
#######################################################
#                                                     #
#                        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:    43       1_A - 43_A        4.99    22.38
  LONGEST_CONTINUOUS_SEGMENT:    43       2_A - 44_A        4.92    22.59
  LCS_AVERAGE:     22.49

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25       3_A - 27_A        1.93    27.21
  LCS_AVERAGE:     11.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17       6_A - 22_A        1.00    26.45
  LONGEST_CONTINUOUS_SEGMENT:    17     115_A - 131_A       0.98    19.18
  LCS_AVERAGE:      7.56

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    3   43      0    3    3    3    4    7    8   13   17   21   36   37   40   46   55   61   63   66   67   68 
LCS_GDT     S     2_A     S     2_A      4    4   43      4    4    8   14   18   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     R     3_A     R     3_A      4   25   43      4    4    4    4   15   19   23   27   31   34   37   39   44   49   55   61   63   66   67   68 
LCS_GDT     I     4_A     I     4_A     15   25   43      4   10   12   19   20   22   24   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     D     5_A     D     5_A     16   25   43      5   11   16   19   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     E     6_A     E     6_A     17   25   43      7   13   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     K     7_A     K     7_A     17   25   43      5   14   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     S     8_A     S     8_A     17   25   43      5   14   18   20   22   22   25   28   30   32   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     S     9_A     S     9_A     17   25   43      5   14   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     K    10_A     K    10_A     17   25   43      8   14   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     A    11_A     A    11_A     17   25   43      8   14   18   20   22   22   25   28   30   32   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     K    12_A     K    12_A     17   25   43      8   14   18   20   22   22   25   28   30   32   37   39   43   47   55   61   63   66   67   68 
LCS_GDT     V    13_A     V    13_A     17   25   43      8   14   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     N    14_A     N    14_A     17   25   43      8   14   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     D    15_A     D    15_A     17   25   43      8   14   18   20   22   22   25   28   31   33   37   39   43   47   54   61   63   66   67   68 
LCS_GDT     F    16_A     F    16_A     17   25   43      8   14   18   20   22   22   25   28   30   32   37   39   41   46   52   61   63   66   67   68 
LCS_GDT     L    17_A     L    17_A     17   25   43      8   14   18   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     A    18_A     A    18_A     17   25   43      8   14   18   20   22   23   25   28   31   33   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     E    19_A     E    19_A     17   25   43      8   14   18   20   22   22   25   28   31   33   37   39   41   46   47   57   59   66   67   68 
LCS_GDT     I    20_A     I    20_A     17   25   43      8   13   18   20   22   22   25   28   31   33   37   39   42   50   56   61   63   66   67   68 
LCS_GDT     F    21_A     F    21_A     17   25   43      8   13   18   20   22   23   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     K    22_A     K    22_A     17   25   43      8   13   18   20   22   22   25   28   30   33   37   39   43   47   56   61   63   66   67   68 
LCS_GDT     K    23_A     K    23_A     16   25   43      8   13   16   20   22   22   25   28   30   32   37   39   40   46   47   57   63   66   67   68 
LCS_GDT     I    24_A     I    24_A     16   25   43      8   13   16   20   22   22   25   28   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     G    25_A     G    25_A     16   25   43      6   13   16   20   22   22   24   28   30   32   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     S    26_A     S    26_A      6   25   43      4    6    8   11   14   21   24   25   27   32   37   39   43   50   56   61   63   66   67   68 
LCS_GDT     K    27_A     K    27_A      6   25   43      4   14   18   19   22   22   25   28   30   32   37   39   43   50   56   61   63   66   67   68 
LCS_GDT     E    28_A     E    28_A      6   16   43      4    6   12   14   16   17   18   26   29   33   37   39   43   47   56   61   63   66   67   68 
LCS_GDT     N    29_A     N    29_A      6   17   43      4    6    8   11   21   22   25   27   31   33   37   39   43   47   56   61   63   66   67   68 
LCS_GDT     T    30_A     T    30_A     14   17   43      4   12   14   16   16   18   19   21   27   31   37   39   43   47   56   61   63   66   67   68 
LCS_GDT     K    31_A     K    31_A     14   17   43     10   12   14   16   16   18   19   21   27   31   37   39   41   46   56   61   63   66   67   68 
LCS_GDT     E    32_A     E    32_A     14   17   43     10   12   14   16   16   18   19   20   24   25   31   34   40   43   45   48   50   52   67   68 
LCS_GDT     G    33_A     G    33_A     14   17   43     10   12   14   16   16   18   19   20   27   31   37   39   43   50   56   61   63   66   67   68 
LCS_GDT     L    34_A     L    34_A     14   17   43     10   12   14   16   16   18   19   21   27   31   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     A    35_A     A    35_A     14   17   43     10   12   14   16   16   18   19   21   27   31   37   39   43   50   56   61   63   66   67   68 
LCS_GDT     E    36_A     E    36_A     14   17   43     10   12   14   16   16   18   19   21   27   31   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     L    37_A     L    37_A     14   17   43     10   12   14   16   16   18   21   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     Y    38_A     Y    38_A     14   17   43     10   12   14   16   16   18   19   23   29   33   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     E    39_A     E    39_A     14   17   43     10   12   14   16   16   18   19   21   27   31   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     Y    40_A     Y    40_A     14   17   43     10   12   14   16   16   18   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     K    41_A     K    41_A     14   17   43      6   12   16   19   19   20   21   23   28   32   36   39   43   50   55   61   63   66   67   68 
LCS_GDT     K    42_A     K    42_A     14   17   43      4    7   14   16   17   18   19   21   24   25   27   34   37   39   42   46   53   55   66   68 
LCS_GDT     K    43_A     K    43_A     14   17   43      4   11   16   19   19   20   21   23   27   32   37   39   43   50   56   61   63   66   67   68 
LCS_GDT     Y    44_A     Y    44_A     12   17   43      4    7   12   16   16   18   19   21   24   28   31   33   38   39   41   48   52   55   57   59 
LCS_GDT     S    45_A     S    45_A     10   17   33      4    6   12   16   16   18   19   20   24   25   27   30   33   36   37   41   43   45   47   48 
LCS_GDT     D    46_A     D    46_A      5   17   30      4    5    6    7    8   17   18   20   24   25   27   31   33   36   37   41   45   46   48   52 
LCS_GDT     A    47_A     A    47_A      5    7   30      4    5    6   12   16   18   19   21   24   25   27   31   33   36   37   37   41   44   46   48 
LCS_GDT     D    48_A     D    48_A      5    7   30      4    5    6   12   15   18   19   20   24   25   26   27   30   36   37   37   39   41   44   48 
LCS_GDT     I    49_A     I    49_A      5    7   30      4    5    6    7    8    9   10   13   15   23   25   26   30   32   35   37   42   48   52   56 
LCS_GDT     E    50_A     E    50_A      5    7   30      3    5    6    7    8    9    9   11   13   16   20   22   26   31   35   37   45   48   52   57 
LCS_GDT     P    51_A     P    51_A      4    7   31      3    4    5    6    8    9   11   13   15   19   24   26   30   32   37   47   54   55   56   58 
LCS_GDT     F    52_A     F    52_A      6    7   32      5    5    6    6    7    9    9   12   15   17   20   28   30   35   41   47   54   55   56   58 
LCS_GDT     L    53_A     L    53_A      6    7   32      5    5    6    6    7    8   11   13   16   21   27   31   37   43   46   48   54   55   56   58 
LCS_GDT     K    54_A     K    54_A      6    7   32      5    5    6    7   13   16   21   25   31   33   37   39   40   43   46   48   54   55   56   58 
LCS_GDT     N    55_A     N    55_A      6    7   32      5    5    6    6    7    8   11   15   23   30   37   39   40   43   47   48   54   55   56   58 
LCS_GDT     S    56_A     S    56_A      6   22   32      5    5    6   10   15   17   22   25   31   32   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     S    57_A     S    57_A     15   24   32      4    9   15   22   22   23   25   27   31   33   34   35   40   42   46   48   51   53   54   58 
LCS_GDT     Q    58_A     Q    58_A     15   24   32      4   10   15   22   22   23   25   27   31   33   34   35   40   42   46   48   51   53   54   58 
LCS_GDT     F    59_A     F    59_A     15   24   32      4    9   15   22   22   23   25   27   31   33   34   35   40   42   46   48   51   53   54   58 
LCS_GDT     F    60_A     F    60_A     15   24   32      4   11   17   22   22   23   25   27   31   33   34   38   40   43   46   48   51   53   55   58 
LCS_GDT     Q    61_A     Q    61_A     15   24   32      4   11   17   22   22   23   25   27   31   33   34   38   40   42   46   48   51   53   55   58 
LCS_GDT     S    62_A     S    62_A     16   24   32      6   12   17   22   22   23   25   27   31   33   34   38   40   43   46   48   51   53   55   58 
LCS_GDT     Y    63_A     Y    63_A     16   24   32      6   12   17   22   22   23   25   27   31   33   37   39   40   43   46   48   54   55   56   58 
LCS_GDT     V    64_A     V    64_A     16   24   32      6   12   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     E    65_A     E    65_A     16   24   32      6   12   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     R    66_A     R    66_A     16   24   32      6   12   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     G    67_A     G    67_A     16   24   32      6   12   17   22   22   23   25   28   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     L    68_A     L    68_A     16   24   32      6   12   17   22   22   23   25   28   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     R    69_A     R    69_A     16   24   32      4   12   17   22   22   23   25   28   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     V    70_A     V    70_A     16   24   32      4   12   17   22   22   23   25   28   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     I    71_A     I    71_A     16   24   32      4   12   17   22   22   23   25   28   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     E    72_A     E    72_A     16   24   32      6   12   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     M    73_A     M    73_A     16   24   32      6   11   17   22   22   23   25   28   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     E    74_A     E    74_A     16   24   32      6   11   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     R    75_A     R    75_A     16   24   32      6   11   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     E    76_A     E    76_A     16   24   32      6   12   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     G    77_A     G    77_A     16   24   32      6   11   16   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     K    78_A     K    78_A      5   24   32      3    4    5    6   19   21   23   24   27   32   34   39   40   43   46   48   54   55   56   58 
LCS_GDT     G    79_A     G    79_A      5   24   32      3    9   17   22   22   23   25   27   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     R    80_A     R    80_A      5   24   32      3    4    5    8   15   22   24   26   31   33   37   39   40   46   47   48   54   55   56   58 
LCS_GDT     I    81_A     I    81_A      5    8   32      3    4    5    6    8   13   21   25   26   28   32   35   38   42   46   48   54   55   56   58 
LCS_GDT     S    82_A     S    82_A      5    8   32      3    4    5    6    8    9   12   14   21   24   29   30   31   36   41   46   48   53   56   57 
LCS_GDT     T    83_A     T    83_A      4    8   32      3    4    5    6    8    9   11   12   13   15   19   24   26   29   33   35   37   40   47   52 
LCS_GDT     S    84_A     S    84_A      4    8   31      3    4    5    6    8    9   11   11   13   15   15   17   19   22   24   26   28   31   36   40 
LCS_GDT     T    85_A     T    85_A      4    8   30      3    4    4    5    6    9   11   11   13   15   15   17   18   22   24   24   28   31   36   40 
LCS_GDT     G    86_A     G    86_A      4    6   19      3    4    4    5    5    6    6    9   10   12   14   17   18   21   23   24   25   27   30   37 
LCS_GDT     I    87_A     I    87_A      4    6   18      3    4    4    5    5    6    7    9   10   13   14   16   17   20   23   24   25   27   29   30 
LCS_GDT     S    88_A     S    88_A      4    4   18      3    4    4    4    4    6    7    9   10   13   14   17   18   20   23   24   25   27   29   30 
LCS_GDT     P    89_A     P    89_A      4    5   18      3    4    4    4    4    6    7    9   10   10   14   16   17   18   19   22   25   27   29   33 
LCS_GDT     Q    90_A     Q    90_A      4    5   18      3    4    4    4    4    6    7    9   10   13   14   16   17   18   19   19   21   25   26   30 
LCS_GDT     M    91_A     M    91_A      4    5   18      3    3    4    4    4    7    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     E    92_A     E    92_A      4    5   18      3    3    4    4    4    7    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     V    93_A     V    93_A      4    5   18      2    3    4    4    4    7    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     T    94_A     T    94_A      4    4   18      3    4    4    4    4    7    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     C    95_A     C    95_A      4    4   18      3    4    4    4    4    6    7    9   10   10   11   12   15   18   19   19   20   22   23   24 
LCS_GDT     V    96_A     V    96_A      4    5   18      3    4    4    4    4    6    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     P    97_A     P    97_A      4    5   18      3    4    4    5    5    6    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     T    98_A     T    98_A      4    5   18      3    4    4    5    5    7    8    9   10   13   14   16   17   18   19   19   20   22   23   24 
LCS_GDT     P    99_A     P    99_A      4    5   18      3    4    4    5    5    7    8    9   11   13   14   16   17   18   19   19   20   22   24   24 
LCS_GDT     T   100_A     T   100_A      4    5   18      3    4    5    5    6    8    8    9   11   13   14   16   17   20   21   24   25   25   26   26 
LCS_GDT     S   101_A     S   101_A      3    4   15      3    3    3    4    4    6    7    9   10   12   14   17   19   21   23   24   25   27   29   30 
LCS_GDT     T   102_A     T   102_A      3    4   13      3    3    3    4    5    6    7    9    9   10   13   17   19   21   23   24   25   27   29   30 
LCS_GDT     V   103_A     V   103_A      3    5   13      3    4    4    4    5    6    7    7    9   10   12   15   19   21   23   24   25   27   29   30 
LCS_GDT     S   104_A     S   104_A      4    5   15      3    4    4    4    5    6    6    8    9   10   12   15   19   21   23   24   25   27   29   30 
LCS_GDT     S   105_A     S   105_A      4    5   16      1    4    4    4    5    6    6    8    9   11   13   17   19   21   23   24   25   27   29   33 
LCS_GDT     I   106_A     I   106_A      4    5   16      3    3    4    4    5    6    8    9   10   12   16   19   20   24   24   24   25   27   29   33 
LCS_GDT     G   107_A     G   107_A      4    8   26      3    3    4    4    7    8   10   13   15   18   21   22   23   24   26   33   41   43   47   48 
LCS_GDT     N   108_A     N   108_A      3    8   28      3    3    3    4    6    8   10   13   15   18   22   23   25   26   30   36   41   43   47   48 
LCS_GDT     T   109_A     T   109_A      4    8   28      0    3    5    6    7    8   10   13   15   20   22   23   25   25   30   36   41   43   47   48 
LCS_GDT     N   110_A     N   110_A      4    8   28      3    4    5    6    7    9   12   14   16   21   22   23   25   25   26   36   41   43   47   48 
LCS_GDT     G   111_A     G   111_A      4    8   28      3    4    5    6    7   11   14   16   19   21   23   25   26   30   35   38   41   47   49   55 
LCS_GDT     E   112_A     E   112_A      4    8   28      3    4    5    6    7   11   14   16   19   22   24   25   32   41   56   61   63   66   67   68 
LCS_GDT     E   113_A     E   113_A      4    8   28      3    4    5    6    8   11   17   20   23   29   33   37   44   50   56   61   63   66   67   68 
LCS_GDT     V   114_A     V   114_A     15   19   28      4    5   10   16   18   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     G   115_A     G   115_A     17   19   28      3    5   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     P   116_A     P   116_A     17   19   28      4   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     S   117_A     S   117_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     V   118_A     V   118_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     Y   119_A     Y   119_A     17   19   28      5   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     L   120_A     L   120_A     17   19   28      6   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     E   121_A     E   121_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     R   122_A     R   122_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     L   123_A     L   123_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     K   124_A     K   124_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     I   125_A     I   125_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     L   126_A     L   126_A     17   19   28      8   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     R   127_A     R   127_A     17   19   28      6   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     Q   128_A     Q   128_A     17   19   28      5   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     R   129_A     R   129_A     17   19   28      5   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     C   130_A     C   130_A     17   19   28      5   12   16   19   19   20   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     G   131_A     G   131_A     17   19   28      5   10   13   19   19   20   22   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     L   132_A     L   132_A      5   19   28      3    4    5   11   14   18   23   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     D   133_A     D   133_A      5   19   28      3    4    5    9   11   16   20   27   31   34   37   39   44   50   56   61   63   66   67   68 
LCS_GDT     N   134_A     N   134_A      5    6   28      3    4    5    7   10   16   20   20   21   23   24   25   44   49   55   61   63   66   67   68 
LCS_GDT     T   135_A     T   135_A      5    6   28      3    4    5    5    5    6    9   17   21   25   27   29   43   47   56   61   63   66   67   68 
LCS_GDT     K   136_A     K   136_A      4    6   28      3    3    4    5    5    6    8   15   21   23   24   27   31   34   40   41   62   66   67   68 
LCS_GDT     Q   137_A     Q   137_A      4    5   27      3    3    4    5    5    6    7    8    8   18   21   25   28   34   35   35   49   58   61   64 
LCS_GDT     D   138_A     D   138_A      4    5   26      3    3    4    5    5    6    7    8    8    9   10   26   28   34   35   35   37   40   43   50 
LCS_GDT     D   139_A     D   139_A      4    5   11      3    3    4    5    5    6    7    7    7    8    8    8    9    9    9   10   11   11   12   43 
LCS_GDT     R   140_A     R   140_A      4    5   10      3    3    4    5    5    5    6    6    7    8    8    8    8    8    9   10   10   11   11   11 
LCS_GDT     P   141_A     P   141_A      3    3   10      3    3    3    3    5    5    7    7    7    8    8    8   32   37   42   45   49   52   52   64 
LCS_AVERAGE  LCS_A:  13.76  (   7.56   11.24   22.49 )

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     10     14     18     22     22     23     25     28     31     34     37     39     44     50     56     61     63     66     67     68 
GDT PERCENT_AT   7.09   9.93  12.77  15.60  15.60  16.31  17.73  19.86  21.99  24.11  26.24  27.66  31.21  35.46  39.72  43.26  44.68  46.81  47.52  48.23
GDT RMS_LOCAL    0.26   0.70   1.01   1.35   1.35   1.45   1.68   2.44   2.97   3.25   3.57   3.74   4.35   4.91   5.48   5.60   5.73   5.93   6.02   6.11
GDT RMS_ALL_AT  30.81  25.88  26.35  25.36  25.36  25.13  25.40  28.45  19.57  19.61  19.63  19.57  19.82  20.21  20.74  20.59  20.64  20.68  20.76  20.73

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  D    48_A      D    48_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   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  D   138_A      D   138_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A     6.387     0    0.612   0.600     8.333   13.095   13.905
LGA    S     2_A      S     2_A     6.683     0    0.629   0.760     9.480   23.333   16.587
LGA    R     3_A      R     3_A     3.833     0    0.079   1.577    13.234   42.024   21.299
LGA    I     4_A      I     4_A     4.855     0    0.039   0.088     9.760   36.190   21.071
LGA    D     5_A      D     5_A     2.500     0    0.139   0.254     3.561   65.000   59.405
LGA    E     6_A      E     6_A     0.752     0    0.036   0.876     3.548   88.214   72.116
LGA    K     7_A      K     7_A     1.728     0    0.031   0.839     7.461   79.286   52.275
LGA    S     8_A      S     8_A     1.458     0    0.033   0.044     2.120   81.429   75.873
LGA    S     9_A      S     9_A     1.257     0    0.025   0.556     2.544   81.548   77.460
LGA    K    10_A      K    10_A     1.774     0    0.123   0.590     3.785   79.286   65.503
LGA    A    11_A      A    11_A     0.794     0    0.027   0.029     1.273   88.214   86.857
LGA    K    12_A      K    12_A     1.836     0    0.034   0.040     3.466   70.952   63.386
LGA    V    13_A      V    13_A     2.655     0    0.041   0.892     3.545   62.857   57.415
LGA    N    14_A      N    14_A     1.536     0    0.023   1.102     4.356   79.405   70.655
LGA    D    15_A      D    15_A     0.999     0    0.027   1.004     2.711   81.667   72.321
LGA    F    16_A      F    16_A     2.877     0    0.026   0.178     6.037   59.048   39.481
LGA    L    17_A      L    17_A     2.564     0    0.042   0.058     4.372   66.905   55.298
LGA    A    18_A      A    18_A     0.793     0    0.044   0.046     1.248   85.952   86.857
LGA    E    19_A      E    19_A     1.961     0    0.020   0.881     5.292   70.952   52.540
LGA    I    20_A      I    20_A     2.141     0    0.012   0.697     3.254   68.810   63.036
LGA    F    21_A      F    21_A     0.744     0    0.031   0.421     3.205   83.690   75.801
LGA    K    22_A      K    22_A     2.201     0    0.047   0.835     4.391   67.024   57.831
LGA    K    23_A      K    23_A     2.788     0    0.021   0.619     3.986   57.262   54.074
LGA    I    24_A      I    24_A     2.025     0    0.051   0.053     3.011   59.167   69.226
LGA    G    25_A      G    25_A     2.671     0    0.580   0.580     3.711   53.690   53.690
LGA    S    26_A      S    26_A     4.556     0    0.128   0.770     8.358   45.476   32.778
LGA    K    27_A      K    27_A     1.818     0    0.038   1.029     6.465   46.548   48.783
LGA    E    28_A      E    28_A     9.017     0    0.111   0.107    14.446    4.643    2.063
LGA    N    29_A      N    29_A    10.867     0    0.272   1.144    13.288    0.357    0.238
LGA    T    30_A      T    30_A    12.078     0    0.637   1.165    14.287    0.000    0.000
LGA    K    31_A      K    31_A    16.364     0    0.061   1.103    20.957    0.000    0.000
LGA    E    32_A      E    32_A    19.477     0    0.031   0.890    25.201    0.000    0.000
LGA    G    33_A      G    33_A    15.584     0    0.018   0.018    16.582    0.000    0.000
LGA    L    34_A      L    34_A    14.520     0    0.040   0.067    16.977    0.000    0.000
LGA    A    35_A      A    35_A    20.752     0    0.021   0.025    22.347    0.000    0.000
LGA    E    36_A      E    36_A    21.543     0    0.033   0.057    25.351    0.000    0.000
LGA    L    37_A      L    37_A    16.429     0    0.049   0.051    17.867    0.000    0.000
LGA    Y    38_A      Y    38_A    19.171     0    0.050   1.320    21.927    0.000    0.000
LGA    E    39_A      E    39_A    24.237     0    0.073   1.020    29.312    0.000    0.000
LGA    Y    40_A      Y    40_A    22.324     0    0.191   0.229    23.840    0.000    0.000
LGA    K    41_A      K    41_A    18.543     0    0.075   0.671    20.002    0.000    0.000
LGA    K    42_A      K    42_A    23.295     0    0.042   0.994    29.658    0.000    0.000
LGA    K    43_A      K    43_A    26.049     0    0.028   1.016    34.191    0.000    0.000
LGA    Y    44_A      Y    44_A    21.596     0    0.299   1.307    22.819    0.000    0.000
LGA    S    45_A      S    45_A    19.160     0    0.439   0.634    21.494    0.000    0.000
LGA    D    46_A      D    46_A    18.373     0    0.368   1.290    19.621    0.000    0.000
LGA    A    47_A      A    47_A    18.272     0    0.142   0.144    20.437    0.000    0.000
LGA    D    48_A      D    48_A    14.836     0    0.017   0.166    15.973    0.000    0.000
LGA    I    49_A      I    49_A    12.660     0    0.676   1.543    16.265    0.000    0.000
LGA    E    50_A      E    50_A    12.801     0    0.089   1.603    13.562    0.000    0.000
LGA    P    51_A      P    51_A     9.973     0    0.093   0.333    11.087    0.119    0.612
LGA    F    52_A      F    52_A    10.944     0    0.563   1.208    17.965    0.000    0.000
LGA    L    53_A      L    53_A    10.807     0    0.054   0.469    16.273    0.000    0.000
LGA    K    54_A      K    54_A    11.243     0    0.040   0.623    17.055    0.000    0.000
LGA    N    55_A      N    55_A    10.458     0    0.060   1.125    11.841    0.000    0.417
LGA    S    56_A      S    56_A     9.983     0    0.574   0.740    11.385    0.357    0.317
LGA    S    57_A      S    57_A    14.565     0    0.604   0.585    17.226    0.000    0.000
LGA    Q    58_A      Q    58_A    15.505     0    0.059   1.429    16.752    0.000    0.000
LGA    F    59_A      F    59_A    14.595     0    0.046   1.555    20.439    0.000    0.000
LGA    F    60_A      F    60_A    11.517     0    0.105   1.251    12.863    0.119    0.087
LGA    Q    61_A      Q    61_A    11.020     0    0.056   0.979    13.236    0.119    0.053
LGA    S    62_A      S    62_A    11.249     0    0.043   0.058    13.743    0.476    0.317
LGA    Y    63_A      Y    63_A     8.942     0    0.026   1.353    16.780    5.952    2.024
LGA    V    64_A      V    64_A     6.396     0    0.040   1.027     7.517   18.214   17.075
LGA    E    65_A      E    65_A     7.167     0    0.063   0.894     8.809   13.690    8.571
LGA    R    66_A      R    66_A     6.445     0    0.045   0.691    14.278   23.452    9.481
LGA    G    67_A      G    67_A     3.959     0    0.082   0.082     4.804   45.476   45.476
LGA    L    68_A      L    68_A     3.313     0    0.030   0.059     5.358   50.000   42.976
LGA    R    69_A      R    69_A     4.125     0    0.069   1.481    14.485   43.571   20.087
LGA    V    70_A      V    70_A     3.002     0    0.074   1.102     4.311   51.786   48.231
LGA    I    71_A      I    71_A     4.004     0    0.037   0.658     5.778   36.190   33.333
LGA    E    72_A      E    72_A     5.649     0    0.024   1.063    11.692   24.048   13.122
LGA    M    73_A      M    73_A     3.871     0    0.028   1.173     6.434   37.262   35.238
LGA    E    74_A      E    74_A     5.998     0    0.056   0.234     8.649   16.905   12.804
LGA    R    75_A      R    75_A     9.466     0    0.064   1.798    11.164    2.262    9.827
LGA    E    76_A      E    76_A     9.277     0    0.062   0.877    10.161    1.786    2.011
LGA    G    77_A      G    77_A     7.389     0    0.281   0.281     8.571    5.714    5.714
LGA    K    78_A      K    78_A    11.191     0    0.226   0.858    17.003    0.119    0.053
LGA    G    79_A      G    79_A     6.824     0    0.053   0.053     7.797   17.024   17.024
LGA    R    80_A      R    80_A     4.402     0    0.192   0.940    11.742   22.619   20.563
LGA    I    81_A      I    81_A    10.282     0    0.136   1.267    14.551    1.786    0.893
LGA    S    82_A      S    82_A    13.988     0    0.183   0.258    14.899    0.000    0.000
LGA    T    83_A      T    83_A    18.837     0    0.620   1.276    21.461    0.000    0.000
LGA    S    84_A      S    84_A    24.975     0    0.585   0.772    27.915    0.000    0.000
LGA    T    85_A      T    85_A    25.184     0    0.391   0.404    27.825    0.000    0.000
LGA    G    86_A      G    86_A    26.347     0    0.444   0.444    28.601    0.000    0.000
LGA    I    87_A      I    87_A    30.392     0    0.438   0.503    33.182    0.000    0.000
LGA    S    88_A      S    88_A    32.671     0    0.077   0.656    36.016    0.000    0.000
LGA    P    89_A      P    89_A    31.567     0    0.048   0.106    36.148    0.000    0.000
LGA    Q    90_A      Q    90_A    36.346     0    0.452   1.043    39.041    0.000    0.000
LGA    M    91_A      M    91_A    39.373     0    0.572   0.813    45.432    0.000    0.000
LGA    E    92_A      E    92_A    41.897     0    0.326   0.347    48.696    0.000    0.000
LGA    V    93_A      V    93_A    43.958     0    0.655   0.985    47.348    0.000    0.000
LGA    T    94_A      T    94_A    48.078     0    0.610   1.399    48.978    0.000    0.000
LGA    C    95_A      C    95_A    49.775     0    0.063   0.820    52.220    0.000    0.000
LGA    V    96_A      V    96_A    45.021     0    0.640   0.981    46.463    0.000    0.000
LGA    P    97_A      P    97_A    43.905     0    0.693   0.991    46.431    0.000    0.000
LGA    T    98_A      T    98_A    47.874     0    0.100   0.165    50.907    0.000    0.000
LGA    P    99_A      P    99_A    47.265     0    0.629   0.634    49.918    0.000    0.000
LGA    T   100_A      T   100_A    48.944     0    0.343   0.428    51.281    0.000    0.000
LGA    S   101_A      S   101_A    45.498     0    0.652   0.839    46.925    0.000    0.000
LGA    T   102_A      T   102_A    43.693     0    0.328   1.120    47.072    0.000    0.000
LGA    V   103_A      V   103_A    41.199     0    0.396   0.382    42.404    0.000    0.000
LGA    S   104_A      S   104_A    42.799     0    0.585   0.822    42.799    0.000    0.000
LGA    S   105_A      S   105_A    43.489     0    0.104   0.707    44.706    0.000    0.000
LGA    I   106_A      I   106_A    45.161     0    0.626   1.021    47.372    0.000    0.000
LGA    G   107_A      G   107_A    46.977     0    0.570   0.570    49.287    0.000    0.000
LGA    N   108_A      N   108_A    47.042     0    0.340   1.013    51.388    0.000    0.000
LGA    T   109_A      T   109_A    43.783     0    0.592   1.342    46.221    0.000    0.000
LGA    N   110_A      N   110_A    47.079     0    0.554   0.539    49.896    0.000    0.000
LGA    G   111_A      G   111_A    45.749     0    0.038   0.038    47.009    0.000    0.000
LGA    E   112_A      E   112_A    44.175     0    0.316   1.012    45.028    0.000    0.000
LGA    E   113_A      E   113_A    43.863     0    0.701   1.086    45.320    0.000    0.000
LGA    V   114_A      V   114_A    42.022     0    0.087   0.987    44.582    0.000    0.000
LGA    G   115_A      G   115_A    35.864     0    0.078   0.078    38.463    0.000    0.000
LGA    P   116_A      P   116_A    37.228     0    0.113   0.367    41.102    0.000    0.000
LGA    S   117_A      S   117_A    39.653     0    0.231   0.224    43.638    0.000    0.000
LGA    V   118_A      V   118_A    33.153     0    0.046   0.839    35.326    0.000    0.000
LGA    Y   119_A      Y   119_A    29.235     0    0.044   1.276    30.825    0.000    0.000
LGA    L   120_A      L   120_A    34.582     0    0.060   0.089    39.593    0.000    0.000
LGA    E   121_A      E   121_A    36.542     0    0.035   0.929    42.065    0.000    0.000
LGA    R   122_A      R   122_A    29.816     0    0.013   1.707    31.901    0.000    0.000
LGA    L   123_A      L   123_A    28.593     0    0.040   0.065    30.841    0.000    0.000
LGA    K   124_A      K   124_A    35.582     0    0.058   0.907    46.007    0.000    0.000
LGA    I   125_A      I   125_A    35.586     0    0.034   0.062    37.163    0.000    0.000
LGA    L   126_A      L   126_A    29.780     0    0.054   0.095    31.518    0.000    0.000
LGA    R   127_A      R   127_A    32.959     0    0.027   0.926    36.249    0.000    0.000
LGA    Q   128_A      Q   128_A    39.863     0    0.049   0.875    45.190    0.000    0.000
LGA    R   129_A      R   129_A    37.616     0    0.054   1.263    38.676    0.000    0.000
LGA    C   130_A      C   130_A    35.142     0    0.101   0.094    38.404    0.000    0.000
LGA    G   131_A      G   131_A    41.185     0    0.584   0.584    41.804    0.000    0.000
LGA    L   132_A      L   132_A    41.484     0    0.112   0.154    41.977    0.000    0.000
LGA    D   133_A      D   133_A    43.275     0    0.084   1.220    44.773    0.000    0.000
LGA    N   134_A      N   134_A    44.683     0    0.505   1.114    49.544    0.000    0.000
LGA    T   135_A      T   135_A    44.189     0    0.606   1.359    46.207    0.000    0.000
LGA    K   136_A      K   136_A    50.612     0    0.566   0.920    54.974    0.000    0.000
LGA    Q   137_A      Q   137_A    53.152     0    0.090   0.187    55.076    0.000    0.000
LGA    D   138_A      D   138_A    57.438     0    0.621   0.615    59.323    0.000    0.000
LGA    D   139_A      D   139_A    61.801     0    0.435   1.223    65.098    0.000    0.000
LGA    R   140_A      R   140_A    61.017     0    0.540   1.216    69.276    0.000    0.000
LGA    P   141_A      P   141_A    59.519     0    0.145   0.691    62.853    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):    17.257         17.224                 17.484           15.327   13.221

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     28    2.44    22.163    18.577     1.103

LGA_LOCAL      RMSD:   2.438  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.453  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  17.257  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.877247 * X  +   0.318222 * Y  +  -0.359406 * Z  + -49.521542
  Y_new =   0.251725 * X  +  -0.942452 * Y  +  -0.220041 * Z  +  17.997129
  Z_new =  -0.408745 * X  +   0.102559 * Y  +  -0.906868 * Z  + 103.710793 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.279440  0.421078  3.028980   [DEG:   16.0107   24.1260  173.5478 ]
ZXZ: -1.021429  2.706588 -1.324960   [DEG:  -58.5236  155.0760  -75.9146 ]
 
# END of job
