
#######################################################
#                                                     #
#                        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        4.94    37.18
  LCS_AVERAGE:     43.47

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      11_A - 80_A        1.98    38.03
  LCS_AVERAGE:     30.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_A - 43_A        0.96    37.25
  LCS_AVERAGE:     12.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      3    4   84      0    3    3    4    4    4    5    5    6   33   35   39   44   46   49   58   67   72   77   81 
LCS_GDT     S     2_A     S     2_A      3    4   84      3    3    4    4   10   11   16   18   18   33   35   39   44   46   49   55   61   67   72   80 
LCS_GDT     R     3_A     R     3_A      3    8   84      3    3    4    7   10   13   21   25   26   33   39   45   56   66   73   76   78   80   80   81 
LCS_GDT     I     4_A     I     4_A      3   12   84      3    3    4    4    5    7   12   15   20   29   46   53   63   71   73   79   79   80   80   81 
LCS_GDT     D     5_A     D     5_A     14   45   84      3    6   14   28   42   48   57   64   70   71   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E     6_A     E     6_A     17   46   84      3   13   26   38   48   55   64   68   70   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K     7_A     K     7_A     17   46   84      3    8   20   35   46   54   61   68   70   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S     8_A     S     8_A     19   47   84      5   15   30   43   51   61   66   68   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S     9_A     S     9_A     30   47   84      3   14   30   44   53   63   66   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    10_A     K    10_A     34   69   84      6   23   35   46   58   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     A    11_A     A    11_A     34   70   84      6   23   35   48   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    12_A     K    12_A     34   70   84      5   20   34   48   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     V    13_A     V    13_A     34   70   84     11   27   43   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     N    14_A     N    14_A     34   70   84     15   29   43   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     D    15_A     D    15_A     34   70   84      7   26   41   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     F    16_A     F    16_A     34   70   84      7   23   43   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     L    17_A     L    17_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     A    18_A     A    18_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    19_A     E    19_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     I    20_A     I    20_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     F    21_A     F    21_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    22_A     K    22_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    23_A     K    23_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     I    24_A     I    24_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     G    25_A     G    25_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S    26_A     S    26_A     34   70   84     15   28   42   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    27_A     K    27_A     34   70   84      3    5   31   47   58   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    28_A     E    28_A     34   70   84      4   24   36   53   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     N    29_A     N    29_A     34   70   84     10   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     T    30_A     T    30_A     34   70   84      9   28   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    31_A     K    31_A     34   70   84     18   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    32_A     E    32_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     G    33_A     G    33_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     L    34_A     L    34_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     A    35_A     A    35_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    36_A     E    36_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     L    37_A     L    37_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     Y    38_A     Y    38_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    39_A     E    39_A     34   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     Y    40_A     Y    40_A     34   70   84     15   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    41_A     K    41_A     34   70   84     16   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    42_A     K    42_A     34   70   84     15   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    43_A     K    43_A     34   70   84     15   29   44   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     Y    44_A     Y    44_A     33   70   84      5   23   36   50   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S    45_A     S    45_A     32   70   84      5   22   36   48   58   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     D    46_A     D    46_A      4   70   84      3    4    4    8   11   22   40   56   68   71   74   77   77   78   78   79   79   80   80   81 
LCS_GDT     A    47_A     A    47_A      4   70   84      3    4   19   29   45   58   66   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     D    48_A     D    48_A     24   70   84      9   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     I    49_A     I    49_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    50_A     E    50_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     P    51_A     P    51_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     F    52_A     F    52_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     L    53_A     L    53_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    54_A     K    54_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     N    55_A     N    55_A     24   70   84      3   23   40   50   57   63   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S    56_A     S    56_A     24   70   84      4   19   40   49   57   63   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S    57_A     S    57_A     24   70   84      4   19   36   49   57   63   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     Q    58_A     Q    58_A     24   70   84      4   11   34   49   56   63   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     F    59_A     F    59_A     24   70   84      4   16   37   49   56   63   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     F    60_A     F    60_A     24   70   84      4   22   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     Q    61_A     Q    61_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S    62_A     S    62_A     24   70   84     10   28   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     Y    63_A     Y    63_A     24   70   84      9   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     V    64_A     V    64_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    65_A     E    65_A     24   70   84      9   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     R    66_A     R    66_A     24   70   84      8   28   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     G    67_A     G    67_A     24   70   84      9   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     L    68_A     L    68_A     24   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     R    69_A     R    69_A     24   70   84     15   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     V    70_A     V    70_A     24   70   84     18   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     I    71_A     I    71_A     24   70   84     11   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    72_A     E    72_A     19   70   84      9   29   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     M    73_A     M    73_A     19   70   84     13   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    74_A     E    74_A     19   70   84      9   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     R    75_A     R    75_A     19   70   84     10   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     E    76_A     E    76_A     19   70   84     10   31   46   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     G    77_A     G    77_A     19   70   84      9   24   43   54   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     K    78_A     K    78_A     19   70   84      5   23   35   50   59   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     G    79_A     G    79_A     13   70   84      3   19   34   42   55   64   66   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     R    80_A     R    80_A      7   70   84      3    3    5   40   58   64   67   69   72   73   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     I    81_A     I    81_A      3   34   84      3    3    4    5   29   47   57   68   70   72   75   77   77   78   78   79   79   80   80   81 
LCS_GDT     S    82_A     S    82_A      3    7   84      3    3    4    5    6    8   14   28   49   64   71   73   76   78   78   79   79   80   80   81 
LCS_GDT     T    83_A     T    83_A      4    7   84      4    4    4    5    6    8    9    9   12   15   18   20   20   21   28   39   64   72   77   79 
LCS_GDT     S    84_A     S    84_A      4    7   84      4    4    4    5    6    8    9   10   13   15   18   20   20   21   24   36   54   60   69   74 
LCS_GDT     T    85_A     T    85_A      4    7   83      4    4    4    4    6    7    8    9   13   15   18   20   20   21   21   21   23   33   42   54 
LCS_GDT     G    86_A     G    86_A      4    7   21      4    4    4    5    6    8    9    9   13   15   18   20   20   21   21   22   27   37   43   55 
LCS_GDT     I    87_A     I    87_A      4    5   21      3    4    4    5    6    8    9   10   13   15   18   20   20   21   21   21   22   23   23   24 
LCS_GDT     S    88_A     S    88_A      4    5   21      3    4    4    5    6    8    9   10   13   15   18   20   20   21   21   21   22   23   23   24 
LCS_GDT     P    89_A     P    89_A      4    5   21      3    4    4    5    6    8    9   10   13   15   18   20   20   21   21   21   22   23   23   24 
LCS_GDT     Q    90_A     Q    90_A      4    5   21      3    4    4    4    6    7    9   10   13   15   18   20   20   21   21   21   22   23   23   24 
LCS_GDT     M    91_A     M    91_A      3    6   21      3    3    4    4    5    6    7    7    8   15   18   20   20   21   21   21   22   23   23   24 
LCS_GDT     E    92_A     E    92_A      5    6   21      3    4    5    5    6    7    9   10   13   15   18   20   20   21   21   21   22   23   23   24 
LCS_GDT     V    93_A     V    93_A      5    6   21      3    4    5    5    5    8    9    9   11   12   14   15   19   21   21   21   22   23   23   24 
LCS_GDT     T    94_A     T    94_A      5    6   20      3    4    5    5    5    6    7    9   10   11   14   18   19   19   20   21   22   23   23   24 
LCS_GDT     C    95_A     C    95_A      6    8   20      3    4    6    6    8    8    9   12   15   17   17   18   19   19   20   21   21   23   23   24 
LCS_GDT     V    96_A     V    96_A      6    8   20      4    5    6    6    8    8    9   12   15   17   17   18   19   19   20   21   21   23   23   24 
LCS_GDT     P    97_A     P    97_A      6    8   20      4    5    6    6    8    8    8   11   15   17   17   18   19   19   20   21   21   23   23   24 
LCS_GDT     T    98_A     T    98_A      6    8   20      4    5    6    6    8    8    9   12   15   17   17   18   19   19   20   21   21   23   23   24 
LCS_GDT     P    99_A     P    99_A      6    8   20      4    5    6    6    8    8    9   12   15   17   17   18   19   19   20   21   21   23   23   23 
LCS_GDT     T   100_A     T   100_A      6    8   20      3    5    6    6    8    8    9   12   15   17   17   18   19   19   20   21   21   23   23   25 
LCS_GDT     S   101_A     S   101_A      6    8   20      3    3    5    6    8    8    8   10   14   17   17   18   19   19   20   21   21   23   23   23 
LCS_GDT     T   102_A     T   102_A      3    8   20      3    3    3    6    8    8    8   11   15   17   17   18   19   19   20   21   21   23   23   23 
LCS_GDT     V   103_A     V   103_A      6    8   20      3    5    6    7    7    8    9   12   15   17   17   18   19   19   20   21   21   23   23   23 
LCS_GDT     S   104_A     S   104_A      6    8   20      3    5    6    7    7    8    9   12   15   17   17   18   19   19   20   21   21   23   23   23 
LCS_GDT     S   105_A     S   105_A      6    8   20      3    5    6    7    7    8    8   11   15   17   17   18   19   19   20   21   21   23   27   28 
LCS_GDT     I   106_A     I   106_A      6    8   26      3    5    6    7    7    8    9   12   15   17   17   18   19   19   20   21   23   24   27   32 
LCS_GDT     G   107_A     G   107_A      6    8   27      3    5    6    7    7    8    9   12   15   17   17   19   23   24   26   28   32   32   33   33 
LCS_GDT     N   108_A     N   108_A      6    8   27      3    5    6    7    7    8    9   12   15   17   20   22   24   25   27   27   32   32   33   33 
LCS_GDT     T   109_A     T   109_A      5    8   27      3    3    6    7    7    8   16   18   21   22   22   23   24   25   27   27   29   32   33   33 
LCS_GDT     N   110_A     N   110_A      4    8   27      3    3    4    7    8   10   14   18   21   22   22   23   24   25   26   27   27   29   31   33 
LCS_GDT     G   111_A     G   111_A      4    6   31      3    3    4    5    5    7    8   11   15   17   19   21   22   23   24   24   26   27   30   32 
LCS_GDT     E   112_A     E   112_A      4    6   31      3    3    4    5    6    7    8   10   14   22   22   23   25   29   30   30   32   32   33   33 
LCS_GDT     E   113_A     E   113_A      4    6   31      3    3    5    7   11   14   16   20   22   25   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     V   114_A     V   114_A      4   18   31      1    3    4    5    5    8   16   22   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     G   115_A     G   115_A     17   22   31      5   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     P   116_A     P   116_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     S   117_A     S   117_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     V   118_A     V   118_A     17   22   31      7   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     Y   119_A     Y   119_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     L   120_A     L   120_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     E   121_A     E   121_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     R   122_A     R   122_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     L   123_A     L   123_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     K   124_A     K   124_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     I   125_A     I   125_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     L   126_A     L   126_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     R   127_A     R   127_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     Q   128_A     Q   128_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     R   129_A     R   129_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     C   130_A     C   130_A     17   22   31      8   16   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     G   131_A     G   131_A     17   22   31      6   14   17   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     L   132_A     L   132_A      3   22   31      1    3    3   14   18   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     D   133_A     D   133_A      3   22   31      3    3   14   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     N   134_A     N   134_A      3   22   31      3    4   14   18   19   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     T   135_A     T   135_A      3   22   31      3    3    3    6   15   20   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     K   136_A     K   136_A      3   22   31      0    3    3    5    5   11   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     Q   137_A     Q   137_A      4    4   31      3    4    4    4    4    4   11   22   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     D   138_A     D   138_A      4    4   31      3    4    4    4    5    6    6    7   13   17   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     D   139_A     D   139_A      4    4   31      3    4    4    4    4    4    6   11   13   17   23   28   29   29   30   30   32   32   33   33 
LCS_GDT     R   140_A     R   140_A      4    4   31      3    4    4    5    6   12   23   24   25   26   27   28   29   29   30   30   32   32   33   33 
LCS_GDT     P   141_A     P   141_A      3    3   31      3    3    3    3    3   20   21   24   25   26   27   27   29   29   30   30   32   32   33   33 
LCS_AVERAGE  LCS_A:  28.84  (  12.84   30.22   43.47 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     18     31     46     54     59     64     67     69     72     73     75     77     77     78     78     79     79     80     80     81 
GDT PERCENT_AT  12.77  21.99  32.62  38.30  41.84  45.39  47.52  48.94  51.06  51.77  53.19  54.61  54.61  55.32  55.32  56.03  56.03  56.74  56.74  57.45
GDT RMS_LOCAL    0.34   0.76   0.98   1.17   1.41   1.60   1.74   1.82   2.06   2.17   2.37   2.58   2.58   2.77   2.77   3.15   3.15   3.53   3.53   3.96
GDT RMS_ALL_AT  37.48  38.31  38.20  38.13  37.98  37.88  38.08  38.07  37.94  37.87  37.73  37.66  37.66  37.61  37.61  37.46  37.46  37.33  37.33  37.31

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    32_A      E    32_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    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   112_A      E   112_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    21.517     0    0.048   0.073    22.855    0.000    0.000
LGA    S     2_A      S     2_A    22.222     0    0.557   0.540    25.505    0.000    0.000
LGA    R     3_A      R     3_A    19.005     0    0.605   1.056    20.573    0.000    0.000
LGA    I     4_A      I     4_A    16.655     0    0.588   0.586    22.740    0.000    0.000
LGA    D     5_A      D     5_A     9.710     0    0.664   1.467    12.351    2.619    6.012
LGA    E     6_A      E     6_A     7.265     0    0.016   0.132     8.336   10.476   11.323
LGA    K     7_A      K     7_A     7.991     0    0.653   0.555     9.565    4.881    6.138
LGA    S     8_A      S     8_A     5.951     0    0.206   0.222     7.630   22.976   19.365
LGA    S     9_A      S     9_A     5.241     0    0.032   0.717     6.492   32.024   27.778
LGA    K    10_A      K    10_A     3.835     0    0.068   0.977     9.478   43.452   27.778
LGA    A    11_A      A    11_A     3.558     0    0.041   0.045     3.811   48.452   47.429
LGA    K    12_A      K    12_A     3.214     0    0.049   0.065     5.667   55.476   42.381
LGA    V    13_A      V    13_A     1.645     0    0.048   0.809     2.277   75.119   73.061
LGA    N    14_A      N    14_A     1.691     0    0.017   1.107     4.182   75.000   64.524
LGA    D    15_A      D    15_A     1.880     0    0.029   0.973     3.384   72.857   66.012
LGA    F    16_A      F    16_A     1.614     0    0.015   1.181     4.852   77.143   62.035
LGA    L    17_A      L    17_A     0.781     0    0.025   0.084     1.042   90.476   89.345
LGA    A    18_A      A    18_A     1.077     0    0.038   0.037     1.185   85.952   85.048
LGA    E    19_A      E    19_A     0.777     0    0.011   0.850     3.346   90.476   79.418
LGA    I    20_A      I    20_A     0.813     0    0.022   0.061     0.986   90.476   90.476
LGA    F    21_A      F    21_A     1.159     0    0.034   0.143     1.495   81.429   81.429
LGA    K    22_A      K    22_A     1.509     0    0.009   0.918     5.442   77.143   57.831
LGA    K    23_A      K    23_A     1.236     0    0.019   0.585     1.816   81.429   80.476
LGA    I    24_A      I    24_A     0.934     0    0.009   0.056     1.087   83.690   87.083
LGA    G    25_A      G    25_A     1.381     0    0.221   0.221     2.202   75.119   75.119
LGA    S    26_A      S    26_A     1.823     0    0.026   0.680     1.907   75.000   78.810
LGA    K    27_A      K    27_A     3.134     0    0.112   0.985     7.356   50.119   33.915
LGA    E    28_A      E    28_A     2.540     0    0.644   0.573     4.766   50.714   59.418
LGA    N    29_A      N    29_A     0.489     0    0.057   0.980     3.046   92.857   84.345
LGA    T    30_A      T    30_A     1.363     0    0.056   0.787     2.901   81.548   74.558
LGA    K    31_A      K    31_A     1.544     0    0.036   1.041     6.139   79.286   57.778
LGA    E    32_A      E    32_A     0.846     0    0.030   0.912     3.860   88.214   78.730
LGA    G    33_A      G    33_A     0.829     0    0.059   0.059     0.831   90.476   90.476
LGA    L    34_A      L    34_A     0.764     0    0.012   0.055     0.863   90.476   90.476
LGA    A    35_A      A    35_A     0.719     0    0.015   0.015     0.756   90.476   90.476
LGA    E    36_A      E    36_A     0.843     0    0.014   0.145     1.690   90.476   85.503
LGA    L    37_A      L    37_A     0.413     0    0.007   0.097     0.561   97.619   98.810
LGA    Y    38_A      Y    38_A     0.480     0    0.032   0.238     0.769   95.238   95.238
LGA    E    39_A      E    39_A     0.856     0    0.007   0.865     2.882   88.214   77.196
LGA    Y    40_A      Y    40_A     0.842     0    0.061   0.123     1.116   88.214   88.214
LGA    K    41_A      K    41_A     0.944     0    0.037   0.812     2.105   85.952   80.688
LGA    K    42_A      K    42_A     1.203     0    0.025   0.623     3.565   79.286   76.296
LGA    K    43_A      K    43_A     1.786     0    0.086   0.617     2.926   66.905   64.074
LGA    Y    44_A      Y    44_A     2.868     0    0.204   0.214     4.192   57.262   49.167
LGA    S    45_A      S    45_A     3.011     0    0.327   0.591     3.786   50.119   52.460
LGA    D    46_A      D    46_A     6.263     0    0.540   1.214    11.277   27.976   14.345
LGA    A    47_A      A    47_A     4.780     0    0.543   0.577     5.892   40.833   36.952
LGA    D    48_A      D    48_A     1.530     0    0.625   1.152     7.559   83.810   51.726
LGA    I    49_A      I    49_A     0.782     0    0.175   1.342     2.408   83.690   77.440
LGA    E    50_A      E    50_A     1.255     0    0.049   0.987     2.513   81.429   75.926
LGA    P    51_A      P    51_A     1.541     0    0.090   0.104     1.541   77.143   77.755
LGA    F    52_A      F    52_A     1.415     0    0.068   1.628     5.750   81.429   66.104
LGA    L    53_A      L    53_A     1.195     0    0.061   0.497     2.430   81.429   79.405
LGA    K    54_A      K    54_A     1.045     0    0.083   0.150     1.562   79.286   80.529
LGA    N    55_A      N    55_A     2.860     0    0.249   0.238     3.515   57.262   52.798
LGA    S    56_A      S    56_A     2.976     0    0.080   0.653     3.104   53.571   58.810
LGA    S    57_A      S    57_A     3.364     0    0.024   0.724     5.366   51.786   47.222
LGA    Q    58_A      Q    58_A     3.694     0    0.086   1.560     9.268   43.333   27.619
LGA    F    59_A      F    59_A     3.363     0    0.056   1.448     3.482   53.571   59.567
LGA    F    60_A      F    60_A     1.698     0    0.128   0.207     2.235   75.119   81.602
LGA    Q    61_A      Q    61_A     1.242     0    0.057   0.956     4.655   81.429   66.508
LGA    S    62_A      S    62_A     1.622     0    0.032   0.033     2.010   77.143   74.365
LGA    Y    63_A      Y    63_A     1.222     0    0.051   0.156     2.074   83.690   78.651
LGA    V    64_A      V    64_A     0.546     0    0.026   1.036     2.391   90.476   84.286
LGA    E    65_A      E    65_A     1.121     0    0.024   0.854     4.818   83.690   65.820
LGA    R    66_A      R    66_A     1.512     0    0.026   1.128     3.207   79.286   78.701
LGA    G    67_A      G    67_A     1.139     0    0.109   0.109     1.139   85.952   85.952
LGA    L    68_A      L    68_A     0.414     0    0.021   0.067     0.759   97.619   97.619
LGA    R    69_A      R    69_A     0.470     0    0.013   1.511     7.348   97.619   63.983
LGA    V    70_A      V    70_A     0.481     0    0.060   1.112     3.467   97.619   86.190
LGA    I    71_A      I    71_A     0.821     0    0.023   0.650     2.593   90.595   84.107
LGA    E    72_A      E    72_A     1.191     0    0.037   0.106     2.151   83.690   77.725
LGA    M    73_A      M    73_A     0.857     0    0.020   0.871     3.262   90.476   81.250
LGA    E    74_A      E    74_A     0.939     0    0.072   0.847     3.853   85.952   76.508
LGA    R    75_A      R    75_A     0.868     0    0.022   1.089     4.139   90.476   72.944
LGA    E    76_A      E    76_A     1.017     0    0.187   0.240     2.075   79.524   77.725
LGA    G    77_A      G    77_A     1.847     0    0.065   0.065     2.800   69.048   69.048
LGA    K    78_A      K    78_A     2.714     0    0.540   0.841     6.358   44.048   49.048
LGA    G    79_A      G    79_A     3.735     0    0.263   0.263     5.544   41.310   41.310
LGA    R    80_A      R    80_A     2.847     0    0.576   1.362    11.399   55.476   30.216
LGA    I    81_A      I    81_A     6.511     0    0.615   0.607    10.752   13.690    8.095
LGA    S    82_A      S    82_A    10.112     0    0.072   0.643    12.749    1.190    0.794
LGA    T    83_A      T    83_A    15.324     0    0.506   1.131    19.130    0.000    0.000
LGA    S    84_A      S    84_A    20.177     0    0.106   0.605    21.987    0.000    0.000
LGA    T    85_A      T    85_A    25.785     0    0.168   1.121    28.018    0.000    0.000
LGA    G    86_A      G    86_A    27.621     0    0.423   0.423    31.360    0.000    0.000
LGA    I    87_A      I    87_A    29.745     0    0.605   1.366    30.423    0.000    0.000
LGA    S    88_A      S    88_A    32.029     0    0.062   0.676    34.798    0.000    0.000
LGA    P    89_A      P    89_A    36.121     0    0.661   0.613    39.351    0.000    0.000
LGA    Q    90_A      Q    90_A    39.488     0    0.671   1.158    40.771    0.000    0.000
LGA    M    91_A      M    91_A    39.403     0    0.514   1.065    42.004    0.000    0.000
LGA    E    92_A      E    92_A    44.731     0    0.538   0.567    47.546    0.000    0.000
LGA    V    93_A      V    93_A    48.064     0    0.039   1.155    51.702    0.000    0.000
LGA    T    94_A      T    94_A    51.848     0    0.096   1.130    53.057    0.000    0.000
LGA    C    95_A      C    95_A    56.781     0    0.601   0.890    61.322    0.000    0.000
LGA    V    96_A      V    96_A    55.473     0    0.159   1.153    57.207    0.000    0.000
LGA    P    97_A      P    97_A    55.166     0    0.039   0.319    56.638    0.000    0.000
LGA    T    98_A      T    98_A    57.411     0    0.023   0.939    59.466    0.000    0.000
LGA    P    99_A      P    99_A    59.269     0    0.404   0.396    61.914    0.000    0.000
LGA    T   100_A      T   100_A    59.031     0    0.696   0.644    59.940    0.000    0.000
LGA    S   101_A      S   101_A    61.372     0    0.221   0.249    61.893    0.000    0.000
LGA    T   102_A      T   102_A    58.873     0    0.581   0.901    59.650    0.000    0.000
LGA    V   103_A      V   103_A    62.655     0    0.615   0.607    65.674    0.000    0.000
LGA    S   104_A      S   104_A    66.946     0    0.145   0.561    68.514    0.000    0.000
LGA    S   105_A      S   105_A    69.238     0    0.123   0.151    71.984    0.000    0.000
LGA    I   106_A      I   106_A    71.901     0    0.049   0.067    72.784    0.000    0.000
LGA    G   107_A      G   107_A    74.948     0    0.255   0.255    76.250    0.000    0.000
LGA    N   108_A      N   108_A    76.762     0    0.205   1.199    80.919    0.000    0.000
LGA    T   109_A      T   109_A    79.287     0    0.696   0.616    83.652    0.000    0.000
LGA    N   110_A      N   110_A    82.732     0    0.323   0.315    84.970    0.000    0.000
LGA    G   111_A      G   111_A    81.533     0    0.049   0.049    81.888    0.000    0.000
LGA    E   112_A      E   112_A    76.491     0    0.395   0.900    78.343    0.000    0.000
LGA    E   113_A      E   113_A    74.156     0    0.569   1.132    76.558    0.000    0.000
LGA    V   114_A      V   114_A    70.566     0    0.589   1.322    72.443    0.000    0.000
LGA    G   115_A      G   115_A    64.069     0    0.591   0.591    66.584    0.000    0.000
LGA    P   116_A      P   116_A    60.675     0    0.050   0.321    63.355    0.000    0.000
LGA    S   117_A      S   117_A    61.506     0    0.040   0.041    63.982    0.000    0.000
LGA    V   118_A      V   118_A    60.333     0    0.033   0.856    60.949    0.000    0.000
LGA    Y   119_A      Y   119_A    57.482     0    0.032   0.114    58.659    0.000    0.000
LGA    L   120_A      L   120_A    57.031     0    0.014   0.050    57.946    0.000    0.000
LGA    E   121_A      E   121_A    58.662     0    0.028   0.911    65.081    0.000    0.000
LGA    R   122_A      R   122_A    56.498     0    0.008   1.252    64.149    0.000    0.000
LGA    L   123_A      L   123_A    53.063     0    0.012   1.409    54.344    0.000    0.000
LGA    K   124_A      K   124_A    55.063     0    0.038   0.584    57.263    0.000    0.000
LGA    I   125_A      I   125_A    56.785     0    0.014   0.037    60.433    0.000    0.000
LGA    L   126_A      L   126_A    53.114     0    0.046   0.070    54.281    0.000    0.000
LGA    R   127_A      R   127_A    52.148     0    0.030   1.188    53.423    0.000    0.000
LGA    Q   128_A      Q   128_A    56.017     0    0.083   1.150    59.641    0.000    0.000
LGA    R   129_A      R   129_A    56.010     0    0.057   1.159    58.381    0.000    0.000
LGA    C   130_A      C   130_A    53.716     0    0.159   0.168    54.225    0.000    0.000
LGA    G   131_A      G   131_A    55.506     0    0.660   0.660    55.506    0.000    0.000
LGA    L   132_A      L   132_A    55.532     0    0.624   0.534    57.524    0.000    0.000
LGA    D   133_A      D   133_A    56.851     0    0.556   0.945    58.800    0.000    0.000
LGA    N   134_A      N   134_A    56.420     0    0.507   1.154    57.303    0.000    0.000
LGA    T   135_A      T   135_A    60.328     0    0.626   1.378    62.631    0.000    0.000
LGA    K   136_A      K   136_A    63.177     0    0.653   1.075    65.689    0.000    0.000
LGA    Q   137_A      Q   137_A    62.883     0    0.653   0.497    65.101    0.000    0.000
LGA    D   138_A      D   138_A    63.812     0    0.212   0.210    66.060    0.000    0.000
LGA    D   139_A      D   139_A    69.422     0    0.210   1.356    73.716    0.000    0.000
LGA    R   140_A      R   140_A    66.855     0    0.322   1.267    68.774    0.000    0.000
LGA    P   141_A      P   141_A    63.770     0    0.620   0.607    64.714    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):    23.274         23.251                 23.489           38.701   35.641

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    1.82    41.312    40.798     3.585

LGA_LOCAL      RMSD:   1.825  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  38.067  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  23.274  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.113095 * X  +   0.605309 * Y  +  -0.787916 * Z  +  -0.761242
  Y_new =  -0.658537 * X  +   0.639472 * Y  +   0.396743 * Z  +   4.903697
  Z_new =   0.744002 * X  +   0.474002 * Y  +   0.470939 * Z  + -33.648014 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.400718 -0.839040  0.788639   [DEG:  -80.2552  -48.0734   45.1857 ]
ZXZ: -2.037268  1.080441  1.003545   [DEG: -116.7269   61.9047   57.4989 ]
 
# END of job
