
#######################################################
#                                                     #
#                        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  113 (  953),  selected  111 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  111 , 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:    62       3_A - 64_A        4.59    16.33
  LONGEST_CONTINUOUS_SEGMENT:    62       4_A - 65_A        4.88    16.41
  LCS_AVERAGE:     41.71

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28       5_A - 32_A        1.73    16.95
  LCS_AVERAGE:     14.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15       6_A - 20_A        0.82    18.10
  LONGEST_CONTINUOUS_SEGMENT:    15      46_A - 60_A        0.80    17.37
  LCS_AVERAGE:      8.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  111
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     G     3_A     G     3_A      3    3   62      3    3    5   11   17   22   26   30   33   40   48   52   55   60   62   63   65   67   68   69 
LCS_GDT     E     4_A     E     4_A      3    4   62      3    3    5   10   16   23   29   31   40   46   52   58   59   61   62   63   65   67   68   69 
LCS_GDT     E     5_A     E     5_A      3   28   62      3    3    5   13   21   34   42   46   49   52   56   59   60   61   62   63   65   67   68   69 
LCS_GDT     E     6_A     E     6_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R     7_A     R     7_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     F     8_A     F     8_A     15   28   62     10   15   25   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R     9_A     R     9_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    10_A     A    10_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     Y    11_A     Y    11_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     Y    12_A     Y    12_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    13_A     E    13_A     15   28   62     10   15   23   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R    14_A     R    14_A     15   28   62     10   15   19   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     Y    15_A     Y    15_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     F    16_A     F    16_A     15   28   62      7   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    17_A     A    17_A     15   28   62      7   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    18_A     A    18_A     15   28   62      9   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    19_A     L    19_A     15   28   62     10   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    20_A     A    20_A     15   28   62      6   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    21_A     A    21_A     13   28   62      3   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R    22_A     R    22_A     13   28   62      5   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     D    23_A     D    23_A     13   28   62      5   13   24   37   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     Y    24_A     Y    24_A     13   28   62      5   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    25_A     E    25_A     13   28   62      5   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     T    26_A     T    26_A     13   28   62      5    9   24   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    27_A     L    27_A     13   28   62      5   11   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    28_A     L    28_A     13   28   62      5   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    29_A     E    29_A     13   28   62      5   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     I    30_A     I    30_A     13   28   62      6   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    31_A     L    31_A     13   28   62      4   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R    32_A     R    32_A      4   28   62      4    7   17   35   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    33_A     E    33_A      4    7   62      4    4    4    5    8   16   24   39   47   50   55   58   60   60   63   64   65   67   68   69 
LCS_GDT     F    34_A     F    34_A      4    7   62      4    4    5    7    7    8   12   15   20   26   45   55   58   60   63   64   64   66   66   67 
LCS_GDT     G    35_A     G    35_A      4    7   62      4    4    5   12   22   27   40   48   49   51   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     V    36_A     V    36_A      4    7   62      1    4    5   13   22   27   43   48   49   51   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    37_A     A    37_A      4    7   62      3    4    5    7    8   14   16   24   33   50   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     K    38_A     K    38_A      4    7   62      3    4    5    7   11   16   23   29   44   51   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    39_A     L    39_A      3    7   62      3    3    3    6    8   16   23   32   44   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     V    40_A     V    40_A      3    7   62      1    3    7   16   27   42   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    41_A     L    41_A      3    7   62      3    3    4    7    7    7   37   47   49   50   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     N    42_A     N    42_A      3   19   62      3    4   16   33   41   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     G    43_A     G    43_A      6   19   62      4    4    9   12   14   30   44   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R    44_A     R    44_A     11   19   62      4    8   21   35   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    45_A     E    45_A     12   19   62      4    5   12   27   41   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     F    46_A     F    46_A     15   19   62      5    9   28   35   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    47_A     A    47_A     15   19   62      5    9   23   35   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     S    48_A     S    48_A     15   19   62      7   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     P    49_A     P    49_A     15   19   62     12   14   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    50_A     E    50_A     15   19   62     12   14   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    51_A     E    51_A     15   19   62     12   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    52_A     A    52_A     15   19   62     12   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     V    53_A     V    53_A     15   19   62     12   13   25   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     Q    54_A     Q    54_A     15   19   62     12   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     W    55_A     W    55_A     15   19   62     12   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     A    56_A     A    56_A     15   19   62     12   13   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     R    57_A     R    57_A     15   19   62     12   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     D    58_A     D    58_A     15   19   62     12   14   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     T    59_A     T    59_A     15   19   62     12   13   18   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     G    60_A     G    60_A     15   19   62     12   15   28   38   42   45   46   48   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L    61_A     L    61_A      4   18   62      3    4    8   11   18   25   29   36   47   50   55   58   60   61   62   63   65   67   68   69 
LCS_GDT     R    62_A     R    62_A      4    6   62      3    4    4    5   12   16   25   29   31   34   41   49   57   59   62   63   64   67   68   69 
LCS_GDT     F    63_A     F    63_A      4    6   62      3    4    4    5    9   14   18   23   27   32   34   42   48   55   57   60   62   66   68   69 
LCS_GDT     L    64_A     L    64_A      4    6   62      3    4    4    5    6    6   11   16   19   22   25   31   35   37   45   50   55   60   62   66 
LCS_GDT     R    65_A     R    65_A      3    6   62      3    3    4    5    6   10   15   17   20   23   27   31   33   37   41   46   50   54   56   58 
LCS_GDT     L    66_A     L    66_A      3    7   25      3    3    4    5    7   10   13   16   19   21   24   27   31   32   36   40   41   46   48   51 
LCS_GDT     I    67_A     I    67_A      3    7   25      3    3    3    5    7    8    9   11   12   13   24   31   33   36   39   42   45   52   55   58 
LCS_GDT     R    68_A     R    68_A      5    7   25      3    4    5    5    7    8    9   13   17   23   27   29   32   36   40   46   50   53   56   58 
LCS_GDT     E    69_A     E    69_A      5    7   25      3    4    5    5    7    8   10   12   13   15   18   21   26   33   38   40   44   50   54   58 
LCS_GDT     R    70_A     R    70_A      5    7   14      3    4    5    5    7    8    9   12   13   15   18   21   22   25   27   31   35   39   42   45 
LCS_GDT     Y    71_A     Y    71_A      5    7   16      3    4    5    5    7    8   14   14   15   18   20   22   23   26   28   31   32   38   39   42 
LCS_GDT     E    72_A     E    72_A      5    7   17      3    3    5    5    7    8    9   11   16   21   25   31   33   34   39   41   43   45   47   47 
LCS_GDT     D    73_A     D    73_A      7    8   18      3    5    7    8    8    9   10   11   13   14   25   28   29   32   36   39   42   44   47   47 
LCS_GDT     G    74_A     G    74_A      7   12   31      3    6    7   10   11   12   13   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     V    75_A     V    75_A      7   12   31      3    6    7   10   11   12   13   19   21   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     Y    76_A     Y    76_A      7   12   31      3    6    7   10   11   12   12   19   25   27   29   35   36   43   50   56   58   63   67   68 
LCS_GDT     T    77_A     T    77_A      7   12   31      3    6    7   10   11   12   13   19   25   27   29   44   53   58   61   63   65   67   68   69 
LCS_GDT     V    78_A     V    78_A      7   12   31      3    6    7   10   11   14   36   44   49   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     E    79_A     E    79_A      7   12   31      3    6    7    9   11   15   16   20   36   51   53   59   60   61   63   64   65   67   68   69 
LCS_GDT     D    80_A     D    80_A      7   12   31      5    6    7   10   11   15   16   19   25   27   36   47   58   60   63   64   64   66   66   67 
LCS_GDT     I    81_A     I    81_A      6   12   31      5    6    7    8   11   15   16   19   21   26   28   33   34   38   45   50   59   61   64   66 
LCS_GDT     V    82_A     V    82_A      6   12   31      5    6    7   10   11   15   16   17   19   20   24   26   30   34   39   41   43   45   47   49 
LCS_GDT     S    83_A     S    83_A      6   12   31      5    6    7   10   11   15   16   17   19   20   24   26   30   34   37   40   43   45   47   47 
LCS_GDT     R    84_A     R    84_A      6   12   31      5    6    7   10   11   15   16   17   19   20   22   25   29   31   33   37   41   45   47   47 
LCS_GDT     D    85_A     D    85_A      6   12   31      3    5    7   10   11   15   16   17   19   20   22   25   29   31   33   35   38   40   44   45 
LCS_GDT     D    86_A     D    86_A      4   15   31      3    3    6   11   14   15   16   17   19   20   24   26   29   31   33   35   38   41   44   45 
LCS_GDT     G    87_A     G    87_A     10   15   31      5    8    9   11   14   15   16   17   19   20   24   26   29   31   34   39   42   45   47   47 
LCS_GDT     R    88_A     R    88_A     10   15   31      5    8    9   12   14   15   16   17   19   20   24   26   30   34   37   40   43   45   47   47 
LCS_GDT     Y    89_A     Y    89_A     10   15   31      5    8    9   12   14   14   16   17   19   22   24   26   34   36   39   41   43   45   47   47 
LCS_GDT     Y    90_A     Y    90_A     10   15   31      5    8    9   12   14   15   17   19   21   24   28   33   34   36   39   41   49   53   59   63 
LCS_GDT     R    91_A     R    91_A     10   15   31      5    8    9   12   14   17   19   29   32   34   41   51   58   60   63   64   64   66   66   67 
LCS_GDT     H    92_A     H    92_A     10   15   31      3    6    8   12   15   17   23   27   48   51   55   59   60   61   63   64   65   67   68   69 
LCS_GDT     T    93_A     T    93_A     10   15   31      3    8    9   12   14   17   20   30   44   52   55   59   60   61   63   64   65   67   68   69 
LCS_GDT     S    94_A     S    94_A     10   15   31      3    8    9   12   15   17   19   20   25   34   46   53   56   60   62   63   65   67   68   69 
LCS_GDT     T    95_A     T    95_A     10   15   31      4    8    9   12   14   17   19   20   25   27   29   33   34   36   39   41   58   60   62   68 
LCS_GDT     L    96_A     L    96_A     10   15   31      4    6    9   12   15   17   19   20   25   27   29   33   34   36   39   41   43   46   51   54 
LCS_GDT     R    97_A     R    97_A      8   15   31      4    6    8   12   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     R    98_A     R    98_A      8   15   31      4    6    8   12   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     Q    99_A     Q    99_A      8   15   31      4    6    8   12   14   16   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     P   100_A     P   100_A      8   15   31      3    4    7   11   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     D   101_A     D   101_A      8   14   31      3    7    8   11   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     G   102_A     G   102_A      8   14   31      3    7    8   11   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     S   103_A     S   103_A      8   14   31      3    7    8   11   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     Y   104_A     Y   104_A      8   14   31      3    7    8   11   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     V   105_A     V   105_A      8   14   31      4    7    8    9   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     Q   106_A     Q   106_A      8   14   30      4    7    8    9   15   17   19   20   25   27   29   33   34   36   39   41   43   45   47   47 
LCS_GDT     Y   107_A     Y   107_A      8   14   29      4    7    8   11   15   17   19   20   25   27   29   33   34   36   39   50   65   65   67   68 
LCS_GDT     S   108_A     S   108_A      8   14   26      4    5    8   11   15   17   19   20   25   27   29   33   34   60   61   64   65   67   68   69 
LCS_GDT     Q   109_A     Q   109_A      6   14   26      3    5    7   11   15   17   35   40   48   52   56   59   60   61   63   64   65   67   68   69 
LCS_GDT     L   110_A     L   110_A      6   11   26      3    5    7   10   12   17   19   20   32   34   41   51   58   60   63   64   64   66   68   69 
LCS_GDT     E   111_A     E   111_A      6    8   26      3    5    7    8   11   15   17   20   22   26   29   39   41   46   51   56   60   61   65   66 
LCS_GDT     L   112_A     L   112_A      6    8   26      3    6    6    8   11   15   16   17   19   24   28   33   34   36   39   41   43   45   47   47 
LCS_GDT     L   113_A     L   113_A      6    8   26      3    3    6    8    9   13   14   17   19   20   22   26   30   34   39   41   43   45   47   47 
LCS_AVERAGE  LCS_A:  21.49  (   8.20   14.57   41.71 )

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     12     15     28     38     42     45     46     48     49     52     56     59     60     61     63     64     65     67     68     69 
GDT PERCENT_AT  10.53  13.16  24.56  33.33  36.84  39.47  40.35  42.11  42.98  45.61  49.12  51.75  52.63  53.51  55.26  56.14  57.02  58.77  59.65  60.53
GDT RMS_LOCAL    0.30   0.52   1.08   1.34   1.50   1.70   1.87   2.26   2.29   2.85   3.14   3.42   3.51   3.66   4.06   4.22   4.23   4.55   4.76   4.86
GDT RMS_ALL_AT  17.52  18.13  17.01  17.05  16.92  16.74  16.67  16.58  16.58  16.40  16.38  16.37  16.35  16.31  16.55  16.52  16.23  16.18  16.21  16.20

# Checking swapping
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  D    80_A      D    80_A
#   possible swapping detected:  D    85_A      D    85_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  D   101_A      D   101_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   107_A      Y   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A    13.718     0    0.383   0.383    15.903    0.000    0.000
LGA    E     4_A      E     4_A    10.626     0    0.639   1.230    16.280    0.476    0.212
LGA    E     5_A      E     5_A     6.485     0    0.235   0.973     7.226   20.000   20.847
LGA    E     6_A      E     6_A     1.633     0    0.610   1.135     7.528   66.905   49.788
LGA    R     7_A      R     7_A     3.478     0    0.018   1.080    10.315   51.786   24.372
LGA    F     8_A      F     8_A     3.316     0    0.052   0.243     7.821   57.381   32.641
LGA    R     9_A      R     9_A     1.583     0    0.010   1.103     5.803   77.143   60.779
LGA    A    10_A      A    10_A     1.406     0    0.029   0.028     1.911   77.143   76.286
LGA    Y    11_A      Y    11_A     1.871     0    0.057   0.611     5.081   75.000   56.310
LGA    Y    12_A      Y    12_A     1.384     0    0.050   1.187    11.796   81.429   39.325
LGA    E    13_A      E    13_A     2.072     0    0.087   1.182     6.189   68.929   53.704
LGA    R    14_A      R    14_A     2.424     0    0.009   0.988     7.869   64.762   42.251
LGA    Y    15_A      Y    15_A     1.260     0    0.060   0.145     3.498   81.429   70.556
LGA    F    16_A      F    16_A     1.627     0    0.050   1.174     8.490   75.000   45.455
LGA    A    17_A      A    17_A     2.084     0    0.008   0.010     2.366   66.786   66.381
LGA    A    18_A      A    18_A     1.922     0    0.110   0.122     1.961   75.000   74.571
LGA    L    19_A      L    19_A     1.412     0    0.015   1.382     5.223   81.548   68.393
LGA    A    20_A      A    20_A     1.350     0    0.123   0.131     1.874   83.690   81.524
LGA    A    21_A      A    21_A     1.698     0    0.109   0.112     2.245   75.000   72.952
LGA    R    22_A      R    22_A     1.899     0    0.044   1.147     3.155   66.905   67.965
LGA    D    23_A      D    23_A     2.539     0    0.065   0.096     4.046   66.905   57.738
LGA    Y    24_A      Y    24_A     1.460     0    0.019   1.311    10.244   81.548   45.595
LGA    E    25_A      E    25_A     1.314     0    0.006   1.207     5.111   77.143   65.291
LGA    T    26_A      T    26_A     2.321     0    0.040   0.081     3.400   66.786   60.612
LGA    L    27_A      L    27_A     1.438     0    0.046   0.172     1.606   77.143   79.286
LGA    L    28_A      L    28_A     0.906     0    0.136   0.932     3.898   83.690   73.810
LGA    E    29_A      E    29_A     1.376     0    0.088   0.311     2.979   79.286   73.069
LGA    I    30_A      I    30_A     0.407     0    0.193   0.694     1.723   97.619   94.226
LGA    L    31_A      L    31_A     1.471     0    0.584   0.617     3.537   69.762   75.595
LGA    R    32_A      R    32_A     1.627     0    0.605   1.316    12.831   59.762   27.619
LGA    E    33_A      E    33_A     7.426     0    0.012   0.598    13.634    9.762    4.550
LGA    F    34_A      F    34_A     9.300     0    0.603   1.388    16.880    8.333    3.030
LGA    G    35_A      G    35_A     5.524     0    0.673   0.673     6.633   18.333   18.333
LGA    V    36_A      V    36_A     5.071     0    0.155   1.044     6.317   26.190   24.218
LGA    A    37_A      A    37_A     7.831     0    0.673   0.607     9.771    9.643    7.810
LGA    K    38_A      K    38_A     7.652     0    0.098   0.557     7.693    7.857   14.974
LGA    L    39_A      L    39_A     7.568     0    0.080   1.415     7.793    8.571   10.714
LGA    V    40_A      V    40_A     4.484     0    0.216   1.088     5.350   39.167   41.565
LGA    L    41_A      L    41_A     5.013     0    0.486   1.000    12.167   33.095   17.679
LGA    N    42_A      N    42_A     1.759     0    0.445   0.419     3.679   66.786   61.190
LGA    G    43_A      G    43_A     4.969     0    0.722   0.722     4.969   38.810   38.810
LGA    R    44_A      R    44_A     1.153     0    0.062   0.950     9.698   70.952   45.022
LGA    E    45_A      E    45_A     2.785     0    0.105   0.976     5.459   66.905   50.741
LGA    F    46_A      F    46_A     1.029     0    0.090   0.141     1.852   79.286   77.532
LGA    A    47_A      A    47_A     1.960     0    0.654   0.587     2.997   77.381   73.333
LGA    S    48_A      S    48_A     1.427     0    0.110   0.182     1.784   75.000   77.143
LGA    P    49_A      P    49_A     2.586     0    0.081   0.340     4.126   62.857   56.531
LGA    E    50_A      E    50_A     1.978     0    0.013   0.757     3.656   70.833   61.111
LGA    E    51_A      E    51_A     1.746     0    0.013   0.925     3.559   72.857   66.931
LGA    A    52_A      A    52_A     2.157     0    0.013   0.014     2.343   64.762   64.762
LGA    V    53_A      V    53_A     2.304     0    0.049   0.044     3.337   68.810   62.789
LGA    Q    54_A      Q    54_A     1.442     0    0.011   1.374     5.994   79.286   60.635
LGA    W    55_A      W    55_A     1.757     0    0.014   0.046     2.616   72.857   66.565
LGA    A    56_A      A    56_A     1.839     0    0.016   0.022     1.932   72.857   72.857
LGA    R    57_A      R    57_A     1.499     0    0.042   1.263     6.921   79.286   56.883
LGA    D    58_A      D    58_A     1.425     0    0.055   0.094     1.891   77.143   75.000
LGA    T    59_A      T    59_A     2.176     0    0.169   1.120     3.581   70.833   64.082
LGA    G    60_A      G    60_A     1.458     0    0.240   0.240     3.564   63.690   63.690
LGA    L    61_A      L    61_A     6.992     0    0.631   0.606    13.082   15.119    7.917
LGA    R    62_A      R    62_A    10.527     0    0.684   1.305    14.318    0.357    0.130
LGA    F    63_A      F    63_A    12.072     0    0.246   0.489    15.612    0.000    0.000
LGA    L    64_A      L    64_A    15.778     0    0.614   0.542    16.876    0.000    0.000
LGA    R    65_A      R    65_A    19.143     0    0.638   1.388    28.217    0.000    0.000
LGA    L    66_A      L    66_A    22.169     0    0.603   1.400    28.406    0.000    0.000
LGA    I    67_A      I    67_A    19.168     0    0.249   0.645    19.966    0.000    0.000
LGA    R    68_A      R    68_A    19.997     0    0.492   1.281    22.047    0.000    0.000
LGA    E    69_A      E    69_A    20.225     0    0.151   0.983    24.268    0.000    0.000
LGA    R    70_A      R    70_A    24.827     0    0.068   1.218    25.254    0.000    0.000
LGA    Y    71_A      Y    71_A    28.291     0    0.628   1.173    36.947    0.000    0.000
LGA    E    72_A      E    72_A    29.853     0    0.096   0.674    33.141    0.000    0.000
LGA    D    73_A      D    73_A    28.915     0    0.061   1.247    30.610    0.000    0.000
LGA    G    74_A      G    74_A    29.250     0    0.175   0.175    29.250    0.000    0.000
LGA    V    75_A      V    75_A    24.124     0    0.149   0.195    28.326    0.000    0.000
LGA    Y    76_A      Y    76_A    16.869     0    0.046   1.206    19.531    0.000    0.000
LGA    T    77_A      T    77_A    13.927     0    0.030   0.051    18.168    0.119    0.068
LGA    V    78_A      V    78_A     7.535     0    0.142   0.162    10.641    2.976   10.544
LGA    E    79_A      E    79_A     8.393     0    0.614   0.870     8.568    5.595    7.619
LGA    D    80_A      D    80_A    10.262     0    0.161   0.912    13.881    0.714    0.357
LGA    I    81_A      I    81_A    15.032     0    0.040   1.161    17.976    0.000    0.000
LGA    V    82_A      V    82_A    20.478     0    0.021   0.037    22.105    0.000    0.000
LGA    S    83_A      S    83_A    25.922     0    0.064   0.503    28.111    0.000    0.000
LGA    R    84_A      R    84_A    31.096     0    0.081   0.993    33.206    0.000    0.000
LGA    D    85_A      D    85_A    35.496     0    0.325   1.139    38.362    0.000    0.000
LGA    D    86_A      D    86_A    34.950     0    0.051   1.202    36.102    0.000    0.000
LGA    G    87_A      G    87_A    31.240     0    0.613   0.613    32.529    0.000    0.000
LGA    R    88_A      R    88_A    26.698     0    0.019   1.441    35.715    0.000    0.000
LGA    Y    89_A      Y    89_A    21.162     0    0.014   1.106    30.161    0.000    0.000
LGA    Y    90_A      Y    90_A    15.394     0    0.066   1.193    24.225    0.000    0.000
LGA    R    91_A      R    91_A    10.344     0    0.011   1.303    12.738    0.119    1.688
LGA    H    92_A      H    92_A     7.829     0    0.174   0.848     7.829   14.762   18.714
LGA    T    93_A      T    93_A     9.185     0    0.090   0.105    12.340    1.071    0.680
LGA    S    94_A      S    94_A    11.683     0    0.037   0.048    14.004    0.000    0.238
LGA    T    95_A      T    95_A    18.794     0    0.046   0.065    23.383    0.000    0.000
LGA    L    96_A      L    96_A    21.056     0    0.087   0.856    25.054    0.000    0.000
LGA    R    97_A      R    97_A    28.013     0    0.053   1.561    33.633    0.000    0.000
LGA    R    98_A      R    98_A    31.973     0    0.103   1.550    38.123    0.000    0.000
LGA    Q    99_A      Q    99_A    36.041     0    0.630   1.186    39.967    0.000    0.000
LGA    P   100_A      P   100_A    41.679     0    0.089   0.144    44.881    0.000    0.000
LGA    D   101_A      D   101_A    42.974     0    0.146   1.026    43.909    0.000    0.000
LGA    G   102_A      G   102_A    40.733     0    0.035   0.035    41.109    0.000    0.000
LGA    S   103_A      S   103_A    36.544     0    0.091   0.147    38.091    0.000    0.000
LGA    Y   104_A      Y   104_A    30.592     0    0.044   1.367    36.324    0.000    0.000
LGA    V   105_A      V   105_A    26.508     0    0.036   1.059    27.748    0.000    0.000
LGA    Q   106_A      Q   106_A    21.278     0    0.072   1.168    23.481    0.000    0.000
LGA    Y   107_A      Y   107_A    16.146     0    0.034   1.329    17.918    0.000    0.000
LGA    S   108_A      S   108_A    12.107     0    0.049   0.638    13.667    0.000    0.000
LGA    Q   109_A      Q   109_A     7.742     0    0.054   0.621    11.128    6.071    4.603
LGA    L   110_A      L   110_A     9.634     0    0.041   1.348    14.617    1.310    0.655
LGA    E   111_A      E   111_A    12.617     0    0.115   1.120    15.282    0.000    0.000
LGA    L   112_A      L   112_A    18.997     0    0.088   0.844    24.845    0.000    0.000
LGA    L   113_A      L   113_A    22.872     0    0.652   0.595    27.076    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      111     444    444  100.00     939    939  100.00               114
SUMMARY(RMSD_GDC):    16.042         16.047                 16.521           31.108   26.744

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  114    4.0     48    2.26    36.184    32.794     2.034

LGA_LOCAL      RMSD:   2.260  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.584  Number of assigned atoms:  111 
Std_ASGN_ATOMS RMSD:  16.042  Standard rmsd on all 111 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.396255 * X  +   0.320752 * Y  +  -0.860291 * Z  +   1.846226
  Y_new =  -0.461128 * X  +  -0.740718 * Y  +  -0.488568 * Z  +   0.632099
  Z_new =  -0.793942 * X  +   0.590301 * Y  +  -0.145606 * Z  +  17.856472 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.860918  0.917265  1.812632   [DEG:  -49.3270   52.5554  103.8562 ]
ZXZ: -1.054307  1.716921 -0.931463   [DEG:  -60.4073   98.3724  -53.3689 ]
 
# END of job
