
#######################################################
#                                                     #
#                        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   98 (  777),  selected   95 , name one
# Molecule2: number of CA atoms  126 (  936),  selected   95 , 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:    32      95_A - 126_A       4.85    25.62
  LONGEST_CONTINUOUS_SEGMENT:    32      96_A - 127_A       4.83    25.12
  LCS_AVERAGE:     22.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     101_A - 118_A       1.75    24.61
  LONGEST_CONTINUOUS_SEGMENT:    18     102_A - 119_A       1.64    24.45
  LCS_AVERAGE:      9.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17     102_A - 118_A       0.77    24.80
  LCS_AVERAGE:      7.23

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   95
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     E    86_A     E    86_A      8   15   18      6    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     A    87_A     A    87_A      8   15   18      6    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     L    88_A     L    88_A      8   15   18      6    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     E    89_A     E    89_A      8   15   18      6    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     R    90_A     R    90_A      8   15   18      6    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     S    91_A     S    91_A      8   15   18      6    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     I    92_A     I    92_A      8   15   18      5    7   10   14   15   15   15   15   15   16   16   16   16   17   17   17   17   18   19   20 
LCS_GDT     T    93_A     T    93_A      8   15   18      5    7   10   14   15   15   15   15   15   16   16   16   16   17   18   24   25   29   30   32 
LCS_GDT     A    94_A     A    94_A      8   15   25      5    7    9   14   15   15   15   15   15   16   16   16   20   22   27   29   30   30   33   34 
LCS_GDT     L    95_A     L    95_A      8   15   32      5    7   10   14   15   15   15   15   15   16   16   16   17   20   27   29   30   32   33   34 
LCS_GDT     A    96_A     A    96_A      8   15   32      5    7   10   14   15   15   15   15   15   16   16   21   27   29   31   31   33   35   41   44 
LCS_GDT     A    97_A     A    97_A      8   15   32      3    7    9   14   15   15   15   15   18   22   24   26   29   30   31   33   38   40   44   51 
LCS_GDT     M    98_A     M    98_A      8   15   32      3    7    9   14   15   15   15   18   21   24   26   27   29   30   35   37   39   44   49   52 
LCS_GDT     T    99_A     T    99_A      8   15   32      3    7    9   14   15   15   15   16   18   24   26   27   29   30   31   31   34   41   47   52 
LCS_GDT     G   100_A     G   100_A      7   15   32      3    4    7    9   15   15   15   16   18   21   26   27   29   32   38   43   45   47   50   53 
LCS_GDT     H   101_A     H   101_A      3   18   32      3    3    4    4    7   13   18   20   22   26   31   35   39   43   45   48   52   54   55   56 
LCS_GDT     A   102_A     A   102_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     P   103_A     P   103_A     17   18   32     14   15   16   17   17   17   18   20   22   26   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     S   104_A     S   104_A     17   18   32     14   15   16   17   17   17   18   20   24   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     S   105_A     S   105_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     I   106_A     I   106_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     K   107_A     K   107_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     E   108_A     E   108_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     E   109_A     E   109_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     C   110_A     C   110_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     V   111_A     V   111_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     E   112_A     E   112_A     17   18   32     14   15   16   17   17   17   18   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   113_A     L   113_A     17   18   32     14   15   16   17   17   17   18   20   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     I   114_A     I   114_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     D   115_A     D   115_A     17   18   32     14   15   16   17   17   17   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     K   116_A     K   116_A     17   18   32     14   15   16   17   17   17   18   20   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   117_A     L   117_A     17   18   32      3   12   16   17   17   17   18   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     D   118_A     D   118_A     17   18   32      0    3    3   17   17   17   17   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     W   119_A     W   119_A      3   18   32      3    3    5    5    6    8   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   120_A     L   120_A      3    4   32      3    3    5    5    5    8   14   15   24   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     R   121_A     R   121_A      3    4   32      3    3    4    4    5    6    9   17   21   24   26   29   37   39   42   48   52   54   55   56 
LCS_GDT     V   122_A     V   122_A      3    5   32      3    4    4    4    5    6    8    9   13   17   22   25   28   33   38   39   45   48   53   56 
LCS_GDT     E   123_A     E   123_A      3    5   32      3    3    4    4    5    6    8   12   19   23   26   32   37   39   45   50   52   54   55   56 
LCS_GDT     N   124_A     N   124_A      3    5   32      3    4    4    4    5    6   18   20   22   24   33   34   39   41   45   48   52   54   55   56 
LCS_GDT     D   125_A     D   125_A      3    5   32      3    4    4    4    5   14   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     V   126_A     V   126_A      3    5   32      3    4    5    7   10   14   19   23   26   30   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     I   127_A     I   127_A      4    5   32      3    4    5    5    8   10   16   20   26   29   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     Q   128_A     Q   128_A      4    5   31      3    4    5    5    5   10   14   19   26   27   31   36   40   45   46   50   52   54   55   56 
LCS_GDT     Y   129_A     Y   129_A      4    5   21      3    4    4    4    5    6    7   10   13   17   22   30   33   35   37   41   43   48   52   56 
LCS_GDT     P   130_A     P   130_A      4    5   21      3    4    4    5    8   11   16   20   26   28   31   35   40   45   46   50   52   54   55   56 
LCS_GDT     T   131_A     T   131_A      3    5   21      1    3    4    7   10   14   19   23   26   30   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   132_A     L   132_A      3   12   21      0    3    3    7   11   15   16   20   26   29   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     S   133_A     S   133_A     11   12   21     10   11   11   11   13   15   19   23   26   30   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     K   134_A     K   134_A     11   12   21     10   11   11   11   13   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   135_A     L   135_A     11   12   21     10   11   11   11   13   15   16   17   22   29   31   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   136_A     L   136_A     11   12   21     10   11   11   11   13   15   16   20   23   28   31   36   40   45   46   50   52   54   55   56 
LCS_GDT     E   137_A     E   137_A     11   12   21     10   11   11   11   13   15   16   18   26   29   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   138_A     L   138_A     11   12   21     10   11   11   11   13   15   19   23   26   30   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     Y   139_A     Y   139_A     11   12   26     10   11   11   11   13   15   16   20   26   28   31   36   40   45   46   50   52   54   55   56 
LCS_GDT     N   140_A     N   140_A     11   12   26     10   11   11   11   13   15   16   18   21   25   29   33   36   38   43   45   49   52   55   56 
LCS_GDT     S   141_A     S   141_A     11   12   26     10   11   11   11   13   15   16   17   21   24   30   34   37   40   45   47   51   54   55   56 
LCS_GDT     Q   142_A     Q   142_A     11   12   26     10   11   11   11   13   15   16   19   22   28   31   35   39   43   46   50   52   54   55   56 
LCS_GDT     N   143_A     N   143_A     11   12   26      4   11   11   11   13   15   16   17   17   19   25   30   33   35   38   40   44   48   52   55 
LCS_GDT     H   147_A     H   147_A      4    7   26      3    3    4    6    9   13   16   17   17   19   20   22   24   26   28   33   37   40   46   52 
LCS_GDT     L   148_A     L   148_A      4    7   26      3    3    4    8   13   15   16   17   17   19   21   25   27   30   31   33   37   40   47   53 
LCS_GDT     S   149_A     S   149_A      4    6   26      3    4    4    9   13   15   16   17   17   19   21   25   28   30   31   32   32   33   36   38 
LCS_GDT     I   150_A     I   150_A      4    6   26      3    3    4    8   12   15   16   17   17   19   19   22   28   30   31   32   32   40   46   51 
LCS_GDT     E   151_A     E   151_A      3    5   26      1    3    5    6    9   13   15   17   17   20   23   26   28   30   31   34   38   42   50   54 
LCS_GDT     K   152_A     K   152_A      3    5   26      0    3    5    5    6    8    8   11   17   20   23   28   31   36   41   45   49   52   55   56 
LCS_GDT     L   153_A     L   153_A      3    3   26      0    3    5    7    9   12   16   20   26   30   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     I   154_A     I   154_A      3    3   26      0    3    3    4    9   11   16   20   26   29   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     A   155_A     A   155_A      7    7   29      4    6    7    7    9   11   16   20   26   29   31   36   40   45   46   50   52   54   55   56 
LCS_GDT     G   156_A     G   156_A      7    7   29      4    6    7    7    9   13   15   19   26   29   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   157_A     L   157_A      7    7   29      4    6    7    7    7    7    9   19   19   22   25   27   30   35   40   43   45   47   50   53 
LCS_GDT     A   158_A     A   158_A      7    7   29      4    6    7    7    7    8   14   19   19   22   24   27   30   33   37   41   45   47   48   52 
LCS_GDT     V   159_A     V   159_A      7    7   29      4    6    7    7    7    7    9   12   19   22   26   29   33   37   40   43   45   47   49   53 
LCS_GDT     R   160_A     R   160_A      7   13   29      4    6    8   11   13   14   16   18   21   22   26   29   33   37   41   43   45   47   50   53 
LCS_GDT     R   161_A     R   161_A      7   13   29      4    6    8   11   13   14   16   18   21   22   25   27   28   30   33   35   39   43   45   47 
LCS_GDT     K   162_A     K   162_A      6   13   29      4    6    7   11   13   14   16   18   21   22   25   27   28   30   33   35   39   43   45   50 
LCS_GDT     V   163_A     V   163_A      7   13   29      4    6    9   11   13   14   16   18   21   22   25   27   30   33   37   42   45   47   49   52 
LCS_GDT     C   164_A     C   164_A      7   13   29      4    6    9   11   13   14   16   18   21   22   25   27   28   30   31   32   32   35   38   41 
LCS_GDT     K   165_A     K   165_A      7   13   29      4    6    9   11   13   14   16   18   21   22   25   27   28   30   31   32   32   33   35   36 
LCS_GDT     L   166_A     L   166_A      7   13   29      4    6    9   11   13   14   16   18   21   22   25   27   28   30   31   32   32   36   40   41 
LCS_GDT     V   167_A     V   167_A      7   13   29      4    6    9   11   13   14   16   19   21   22   25   27   28   30   31   32   32   36   38   41 
LCS_GDT     Q   168_A     Q   168_A      7   13   29      3    6    9   11   13   14   16   18   21   22   25   27   28   30   31   32   32   33   34   34 
LCS_GDT     D   169_A     D   169_A      7   13   29      3    6    9   11   13   14   16   19   21   22   25   27   28   29   31   32   32   33   34   36 
LCS_GDT     G   170_A     G   170_A      7   14   29      3    6    8   11   12   14   15   19   20   21   23   26   28   30   31   32   32   35   39   40 
LCS_GDT     H   171_A     H   171_A      4   14   29      3    6    8   11   13   14   16   19   21   22   25   27   28   30   37   37   41   45   48   51 
LCS_GDT     I   172_A     I   172_A     12   14   29      3    6   12   13   13   14   18   20   24   29   33   34   39   41   45   48   50   53   55   55 
LCS_GDT     D   173_A     D   173_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     E   174_A     E   174_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     T   175_A     T   175_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     V   176_A     V   176_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     Y   177_A     Y   177_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     R   178_A     R   178_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     A   179_A     A   179_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     L   180_A     L   180_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   37   40   45   46   50   52   54   55   56 
LCS_GDT     D   181_A     D   181_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   35   40   42   45   50   52   54   55   56 
LCS_GDT     E   182_A     E   182_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   33   40   42   46   50   52   54   55   56 
LCS_GDT     M   183_A     M   183_A     12   14   29     11   12   12   14   15   15   19   23   26   31   33   33   40   42   45   50   52   54   55   56 
LCS_AVERAGE  LCS_A:  13.04  (   7.23    9.79   22.10 )

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     14     15     16     17     17     17     19     23     26     31     33     37     40     45     46     50     52     54     55     56 
GDT PERCENT_AT  11.11  11.90  12.70  13.49  13.49  13.49  15.08  18.25  20.63  24.60  26.19  29.37  31.75  35.71  36.51  39.68  41.27  42.86  43.65  44.44
GDT RMS_LOCAL    0.22   0.28   0.43   0.77   0.77   0.77   2.45   2.76   2.99   3.40   3.60   4.06   4.31   4.77   4.84   5.22   5.37   5.54   5.66   5.80
GDT RMS_ALL_AT  25.38  25.11  24.44  24.80  24.80  24.80  15.63  15.61  15.62  15.59  15.62  14.94  14.84  14.81  14.88  15.12  14.96  15.10  15.03  15.19

# Checking swapping
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   118_A      D   118_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   173_A      D   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    86_A      E    86_A    40.704     0    0.107   1.362    44.923    0.000    0.000
LGA    A    87_A      A    87_A    40.508     0    0.074   0.073    42.321    0.000    0.000
LGA    L    88_A      L    88_A    36.136     0    0.000   1.424    38.007    0.000    0.000
LGA    E    89_A      E    89_A    33.026     0    0.047   0.974    34.613    0.000    0.000
LGA    R    90_A      R    90_A    33.577     0    0.108   1.379    42.046    0.000    0.000
LGA    S    91_A      S    91_A    32.484     0    0.231   0.738    35.389    0.000    0.000
LGA    I    92_A      I    92_A    26.679     0    0.218   1.417    29.064    0.000    0.000
LGA    T    93_A      T    93_A    24.184     0    0.026   0.067    25.541    0.000    0.000
LGA    A    94_A      A    94_A    24.321     0    0.105   0.123    25.635    0.000    0.000
LGA    L    95_A      L    95_A    23.637     0    0.046   0.097    27.071    0.000    0.000
LGA    A    96_A      A    96_A    19.834     0    0.000   0.045    21.298    0.000    0.000
LGA    A    97_A      A    97_A    18.508     0    0.131   0.140    19.209    0.000    0.000
LGA    M    98_A      M    98_A    19.952     0    0.053   1.150    26.833    0.000    0.000
LGA    T    99_A      T    99_A    19.280     0    0.117   0.120    22.110    0.000    0.000
LGA    G   100_A      G   100_A    14.442     0    0.303   0.303    15.970    0.000    0.000
LGA    H   101_A      H   101_A     8.167     5    0.507   0.550    10.674    9.762    4.048
LGA    A   102_A      A   102_A     3.931     0    0.597   0.547     5.694   36.310   36.476
LGA    P   103_A      P   103_A     6.301     0    0.085   0.100     9.230   24.048   16.054
LGA    S   104_A      S   104_A     4.808     0    0.053   0.094     5.983   39.048   34.841
LGA    S   105_A      S   105_A     2.131     0    0.060   0.186     4.828   66.905   57.063
LGA    I   106_A      I   106_A     3.653     0    0.043   0.117     8.738   53.810   32.500
LGA    K   107_A      K   107_A     4.173     0    0.046   0.751    12.728   46.786   24.127
LGA    E   108_A      E   108_A     4.069     3    0.023   0.061     7.360   45.357   23.651
LGA    E   109_A      E   109_A     3.876     0    0.043   0.628     9.822   50.238   27.831
LGA    C   110_A      C   110_A     3.084     0    0.035   0.041     6.957   63.095   49.524
LGA    V   111_A      V   111_A     3.253     0    0.051   0.119     6.998   57.500   40.408
LGA    E   112_A      E   112_A     4.960     0    0.108   0.634    11.475   37.500   18.519
LGA    L   113_A      L   113_A     4.436     0    0.043   0.098     9.400   43.452   26.190
LGA    I   114_A      I   114_A     2.339     0    0.068   0.089     7.327   75.119   48.810
LGA    D   115_A      D   115_A     3.855     0    0.152   0.909     7.561   45.714   29.762
LGA    K   116_A      K   116_A     5.382     2    0.281   0.647    10.488   32.976   16.296
LGA    L   117_A      L   117_A     3.522     0    0.668   0.661     7.012   55.714   39.702
LGA    D   118_A      D   118_A     3.638     0    0.598   1.259     8.634   43.452   26.905
LGA    W   119_A      W   119_A     6.348     0    0.615   1.355    13.869   26.667    7.891
LGA    L   120_A      L   120_A     5.331     0    0.629   0.557     7.530   27.738   22.321
LGA    R   121_A      R   121_A     6.902     0    0.643   0.953     9.071   10.238    6.970
LGA    V   122_A      V   122_A    10.689     0    0.571   0.549    14.775    0.357    0.204
LGA    E   123_A      E   123_A     8.767     4    0.374   0.375    11.470   10.952    4.868
LGA    N   124_A      N   124_A     6.502     0    0.183   0.209    12.275   18.929   10.119
LGA    D   125_A      D   125_A     5.202     0    0.618   1.277     8.483   25.000   16.131
LGA    V   126_A      V   126_A     9.080     0    0.643   0.589    12.950    2.857    1.701
LGA    I   127_A      I   127_A    10.649     0    0.633   0.984    12.478    0.357    2.321
LGA    Q   128_A      Q   128_A    12.032     0    0.111   1.093    13.288    0.000    1.217
LGA    Y   129_A      Y   129_A    17.071     0    0.121   1.350    27.255    0.000    0.000
LGA    P   130_A      P   130_A    15.219     0    0.656   0.603    16.993    0.000    0.000
LGA    T   131_A      T   131_A     9.696     0    0.594   0.549    11.537    0.238    2.245
LGA    L   132_A      L   132_A     9.435     0    0.577   0.536    12.120    1.786    0.952
LGA    S   133_A      S   133_A     9.421     0    0.583   0.565    10.018    1.548    1.270
LGA    K   134_A      K   134_A     5.588     4    0.063   0.065     6.997   16.310   12.063
LGA    L   135_A      L   135_A    10.161     0    0.000   1.360    14.773    1.190    0.595
LGA    L   136_A      L   136_A    14.596     0    0.030   1.277    18.741    0.000    0.000
LGA    E   137_A      E   137_A    12.745     4    0.096   0.098    12.998    0.000    0.000
LGA    L   138_A      L   138_A     9.575     3    0.028   0.025    12.197    0.119    0.655
LGA    Y   139_A      Y   139_A    16.079     0    0.059   1.373    27.471    0.000    0.000
LGA    N   140_A      N   140_A    19.408     0    0.039   0.824    22.455    0.000    0.000
LGA    S   141_A      S   141_A    16.360     0    0.137   0.146    16.715    0.000    0.000
LGA    Q   142_A      Q   142_A    18.040     4    0.137   0.130    20.943    0.000    0.000
LGA    N   143_A      N   143_A    23.864     3    0.053   0.070    24.600    0.000    0.000
LGA    H   147_A      H   147_A    21.031     0    0.030   0.341    22.684    0.000    0.000
LGA    L   148_A      L   148_A    20.371     0    0.099   0.128    21.047    0.000    0.000
LGA    S   149_A      S   149_A    22.487     0    0.044   0.585    25.075    0.000    0.000
LGA    I   150_A      I   150_A    17.591     0    0.616   1.551    19.648    0.000    0.000
LGA    E   151_A      E   151_A    14.869     0    0.603   1.428    16.167    0.000    0.000
LGA    K   152_A      K   152_A    13.175     0    0.635   1.038    18.382    0.357    0.159
LGA    L   153_A      L   153_A     7.092     0    0.602   1.405     9.392    7.976    9.226
LGA    I   154_A      I   154_A     6.926     0    0.580   1.525    10.303   12.976    8.929
LGA    A   155_A      A   155_A    10.642     0    0.627   0.604    12.631    0.357    0.286
LGA    G   156_A      G   156_A     9.757     0    0.033   0.033    12.865    0.476    0.476
LGA    L   157_A      L   157_A    14.737     0    0.075   0.103    17.790    0.000    0.000
LGA    A   158_A      A   158_A    17.869     0    0.202   0.209    20.704    0.000    0.000
LGA    V   159_A      V   159_A    17.361     0    0.293   1.176    18.011    0.000    0.000
LGA    R   160_A      R   160_A    17.284     0    0.557   1.473    19.058    0.000    0.000
LGA    R   161_A      R   161_A    23.039     0    0.105   0.691    33.908    0.000    0.000
LGA    K   162_A      K   162_A    20.481     0    0.054   0.508    24.241    0.000    0.000
LGA    V   163_A      V   163_A    15.574     0    0.019   0.136    17.211    0.000    0.000
LGA    C   164_A      C   164_A    21.086     0    0.041   0.046    23.271    0.000    0.000
LGA    K   165_A      K   165_A    24.289     0    0.102   1.160    33.239    0.000    0.000
LGA    L   166_A      L   166_A    17.838     0    0.181   1.107    20.065    0.000    0.000
LGA    V   167_A      V   167_A    15.305     0    0.035   0.908    17.478    0.000    0.000
LGA    Q   168_A      Q   168_A    21.410     0    0.078   1.028    27.616    0.000    0.000
LGA    D   169_A      D   169_A    19.625     0    0.161   0.915    25.084    0.000    0.000
LGA    G   170_A      G   170_A    11.993     0    0.127   0.127    14.771    1.190    1.190
LGA    H   171_A      H   171_A     9.677     0    0.061   1.004    15.441    4.405    1.762
LGA    I   172_A      I   172_A     4.862     0    0.187   0.697     8.350   36.190   31.905
LGA    D   173_A      D   173_A     1.684     0    0.172   1.032     2.883   73.214   69.048
LGA    E   174_A      E   174_A     1.136     4    0.061   0.063     1.266   81.429   45.238
LGA    T   175_A      T   175_A     1.059     0    0.034   0.170     1.531   85.952   84.082
LGA    V   176_A      V   176_A     0.731     0    0.054   0.138     1.362   90.476   86.599
LGA    Y   177_A      Y   177_A     0.709     7    0.055   0.062     1.135   88.214   36.944
LGA    R   178_A      R   178_A     0.948     0    0.048   1.336     8.448   85.952   50.476
LGA    A   179_A      A   179_A     1.166     0    0.033   0.040     1.459   81.429   81.429
LGA    L   180_A      L   180_A     1.389     0    0.040   1.428     4.445   77.143   65.060
LGA    D   181_A      D   181_A     1.681     0    0.033   0.124     2.233   70.833   79.524
LGA    E   182_A      E   182_A     2.328     0    0.039   0.192     2.676   62.857   63.915
LGA    M   183_A      M   183_A     2.616     0    0.072   1.094     5.887   59.048   52.321

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       95     380    380  100.00     710    710  100.00               126
SUMMARY(RMSD_GDC):    13.998         13.819                 15.104           15.012   11.213

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   98  126    4.0     23    2.75    20.833    17.478     0.807

LGA_LOCAL      RMSD:   2.750  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.802  Number of assigned atoms:   95 
Std_ASGN_ATOMS RMSD:  13.998  Standard rmsd on all 95 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.931576 * X  +  -0.139952 * Y  +   0.335529 * Z  + 123.132607
  Y_new =   0.331311 * X  +  -0.706771 * Y  +   0.625066 * Z  +  -2.402208
  Z_new =   0.149663 * X  +   0.693461 * Y  +   0.704779 * Z  + -200.152039 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.799897 -0.150228  0.777304   [DEG:  160.4223   -8.6074   44.5362 ]
ZXZ:  2.648948  0.788685  0.212561   [DEG:  151.7735   45.1883   12.1788 ]
 
# END of job
