
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60       8_A - 67_A        4.90    22.71
  LCS_AVERAGE:     28.77

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      31_A - 51_A        2.00    22.41
  LCS_AVERAGE:     10.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     114_A - 131_A       0.96    25.06
  LCS_AVERAGE:      7.20

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    9      3    4    4    4    4    4    5    6    6    6    7   17   18   19   20   24   46   50   56   62 
LCS_GDT     S     2_A     S     2_A      4    4   25      3    4    4    4    4    5    5   11   13   14   17   20   24   28   31   47   53   56   61   68 
LCS_GDT     R     3_A     R     3_A      4    5   25      3    4    4    4    5    7   13   14   18   26   27   31   38   39   45   52   55   58   61   68 
LCS_GDT     I     4_A     I     4_A      4    5   25      3    4    4    4    5    9   12   17   19   23   26   30   32   34   37   38   52   56   59   59 
LCS_GDT     D     5_A     D     5_A      3    5   25      3    3    4    4    6    9   11   14   19   23   30   33   38   41   49   54   59   60   63   68 
LCS_GDT     E     6_A     E     6_A      3    5   25      0    3    4    7    9   12   13   17   20   27   30   33   38   41   49   54   59   60   63   68 
LCS_GDT     K     7_A     K     7_A      3    5   59      1    3    3    4    6    9   12   17   19   22   27   33   41   49   56   57   59   60   63   68 
LCS_GDT     S     8_A     S     8_A      3   16   60      1    3    4    9   10   12   14   19   26   33   44   49   52   55   56   57   59   60   63   68 
LCS_GDT     S     9_A     S     9_A     11   16   60      1    4    8   14   15   16   17   18   27   37   45   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    10_A     K    10_A     14   16   60      3   11   13   14   15   16   26   34   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     A    11_A     A    11_A     14   16   60      5   12   13   14   15   16   21   34   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    12_A     K    12_A     14   16   60      5   12   13   14   15   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     V    13_A     V    13_A     14   16   60      7   12   13   14   15   23   29   36   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     N    14_A     N    14_A     14   16   60      5   12   13   14   15   16   29   36   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     D    15_A     D    15_A     14   16   60      5   12   13   14   15   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     F    16_A     F    16_A     14   16   60      5   12   13   14   19   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     L    17_A     L    17_A     14   16   60      7   12   13   14   15   24   29   36   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     A    18_A     A    18_A     14   16   60      7   12   13   14   15   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    19_A     E    19_A     14   16   60      7   12   13   14   19   23   28   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     I    20_A     I    20_A     14   16   60      7   12   13   14   17   22   28   34   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     F    21_A     F    21_A     14   16   60      7   12   13   14   19   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    22_A     K    22_A     14   16   60      7   12   13   14   15   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    23_A     K    23_A     14   16   60      3    8   12   14   15   16   17   18   24   34   45   49   52   55   56   57   59   60   63   68 
LCS_GDT     I    24_A     I    24_A      9   16   60      3    4    8   12   15   16   17   17   24   35   45   49   52   55   56   57   59   60   63   68 
LCS_GDT     G    25_A     G    25_A      3   16   60      3    3    3    4    7   10   15   20   25   29   36   43   50   55   56   57   59   60   63   68 
LCS_GDT     S    26_A     S    26_A      4   20   60      3    4    5   14   19   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    27_A     K    27_A      4   20   60      3    4    6   15   19   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    28_A     E    28_A      4   20   60      3   12   15   16   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     N    29_A     N    29_A      4   20   60      3    4    4   12   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     T    30_A     T    30_A     15   20   60      3    6   15   16   19   25   28   37   41   45   47   49   52   55   56   57   59   60   63   65 
LCS_GDT     K    31_A     K    31_A     15   21   60      5   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    32_A     E    32_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     G    33_A     G    33_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     L    34_A     L    34_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     A    35_A     A    35_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    36_A     E    36_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     L    37_A     L    37_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     Y    38_A     Y    38_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    39_A     E    39_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     Y    40_A     Y    40_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    41_A     K    41_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    42_A     K    42_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    43_A     K    43_A     15   21   60     10   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     Y    44_A     Y    44_A     15   21   60     11   14   15   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     S    45_A     S    45_A      4   21   60      3    4    5    7   12   19   26   31   41   44   47   49   52   55   56   57   59   60   61   68 
LCS_GDT     D    46_A     D    46_A     10   21   60      5    8   10   11   14   19   26   31   36   43   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     A    47_A     A    47_A     10   21   60      7    8   10   12   16   23   27   31   40   44   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     D    48_A     D    48_A     10   21   60      7    8   10   17   21   25   27   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     I    49_A     I    49_A     10   21   60      7    8   10   17   21   25   27   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    50_A     E    50_A     10   21   60      7    8   10   17   21   25   27   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     P    51_A     P    51_A     10   21   60      7    8   12   17   21   25   28   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     F    52_A     F    52_A     10   20   60      7    8   12   17   21   25   28   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     L    53_A     L    53_A     10   20   60      7    8   10   17   21   25   27   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     K    54_A     K    54_A     10   14   60      3    6   13   17   21   26   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     N    55_A     N    55_A     10   14   60      3    5   10   11   18   24   29   37   41   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     S    56_A     S    56_A      6   20   60      3    5    9   11   12   16   18   25   31   43   47   49   52   54   56   57   59   60   63   68 
LCS_GDT     S    57_A     S    57_A     17   20   60      4   10   16   18   19   19   19   21   26   34   39   46   49   53   55   57   58   59   61   63 
LCS_GDT     Q    58_A     Q    58_A     17   20   60      5   12   16   18   19   25   28   37   41   45   47   49   52   55   56   57   59   60   63   67 
LCS_GDT     F    59_A     F    59_A     17   20   60      5   12   16   18   19   19   19   21   28   32   34   48   52   55   56   57   59   60   63   68 
LCS_GDT     F    60_A     F    60_A     17   20   60      5   14   16   18   19   25   27   37   41   45   47   49   52   55   56   57   59   60   63   67 
LCS_GDT     Q    61_A     Q    61_A     17   20   60      8   14   16   18   19   26   29   37   41   45   47   49   52   55   56   57   59   60   63   67 
LCS_GDT     S    62_A     S    62_A     17   20   60      8   14   16   18   19   19   23   29   38   41   46   49   52   55   56   57   59   60   63   68 
LCS_GDT     Y    63_A     Y    63_A     17   20   60      8   14   16   18   19   19   24   32   39   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     V    64_A     V    64_A     17   20   60      6   14   16   18   19   19   27   31   39   45   47   49   52   55   56   57   59   60   63   68 
LCS_GDT     E    65_A     E    65_A     17   20   60      8   14   16   18   19   19   19   21   23   27   31   35   42   50   56   56   59   60   63   64 
LCS_GDT     R    66_A     R    66_A     17   20   60      8   14   16   18   19   19   19   21   23   27   31   38   44   50   56   56   59   60   63   64 
LCS_GDT     G    67_A     G    67_A     17   20   60      8   14   16   18   19   19   19   21   28   36   45   49   52   54   56   57   59   60   63   65 
LCS_GDT     L    68_A     L    68_A     17   20   59      6   14   16   18   19   19   19   21   23   26   31   35   38   42   49   56   59   60   63   64 
LCS_GDT     R    69_A     R    69_A     17   20   28      5   14   16   18   19   19   19   21   23   26   29   35   38   40   44   50   54   58   60   63 
LCS_GDT     V    70_A     V    70_A     17   20   28      5   14   16   18   19   19   19   21   23   27   31   35   38   46   50   56   59   59   61   64 
LCS_GDT     I    71_A     I    71_A     17   20   28      8   14   16   18   19   19   19   21   23   26   31   35   38   42   48   56   59   60   63   64 
LCS_GDT     E    72_A     E    72_A     17   20   28      8   14   16   18   19   19   19   21   23   23   26   28   33   36   39   44   49   54   57   61 
LCS_GDT     M    73_A     M    73_A     17   20   28      5   14   16   18   19   19   19   21   23   23   27   30   38   38   41   45   51   54   58   63 
LCS_GDT     E    74_A     E    74_A     17   20   28      3   10   15   18   19   19   19   21   23   27   31   35   38   41   45   51   56   58   60   63 
LCS_GDT     R    75_A     R    75_A      9   20   28      3    4    8   16   19   19   19   21   23   26   29   35   38   40   44   50   54   57   60   63 
LCS_GDT     E    76_A     E    76_A      5   20   28      3    4    5    8   11   13   16   20   23   27   31   35   38   40   42   47   52   56   60   63 
LCS_GDT     G    77_A     G    77_A      5    6   28      3    4    5    8   11   13   15   19   21   27   31   35   38   43   50   52   57   59   61   63 
LCS_GDT     K    78_A     K    78_A      5    6   28      1    4    5    6   11   13   15   17   20   21   23   23   34   38   44   47   53   56   60   63 
LCS_GDT     G    79_A     G    79_A      5    6   28      0    4    5    8   11   13   15   19   20   21   29   33   37   40   44   46   53   56   60   62 
LCS_GDT     R    80_A     R    80_A      3    5   28      3    3    3    4    9   16   16   21   26   31   34   37   39   43   46   47   49   52   56   59 
LCS_GDT     I    81_A     I    81_A      3    5   28      3    4    5    6   14   16   17   23   29   33   36   38   40   46   54   55   56   57   58   61 
LCS_GDT     S    82_A     S    82_A      3    5   28      3    3    4    4    5    6    7   22   24   31   36   38   40   44   46   47   49   53   56   59 
LCS_GDT     T    83_A     T    83_A      3    5   28      3    3    3    5    5    7    8   12   15   17   18   22   23   25   26   39   44   48   51   52 
LCS_GDT     S    84_A     S    84_A      4    5   27      3    3    4    5    5    7    8    9   13   14   17   19   19   20   22   24   26   27   32   37 
LCS_GDT     T    85_A     T    85_A      4    5   14      1    3    4    5    5    7    8    9   10   12   12   13   14   14   16   19   20   20   23   25 
LCS_GDT     G    86_A     G    86_A      5    6   14      3    4    5    6    6    7    8    9   10   12   12   14   16   18   18   21   21   22   23   32 
LCS_GDT     I    87_A     I    87_A      5    6   14      3    4    5    6    6    7    8    9    9   11   12   13   13   15   16   19   20   21   23   25 
LCS_GDT     S    88_A     S    88_A      5    6   14      3    4    5    6    6    7    8    9    9   11   11   12   13   14   15   16   17   19   21   24 
LCS_GDT     P    89_A     P    89_A      5    6   14      3    4    5    6    6    7    8    9    9   10   10   11   13   14   14   16   17   18   19   22 
LCS_GDT     Q    90_A     Q    90_A      5    6   14      3    4    5    6    6    7    8    9    9   11   11   12   13   14   15   15   17   18   19   22 
LCS_GDT     M    91_A     M    91_A      4    6   14      3    4    4    5    6    7    8    9    9   11   11   12   13   14   15   15   17   18   19   22 
LCS_GDT     E    92_A     E    92_A      4    5   14      3    4    4    4    5    7    7    8    9   11   11   12   13   14   15   15   17   17   18   18 
LCS_GDT     V    93_A     V    93_A      4    6   14      3    4    4    4    6    7    8    9    9   11   11   12   13   14   15   15   17   17   18   18 
LCS_GDT     T    94_A     T    94_A      4    6   14      3    4    4    5    5    7    8    9    9   11   11   12   13   14   15   15   17   17   18   18 
LCS_GDT     C    95_A     C    95_A      4    6   14      3    4    5    6    6    7    7    8    9   11   11   12   13   14   15   15   17   17   18   18 
LCS_GDT     V    96_A     V    96_A      4    6   14      3    4    4    4    5    7    7    8    9   11   11   12   13   14   15   15   17   18   19   22 
LCS_GDT     P    97_A     P    97_A      4    6   13      3    3    4    4    5    7    7    8    9   11   11   12   13   13   15   15   17   18   19   22 
LCS_GDT     T    98_A     T    98_A      5    6   13      4    4    5    5    5    7    7    8    9   11   11   12   13   13   15   16   17   18   19   22 
LCS_GDT     P    99_A     P    99_A      5    5   13      4    4    5    5    5    6    7    8    9   11   11   12   13   13   14   16   17   18   19   22 
LCS_GDT     T   100_A     T   100_A      5    5   13      4    4    5    5    5    6    7    8    9   11   11   12   13   13   14   15   17   18   19   22 
LCS_GDT     S   101_A     S   101_A      5    7   13      4    4    5    6    7    7    7    8    9   11   11   13   13   25   26   29   33   43   44   44 
LCS_GDT     T   102_A     T   102_A      5    7   18      3    4    5    6    7    7    7    8   10   11   15   16   24   27   30   36   47   47   52   59 
LCS_GDT     V   103_A     V   103_A      4    7   28      3    4    5    7    8    8    8   10   16   26   28   36   39   41   44   48   51   55   59   68 
LCS_GDT     S   104_A     S   104_A      4    7   30      3    4    4    7    8    8    8   13   16   22   26   36   39   41   45   48   52   56   59   68 
LCS_GDT     S   105_A     S   105_A      4    7   32      3    4    5    7    8    8    8   10   17   22   26   33   39   41   45   48   52   56   59   68 
LCS_GDT     I   106_A     I   106_A      4    7   32      3    4    5    7    8    8   12   18   23   28   32   35   38   41   45   48   52   56   59   68 
LCS_GDT     G   107_A     G   107_A      3    7   32      1    3    4    6    8   12   16   23   29   33   36   38   40   44   46   48   52   56   59   68 
LCS_GDT     N   108_A     N   108_A      3    6   32      3    4    5    6    9   12   16   23   29   33   36   38   40   44   46   48   52   56   59   68 
LCS_GDT     T   109_A     T   109_A      3    6   32      3    3    4    6    9   11   16   23   29   33   36   38   40   44   46   48   52   56   59   68 
LCS_GDT     N   110_A     N   110_A      3    6   32      3    3    4    6    9   11   16   21   29   33   36   38   40   44   46   47   50   52   55   56 
LCS_GDT     G   111_A     G   111_A      3    6   32      3    3    4    7    9   11   16   21   28   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     E   112_A     E   112_A      4    6   32      3    4    4    7    9   11   15   19   28   31   36   38   40   44   46   48   52   56   59   60 
LCS_GDT     E   113_A     E   113_A      4   19   32      3    4    7   12   18   19   19   21   28   29   36   38   40   44   46   48   52   56   59   68 
LCS_GDT     V   114_A     V   114_A     18   19   32      4   13   16   18   18   19   19   21   28   29   32   36   39   41   45   48   52   56   59   67 
LCS_GDT     G   115_A     G   115_A     18   19   32      4   12   16   18   18   19   19   22   29   33   36   38   40   44   46   48   52   56   59   67 
LCS_GDT     P   116_A     P   116_A     18   19   32      7   13   16   18   18   19   19   23   29   33   36   38   40   44   46   48   50   56   59   60 
LCS_GDT     S   117_A     S   117_A     18   19   32      7   13   16   18   18   19   19   22   28   29   36   38   40   44   46   48   51   55   59   68 
LCS_GDT     V   118_A     V   118_A     18   19   32      6   13   16   18   18   19   19   23   29   33   36   38   40   44   46   48   52   56   59   68 
LCS_GDT     Y   119_A     Y   119_A     18   19   32      7   13   16   18   18   19   19   23   29   33   36   38   40   44   46   48   51   56   59   68 
LCS_GDT     L   120_A     L   120_A     18   19   32      7   13   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     E   121_A     E   121_A     18   19   32      8   13   16   18   18   19   19   23   28   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     R   122_A     R   122_A     18   19   32      8   13   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     L   123_A     L   123_A     18   19   32      8   13   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     K   124_A     K   124_A     18   19   32      8   13   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     I   125_A     I   125_A     18   19   32      8   13   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     L   126_A     L   126_A     18   19   32      8   13   16   18   18   19   19   22   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     R   127_A     R   127_A     18   19   32      8   13   16   18   18   19   19   22   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     Q   128_A     Q   128_A     18   19   32      8   13   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     R   129_A     R   129_A     18   19   32      5   12   16   18   18   19   19   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     C   130_A     C   130_A     18   19   32      5   12   16   18   18   19   19   22   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     G   131_A     G   131_A     18   19   32      5   12   16   18   18   19   19   22   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     L   132_A     L   132_A      4   19   32      0    4    4    5    9   12   18   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     D   133_A     D   133_A      4    5   32      3    4    4    5    9   12   16   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     N   134_A     N   134_A      4    5   32      3    4    4    5    6   11   16   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     T   135_A     T   135_A      4    5   32      3    4    4    4    5   14   18   23   29   33   36   38   40   44   46   47   49   52   53   55 
LCS_GDT     K   136_A     K   136_A      3    5   32      0    3    3    4    5    6   11   18   22   29   32   36   40   44   46   47   49   52   53   55 
LCS_GDT     Q   137_A     Q   137_A      4    5   32      3    3    4    4    5    5    6   10   10   10   11   12   13   15   16   16   29   31   35   39 
LCS_GDT     D   138_A     D   138_A      4    5   14      3    3    4    4    5    6    8   10   10   10   11   12   13   15   17   19   21   22   23   23 
LCS_GDT     D   139_A     D   139_A      4    5   14      3    3    4    4    5    6    8   10   10   10   11   12   13   13   14   15   21   22   23   23 
LCS_GDT     R   140_A     R   140_A      4    5   14      3    3    4    4    5    6    8   10   10   10   11   12   13   13   14   15   15   16   17   20 
LCS_GDT     P   141_A     P   141_A      3    5   14      3    3    3    3    5    5    8   10   10   10   11   12   13   13   14   15   15   16   19   20 
LCS_AVERAGE  LCS_A:  15.33  (   7.20   10.00   28.77 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     11     14     16     18     21     26     29     37     41     45     47     49     52     55     56     57     59     60     63     68 
GDT PERCENT_AT   7.80   9.93  11.35  12.77  14.89  18.44  20.57  26.24  29.08  31.91  33.33  34.75  36.88  39.01  39.72  40.43  41.84  42.55  44.68  48.23
GDT RMS_LOCAL    0.31   0.39   0.77   0.96   1.59   2.11   2.33   2.83   3.02   3.33   3.38   3.56   4.04   4.30   4.30   4.46   5.27   5.38   5.99   7.24
GDT RMS_ALL_AT  22.80  22.73  25.69  25.06  22.49  23.57  23.47  23.23  23.27  23.00  23.14  23.07  22.80  22.80  22.91  22.76  22.46  22.41  22.26  22.37

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  D    15_A      D    15_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:  Y    38_A      Y    38_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  D   133_A      D   133_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    30.853     0    0.223   0.301    31.817    0.000    0.000
LGA    S     2_A      S     2_A    30.033     0    0.081   0.680    30.191    0.000    0.000
LGA    R     3_A      R     3_A    28.665     0    0.625   1.536    35.649    0.000    0.000
LGA    I     4_A      I     4_A    28.797     0    0.615   1.258    31.994    0.000    0.000
LGA    D     5_A      D     5_A    22.267     0    0.619   1.354    25.036    0.000    0.000
LGA    E     6_A      E     6_A    20.517     0    0.638   0.708    25.209    0.000    0.000
LGA    K     7_A      K     7_A    17.797     0    0.622   0.907    26.065    0.000    0.000
LGA    S     8_A      S     8_A    12.407     0    0.641   0.753    14.039    0.119    0.079
LGA    S     9_A      S     9_A     9.790     0    0.625   0.947    11.595    5.238    3.492
LGA    K    10_A      K    10_A     6.320     0    0.508   0.906     9.460   16.786   10.317
LGA    A    11_A      A    11_A     5.169     0    0.040   0.051     5.428   31.667   30.571
LGA    K    12_A      K    12_A     3.426     0    0.046   1.364    10.404   46.667   30.847
LGA    V    13_A      V    13_A     4.652     0    0.050   1.326     7.420   35.714   31.088
LGA    N    14_A      N    14_A     4.586     0    0.029   1.382     8.380   37.381   28.631
LGA    D    15_A      D    15_A     3.092     0    0.023   0.843     4.176   53.571   53.929
LGA    F    16_A      F    16_A     3.626     0    0.045   1.088     4.795   46.786   47.316
LGA    L    17_A      L    17_A     4.176     0    0.044   0.106     7.176   41.786   29.762
LGA    A    18_A      A    18_A     3.332     0    0.033   0.035     4.215   53.571   50.286
LGA    E    19_A      E    19_A     3.675     0    0.023   1.096     8.044   45.238   29.471
LGA    I    20_A      I    20_A     4.844     0    0.030   0.647     8.980   35.833   24.345
LGA    F    21_A      F    21_A     3.689     0    0.034   1.120     9.495   48.452   27.576
LGA    K    22_A      K    22_A     2.943     0    0.080   0.775     8.137   51.905   36.825
LGA    K    23_A      K    23_A     6.583     0    0.509   1.513    12.937   17.024    7.937
LGA    I    24_A      I    24_A     7.923     0    0.599   0.850    10.112    8.690    5.595
LGA    G    25_A      G    25_A     8.391     0    0.644   0.644     8.391   12.024   12.024
LGA    S    26_A      S    26_A     3.857     0    0.623   0.796     6.835   39.524   32.937
LGA    K    27_A      K    27_A     3.821     0    0.126   0.664     6.520   54.167   38.360
LGA    E    28_A      E    28_A     1.990     0    0.108   0.193     6.150   75.238   53.439
LGA    N    29_A      N    29_A     2.339     0    0.171   1.209     7.234   73.214   49.226
LGA    T    30_A      T    30_A     4.023     0    0.555   1.280     8.799   50.357   32.993
LGA    K    31_A      K    31_A     2.172     0    0.104   0.733     4.543   70.952   61.429
LGA    E    32_A      E    32_A     0.660     0    0.064   0.324     3.646   95.238   75.132
LGA    G    33_A      G    33_A     1.539     0    0.053   0.053     1.539   75.000   75.000
LGA    L    34_A      L    34_A     2.031     0    0.042   0.333     4.251   70.833   58.095
LGA    A    35_A      A    35_A     1.197     0    0.041   0.045     1.207   83.690   83.238
LGA    E    36_A      E    36_A     0.032     0    0.037   1.077     4.561  100.000   77.354
LGA    L    37_A      L    37_A     1.135     0    0.021   0.092     2.371   83.690   75.238
LGA    Y    38_A      Y    38_A     1.940     0    0.122   1.475    12.331   75.000   33.730
LGA    E    39_A      E    39_A     1.400     0    0.063   1.468     6.927   81.429   58.254
LGA    Y    40_A      Y    40_A     0.451     0    0.032   0.282     1.152   92.857   91.349
LGA    K    41_A      K    41_A     1.292     0    0.052   0.913     6.446   79.405   57.037
LGA    K    42_A      K    42_A     2.233     0    0.045   0.651     2.949   64.881   64.127
LGA    K    43_A      K    43_A     2.305     0    0.052   1.240     5.838   68.810   53.016
LGA    Y    44_A      Y    44_A     0.957     0    0.569   0.833     6.645   85.952   55.913
LGA    S    45_A      S    45_A     4.559     0    0.498   0.775     6.967   38.929   32.540
LGA    D    46_A      D    46_A     5.312     0    0.380   0.918     6.907   27.500   23.452
LGA    A    47_A      A    47_A     4.729     0    0.086   0.110     5.108   32.976   31.619
LGA    D    48_A      D    48_A     3.705     0    0.073   1.075     5.288   43.452   39.702
LGA    I    49_A      I    49_A     3.967     0    0.039   1.389     6.724   43.333   37.321
LGA    E    50_A      E    50_A     4.038     0    0.044   1.406    10.034   40.238   25.450
LGA    P    51_A      P    51_A     2.984     0    0.054   0.363     3.322   55.357   57.211
LGA    F    52_A      F    52_A     3.134     0    0.094   1.121     9.197   50.000   28.701
LGA    L    53_A      L    53_A     3.616     0    0.042   1.293     7.415   50.119   37.798
LGA    K    54_A      K    54_A     0.996     0    0.083   1.055     6.581   73.333   54.709
LGA    N    55_A      N    55_A     2.664     0    0.042   1.087     6.198   49.881   47.738
LGA    S    56_A      S    56_A     5.787     0    0.570   0.723     8.041   22.262   18.492
LGA    S    57_A      S    57_A     7.010     0    0.613   0.588    11.014   26.190   18.254
LGA    Q    58_A      Q    58_A     3.865     0    0.060   1.020     7.417   34.405   25.079
LGA    F    59_A      F    59_A     7.823     0    0.040   1.449    13.678   12.738    4.675
LGA    F    60_A      F    60_A     3.868     0    0.136   0.286     7.015   53.810   33.290
LGA    Q    61_A      Q    61_A     3.268     0    0.055   1.011     7.107   40.595   34.603
LGA    S    62_A      S    62_A     8.386     0    0.050   0.054    10.161    7.857    5.317
LGA    Y    63_A      Y    63_A     6.627     0    0.045   1.360     7.341   13.452   22.817
LGA    V    64_A      V    64_A     6.244     0    0.035   1.010    10.124   11.548   13.197
LGA    E    65_A      E    65_A    12.452     0    0.027   1.352    17.292    0.119    0.053
LGA    R    66_A      R    66_A    14.040     0    0.040   1.309    18.927    0.000    0.000
LGA    G    67_A      G    67_A    10.687     0    0.042   0.042    12.898    0.000    0.000
LGA    L    68_A      L    68_A    14.960     0    0.054   1.434    18.361    0.000    0.000
LGA    R    69_A      R    69_A    20.128     0    0.052   1.486    24.032    0.000    0.000
LGA    V    70_A      V    70_A    18.199     0    0.031   1.078    19.036    0.000    0.000
LGA    I    71_A      I    71_A    17.447     0    0.032   1.079    20.884    0.000    0.000
LGA    E    72_A      E    72_A    24.430     0    0.050   0.899    30.704    0.000    0.000
LGA    M    73_A      M    73_A    25.950     0    0.054   0.528    27.128    0.000    0.000
LGA    E    74_A      E    74_A    22.923     0    0.532   0.426    23.347    0.000    0.000
LGA    R    75_A      R    75_A    23.755     0    0.050   1.452    29.664    0.000    0.000
LGA    E    76_A      E    76_A    26.255     0    0.637   1.382    31.747    0.000    0.000
LGA    G    77_A      G    77_A    22.531     0    0.619   0.619    23.408    0.000    0.000
LGA    K    78_A      K    78_A    26.126     0    0.419   0.911    29.940    0.000    0.000
LGA    G    79_A      G    79_A    24.998     0    0.717   0.717    25.060    0.000    0.000
LGA    R    80_A      R    80_A    22.700     0    0.606   1.275    31.680    0.000    0.000
LGA    I    81_A      I    81_A    17.819     0    0.619   1.269    20.014    0.000    0.000
LGA    S    82_A      S    82_A    20.632     0    0.128   0.752    23.196    0.000    0.000
LGA    T    83_A      T    83_A    20.835     0    0.507   0.474    24.677    0.000    0.000
LGA    S    84_A      S    84_A    24.762     0    0.557   0.519    25.805    0.000    0.000
LGA    T    85_A      T    85_A    22.755     0    0.553   1.344    25.959    0.000    0.000
LGA    G    86_A      G    86_A    19.075     0    0.505   0.505    20.762    0.000    0.000
LGA    I    87_A      I    87_A    21.929     0    0.098   0.984    25.566    0.000    0.000
LGA    S    88_A      S    88_A    23.147     0    0.027   0.117    26.258    0.000    0.000
LGA    P    89_A      P    89_A    27.970     0    0.659   0.641    30.234    0.000    0.000
LGA    Q    90_A      Q    90_A    30.775     0    0.120   0.852    33.988    0.000    0.000
LGA    M    91_A      M    91_A    31.220     0    0.525   1.231    35.576    0.000    0.000
LGA    E    92_A      E    92_A    30.917     0    0.526   1.256    32.861    0.000    0.000
LGA    V    93_A      V    93_A    30.505     0    0.231   1.065    34.236    0.000    0.000
LGA    T    94_A      T    94_A    30.625     0    0.077   1.074    32.853    0.000    0.000
LGA    C    95_A      C    95_A    36.139     0    0.624   0.626    38.672    0.000    0.000
LGA    V    96_A      V    96_A    34.389     0    0.152   1.123    35.854    0.000    0.000
LGA    P    97_A      P    97_A    34.458     0    0.186   0.321    34.462    0.000    0.000
LGA    T    98_A      T    98_A    35.609     0    0.597   1.277    38.670    0.000    0.000
LGA    P    99_A      P    99_A    34.789     0    0.062   0.369    38.507    0.000    0.000
LGA    T   100_A      T   100_A    32.375     0    0.020   1.082    33.022    0.000    0.000
LGA    S   101_A      S   101_A    33.146     0    0.605   0.683    34.508    0.000    0.000
LGA    T   102_A      T   102_A    28.571     0    0.039   1.237    30.538    0.000    0.000
LGA    V   103_A      V   103_A    30.430     0    0.091   0.112    32.975    0.000    0.000
LGA    S   104_A      S   104_A    32.324     0    0.041   0.613    34.823    0.000    0.000
LGA    S   105_A      S   105_A    30.707     0    0.127   0.153    32.895    0.000    0.000
LGA    I   106_A      I   106_A    32.372     0    0.133   0.655    36.048    0.000    0.000
LGA    G   107_A      G   107_A    29.937     0    0.410   0.410    31.220    0.000    0.000
LGA    N   108_A      N   108_A    30.755     0    0.440   0.819    32.939    0.000    0.000
LGA    T   109_A      T   109_A    29.348     0    0.192   1.081    32.813    0.000    0.000
LGA    N   110_A      N   110_A    31.961     0    0.320   0.897    35.145    0.000    0.000
LGA    G   111_A      G   111_A    30.705     0    0.599   0.599    31.408    0.000    0.000
LGA    E   112_A      E   112_A    24.259     0    0.420   0.992    26.570    0.000    0.000
LGA    E   113_A      E   113_A    22.926     0    0.346   1.244    28.375    0.000    0.000
LGA    V   114_A      V   114_A    20.161     0    0.035   1.301    21.604    0.000    0.000
LGA    G   115_A      G   115_A    17.579     0    0.082   0.082    18.679    0.000    0.000
LGA    P   116_A      P   116_A    22.050     0    0.077   0.113    24.753    0.000    0.000
LGA    S   117_A      S   117_A    22.274     0    0.071   0.661    22.390    0.000    0.000
LGA    V   118_A      V   118_A    16.473     0    0.050   0.165    18.094    0.000    0.000
LGA    Y   119_A      Y   119_A    17.210     0    0.032   0.976    23.230    0.000    0.000
LGA    L   120_A      L   120_A    23.915     0    0.024   1.174    29.361    0.000    0.000
LGA    E   121_A      E   121_A    23.538     0    0.059   0.973    26.556    0.000    0.000
LGA    R   122_A      R   122_A    19.149     0    0.037   1.495    20.804    0.000    0.000
LGA    L   123_A      L   123_A    21.169     0    0.032   0.198    24.180    0.000    0.000
LGA    K   124_A      K   124_A    27.616     0    0.027   1.410    33.994    0.000    0.000
LGA    I   125_A      I   125_A    27.245     0    0.059   1.611    28.232    0.000    0.000
LGA    L   126_A      L   126_A    24.147     0    0.098   1.464    26.939    0.000    0.000
LGA    R   127_A      R   127_A    28.226     0    0.056   1.268    34.722    0.000    0.000
LGA    Q   128_A      Q   128_A    34.028     0    0.083   1.223    39.060    0.000    0.000
LGA    R   129_A      R   129_A    32.619     0    0.027   1.254    36.341    0.000    0.000
LGA    C   130_A      C   130_A    30.334     0    0.254   0.324    32.745    0.000    0.000
LGA    G   131_A      G   131_A    36.273     0    0.551   0.551    38.714    0.000    0.000
LGA    L   132_A      L   132_A    40.616     0    0.563   0.795    41.485    0.000    0.000
LGA    D   133_A      D   133_A    38.895     0    0.637   1.522    41.438    0.000    0.000
LGA    N   134_A      N   134_A    41.216     0    0.432   1.183    43.102    0.000    0.000
LGA    T   135_A      T   135_A    46.189     0    0.597   1.046    48.372    0.000    0.000
LGA    K   136_A      K   136_A    47.834     0    0.581   1.108    48.969    0.000    0.000
LGA    Q   137_A      Q   137_A    48.544     0    0.615   1.172    50.190    0.000    0.000
LGA    D   138_A      D   138_A    52.774     0    0.640   1.236    54.739    0.000    0.000
LGA    D   139_A      D   139_A    57.765     0    0.494   1.485    61.275    0.000    0.000
LGA    R   140_A      R   140_A    55.121     0    0.112   1.608    59.059    0.000    0.000
LGA    P   141_A      P   141_A    50.846     0    0.346   0.695    53.792    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    17.796         17.673                 18.302           19.410   15.447

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     37    2.83    22.340    19.889     1.264

LGA_LOCAL      RMSD:   2.828  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.232  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  17.796  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.719865 * X  +   0.425859 * Y  +  -0.548123 * Z  +  24.497135
  Y_new =   0.345796 * X  +   0.464676 * Y  +   0.815170 * Z  + -46.856915
  Z_new =   0.601847 * X  +  -0.776350 * Y  +   0.187244 * Z  + -80.422699 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.447814 -0.645812 -1.334131   [DEG:   25.6579  -37.0023  -76.4401 ]
ZXZ: -2.549629  1.382441  2.482141   [DEG: -146.0830   79.2080  142.2162 ]
 
# END of job
