
#######################################################
#                                                     #
#                        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 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  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:   110       4_A - 113_A       4.65     5.70
  LCS_AVERAGE:     96.80

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      10_A - 37_A        1.99     6.56
  LCS_AVERAGE:     17.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      66_A - 80_A        1.00     9.10
  LCS_AVERAGE:      8.96

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     P     2_A     P     2_A      3   10   21      0    3    4    6    8   10   12   14   16   20   22   24   25   36   40   42   43   46   56   65 
LCS_GDT     M     3_A     M     3_A      5   10   21      0    3    5    6    8   10   12   13   16   20   22   24   31   36   40   42   43   49   64   75 
LCS_GDT     G     4_A     G     4_A      5   10  110      0    5    6    7    8   10   13   14   16   20   32   32   33   49   54   66   69   76   82   90 
LCS_GDT     L     5_A     L     5_A      5   10  110      3    5    6    7    8   10   13   23   28   34   38   46   50   54   61   72   90   96  104  105 
LCS_GDT     L     6_A     L     6_A      6   10  110      3    5    7    8    9   11   17   23   33   39   42   51   58   63   77   86   98  104  107  108 
LCS_GDT     P     7_A     P     7_A      7   10  110      5    5    7    8    9   11   22   33   41   51   58   73   91  100  104  107  107  107  107  108 
LCS_GDT     L     8_A     L     8_A      7   10  110      5    5    7    8   13   20   29   40   49   60   77   92   99  105  106  107  107  107  107  108 
LCS_GDT     K     9_A     K     9_A      7   10  110      5    5    7    9   23   39   52   66   83   92   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    10_A     V    10_A      7   28  110      5    5   15   34   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    11_A     T    11_A      7   28  110      6   11   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     H    12_A     H    12_A     10   28  110     10   19   23   30   40   52   76   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    13_A     T    13_A     10   28  110      5    8   24   35   47   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    14_A     T    14_A     10   28  110      5    9   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    15_A     L    15_A     10   28  110      5   10   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    16_A     C    16_A     10   28  110      5    9   23   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     W    17_A     W    17_A     14   28  110      4   11   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    18_A     G    18_A     14   28  110      3    9   17   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    19_A     S    19_A     14   28  110      3   13   24   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    20_A     T    20_A     14   28  110      3   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    21_A     K    21_A     14   28  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    22_A     L    22_A     14   28  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    23_A     R    23_A     14   28  110      6   19   24   35   48   60   74   83   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    24_A     T    24_A     14   28  110     10   19   25   38   51   64   78   86   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     D    25_A     D    25_A     14   28  110      3   19   25   37   51   66   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    26_A     V    26_A     14   28  110      4   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    27_A     R    27_A     14   28  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    28_A     K    28_A     14   28  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    29_A     S    29_A     14   28  110      7   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     M    30_A     M    30_A     14   28  110      7   18   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    31_A     Q    31_A     14   28  110      4   18   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    32_A     V    32_A     13   28  110      4   15   25   36   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    33_A     K    33_A     10   28  110      3   10   22   35   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    34_A     N    34_A      9   28  110      3    8   14   29   49   63   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    35_A     T    35_A     12   28  110      3   10   23   35   47   63   78   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    36_A     A    36_A     12   28  110      3   15   25   35   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     D    37_A     D    37_A     12   28  110      3   10   18   35   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    38_A     K    38_A     12   27  110      4   10   18   35   50   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    39_A     R    39_A     12   27  110      4   10   16   28   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    40_A     L    40_A     12   27  110      4    7   16   28   42   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    41_A     V    41_A     12   21  110      4   10   16   28   42   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    42_A     I    42_A     12   21  110      4    8   16   28   39   61   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    43_A     R    43_A     12   21  110      3   10   16   28   42   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    44_A     L    44_A     12   21  110      3   10   15   28   43   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    45_A     G    45_A     12   21  110      3   10   16   30   47   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    46_A     I    46_A     12   21  110      3   10   16   30   47   67   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    47_A     Q    47_A     12   21  110      3    8   16   26   43   63   78   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    48_A     G    48_A     12   21  110      3    8   16   26   32   53   71   86   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    49_A     P    49_A     10   21  110      3    8   16   22   29   42   62   75   87   94   97  103  105  105  106  107  107  107  107  108 
LCS_GDT     G    50_A     G    50_A     10   21  110      3    8   16   24   33   48   67   78   90   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     F    51_A     F    51_A      5   21  110      3    5   23   36   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    52_A     Q    52_A      5   16  110      4    7   15   35   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    53_A     L    53_A      5   14  110      4    7   15   34   50   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    54_A     V    54_A      5   10  110      4   11   23   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    55_A     G    55_A      5    8  110      4   11   23   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    56_A     T    56_A      5    8  110      3    7   18   32   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     D    57_A     D    57_A      3    8  110      3    3    3    4    7    9   14   48   60   83   95  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    58_A     S    58_A      4    8  110      3    7   11   18   32   44   60   77   83   93   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    59_A     S    59_A      4    6  110      4    5    6   16   27   34   43   62   76   90   97  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    60_A     T    60_A      4    6  110      3    7   16   30   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    61_A     I    61_A      4    9  110      3    4   14   22   33   48   67   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    62_A     T    62_A      5    9  110      3    5    6   19   33   44   62   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    63_A     L    63_A      5   21  110      3    5   15   22   33   57   78   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    64_A     Q    64_A     13   22  110      3   10   18   25   46   62   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    65_A     A    65_A     13   22  110      3    5    5   19   27   42   56   83   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     M    66_A     M    66_A     15   23  110      4   13   23   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     E    67_A     E    67_A     15   23  110      4   13   23   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    68_A     C    68_A     15   23  110      3   13   23   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    69_A     R    69_A     15   23  110      4   13   22   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    70_A     S    70_A     15   23  110      5   13   24   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    71_A     V    71_A     15   23  110      6   13   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    72_A     V    72_A     15   23  110      6   15   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    73_A     I    73_A     15   23  110      6   15   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    74_A     N    74_A     15   23  110      7   18   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     F    75_A     F    75_A     15   23  110      5   19   24   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    76_A     C    76_A     15   23  110     10   19   24   36   48   65   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    77_A     P    77_A     15   23  110      4   19   24   36   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    78_A     T    78_A     15   23  110      4   12   23   30   38   56   70   83   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    79_A     V    79_A     15   23  110      4   17   24   36   51   67   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    80_A     C    80_A     15   23  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    81_A     G    81_A     12   23  110      4   10   23   35   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    82_A     A    82_A     12   23  110      4    9   23   30   45   63   78   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    83_A     A    83_A     12   23  110      4   19   23   31   48   67   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    84_A     I    84_A      8   23  110      5   18   24   36   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    85_A     G    85_A      8   23  110      5   10   24   35   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    86_A     A    86_A      8   23  110      5   15   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    87_A     L    87_A      8   23  110      4   10   18   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    88_A     S    88_A      8   23  110      4   10   18   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     F    89_A     F    89_A      8   15  110      4    8   15   31   48   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Y    90_A     Y    90_A      8   15  110      4    8   15   31   50   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    91_A     A    91_A      8   15  110      4    8   14   22   32   43   78   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    92_A     P    92_A      6   15  110      4   10   16   30   49   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    93_A     P    93_A      6   15  110      4    6   12   31   48   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    94_A     G    94_A      6   15  110      4   10   16   26   43   62   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    95_A     A    95_A      3   15  110      0   10   16   30   46   62   78   85   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     H    96_A     H    96_A      3    5  110      3    3    4    4    6   36   52   68   83   91   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    97_A     N    97_A      4    6  110      4    4    4    5   31   40   51   72   85   93   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    98_A     S    98_A      4    7  110      4    4   15   25   31   40   54   76   86   93   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    99_A     N    99_A      4   14  110      4    4   15   25   31   40   54   72   85   93   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q   100_A     Q   100_A      4   14  110      4    4    5   10   12   18   42   49   68   89   95  104  105  105  106  107  107  107  107  108 
LCS_GDT     P   101_A     P   101_A     11   14  110      4   10   15   33   49   67   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   102_A     G   102_A     11   14  110      4   10   19   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L   103_A     L   103_A     11   14  110      5   10   17   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     E   104_A     E   104_A     11   14  110      6   11   24   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     I   105_A     I   105_A     11   14  110      6   12   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     P   106_A     P   106_A     11   14  110      5   12   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     L   107_A     L   107_A     11   14  110      6   15   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Y   108_A     Y   108_A     11   14  110      6   14   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   109_A     G   109_A     11   14  110     10   19   24   36   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     Y   110_A     Y   110_A     11   14  110     10   19   24   36   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   111_A     G   111_A     11   14  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   112_A     G   112_A     11   14  110     10   19   25   38   51   68   79   87   91   94   99  104  105  105  106  107  107  107  107  108 
LCS_GDT     S   113_A     S   113_A      3   13  110      3    3    9   13   22   41   52   75   87   94   99  104  105  105  106  107  107  107  107  108 
LCS_AVERAGE  LCS_A:  41.11  (   8.96   17.57   96.80 )

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     19     25     38     51     68     79     87     91     94     99    104    105    105    106    107    107    107    107    108 
GDT PERCENT_AT   8.93  16.96  22.32  33.93  45.54  60.71  70.54  77.68  81.25  83.93  88.39  92.86  93.75  93.75  94.64  95.54  95.54  95.54  95.54  96.43
GDT RMS_LOCAL    0.29   0.55   1.08   1.42   1.78   2.19   2.40   2.58   2.68   2.81   3.08   3.36   3.41   3.41   3.51   3.64   3.64   3.64   3.64   3.91
GDT RMS_ALL_AT  10.38  10.59   6.68   7.02   6.62   6.33   6.31   6.35   6.37   6.41   6.23   6.08   6.10   6.10   6.05   5.99   5.99   5.99   5.99   5.90

# Checking swapping
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  Y   110_A      Y   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    30.185     0    0.494   0.698    31.095    0.000    0.000
LGA    M     3_A      M     3_A    28.511     0    0.571   0.899    33.286    0.000    0.000
LGA    G     4_A      G     4_A    23.887     0    0.405   0.405    24.964    0.000    0.000
LGA    L     5_A      L     5_A    19.833     0    0.104   0.881    21.311    0.000    0.000
LGA    L     6_A      L     6_A    16.945     0    0.372   1.318    21.683    0.000    0.000
LGA    P     7_A      P     7_A    12.242     0    0.057   0.189    14.908    0.000    0.000
LGA    L     8_A      L     8_A    10.041     0    0.095   1.177    13.054    2.976    1.667
LGA    K     9_A      K     9_A     6.393     0    0.040   0.950     7.873   17.976   18.042
LGA    V    10_A      V    10_A     2.933     0    0.043   0.291     3.962   59.524   56.531
LGA    T    11_A      T    11_A     1.578     0    0.139   1.150     3.729   65.595   68.776
LGA    H    12_A      H    12_A     3.782     0    0.657   1.534    11.402   57.500   27.381
LGA    T    13_A      T    13_A     2.797     0    0.031   1.375     6.108   65.357   50.476
LGA    T    14_A      T    14_A     1.618     0    0.133   1.087     4.170   72.976   66.803
LGA    L    15_A      L    15_A     1.275     0    0.071   0.196     2.470   75.119   83.988
LGA    C    16_A      C    16_A     2.580     0    0.049   0.321     4.148   66.905   58.016
LGA    W    17_A      W    17_A     1.846     0    0.623   0.621     3.293   65.119   74.456
LGA    G    18_A      G    18_A     2.716     0    0.096   0.096     2.716   60.952   60.952
LGA    S    19_A      S    19_A     2.952     0    0.107   0.615     3.622   62.976   60.000
LGA    T    20_A      T    20_A     2.359     0    0.067   0.939     3.578   57.262   56.327
LGA    K    21_A      K    21_A     3.140     0    0.029   1.251     6.045   55.357   47.354
LGA    L    22_A      L    22_A     2.958     0    0.069   0.925     6.323   50.238   43.750
LGA    R    23_A      R    23_A     4.592     0    0.025   1.033     6.308   34.524   30.000
LGA    T    24_A      T    24_A     3.734     0    0.061   0.244     4.376   48.452   48.435
LGA    D    25_A      D    25_A     3.282     0    0.118   0.976     7.659   53.571   36.131
LGA    V    26_A      V    26_A     2.131     0    0.062   0.196     2.649   64.762   67.211
LGA    R    27_A      R    27_A     2.314     0    0.137   1.333    10.135   68.810   37.749
LGA    K    28_A      K    28_A     1.816     0    0.080   1.432     3.062   70.833   66.772
LGA    S    29_A      S    29_A     2.094     0    0.069   0.805     2.324   64.762   64.762
LGA    M    30_A      M    30_A     2.106     0    0.062   0.869     6.127   68.810   54.167
LGA    Q    31_A      Q    31_A     1.858     0    0.036   0.877     5.204   68.810   51.164
LGA    V    32_A      V    32_A     2.151     0    0.057   0.210     2.865   68.810   67.143
LGA    K    33_A      K    33_A     2.800     0    0.087   1.288     6.780   50.357   36.614
LGA    N    34_A      N    34_A     3.814     0    0.083   0.074     7.508   57.976   40.417
LGA    T    35_A      T    35_A     3.720     0    0.595   1.284     6.826   54.167   38.980
LGA    A    36_A      A    36_A     2.453     0    0.050   0.070     3.220   63.095   60.476
LGA    D    37_A      D    37_A     1.423     0    0.110   0.969     2.884   73.214   69.048
LGA    K    38_A      K    38_A     1.844     0    0.021   0.917     8.112   77.143   51.429
LGA    R    39_A      R    39_A     2.383     0    0.251   1.425     4.494   60.952   55.065
LGA    L    40_A      L    40_A     2.884     0    0.080   0.872     6.444   57.143   44.821
LGA    V    41_A      V    41_A     2.875     0    0.089   1.105     5.337   53.571   50.680
LGA    I    42_A      I    42_A     3.278     0    0.045   1.150     6.087   51.786   39.405
LGA    R    43_A      R    43_A     2.867     0    0.065   0.247     4.237   57.143   50.909
LGA    L    44_A      L    44_A     2.850     0    0.047   0.328     4.015   57.143   52.857
LGA    G    45_A      G    45_A     2.882     0    0.058   0.058     2.882   57.143   57.143
LGA    I    46_A      I    46_A     3.164     0    0.087   1.732     5.804   46.667   40.952
LGA    Q    47_A      Q    47_A     4.261     0    0.077   1.227     9.395   38.690   26.561
LGA    G    48_A      G    48_A     5.265     0    0.230   0.230     5.310   28.810   28.810
LGA    P    49_A      P    49_A     6.545     0    0.159   0.481     7.396   14.405   13.469
LGA    G    50_A      G    50_A     5.720     0    0.280   0.280     5.919   26.429   26.429
LGA    F    51_A      F    51_A     2.399     0    0.064   1.281     6.689   76.310   44.632
LGA    Q    52_A      Q    52_A     2.360     0    0.212   0.974    10.392   75.357   41.164
LGA    L    53_A      L    53_A     2.629     0    0.380   1.086     5.681   55.595   45.179
LGA    V    54_A      V    54_A     1.547     0    0.104   1.172     3.012   68.929   68.571
LGA    G    55_A      G    55_A     1.580     0    0.540   0.540     2.082   72.976   72.976
LGA    T    56_A      T    56_A     2.949     0    0.559   0.582     6.881   40.714   34.150
LGA    D    57_A      D    57_A     7.248     0    0.562   1.525    12.665   17.619    9.167
LGA    S    58_A      S    58_A     6.197     0    0.244   0.339     7.610   17.143   14.286
LGA    S    59_A      S    59_A     6.760     0    0.095   0.377     7.629   18.452   14.683
LGA    T    60_A      T    60_A     2.423     0    0.651   1.313     4.611   47.381   59.660
LGA    I    61_A      I    61_A     3.899     0    0.150   1.099     6.406   48.452   36.190
LGA    T    62_A      T    62_A     3.873     0    0.251   0.239     4.385   41.786   41.565
LGA    L    63_A      L    63_A     3.086     0    0.248   1.190     6.203   55.476   41.845
LGA    Q    64_A      Q    64_A     3.686     0    0.067   1.363     5.036   50.357   43.439
LGA    A    65_A      A    65_A     5.214     0    0.640   0.594     6.492   27.619   25.524
LGA    M    66_A      M    66_A     2.735     0    0.248   0.992     5.680   57.143   49.226
LGA    E    67_A      E    67_A     2.768     0    0.178   0.911     3.064   65.119   61.693
LGA    C    68_A      C    68_A     2.774     0    0.060   0.685     6.588   51.905   45.159
LGA    R    69_A      R    69_A     2.445     0    0.107   0.999     2.829   68.810   70.173
LGA    S    70_A      S    70_A     1.989     0    0.037   0.700     4.512   66.786   59.286
LGA    V    71_A      V    71_A     2.044     0    0.133   1.289     3.712   70.833   67.551
LGA    V    72_A      V    72_A     1.752     0    0.087   0.153     2.265   68.810   74.218
LGA    I    73_A      I    73_A     2.270     0    0.049   1.691     3.577   66.786   62.262
LGA    N    74_A      N    74_A     2.355     0    0.070   1.028     3.176   60.952   63.036
LGA    F    75_A      F    75_A     2.564     0    0.052   0.801     2.765   59.048   71.039
LGA    C    76_A      C    76_A     3.469     0    0.143   0.161     4.451   46.786   43.571
LGA    P    77_A      P    77_A     2.636     0    0.148   0.196     3.196   53.571   61.837
LGA    T    78_A      T    78_A     4.759     0    0.019   1.107     6.142   35.833   29.728
LGA    V    79_A      V    79_A     3.279     0    0.066   0.081     4.117   57.738   50.680
LGA    C    80_A      C    80_A     0.817     0    0.042   0.780     3.801   86.071   76.746
LGA    G    81_A      G    81_A     2.588     0    0.059   0.059     2.588   67.143   67.143
LGA    A    82_A      A    82_A     4.133     0    0.359   0.386     5.223   41.786   38.667
LGA    A    83_A      A    83_A     3.418     0    0.095   0.112     3.751   46.667   46.000
LGA    I    84_A      I    84_A     2.674     0    0.039   1.247     3.536   60.952   57.321
LGA    G    85_A      G    85_A     2.262     0    0.081   0.081     2.488   70.952   70.952
LGA    A    86_A      A    86_A     1.066     0    0.024   0.037     1.620   83.810   83.333
LGA    L    87_A      L    87_A     1.149     0    0.094   0.245     2.469   83.690   78.333
LGA    S    88_A      S    88_A     1.240     0    0.061   0.134     1.570   77.143   80.079
LGA    F    89_A      F    89_A     2.365     0    0.137   0.536     4.989   62.857   50.823
LGA    Y    90_A      Y    90_A     2.121     0    0.095   1.238     9.863   59.167   37.262
LGA    A    91_A      A    91_A     3.924     0    0.160   0.231     5.685   55.714   48.857
LGA    P    92_A      P    92_A     2.675     0    0.095   0.364     7.150   55.833   40.136
LGA    P    93_A      P    93_A     2.758     0    0.056   0.304     5.713   55.952   45.646
LGA    G    94_A      G    94_A     3.805     0    0.649   0.649     5.353   42.857   42.857
LGA    A    95_A      A    95_A     4.547     0    0.524   0.524     5.675   30.595   30.762
LGA    H    96_A      H    96_A     7.882     0    0.589   1.510    14.430   11.905    4.810
LGA    N    97_A      N    97_A     7.633     0    0.258   1.186    12.334    7.857    4.464
LGA    S    98_A      S    98_A     6.864     0    0.051   0.753     7.932   10.119   11.190
LGA    N    99_A      N    99_A     7.880     0    0.277   1.093     9.999    6.190    5.893
LGA    Q   100_A      Q   100_A     8.514     0    0.245   0.268    15.471    9.167    4.074
LGA    P   101_A      P   101_A     3.181     0    0.097   0.128     5.723   35.238   38.435
LGA    G   102_A      G   102_A     2.135     0    0.401   0.401     2.997   64.881   64.881
LGA    L   103_A      L   103_A     2.091     0    0.060   0.911     4.962   70.952   64.821
LGA    E   104_A      E   104_A     1.109     0    0.053   0.174     1.645   77.143   79.577
LGA    I   105_A      I   105_A     0.545     0    0.045   0.142     1.007   88.214   90.536
LGA    P   106_A      P   106_A     0.978     0    0.139   0.460     2.424   90.476   84.218
LGA    L   107_A      L   107_A     0.381     0    0.250   1.310     3.010   95.238   84.583
LGA    Y   108_A      Y   108_A     0.810     0    0.129   1.213     7.664   90.476   61.627
LGA    G   109_A      G   109_A     1.366     0    0.242   0.242     1.984   77.143   77.143
LGA    Y   110_A      Y   110_A     1.327     0    0.107   1.534    11.945   85.952   42.619
LGA    G   111_A      G   111_A     0.927     0    0.059   0.059     1.565   83.810   83.810
LGA    G   112_A      G   112_A     2.203     0    0.214   0.214     3.823   59.524   59.524
LGA    S   113_A      S   113_A     5.428     0    0.557   0.670     8.871   30.595   22.063

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     5.600          5.538                  6.082           52.626   46.998

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     87    2.58    56.027    50.570     3.247

LGA_LOCAL      RMSD:   2.580  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.355  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   5.600  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.527682 * X  +  -0.751134 * Y  +   0.396673 * Z  +   3.055345
  Y_new =  -0.606751 * X  +  -0.006484 * Y  +   0.794865 * Z  + -62.494854
  Z_new =  -0.594478 * X  +  -0.660118 * Y  +  -0.459173 * Z  +  13.828438 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.854985  0.636617 -2.178558   [DEG:  -48.9870   36.4754 -124.8222 ]
ZXZ:  2.678710  2.047860 -2.408466   [DEG:  153.4788  117.3337 -137.9950 ]
 
# END of job
