
#######################################################
#                                                     #
#                        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  104 (  806),  selected  104 , name one
# Molecule2: number of CA atoms  345 ( 2795),  selected  104 , 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:    56     156_A - 211_A       4.59     6.42
  LCS_AVERAGE:     14.21

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     168_A - 198_A       1.89     6.50
  LONGEST_CONTINUOUS_SEGMENT:    31     169_A - 199_A       1.81     6.55
  LONGEST_CONTINUOUS_SEGMENT:    31     170_A - 200_A       1.91     6.81
  LCS_AVERAGE:      5.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25     173_A - 197_A       0.99     6.75
  LCS_AVERAGE:      3.37

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     N   108_A     N   108_A      3    4   43      0    3    3    4    4    5    7    7    9   10   17   19   21   23   34   48   66   69   73   80 
LCS_GDT     F   109_A     F   109_A      3    6   43      0    3    3    4    5   10   21   25   29   45   58   63   70   75   81   84   87   91   94   96 
LCS_GDT     K   110_A     K   110_A      3    6   43      3    3    4   11   16   25   32   53   66   77   80   84   86   88   90   92   93   94   95   96 
LCS_GDT     Y   111_A     Y   111_A      3   13   43      3    7   24   31   47   62   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   112_A     I   112_A     10   13   43      3   31   53   59   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   113_A     S   113_A     10   13   43      5   35   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     F   114_A     F   114_A     10   13   43      5   36   53   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     H   115_A     H   115_A     10   13   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     P   116_A     P   116_A     10   13   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   117_A     G   117_A     10   13   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   118_A     V   118_A     10   13   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     D   119_A     D   119_A     10   13   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   120_A     I   120_A     10   13   43     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     N   121_A     N   121_A     10   13   43      5   41   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     Y   122_A     Y   122_A      4   13   43      3    3    4   11   21   59   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   123_A     G   123_A      4   13   43      3    4   11   23   29   45   63   71   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   124_A     S   124_A      3   13   43      3    3    4    6   11   15   26   34   48   63   79   84   87   90   91   92   93   94   95   96 
LCS_GDT     E   125_A     E   125_A      3    5   43      3    3    4   15   24   41   59   68   74   78   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     N   126_A     N   126_A      4    7   43      3    3    7   25   37   59   67   71   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     Q   127_A     Q   127_A      4    7   43      3    3    4    6   10   23   33   53   73   78   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     D   128_A     D   128_A      4    7   43      3    3    4    6   10   15   33   45   66   78   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     F   129_A     F   129_A      4   17   43      4   17   26   50   59   65   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   130_A     G   130_A     13   17   43      7   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     L   131_A     L   131_A     13   17   43     13   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     P   132_A     P   132_A     13   17   43     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   133_A     V   133_A     13   17   43      9   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     Y   134_A     Y   134_A     13   17   43     13   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   135_A     A   135_A     13   17   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   136_A     V   136_A     13   17   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     T   137_A     T   137_A     13   17   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     D   138_A     D   138_A     13   17   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   139_A     G   139_A     13   17   43     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   140_A     V   140_A     13   17   43     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   141_A     V   141_A     13   17   43     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   142_A     I   142_A     13   17   43      3    9   28   53   60   65   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     N   143_A     N   143_A     11   17   43      3    9   16   36   55   63   68   70   74   78   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   144_A     A   144_A      4   17   43      3    4    6   53   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   145_A     S   145_A      4   17   43      3   12   52   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     R   146_A     R   146_A      4    8   43      3    3    4   10   23   29   34   48   74   77   80   83   86   90   91   92   93   94   95   96 
LCS_GDT     H   147_A     H   147_A      6    8   43      3    5    7   14   49   63   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     F   148_A     F   148_A      6    7   43      3    5    6   11   25   63   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     C   149_A     C   149_A      6    7   43      3    5    6    7   21   49   62   69   76   77   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   150_A     S   150_A      6    7   43      3    5    6    7    7    7   11   19   34   58   69   78   84   89   91   92   93   94   95   96 
LCS_GDT     A   151_A     A   151_A      6    7   43      3    5    6    7    7    7    8    8    8   10   10   15   18   20   29   49   63   80   90   93 
LCS_GDT     S   152_A     S   152_A      6    7   42      3    4    6    7    7    7    8    8    8   10   13   15   17   17   18   33   43   51   56   67 
LCS_GDT     C   153_A     C   153_A      4    7   10      3    4    5    5    5    7    8    8   15   17   20   20   24   28   38   41   48   58   62   67 
LCS_GDT     D   154_A     D   154_A      4    5   10      3    4    5    5    5    5   11   13   15   16   20   20   23   28   33   41   43   53   62   67 
LCS_GDT     C   155_A     C   155_A      4    5   10      3    4    5    5    5    5    7    7    8    9   10   20   21   24   28   33   43   45   52   59 
LCS_GDT     S   156_A     S   156_A      3    5   56      3    3    4    5    5    5    7   13   15   17   20   20   24   33   38   43   51   58   62   71 
LCS_GDT     G   157_A     G   157_A      3    4   56      3    3    4    5    5    5    7    7   17   18   29   32   42   49   58   66   72   82   92   94 
LCS_GDT     F   158_A     F   158_A      3    4   56      1    3    4    5    5    8   22   43   66   73   79   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   159_A     V   159_A      5    6   56      5   29   42   59   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   160_A     A   160_A      5    6   56      4   29   50   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   161_A     V   161_A      5    6   56      8   32   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     E   162_A     E   162_A      5    6   56      5   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     H   163_A     H   163_A      5    6   56      4    8   24   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     R   164_A     R   164_A      4    6   56      3    5   13   19   39   64   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     C   165_A     C   165_A      4    6   56      3    3    8   11   14   18   21   37   41   46   52   59   77   85   87   89   90   94   95   96 
LCS_GDT     Q   166_A     Q   166_A      4    5   56      3    3    4    5    6    9   23   28   33   39   48   76   81   85   87   87   90   93   95   96 
LCS_GDT     N   167_A     N   167_A      4    7   56      3    3    4    7   16   21   41   67   72   77   79   84   85   89   90   92   93   94   95   96 
LCS_GDT     K   168_A     K   168_A      4   31   56      3    4    5   20   42   62   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   169_A     I   169_A      4   31   56      3    4    4   20   37   61   67   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     F   170_A     F   170_A      9   31   56      9   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     Y   171_A     Y   171_A      9   31   56      9   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   172_A     A   172_A      9   31   56      6   39   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     L   173_A     L   173_A     25   31   56      6   32   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     Y   174_A     Y   174_A     25   31   56     12   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   175_A     G   175_A     25   31   56     15   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     H   176_A     H   176_A     25   31   56     12   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   177_A     V   177_A     25   31   56     15   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   178_A     V   178_A     25   31   56      3   18   52   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     P   179_A     P   179_A     25   31   56      3    5    9   53   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     E   180_A     E   180_A     25   31   56      3    8   14   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   181_A     A   181_A     25   31   56     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     N   182_A     N   182_A     25   31   56      9   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   183_A     I   183_A     25   31   56      9   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   184_A     G   184_A     25   31   56     13   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     K   185_A     K   185_A     25   31   56     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     K   186_A     K   186_A     25   31   56     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     V   187_A     V   187_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     K   188_A     K   188_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   189_A     A   189_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   190_A     G   190_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     E   191_A     E   191_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     R   192_A     R   192_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   193_A     I   193_A     25   31   56      9   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     A   194_A     A   194_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   195_A     S   195_A     25   31   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   196_A     I   196_A     25   31   56     10   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     G   197_A     G   197_A     25   31   56     11   43   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     E   198_A     E   198_A     19   31   56      4   17   50   59   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     Y   199_A     Y   199_A      5   31   56      4    7   13   29   43   61   66   71   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     K   200_A     K   200_A      7   31   56      3    3    8   11   18   28   40   53   67   74   79   81   85   90   91   92   93   94   95   96 
LCS_GDT     C   201_A     C   201_A      7   18   56      3    6   11   18   33   44   61   66   74   77   79   82   86   90   91   92   93   94   95   96 
LCS_GDT     N   202_A     N   202_A      7   18   56      3    6   15   34   57   62   66   71   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   203_A     S   203_A      7   18   56      3    8   20   40   57   63   67   71   76   78   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     T   204_A     T   204_A      8   18   56      8   13   32   59   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     S   205_A     S   205_A      8   18   56     12   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     H   206_A     H   206_A      8   18   56     13   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     L   207_A     L   207_A      8   18   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     H   208_A     H   208_A      8   18   56     20   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     L   209_A     L   209_A      8   18   56     12   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     E   210_A     E   210_A      8   18   56     12   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_GDT     I   211_A     I   211_A      8   11   56     19   44   54   60   64   66   68   72   76   79   82   84   87   90   91   92   93   94   95   96 
LCS_AVERAGE  LCS_A:   7.59  (   3.37    5.19   14.21 )

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     20     44     54     60     64     66     68     72     76     79     82     84     87     90     91     92     93     94     95     96 
GDT PERCENT_AT   5.80  12.75  15.65  17.39  18.55  19.13  19.71  20.87  22.03  22.90  23.77  24.35  25.22  26.09  26.38  26.67  26.96  27.25  27.54  27.83
GDT RMS_LOCAL    0.37   0.65   0.83   1.01   1.18   1.27   1.43   1.90   2.01   2.32   2.48   2.70   3.00   3.22   3.32   3.43   3.57   3.73   3.89   4.10
GDT RMS_ALL_AT   6.61   6.56   6.56   6.57   6.54   6.55   6.57   6.41   6.57   6.39   6.41   6.34   6.30   6.34   6.32   6.29   6.24   6.23   6.23   6.20

# Checking swapping
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  F   114_A      F   114_A
#   possible swapping detected:  Y   122_A      Y   122_A
#   possible swapping detected:  E   125_A      E   125_A
#   possible swapping detected:  F   129_A      F   129_A
#   possible swapping detected:  Y   134_A      Y   134_A
#   possible swapping detected:  F   148_A      F   148_A
#   possible swapping detected:  F   158_A      F   158_A
#   possible swapping detected:  E   162_A      E   162_A
#   possible swapping detected:  F   170_A      F   170_A
#   possible swapping detected:  E   180_A      E   180_A
#   possible swapping detected:  Y   199_A      Y   199_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N   108_A      N   108_A    20.832     0    0.609   0.664    27.243    0.000    0.000
LGA    F   109_A      F   109_A    14.620     0    0.503   1.304    20.494    0.000    0.000
LGA    K   110_A      K   110_A    10.531     0    0.592   1.300    12.357    1.429    0.794
LGA    Y   111_A      Y   111_A     5.285     0    0.256   1.108     7.272   30.714   22.183
LGA    I   112_A      I   112_A     1.321     0    0.155   0.553     3.499   73.214   68.214
LGA    S   113_A      S   113_A     1.308     0    0.236   0.671     2.381   88.214   81.746
LGA    F   114_A      F   114_A     0.945     0    0.326   1.090     3.781   90.595   77.792
LGA    H   115_A      H   115_A     0.798     0    0.040   1.067     2.777   90.476   83.571
LGA    P   116_A      P   116_A     0.684     0    0.467   0.534     2.197   86.071   81.769
LGA    G   117_A      G   117_A     0.740     0    0.081   0.081     1.227   88.214   88.214
LGA    V   118_A      V   118_A     0.729     0    0.068   0.217     0.959   90.476   90.476
LGA    D   119_A      D   119_A     0.835     0    0.084   0.180     1.066   90.476   89.345
LGA    I   120_A      I   120_A     0.516     0    0.109   0.251     1.527   92.857   87.202
LGA    N   121_A      N   121_A     1.280     0    0.141   1.076     2.632   73.452   73.393
LGA    Y   122_A      Y   122_A     4.744     0    0.532   1.329     9.951   27.500   16.508
LGA    G   123_A      G   123_A     5.619     0    0.182   0.182     7.519   18.333   18.333
LGA    S   124_A      S   124_A     9.016     0    0.544   0.495    11.020    4.524    3.016
LGA    E   125_A      E   125_A     7.302     0    0.288   0.960    11.633   11.071    5.397
LGA    N   126_A      N   126_A     5.160     0    0.381   0.872     7.823   23.810   19.405
LGA    Q   127_A      Q   127_A     8.375     0    0.097   0.785    10.012    5.595    2.804
LGA    D   128_A      D   128_A     8.219     0    0.710   0.655    11.899   10.000    5.357
LGA    F   129_A      F   129_A     3.765     0    0.036   1.345     5.570   41.310   47.100
LGA    G   130_A      G   130_A     1.487     0    0.596   0.596     1.487   83.690   83.690
LGA    L   131_A      L   131_A     0.708     0    0.098   0.385     3.035   90.595   81.071
LGA    P   132_A      P   132_A     0.812     0    0.027   0.306     1.308   90.476   86.599
LGA    V   133_A      V   133_A     0.812     0    0.051   1.169     3.019   90.476   80.884
LGA    Y   134_A      Y   134_A     0.762     0    0.052   0.205     1.009   90.476   89.722
LGA    A   135_A      A   135_A     0.728     0    0.023   0.049     0.769   90.476   90.476
LGA    V   136_A      V   136_A     0.657     0    0.022   1.194     3.044   90.476   79.932
LGA    T   137_A      T   137_A     0.815     0    0.030   0.135     0.907   90.476   90.476
LGA    D   138_A      D   138_A     0.822     0    0.065   0.321     2.326   90.476   85.000
LGA    G   139_A      G   139_A     0.826     0    0.047   0.047     0.840   90.476   90.476
LGA    V   140_A      V   140_A     1.053     0    0.051   0.192     1.504   81.548   81.497
LGA    V   141_A      V   141_A     1.164     0    0.179   1.031     3.434   79.286   75.714
LGA    I   142_A      I   142_A     3.646     0    0.651   1.019     6.714   43.810   34.821
LGA    N   143_A      N   143_A     4.418     0    0.116   1.379    10.112   35.952   21.786
LGA    A   144_A      A   144_A     2.552     0    0.063   0.084     4.090   62.976   57.810
LGA    S   145_A      S   145_A     1.979     0    0.069   0.616     4.859   54.762   59.603
LGA    R   146_A      R   146_A     6.929     0    0.703   1.603    16.043   20.833    7.706
LGA    H   147_A      H   147_A     5.059     0    0.554   1.577    10.875   30.476   15.667
LGA    F   148_A      F   148_A     4.598     0    0.045   1.501     6.232   39.405   27.619
LGA    C   149_A      C   149_A     5.667     0    0.668   1.162     8.082   19.762   15.159
LGA    S   150_A      S   150_A     8.168     0    0.148   0.368    11.251    4.524    3.095
LGA    A   151_A      A   151_A    13.917     0    0.452   0.577    15.755    0.000    0.000
LGA    S   152_A      S   152_A    17.689     0    0.535   0.929    19.959    0.000    0.000
LGA    C   153_A      C   153_A    18.463     0    0.055   0.122    20.041    0.000    0.000
LGA    D   154_A      D   154_A    18.358     0    0.248   0.670    19.791    0.000    0.000
LGA    C   155_A      C   155_A    19.241     0    0.234   0.775    21.104    0.000    0.000
LGA    S   156_A      S   156_A    17.833     0    0.103   0.465    18.222    0.000    0.000
LGA    G   157_A      G   157_A    14.699     0    0.579   0.579    15.652    0.000    0.000
LGA    F   158_A      F   158_A     7.655     0    0.243   1.345     9.975   10.595   11.126
LGA    V   159_A      V   159_A     2.445     0    0.621   0.806     4.711   57.381   52.585
LGA    A   160_A      A   160_A     2.226     0    0.130   0.219     2.415   64.762   64.762
LGA    V   161_A      V   161_A     1.695     0    0.065   1.161     4.337   75.000   65.578
LGA    E   162_A      E   162_A     0.831     0    0.049   0.571     2.978   85.952   80.794
LGA    H   163_A      H   163_A     2.174     0    0.565   0.536     4.238   59.524   51.190
LGA    R   164_A      R   164_A     4.504     0    0.185   1.393     8.175   22.381   32.121
LGA    C   165_A      C   165_A    10.514     0    0.331   0.639    13.514    1.905    1.270
LGA    Q   166_A      Q   166_A    11.850     0    0.345   1.329    19.316    0.000    0.000
LGA    N   167_A      N   167_A     8.273     0    0.608   1.335     9.787    5.833    4.762
LGA    K   168_A      K   168_A     5.496     0    0.114   0.892     6.314   23.929   37.460
LGA    I   169_A      I   169_A     5.200     0    0.066   1.302    12.145   36.429   20.417
LGA    F   170_A      F   170_A     1.497     0    0.283   1.215     5.449   77.262   55.065
LGA    Y   171_A      Y   171_A     1.598     0    0.077   0.226     2.583   75.000   70.238
LGA    A   172_A      A   172_A     2.036     0    0.053   0.060     2.036   68.810   68.000
LGA    L   173_A      L   173_A     2.013     0    0.097   1.050     5.976   68.810   54.524
LGA    Y   174_A      Y   174_A     0.823     0    0.142   0.209     1.773   85.952   82.262
LGA    G   175_A      G   175_A     0.745     0    0.135   0.135     0.745   90.476   90.476
LGA    H   176_A      H   176_A     1.069     0    0.125   0.716     3.554   85.952   75.476
LGA    V   177_A      V   177_A     0.697     0    0.082   0.162     1.522   83.810   88.027
LGA    V   178_A      V   178_A     1.863     0    0.380   1.025     3.646   71.071   67.687
LGA    P   179_A      P   179_A     2.742     0    0.109   0.231     5.871   59.286   46.735
LGA    E   180_A      E   180_A     2.342     0    0.514   1.292     8.653   75.119   40.423
LGA    A   181_A      A   181_A     0.971     0    0.186   0.229     1.583   83.810   83.333
LGA    N   182_A      N   182_A     1.112     0    0.087   0.213     1.758   81.548   78.274
LGA    I   183_A      I   183_A     1.191     0    0.033   1.124     3.658   83.690   70.000
LGA    G   184_A      G   184_A     0.669     0    0.129   0.129     1.148   88.214   88.214
LGA    K   185_A      K   185_A     0.804     0    0.044   0.565     2.119   90.476   85.608
LGA    K   186_A      K   186_A     0.949     0    0.110   0.926     2.653   90.476   81.058
LGA    V   187_A      V   187_A     0.721     0    0.034   0.163     1.008   90.476   89.184
LGA    K   188_A      K   188_A     1.154     0    0.099   1.247     3.938   83.690   70.317
LGA    A   189_A      A   189_A     1.220     0    0.433   0.509     2.917   75.357   74.857
LGA    G   190_A      G   190_A     1.194     0    0.085   0.085     1.678   83.810   83.810
LGA    E   191_A      E   191_A     1.056     0    0.048   0.845     2.212   85.952   78.730
LGA    R   192_A      R   192_A     0.503     0    0.019   0.522     1.799   92.857   89.004
LGA    I   193_A      I   193_A     0.837     0    0.145   0.355     2.758   92.857   77.917
LGA    A   194_A      A   194_A     0.575     0    0.091   0.112     0.754   95.238   94.286
LGA    S   195_A      S   195_A     0.362     0    0.077   0.674     1.680   97.619   92.302
LGA    I   196_A      I   196_A     1.030     0    0.114   1.215     4.102   83.690   72.798
LGA    G   197_A      G   197_A     1.530     0    0.097   0.097     2.658   69.048   69.048
LGA    E   198_A      E   198_A     3.148     0    0.585   0.587     5.314   53.690   43.439
LGA    Y   199_A      Y   199_A     5.080     0    0.294   1.007    11.671   20.952    8.849
LGA    K   200_A      K   200_A     8.851     0    0.590   1.058    16.325    6.429    2.857
LGA    C   201_A      C   201_A     7.723     0    0.443   0.874     8.074    8.095    9.048
LGA    N   202_A      N   202_A     5.261     0    0.052   0.771     6.654   23.810   23.036
LGA    S   203_A      S   203_A     5.684     0    0.080   0.577     5.695   25.119   25.556
LGA    T   204_A      T   204_A     3.477     0    0.172   0.969     3.832   55.714   53.333
LGA    S   205_A      S   205_A     1.305     0    0.018   0.047     1.952   77.143   80.079
LGA    H   206_A      H   206_A     0.569     0    0.031   0.223     1.702   95.238   88.810
LGA    L   207_A      L   207_A     0.444     0    0.053   0.149     1.419   95.238   91.726
LGA    H   208_A      H   208_A     1.118     0    0.106   1.110     2.963   81.548   74.857
LGA    L   209_A      L   209_A     1.269     0    0.089   0.197     1.412   83.690   82.560
LGA    E   210_A      E   210_A     1.337     0    0.072   0.754     2.615   79.286   71.376
LGA    I   211_A      I   211_A     0.804     0    0.285   0.699     3.081   86.071   76.786

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     806    806  100.00               345
SUMMARY(RMSD_GDC):     6.060          5.972                  6.564           17.263   15.923

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  104  345    4.0     72    1.90    19.420    16.390     3.600

LGA_LOCAL      RMSD:   1.900  Number of atoms:   72  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.411  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   6.060  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.391796 * X  +  -0.093988 * Y  +   0.915239 * Z  +  38.134045
  Y_new =  -0.470268 * X  +   0.875463 * Y  +  -0.111410 * Z  +  15.953487
  Z_new =  -0.790787 * X  +  -0.474058 * Y  +  -0.387202 * Z  +  41.789165 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.265416  0.912094 -2.255687   [DEG: -129.7988   52.2591 -129.2413 ]
ZXZ:  1.449665  1.968391 -2.110830   [DEG:   83.0597  112.7805 -120.9417 ]
 
# END of job
