
#######################################################
#                                                     #
#                        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  112 (  893),  selected  112 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  112 , 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:    65      66_A - 130_A       4.56    36.95
  LCS_AVERAGE:     39.54

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      73_A - 130_A       1.80    37.90
  LCS_AVERAGE:     30.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      83_A - 121_A       1.00    37.45
  LCS_AVERAGE:     20.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     F    19_A     F    19_A      3    4   17      3    3    4    4    4    4    5    5    5    5    7   11   12   14   17   18   19   23   25   31 
LCS_GDT     A    20_A     A    20_A      3    9   20      3    3    4    5    8    8    9   11   13   15   17   17   18   20   21   33   36   38   43   46 
LCS_GDT     E    21_A     E    21_A      8    9   21      7    7    8    8    8   10   14   20   24   32   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     G    22_A     G    22_A      8    9   21      7    7    8    8    8   10   18   22   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     V    23_A     V    23_A      8    9   21      7    7    8    8    8   10   18   30   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     K    24_A     K    24_A      8    9   21      7    7    8    8    8   10   18   22   27   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     L    25_A     L    25_A      8    9   29      7    7    8    8    8    8   18   22   30   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     W    26_A     W    26_A      8    9   29      7    7    8    8   13   15   22   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     Q    27_A     Q    27_A      8    9   29      7    7    8    8   13   15   18   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     E    28_A     E    28_A      8    9   29      3    6    8    8    8    8   11   13   17   21   31   37   38   40   42   44   47   51   52   52 
LCS_GDT     N    29_A     N    29_A      3    9   29      3    3    4    4    7    9   11   13   17   21   25   27   31   36   38   43   47   51   52   52 
LCS_GDT     A    30_A     A    30_A      4   10   29      3    4    5    8   10   10   11   13   17   21   25   27   31   36   38   41   47   51   52   52 
LCS_GDT     V    31_A     V    31_A      4   10   29      4    4    5    8   10   10   11   13   17   29   36   37   39   40   42   44   47   51   52   52 
LCS_GDT     L    32_A     L    32_A      4   10   29      4    4    5    8   10   10   11   12   17   19   20   23   27   31   40   42   44   51   52   52 
LCS_GDT     W    33_A     W    33_A      7   10   29      7    7    7    8   10   10   11   13   17   19   20   24   28   34   35   40   45   51   52   52 
LCS_GDT     T    34_A     T    34_A      7   10   29      7    7    7    8   10   10   11   13   17   22   30   34   39   41   42   44   47   51   52   52 
LCS_GDT     R    35_A     R    35_A      7   10   39      7    7    7    8   10   10   11   12   14   15   20   27   34   40   42   44   47   51   52   52 
LCS_GDT     L    36_A     L    36_A      7   10   39      7    7    7    8   10   10   11   12   14   15   19   21   26   30   35   40   44   51   52   52 
LCS_GDT     V    37_A     V    37_A      7   10   39      7    7    7    8   10   10   11   12   15   16   20   24   28   34   36   40   46   51   52   52 
LCS_GDT     Q    38_A     Q    38_A      7   10   39      7    7    7    8   10   10   11   13   18   21   27   32   36   41   42   44   47   51   52   52 
LCS_GDT     A    39_A     A    39_A      7   10   39      7    7    7    8   10   10   11   12   14   15   17   23   27   33   38   43   47   51   52   52 
LCS_GDT     F    40_A     F    40_A      4    6   39      3    4    5    7    8    9   11   13   17   19   23   25   31   34   38   43   47   51   52   52 
LCS_GDT     Q    41_A     Q    41_A      4    6   39      3    4    6    7    7    8   11   13   17   19   20   24   28   32   36   39   43   47   49   52 
LCS_GDT     S    42_A     S    42_A      4    6   39      3    4    6    8   14   24   29   31   32   32   33   34   37   41   42   44   47   51   52   52 
LCS_GDT     G    43_A     G    43_A      4   32   39      3    3    6    7   10   16   26   31   32   32   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     D    44_A     D    44_A     30   32   39      8   21   29   30   30   30   31   32   33   33   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     Q    45_A     Q    45_A     30   32   39      5   18   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     S    46_A     S    46_A     30   32   39     11   23   29   30   30   30   31   32   33   33   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     T    47_A     T    47_A     30   32   39     11   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     V    48_A     V    48_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     D    49_A     D    49_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     S    50_A     S    50_A     30   32   39     10   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     L    51_A     L    51_A     30   32   39     13   26   28   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     L    52_A     L    52_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     K    53_A     K    53_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     Q    54_A     Q    54_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     L    55_A     L    55_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     D    56_A     D    56_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     A    57_A     A    57_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     N    58_A     N    58_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     A    59_A     A    59_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     A    60_A     A    60_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     R    61_A     R    61_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     V    62_A     V    62_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     E    63_A     E    63_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     Q    64_A     Q    64_A     30   32   39     14   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     L    65_A     L    65_A     30   32   39     13   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     L    66_A     L    66_A     30   32   65     13   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   52   52 
LCS_GDT     Q    67_A     Q    67_A     30   32   65     13   26   29   30   30   30   31   32   33   34   36   37   39   41   42   44   47   51   61   63 
LCS_GDT     R    68_A     R    68_A     30   32   65     13   26   29   30   30   30   31   32   33   34   36   37   39   41   49   55   62   62   63   63 
LCS_GDT     I    69_A     I    69_A     30   32   65     13   26   29   30   30   30   31   32   33   39   47   52   59   61   61   62   62   62   63   63 
LCS_GDT     I    70_A     I    70_A     30   32   65     12   26   29   30   30   30   31   32   33   40   52   58   59   61   61   62   62   62   63   63 
LCS_GDT     S    71_A     S    71_A     30   32   65     12   26   29   30   30   30   31   39   46   55   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E    72_A     E    72_A     30   32   65     12   26   29   30   30   30   31   32   33   34   48   51   58   61   61   62   62   62   63   63 
LCS_GDT     T    73_A     T    73_A     30   58   65     13   26   29   30   30   30   41   55   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     G    74_A     G    74_A     28   58   65      3    4    5   21   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     D    75_A     D    75_A      7   58   65      4    6   27   42   49   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E    76_A     E    76_A      7   58   65      4    6    9   15   44   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L    77_A     L    77_A      7   58   65      4    6    9   16   50   52   56   57   57   57   58   58   59   60   61   62   62   62   63   63 
LCS_GDT     A    78_A     A    78_A      7   58   65      4   12   23   31   44   53   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     R    79_A     R    79_A      7   58   65      3   16   30   45   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     K    80_A     K    80_A      7   58   65      3    6   11   41   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     G    81_A     G    81_A     20   58   65      3    6   33   47   51   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E    82_A     E    82_A     38   58   65      9   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     S    83_A     S    83_A     39   58   65     10   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L    84_A     L    84_A     39   58   65     10   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     F    85_A     F    85_A     39   58   65      9   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q    86_A     Q    86_A     39   58   65     11   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     R    87_A     R    87_A     39   58   65     12   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     N    88_A     N    88_A     39   58   65      9   24   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q    89_A     Q    89_A     39   58   65      9   27   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q    90_A     Q    90_A     39   58   65     12   27   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L    91_A     L    91_A     39   58   65     10   22   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     F    92_A     F    92_A     39   58   65     12   22   41   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     S    93_A     S    93_A     39   58   65     12   22   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q    94_A     Q    94_A     39   58   65     12   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L    95_A     L    95_A     39   58   65     12   21   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     K    96_A     K    96_A     39   58   65     12   19   38   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     T    97_A     T    97_A     39   58   65     12   27   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L    98_A     L    98_A     39   58   65     12   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     F    99_A     F    99_A     39   58   65     12   27   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     S   100_A     S   100_A     39   58   65     12   27   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q   101_A     Q   101_A     39   58   65     12   27   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     G   102_A     G   102_A     39   58   65     12   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     D   103_A     D   103_A     39   58   65     13   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E   104_A     E   104_A     39   58   65     13   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     D   105_A     D   105_A     39   58   65     13   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     T   106_A     T   106_A     39   58   65     12   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     A   107_A     A   107_A     39   58   65     13   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     K   108_A     K   108_A     39   58   65     13   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     A   109_A     A   109_A     39   58   65     12   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     V   110_A     V   110_A     39   58   65     12   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L   111_A     L   111_A     39   58   65     14   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E   112_A     E   112_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E   113_A     E   113_A     39   58   65     12   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     I   114_A     I   114_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q   115_A     Q   115_A     39   58   65     12   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     S   116_A     S   116_A     39   58   65      7   28   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     N   117_A     N   117_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     L   118_A     L   118_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     N   119_A     N   119_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q   120_A     Q   120_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     I   121_A     I   121_A     39   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q   122_A     Q   122_A     37   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q   123_A     Q   123_A     37   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     I   124_A     I   124_A     37   58   65     12   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     I   125_A     I   125_A     37   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     T   126_A     T   126_A     37   58   65     15   29   42   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     E   127_A     E   127_A     37   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     A   128_A     A   128_A     37   58   65     15   29   43   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     Q   129_A     Q   129_A     37   58   65     15   29   42   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_GDT     K   130_A     K   130_A     37   58   65     15   29   42   49   52   54   56   57   57   57   58   58   59   61   61   62   62   62   63   63 
LCS_AVERAGE  LCS_A:  30.24  (  20.51   30.68   39.54 )

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     15     29     43     49     52     54     56     57     57     57     58     58     59     61     61     62     62     62     63     63 
GDT PERCENT_AT  11.36  21.97  32.58  37.12  39.39  40.91  42.42  43.18  43.18  43.18  43.94  43.94  44.70  46.21  46.21  46.97  46.97  46.97  47.73  47.73
GDT RMS_LOCAL    0.29   0.67   1.02   1.14   1.30   1.40   1.52   1.60   1.60   1.60   1.80   1.80   2.20   3.01   2.77   3.07   3.07   3.07   3.58   3.58
GDT RMS_ALL_AT  38.44  38.15  37.76  37.86  37.88  37.85  37.87  37.91  37.91  37.91  37.90  37.90  37.79  37.45  37.63  37.49  37.49  37.49  37.30  37.30

# Checking swapping
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    19_A      F    19_A    35.803     0    0.609   1.498    36.946    0.000    0.000
LGA    A    20_A      A    20_A    35.555     0    0.138   0.147    36.010    0.000    0.000
LGA    E    21_A      E    21_A    35.328     0    0.596   0.587    36.950    0.000    0.000
LGA    G    22_A      G    22_A    33.225     0    0.053   0.053    34.945    0.000    0.000
LGA    V    23_A      V    23_A    32.283     0    0.051   0.062    35.651    0.000    0.000
LGA    K    24_A      K    24_A    37.908     0    0.031   1.060    41.240    0.000    0.000
LGA    L    25_A      L    25_A    40.621     0    0.073   1.386    42.651    0.000    0.000
LGA    W    26_A      W    26_A    38.517     0    0.080   1.293    40.830    0.000    0.000
LGA    Q    27_A      Q    27_A    40.250     0    0.534   1.017    44.470    0.000    0.000
LGA    E    28_A      E    28_A    46.748     0    0.538   1.350    49.651    0.000    0.000
LGA    N    29_A      N    29_A    52.186     0    0.563   0.821    54.616    0.000    0.000
LGA    A    30_A      A    30_A    55.060     0    0.169   0.173    58.712    0.000    0.000
LGA    V    31_A      V    31_A    57.243     0    0.220   1.225    61.525    0.000    0.000
LGA    L    32_A      L    32_A    62.189     0    0.103   1.396    66.384    0.000    0.000
LGA    W    33_A      W    33_A    66.296     0    0.585   1.267    67.277    0.000    0.000
LGA    T    34_A      T    34_A    65.738     0    0.018   0.020    69.889    0.000    0.000
LGA    R    35_A      R    35_A    72.024     0    0.022   1.687    76.149    0.000    0.000
LGA    L    36_A      L    36_A    74.698     0    0.024   0.898    77.616    0.000    0.000
LGA    V    37_A      V    37_A    73.775     0    0.035   0.959    77.046    0.000    0.000
LGA    Q    38_A      Q    38_A    76.592     0    0.235   0.930    81.232    0.000    0.000
LGA    A    39_A      A    39_A    82.486     0    0.369   0.369    85.972    0.000    0.000
LGA    F    40_A      F    40_A    83.016     0    0.305   1.245    86.661    0.000    0.000
LGA    Q    41_A      Q    41_A    82.826     0    0.165   0.892    83.780    0.000    0.000
LGA    S    42_A      S    42_A    82.180     0    0.632   0.785    84.452    0.000    0.000
LGA    G    43_A      G    43_A    83.429     0    0.525   0.525    83.429    0.000    0.000
LGA    D    44_A      D    44_A    79.475     0    0.536   0.923    80.950    0.000    0.000
LGA    Q    45_A      Q    45_A    78.540     0    0.009   0.302    84.936    0.000    0.000
LGA    S    46_A      S    46_A    77.458     0    0.023   0.044    79.939    0.000    0.000
LGA    T    47_A      T    47_A    72.125     0    0.059   0.071    74.616    0.000    0.000
LGA    V    48_A      V    48_A    68.439     0    0.034   0.062    70.359    0.000    0.000
LGA    D    49_A      D    49_A    68.823     0    0.031   1.081    73.683    0.000    0.000
LGA    S    50_A      S    50_A    66.155     0    0.059   0.655    69.360    0.000    0.000
LGA    L    51_A      L    51_A    60.553     0    0.098   0.115    63.116    0.000    0.000
LGA    L    52_A      L    52_A    58.746     0    0.093   1.388    60.730    0.000    0.000
LGA    K    53_A      K    53_A    58.265     0    0.024   0.820    67.360    0.000    0.000
LGA    Q    54_A      Q    54_A    53.858     0    0.046   0.769    56.562    0.000    0.000
LGA    L    55_A      L    55_A    49.394     0    0.016   1.397    51.541    0.000    0.000
LGA    D    56_A      D    56_A    48.724     0    0.008   1.334    51.950    0.000    0.000
LGA    A    57_A      A    57_A    47.247     0    0.067   0.073    49.311    0.000    0.000
LGA    N    58_A      N    58_A    41.961     0    0.069   0.061    45.100    0.000    0.000
LGA    A    59_A      A    59_A    38.907     0    0.038   0.036    40.605    0.000    0.000
LGA    A    60_A      A    60_A    38.191     0    0.055   0.059    40.535    0.000    0.000
LGA    R    61_A      R    61_A    35.730     0    0.032   1.543    41.350    0.000    0.000
LGA    V    62_A      V    62_A    30.249     0    0.026   0.039    32.718    0.000    0.000
LGA    E    63_A      E    63_A    28.586     0    0.047   0.872    31.838    0.000    0.000
LGA    Q    64_A      Q    64_A    27.339     0    0.023   1.350    31.659    0.000    0.000
LGA    L    65_A      L    65_A    24.027     0    0.036   0.033    28.696    0.000    0.000
LGA    L    66_A      L    66_A    19.350     0    0.094   1.405    21.483    0.000    0.000
LGA    Q    67_A      Q    67_A    18.022     0    0.062   0.314    25.560    0.000    0.000
LGA    R    68_A      R    68_A    17.480     0    0.080   1.105    28.197    0.000    0.000
LGA    I    69_A      I    69_A    12.682     0    0.050   0.042    15.594    0.357    0.179
LGA    I    70_A      I    70_A     9.537     0    0.015   0.040    14.677    3.333    1.667
LGA    S    71_A      S    71_A    10.619     0    0.032   0.044    13.655    0.000    0.000
LGA    E    72_A      E    72_A    12.044     0    0.066   1.021    18.759    0.000    0.000
LGA    T    73_A      T    73_A     6.695     0    0.052   0.065     8.160   12.381   19.320
LGA    G    74_A      G    74_A     3.019     0    0.383   0.383     4.054   50.476   50.476
LGA    D    75_A      D    75_A     3.309     0    0.597   1.334     8.047   55.476   34.821
LGA    E    76_A      E    76_A     3.336     0    0.081   1.273    10.351   55.476   29.206
LGA    L    77_A      L    77_A     3.884     0    0.014   0.021     8.217   48.452   29.762
LGA    A    78_A      A    78_A     3.568     0    0.029   0.027     4.925   51.905   47.810
LGA    R    79_A      R    79_A     2.963     0    0.040   1.014     8.743   60.952   32.035
LGA    K    80_A      K    80_A     2.469     0    0.073   1.014    10.771   66.786   39.259
LGA    G    81_A      G    81_A     2.559     0    0.020   0.020     2.559   62.857   62.857
LGA    E    82_A      E    82_A     1.425     0    0.071   0.087     2.542   79.286   73.122
LGA    S    83_A      S    83_A     1.474     0    0.033   0.659     3.158   79.286   73.333
LGA    L    84_A      L    84_A     1.296     0    0.020   0.065     1.762   81.429   80.357
LGA    F    85_A      F    85_A     1.031     0    0.015   1.282     5.387   85.952   70.173
LGA    Q    86_A      Q    86_A     0.382     0    0.032   0.042     0.813   92.857   93.651
LGA    R    87_A      R    87_A     0.781     0    0.059   1.173     6.529   85.952   54.459
LGA    N    88_A      N    88_A     1.486     0    0.035   0.839     1.770   79.286   79.345
LGA    Q    89_A      Q    89_A     1.269     0    0.038   0.706     1.862   79.286   79.577
LGA    Q    90_A      Q    90_A     0.977     0    0.032   0.074     1.182   85.952   90.582
LGA    L    91_A      L    91_A     1.314     0    0.067   0.085     1.472   81.429   81.429
LGA    F    92_A      F    92_A     1.937     0    0.032   1.189     4.894   72.857   60.996
LGA    S    93_A      S    93_A     1.749     0    0.064   0.086     1.772   75.000   74.286
LGA    Q    94_A      Q    94_A     0.737     0    0.030   1.334     4.647   88.214   71.376
LGA    L    95_A      L    95_A     1.577     0    0.024   1.015     2.284   75.000   71.905
LGA    K    96_A      K    96_A     2.363     0    0.050   0.056     5.092   66.786   53.439
LGA    T    97_A      T    97_A     1.741     0    0.027   0.029     2.106   77.143   74.150
LGA    L    98_A      L    98_A     0.424     0    0.008   0.039     0.849   95.238   95.238
LGA    F    99_A      F    99_A     1.176     0    0.054   1.184     5.124   83.690   65.411
LGA    S   100_A      S   100_A     1.858     0    0.041   0.043     2.484   75.000   71.587
LGA    Q   101_A      Q   101_A     1.446     0    0.237   0.993     5.845   85.952   62.381
LGA    G   102_A      G   102_A     0.558     0    0.184   0.184     1.707   83.810   83.810
LGA    D   103_A      D   103_A     0.673     0    0.046   0.992     4.798   92.857   72.560
LGA    E   104_A      E   104_A     0.541     0    0.068   0.062     1.016   90.476   89.471
LGA    D   105_A      D   105_A     0.438     0    0.078   0.084     0.954   95.238   94.048
LGA    T   106_A      T   106_A     1.169     0    0.016   1.101     3.279   83.690   74.762
LGA    A   107_A      A   107_A     0.846     0    0.044   0.046     0.950   90.476   90.476
LGA    K   108_A      K   108_A     0.735     0    0.080   1.012     6.284   90.476   68.360
LGA    A   109_A      A   109_A     1.097     0    0.042   0.048     1.290   83.690   83.238
LGA    V   110_A      V   110_A     0.934     0    0.030   0.034     0.970   90.476   90.476
LGA    L   111_A      L   111_A     0.801     0    0.044   1.421     3.736   90.476   77.202
LGA    E   112_A      E   112_A     0.999     0    0.026   0.067     1.149   85.952   88.466
LGA    E   113_A      E   113_A     1.154     0    0.015   0.869     3.171   81.429   69.048
LGA    I   114_A      I   114_A     1.293     0    0.017   0.015     1.583   79.286   81.488
LGA    Q   115_A      Q   115_A     1.290     0    0.070   0.925     3.964   81.429   70.265
LGA    S   116_A      S   116_A     1.439     0    0.079   0.680     1.726   83.690   81.508
LGA    N   117_A      N   117_A     0.950     0    0.012   0.045     1.519   88.214   83.750
LGA    L   118_A      L   118_A     0.916     0    0.059   1.396     3.003   90.476   79.940
LGA    N   119_A      N   119_A     0.646     0    0.028   0.033     0.939   95.238   92.857
LGA    Q   120_A      Q   120_A     0.239     0    0.049   0.689     1.841  100.000   94.921
LGA    I   121_A      I   121_A     0.349     0    0.018   0.033     1.032  100.000   94.107
LGA    Q   122_A      Q   122_A     0.652     0    0.035   0.867     5.179   92.857   73.439
LGA    Q   123_A      Q   123_A     0.668     0    0.038   1.370     4.670   90.476   70.899
LGA    I   124_A      I   124_A     0.250     0    0.040   0.049     1.329  100.000   94.107
LGA    I   125_A      I   125_A     0.796     0    0.015   0.014     1.518   92.857   86.071
LGA    T   126_A      T   126_A     1.112     0    0.024   0.029     1.495   83.690   82.721
LGA    E   127_A      E   127_A     0.899     0    0.045   0.863     3.683   90.476   77.037
LGA    A   128_A      A   128_A     0.763     0    0.040   0.041     1.128   88.214   88.667
LGA    Q   129_A      Q   129_A     1.325     0    0.032   1.331     6.102   77.143   59.048
LGA    K   130_A      K   130_A     1.699     0    0.034   0.781     4.108   75.000   64.762

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     893    893  100.00               132
SUMMARY(RMSD_GDC):    25.767         25.784                 25.847           35.319   31.679

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  132    4.0     57    1.60    37.311    37.153     3.355

LGA_LOCAL      RMSD:   1.599  Number of atoms:   57  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  37.913  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:  25.767  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.994621 * X  +   0.036943 * Y  +  -0.096774 * Z  +  -0.175144
  Y_new =   0.103485 * X  +  -0.313185 * Y  +   0.944037 * Z  + -48.666592
  Z_new =   0.004568 * X  +  -0.948973 * Y  +  -0.315324 * Z  +  15.874660 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.103671 -0.004568 -1.891598   [DEG:    5.9399   -0.2617 -108.3806 ]
ZXZ: -3.039439  1.891594  3.136780   [DEG: -174.1470  108.3804  179.7242 ]
 
# END of job
