   88.214   89.722
LGA    K    41_A      K    41_A     0.867     0    0.055   0.799     2.169   85.952   80.688
LGA    K    42_A      K    42_A     1.113     0    0.048   0.863     4.572   79.286   66.561
LGA    K    43_A      K    43_A     1.584     0    0.083   0.613     2.599   69.048   67.619
LGA    Y    44_A      Y    44_A     2.448     0    0.180   0.187     3.315   62.857   56.667
LGA    S    45_A      S    45_A     2.515     0    0.325   0.590     3.213   57.262   59.762
LGA    D    46_A      D    46_A     5.855     0    0.552   1.211    10.938   31.786   16.548
LGA    A    47_A      A    47_A     3.905     0    0.526   0.563     5.018   50.833   45.905
LGA    D    48_A      D    48_A     2.060     0    0.618   1.154     8.007   79.524   47.619
LGA    I    49_A      I    49_A     0.979     0    0.207   1.358     2.573   81.548   75.417
LGA    E    50_A      E    50_A     1.544     0    0.058   0.687     2.446   75.000   71.111
LGA    P    51_A      P    51_A     1.924     0    0.094   0.108     1.932   72.857   72.857
LGA    F    52_A      F    52_A     1.630     0    0.074   1.620     5.694   72.857   63.810
LGA    L    53_A      L    53_A     1.468     0    0.045   0.478     2.332   75.000   77.262
LGA    K    54_A      K    54_A     1.649     0    0.046   0.630     3.407   68.810   69.471
LGA    N    55_A      N    55_A     3.303     0    0.241   0.230     4.161   50.119   46.786
LGA    S    56_A      S    56_A     3.078     0    0.696   0.825     5.180   44.048   48.413
LGA    S    57_A      S    57_A     2.646     0    0.134   0.652     4.951   60.952   55.397
LGA    Q    58_A      Q    58_A     3.420     0    0.013   0.934     7.192   50.000   36.138
LGA    F    59_A      F    59_A     2.960     0    0.047   0.147     4.669   60.952   49.351
LGA    F    60_A      F    60_A     1.533     0    0.143   0.258     1.953   77.143   81.515
LGA    Q    61_A      Q    61_A     1.220     0    0.061   1.181     5.906   81.429   59.471
LGA    S    62_A      S    62_A     1.467     0    0.031   0.032     1.724   79.286   77.143
LGA    Y    63_A      Y    63_A     1.063     0    0.051   0.090     1.601   85.952   81.508
LGA    V    64_A      V    64_A     0.527     0    0.020   1.030     2.394   90.476   84.286
LGA    E    65_A      E    65_A     1.112     0    0.028   0.857     4.890   83.690   66.772
LGA    R    66_A      R    66_A     1.365     0    0.028   1.115     4.701   81.429   69.004
LGA    G    67_A      G    67_A     0.879     0    0.115   0.115     0.895   90.476   90.476
LGA    L    68_A      L    68_A     0.228     0    0.020   0.067     0.697  100.000   98.810
LGA    R    69_A      R    69_A     0.598     0    0.011   1.503     7.700   95.238   60.779
LGA    V    70_A      V    70_A     0.210     0    0.057   1.112     3.128   97.619   86.258
LGA    I    71_A      I    71_A     0.925     0    0.019   0.643     2.630   86.190   83.036
LGA    E    72_A      E    72_A     1.449     0    0.012   0.779     3.814   79.286   69.894
LGA    M    73_A      M    73_A     1.095     0    0.017   1.078     4.741   81.429   69.464
LGA    E    74_A      E    74_A     1.243     0    0.068   0.804     2.892   79.286   70.529
LGA    R    75_A      R    75_A     1.491     0    0.029   0.994     3.237   77.143   72.597
LGA    E    76_A      E    76_A     1.631     0    0.191   0.943     4.321   70.833   63.704
LGA    G    77_A      G    77_A     1.852     0    0.109   0.109     2.381   70.833   70.833
LGA    K    78_A      K    78_A     2.128     0    0.345   0.695     4.536   54.762   59.524
LGA    G    79_A      G    79_A     4.515     0    0.644   0.644     7.400   29.405   29.405
LGA    R    80_A      R    80_A     4.617     0    0.137   1.111    13.170   26.548   17.013
LGA    I    81_A      I    81_A     8.181     0    0.178   0.195    12.579    6.667    3.750
LGA    S    82_A      S    82_A    13.620     0    0.025   0.637    17.210    0.000    0.000
LGA    T    83_A      T    83_A    18.082     0    0.610   0.524    20.809    0.000    0.000
LGA    S    84_A      S    84_A    24.664     0    0.448   0.708    26.600    0.000    0.000
LGA    T    85_A      T    85_A    26.586     0    0.220   1.157    26.974    0.000    0.000
LGA    G    86_A      G    86_A    27.494     0    0.548   0.548    31.630    0.000    0.000
LGA    I    87_A      I    87_A    30.908     0    0.187   0.184    33.052    0.000    0.000
LGA    S    88_A      S    88_A    32.850     0    0.048   0.667    35.724    0.000    0.000
LGA    P    89_A      P    89_A    35.596     0    0.644   0.576    39.766    0.000    0.000
LGA    Q    90_A      Q    90_A    41.633     0    0.665   1.151    45.689    0.000    0.000
LGA    M    91_A      M    91_A    41.589     0    0.102   0.799    42.573    0.000    0.000
LGA    E    92_A      E    92_A    43.570     0    0.300   1.025    45.210    0.000    0.000
LGA    V    93_A      V    93_A    48.978     0    0.684   0.552    52.725    0.000    0.000
LGA    T    94_A      T    94_A    51.722     0    0.178   1.129    52.602    0.000    0.000
LGA    C    95_A      C    95_A    55.986     0    0.579   0.543    57.597    0.000    0.000
LGA    V    96_A      V    96_A    55.950     0    0.030   1.153    58.659    0.000    0.000
LGA    P    97_A      P    97_A    55.566     0    0.030   0.301    57.222    0.000    0.000
LGA    T    98_A      T    98_A    58.048     0    0.073   0.934    61.106    0.000    0.000
LGA    P    99_A      P    99_A    59.253     0    0.034   0.346    61.191    0.000    0.000
LGA    T   100_A      T   100_A    60.757     0    0.158   1.147    62.919    0.000    0.000
LGA    S   101_A      S   101_A    61.702     0    0.614   0.805    62.655    0.000    0.000
LGA    T   102_A      T   102_A    61.590     0    0.568   0.612    62.463    0.000    0.000
LGA    V   103_A      V   103_A    65.681     0    0.348   1.235    67.602    0.000    0.000
LGA    S   104_A      S   104_A    68.912     0    0.089   0.557    70.239    0.000    0.000
LGA    S   105_A      S   105_A    70.129     0    0.030   0.039    72.358    0.000    0.000
LGA    I   106_A      I   106_A    72.460     0    0.064   0.089    73.333    0.000    0.000
LGA    G   107_A      G   107_A    75.631     0    0.270   0.270    76.629    0.000    0.000
LGA    N   108_A      N   108_A    77.143     0    0.194   1.199    81.661    0.000    0.000
LGA    T   109_A      T   109_A    78.793     0    0.695   0.615    82.777    0.000    0.000
LGA    N   110_A      N   110_A    82.081     0    0.322   0.312    84.286    0.000    0.000
LGA    G   111_A      G   111_A    80.857     0    0.047   0.047    81.244    0.000    0.000
LGA    E   112_A      E   112_A    77.240     0    0.399   0.911    78.580    0.000    0.000
LGA    E   113_A      E   113_A    75.776     0    0.567   1.150    79.010    0.000    0.000
LGA    V   114_A      V   114_A    72.408     0    0.558   1.275    73.811    0.000    0.000
LGA    G   115_A      G   115_A    66.082     0    0.564   0.564    68.534    0.000    0.000
LGA    P   116_A      P   116_A    62.424     0    0.053   0.326    65.401    0.000    0.000
LGA    S   117_A      S   117_A    63.915     0    0.043   0.044    66.933    0.000    0.000
LGA    V   118_A      V   118_A    62.229     0    0.032   0.859    63.070    0.000    0.000
LGA    Y   119_A      Y   119_A    58.403     0    0.029   0.116    59.977    0.000    0.000
LGA    L   120_A      L   120_A    58.242     0    0.016   0.050    59.835    0.000    0.000
LGA    E   121_A      E   121_A    60.201     0    0.028   0.911    67.781    0.000    0.000
LGA    R   122_A      R   122_A    56.931     0    0.015   1.231    64.056    0.000    0.000
LGA    L   123_A      L   123_A    53.086     0    0.004   1.406    54.587    0.000    0.000
LGA    K   124_A      K   124_A    55.888     0    0.040   0.554    59.655    0.000    0.000
LGA    I   125_A      I   125_A    57.101     0    0.012   0.040    61.176    0.000    0.000
LGA    L   126_A      L   126_A    52.295     0    0.047   0.075    53.907    0.000    0.000
LGA    R   127_A      R   127_A    51.637     0    0.030   1.165    52.957    0.000    0.000
LGA    Q   128_A      Q   128_A    56.063     0    0.089   1.146    60.756    0.000    0.000
LGA    R   129_A      R   129_A    54.869     0    0.060   1.160    56.599    0.000    0.000
LGA    C   130_A      C   130_A    51.987     0    0.161   0.171    52.781    0.000    0.000
LGA    G   131_A      G   131_A    54.522     0    0.658   0.658    54.522    0.000    0.000
LGA    L   132_A      L   132_A    54.588     0    0.573   0.510    55.283    0.000    0.000
LGA    D   133_A      D   133_A    57.400     0    0.496   0.449    59.925    0.000    0.000
LGA    N   134_A      N   134_A    57.431     0    0.453   1.198    58.624    0.000    0.000
LGA    T   135_A      T   135_A    62.189     0    0.013   1.086    64.335    0.000    0.000
LGA    K   136_A      K   136_A    64.826     0    0.528   1.093    71.132    0.000    0.000
LGA    Q   137_A      Q   137_A    65.206     0    0.028   1.193    67.152    0.000    0.000
LGA    D   138_A      D   138_A    65.630     0    0.096   1.074    67.116    0.000    0.000
LGA    D   139_A      D   139_A    65.472     0    0.599   1.141    66.823    0.000    0.000
LGA    R   140_A      R   140_A    67.177     0    0.284   1.570    76.355    0.000    0.000
LGA    P   141_A      P   141_A    63.142     0    0.157   0.328    66.864    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):    23.111         23.105                 23.299           37.964   34.779

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     68    1.82    41.489    40.880     3.548

LGA_LOCAL      RMSD:   1.816  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  38.370  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  23.111  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.586029 * X  +  -0.669141 * Y  +   0.456969 * Z  +  17.405855
  Y_new =   0.788441 * X  +  -0.340815 * Y  +   0.512060 * Z  +  -6.639821
  Z_new =  -0.186899 * X  +   0.660375 * Y  +   0.727306 * Z  + -27.012175 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.209980  0.188004  0.737203   [DEG:  126.6225   10.7719   42.2386 ]
ZXZ:  2.412986  0.756408 -0.275806   [DEG:  138.2539   43.3390  -15.8025 ]
 
# END of job
