
#######################################################
#                                                     #
#                        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   97 (  798),  selected   97 , name one
# Molecule2: number of CA atoms  260 ( 2069),  selected   97 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      57_B - 124_B       4.83    19.81
  LCS_AVERAGE:     21.99

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      57_B - 109_B       1.93    22.51
  LCS_AVERAGE:     14.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      62_B - 105_B       0.98    23.01
  LONGEST_CONTINUOUS_SEGMENT:    44      63_B - 106_B       0.99    23.09
  LCS_AVERAGE:     11.06

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     H    57_B     H    57_B     38   53   68      7   17   28   37   43   45   49   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L    58_B     L    58_B     40   53   68     14   25   35   38   44   47   50   52   55   57   57   59   60   61   62   64   65   66   67   68 
LCS_GDT     I    59_B     I    59_B     40   53   68     14   28   35   39   44   47   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     T    60_B     T    60_B     42   53   68     14   29   35   42   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     E    61_B     E    61_B     42   53   68     14   29   37   42   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     Y    62_B     Y    62_B     44   53   68     14   29   39   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     A    63_B     A    63_B     44   53   68     14   31   39   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     W    64_B     W    64_B     44   53   68     14   30   39   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     V    65_B     V    65_B     44   53   68     14   31   39   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     Q    66_B     Q    66_B     44   53   68     14   34   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     V    67_B     V    67_B     44   53   68     14   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     H    68_B     H    68_B     44   53   68     14   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     Y    69_B     Y    69_B     44   53   68     14   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     E    70_B     E    70_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L    71_B     L    71_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     R    72_B     R    72_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     R    73_B     R    73_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     A    74_B     A    74_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     I    75_B     I    75_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     G    76_B     G    76_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     H    77_B     H    77_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L    78_B     L    78_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     D    79_B     D    79_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     E    80_B     E    80_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     D    81_B     D    81_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     R    82_B     R    82_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     Y    83_B     Y    83_B     44   53   68      9   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     H    84_B     H    84_B     44   53   68      8   31   40   43   45   48   50   52   55   57   57   59   60   61   63   65   66   67   67   68 
LCS_GDT     Q    85_B     Q    85_B     44   53   68      7   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     A    86_B     A    86_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     V    87_B     V    87_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     R    88_B     R    88_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     M    89_B     M    89_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     F    90_B     F    90_B     44   53   68     15   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     D    91_B     D    91_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     R    92_B     R    92_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     A    93_B     A    93_B     44   53   68     14   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     T    94_B     T    94_B     44   53   68      9   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     G    95_B     G    95_B     44   53   68     11   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L    96_B     L    96_B     44   53   68     20   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     S    97_B     S    97_B     44   53   68     11   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     E    98_B     E    98_B     44   53   68     11   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     V    99_B     V    99_B     44   53   68      9   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     T   100_B     T   100_B     44   53   68     13   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     V   101_B     V   101_B     44   53   68     10   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     Q   102_B     Q   102_B     44   53   68      8   24   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     A   103_B     A   103_B     44   53   68      8   29   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     V   104_B     V   104_B     44   53   68      9   35   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     R   105_B     R   105_B     44   53   68      9   26   40   43   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L   106_B     L   106_B     44   53   68      7   21   31   41   45   48   49   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L   107_B     L   107_B     43   53   68      0    4   17   37   45   48   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     T   108_B     T   108_B      5   53   68      4    4    4    5    8   15   31   49   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     D   109_B     D   109_B      5   53   68      4    4    4    5    7   10   15   29   35   40   55   58   59   61   63   65   66   67   67   68 
LCS_GDT     H   110_B     H   110_B      5   52   68      4    4    4    5    5    8   11   14   17   54   55   57   59   61   62   65   66   67   67   68 
LCS_GDT     L   111_B     L   111_B      5   52   68      4    4    7   15   32   47   50   52   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     P   112_B     P   112_B     12   14   68      3    7   12   12   13   13   23   51   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     Q   113_B     Q   113_B     12   14   68      8   11   12   14   21   25   32   46   53   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     H   114_B     H   114_B     12   14   68      8   11   12   14   24   38   47   50   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     S   115_B     S   115_B     12   14   68      8   11   12   16   25   36   46   50   55   57   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L   116_B     L   116_B     12   14   68      8   11   12   16   22   26   33   41   49   56   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     L   117_B     L   117_B     12   14   68      8   11   12   16   22   26   32   37   48   53   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     M   118_B     M   118_B     12   14   68      8   11   12   16   22   26   33   39   48   53   58   59   60   61   63   65   66   67   67   68 
LCS_GDT     M   119_B     M   119_B     12   14   68      8   11   12   16   22   26   32   37   42   49   53   56   59   61   63   65   66   67   67   68 
LCS_GDT     R   120_B     R   120_B     12   14   68      8   11   12   16   22   25   32   36   41   44   52   55   57   61   63   65   66   67   67   68 
LCS_GDT     N   121_B     N   121_B     12   14   68      8   11   12   16   22   25   32   36   41   44   52   55   57   61   63   65   66   67   67   68 
LCS_GDT     A   122_B     A   122_B     12   14   68      4   11   12   14   20   24   32   36   39   42   46   52   57   58   61   65   66   67   67   68 
LCS_GDT     L   123_B     L   123_B     12   14   68      4   11   12   12   19   24   32   36   39   41   44   50   53   58   61   62   66   67   67   68 
LCS_GDT     P   124_B     P   124_B      4   14   68      3    4    4    9   13   13   22   29   37   40   43   48   51   58   61   62   64   67   67   68 
LCS_GDT     E   125_B     E   125_B      4   14   64      3    4    4    5    7   12   14   14   20   27   34   40   44   44   48   51   57   59   63   63 
LCS_GDT     D   126_B     D   126_B      4    5   54      3    4    4    4    5    6    7   12   14   16   20   27   33   41   44   45   48   51   56   57 
LCS_GDT     A   127_B     A   127_B      4    5   51      3    4    4    5    7   10   14   14   15   17   21   24   26   30   39   45   46   51   56   58 
LCS_GDT     T   128_B     T   128_B      3    5   29      3    3    3    6   12   15   20   25   25   25   26   26   26   27   27   28   28   28   29   31 
LCS_GDT     G   129_B     G   129_B      3    4   29      3    3    4    5   19   20   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     L   130_B     L   130_B      3    4   29      3    3    4    5    6   20   24   25   25   25   26   26   26   27   27   28   28   28   29   30 
LCS_GDT     D   131_B     D   131_B      3   23   29      3    6   15   18   19   21   24   25   25   25   26   26   26   27   27   28   28   28   29   31 
LCS_GDT     S   132_B     S   132_B     12   23   29      6   11   13   15   21   22   22   24   25   25   26   26   26   27   27   28   28   28   29   31 
LCS_GDT     P   133_B     P   133_B     12   23   29      5   11   13   15   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   31 
LCS_GDT     G   134_B     G   134_B     12   23   29      5   11   13   18   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   30 
LCS_GDT     Y   135_B     Y   135_B     13   23   29      6   11   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   31 
LCS_GDT     R   136_B     R   136_B     18   23   29      6   11   16   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   31 
LCS_GDT     N   137_B     N   137_B     18   23   29      5   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   30 
LCS_GDT     L   138_B     L   138_B     18   23   29      6   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     R   139_B     R   139_B     18   23   29      6   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   30 
LCS_GDT     R   140_B     R   140_B     18   23   29      6   11   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     V   141_B     V   141_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     A   142_B     A   142_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     R   143_B     R   143_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     P   144_B     P   144_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     V   145_B     V   145_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     W   146_B     W   146_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     K   147_B     K   147_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     A   148_B     A   148_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     Y   149_B     Y   149_B     18   23   29     10   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     E   150_B     E   150_B     18   23   29     10   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     Q   151_B     Q   151_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     A   152_B     A   152_B     18   23   29     11   13   18   19   21   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_GDT     V   153_B     V   153_B     18   23   29     11   13   18   19   20   22   24   25   25   25   26   26   26   27   27   28   28   28   29   29 
LCS_AVERAGE  LCS_A:  15.86  (  11.06   14.52   21.99 )

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     35     40     43     45     48     50     52     55     57     58     59     60     61     63     65     66     67     67     68 
GDT PERCENT_AT   7.69  13.46  15.38  16.54  17.31  18.46  19.23  20.00  21.15  21.92  22.31  22.69  23.08  23.46  24.23  25.00  25.38  25.77  25.77  26.15
GDT RMS_LOCAL    0.33   0.62   0.78   0.92   1.05   1.28   1.52   1.69   2.09   2.39   3.08   2.92   3.11   3.25   3.97   4.31   4.55   4.76   4.61   4.83
GDT RMS_ALL_AT  23.24  23.20  23.27  23.07  22.92  22.81  22.51  22.46  22.15  21.87  21.14  21.41  21.23  21.22  20.43  20.18  19.94  19.73  20.03  19.81

# Checking swapping
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  Y    69_B      Y    69_B
#   possible swapping detected:  Y    83_B      Y    83_B
#   possible swapping detected:  D    91_B      D    91_B
#   possible swapping detected:  D   109_B      D   109_B
#   possible swapping detected:  E   125_B      E   125_B
#   possible swapping detected:  D   126_B      D   126_B
#   possible swapping detected:  D   131_B      D   131_B
#   possible swapping detected:  Y   135_B      Y   135_B
#   possible swapping detected:  Y   149_B      Y   149_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    57_B      H    57_B     4.380     0    0.125   0.474     5.424   39.167   39.857
LGA    L    58_B      L    58_B     3.520     0    0.040   1.414     6.710   48.452   36.131
LGA    I    59_B      I    59_B     3.095     0    0.030   0.082     4.390   55.476   49.464
LGA    T    60_B      T    60_B     2.447     0    0.020   0.165     3.163   64.881   61.633
LGA    E    61_B      E    61_B     2.012     0    0.080   1.049     7.076   70.952   48.254
LGA    Y    62_B      Y    62_B     1.681     0    0.029   1.118     8.294   77.143   50.556
LGA    A    63_B      A    63_B     1.183     0    0.015   0.017     1.435   85.952   85.048
LGA    W    64_B      W    64_B     1.266     0    0.056   1.452     4.561   83.690   66.156
LGA    V    65_B      V    65_B     0.934     0    0.037   0.948     3.126   90.595   82.177
LGA    Q    66_B      Q    66_B     0.338     0    0.043   0.920     4.063   97.619   80.899
LGA    V    67_B      V    67_B     0.458     0    0.009   0.792     2.334  100.000   90.952
LGA    H    68_B      H    68_B     0.188     0    0.037   1.174     5.278  100.000   71.857
LGA    Y    69_B      Y    69_B     0.549     0    0.044   0.172     2.641   92.857   79.762
LGA    E    70_B      E    70_B     0.690     0    0.077   1.081     4.713   92.857   80.317
LGA    L    71_B      L    71_B     0.818     0    0.057   0.124     1.163   90.476   89.345
LGA    R    72_B      R    72_B     1.037     0    0.054   1.225     6.967   88.214   66.840
LGA    R    73_B      R    73_B     0.767     0    0.045   0.731     4.115   90.476   70.346
LGA    A    74_B      A    74_B     0.705     0    0.053   0.057     0.877   90.476   90.476
LGA    I    75_B      I    75_B     1.133     0    0.045   0.105     1.639   81.429   80.357
LGA    G    76_B      G    76_B     1.042     0    0.074   0.074     1.042   85.952   85.952
LGA    H    77_B      H    77_B     0.577     0    0.046   1.110     3.127   90.476   80.429
LGA    L    78_B      L    78_B     0.718     0    0.035   0.168     1.100   90.476   89.345
LGA    D    79_B      D    79_B     0.988     0    0.054   0.147     1.351   88.214   84.821
LGA    E    80_B      E    80_B     0.492     0    0.023   0.240     1.807   92.857   88.571
LGA    D    81_B      D    81_B     0.800     0    0.028   0.223     2.002   90.476   82.798
LGA    R    82_B      R    82_B     0.617     0    0.057   1.236     3.853   90.476   80.649
LGA    Y    83_B      Y    83_B     1.488     0    0.018   1.356    10.718   77.143   42.778
LGA    H    84_B      H    84_B     2.116     0    0.049   1.298     8.881   70.833   40.143
LGA    Q    85_B      Q    85_B     1.451     0    0.000   0.477     3.951   81.548   69.048
LGA    A    86_B      A    86_B     0.435     0    0.042   0.045     0.744   97.619   96.190
LGA    V    87_B      V    87_B     0.950     0    0.032   0.043     1.403   90.476   86.599
LGA    R    88_B      R    88_B     0.879     0    0.043   1.330     8.190   90.476   56.970
LGA    M    89_B      M    89_B     0.440     0    0.027   0.645     2.844   97.619   87.619
LGA    F    90_B      F    90_B     0.321     0    0.021   1.202     7.772   97.619   60.693
LGA    D    91_B      D    91_B     0.535     0    0.047   0.759     3.837   92.857   78.393
LGA    R    92_B      R    92_B     0.792     0    0.020   0.667     1.196   90.476   87.186
LGA    A    93_B      A    93_B     0.642     0    0.018   0.022     0.957   90.476   90.476
LGA    T    94_B      T    94_B     0.779     0    0.026   0.077     0.945   90.476   90.476
LGA    G    95_B      G    95_B     0.786     0    0.040   0.040     0.786   90.476   90.476
LGA    L    96_B      L    96_B     1.117     0    0.045   0.089     1.507   83.690   81.488
LGA    S    97_B      S    97_B     1.142     0    0.023   0.643     1.992   81.429   80.000
LGA    E    98_B      E    98_B     1.081     0    0.063   0.919     4.140   81.429   69.577
LGA    V    99_B      V    99_B     1.024     0    0.028   0.097     1.160   85.952   84.014
LGA    T   100_B      T   100_B     0.644     0    0.054   0.082     0.835   90.476   94.558
LGA    V   101_B      V   101_B     1.435     0    0.036   0.859     2.141   75.119   71.837
LGA    Q   102_B      Q   102_B     2.341     0    0.019   1.262     6.767   64.881   48.413
LGA    A   103_B      A   103_B     2.013     0    0.018   0.020     2.032   68.810   69.619
LGA    V   104_B      V   104_B     1.374     0    0.056   0.942     2.494   77.143   75.374
LGA    R   105_B      R   105_B     2.636     0    0.060   1.283     3.294   55.476   62.424
LGA    L   106_B      L   106_B     3.622     0    0.591   0.624     6.091   51.905   38.155
LGA    L   107_B      L   107_B     3.512     0    0.561   1.238     8.886   41.786   28.036
LGA    T   108_B      T   108_B     4.945     0    0.661   0.582     8.697   38.929   24.490
LGA    D   109_B      D   109_B     6.757     0    0.183   1.108    10.472   16.310    8.452
LGA    H   110_B      H   110_B     6.247     0    0.052   0.154    14.077   28.690   11.952
LGA    L   111_B      L   111_B     4.148     0    0.642   0.532     9.642   34.762   20.833
LGA    P   112_B      P   112_B     4.879     0    0.665   0.840     6.432   31.786   34.558
LGA    Q   113_B      Q   113_B     8.125     0    0.098   0.415    12.716    5.833    2.910
LGA    H   114_B      H   114_B     7.682     0    0.062   1.098     9.278    5.833    9.619
LGA    S   115_B      S   115_B     8.377     0    0.020   0.582    11.262    3.810    5.952
LGA    L   116_B      L   116_B    11.288     0    0.028   0.926    13.851    0.119    0.060
LGA    L   117_B      L   117_B    13.655     0    0.020   0.082    15.703    0.000    0.000
LGA    M   118_B      M   118_B    13.952     0    0.028   1.149    16.716    0.000    0.000
LGA    M   119_B      M   119_B    15.934     0    0.040   0.165    18.717    0.000    0.000
LGA    R   120_B      R   120_B    18.232     0    0.036   1.196    20.979    0.000    0.000
LGA    N   121_B      N   121_B    20.313     0    0.122   0.134    23.006    0.000    0.000
LGA    A   122_B      A   122_B    22.417     0    0.253   0.278    24.142    0.000    0.000
LGA    L   123_B      L   123_B    24.130     0    0.587   0.553    27.546    0.000    0.000
LGA    P   124_B      P   124_B    26.181     0    0.583   0.621    29.228    0.000    0.000
LGA    E   125_B      E   125_B    31.796     0    0.040   1.079    35.060    0.000    0.000
LGA    D   126_B      D   126_B    35.885     0    0.471   1.027    38.084    0.000    0.000
LGA    A   127_B      A   127_B    32.459     0    0.587   0.550    34.329    0.000    0.000
LGA    T   128_B      T   128_B    35.679     0    0.610   1.028    38.082    0.000    0.000
LGA    G   129_B      G   129_B    38.555     0    0.033   0.033    42.183    0.000    0.000
LGA    L   130_B      L   130_B    42.848     0    0.301   0.366    47.726    0.000    0.000
LGA    D   131_B      D   131_B    41.344     0    0.444   0.871    43.298    0.000    0.000
LGA    S   132_B      S   132_B    39.510     0    0.662   0.795    40.807    0.000    0.000
LGA    P   133_B      P   133_B    41.389     0    0.085   0.190    42.003    0.000    0.000
LGA    G   134_B      G   134_B    37.258     0    0.024   0.024    38.341    0.000    0.000
LGA    Y   135_B      Y   135_B    36.915     0    0.029   1.400    41.909    0.000    0.000
LGA    R   136_B      R   136_B    41.709     0    0.017   1.236    50.622    0.000    0.000
LGA    N   137_B      N   137_B    41.382     0    0.102   0.118    44.670    0.000    0.000
LGA    L   138_B      L   138_B    37.087     0    0.023   1.427    38.279    0.000    0.000
LGA    R   139_B      R   139_B    39.771     0    0.046   1.064    47.649    0.000    0.000
LGA    R   140_B      R   140_B    43.608     0    0.151   0.895    47.994    0.000    0.000
LGA    V   141_B      V   141_B    40.669     0    0.139   0.901    41.523    0.000    0.000
LGA    A   142_B      A   142_B    37.859     0    0.020   0.034    39.278    0.000    0.000
LGA    R   143_B      R   143_B    42.930     0    0.062   1.494    51.147    0.000    0.000
LGA    P   144_B      P   144_B    44.033     0    0.084   0.130    45.567    0.000    0.000
LGA    V   145_B      V   145_B    38.229     0    0.011   0.114    40.101    0.000    0.000
LGA    W   146_B      W   146_B    38.471     0    0.033   1.645    41.356    0.000    0.000
LGA    K   147_B      K   147_B    43.527     0    0.016   1.071    51.439    0.000    0.000
LGA    A   148_B      A   148_B    41.853     0    0.019   0.018    42.242    0.000    0.000
LGA    Y   149_B      Y   149_B    37.086     0    0.031   1.603    38.563    0.000    0.000
LGA    E   150_B      E   150_B    39.911     0    0.034   1.201    43.012    0.000    0.000
LGA    Q   151_B      Q   151_B    43.395     0    0.056   0.401    49.668    0.000    0.000
LGA    A   152_B      A   152_B    39.346     0    0.189   0.194    40.332    0.000    0.000
LGA    V   153_B      V   153_B    36.463     0    0.620   0.604    39.076    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     798    798  100.00               260
SUMMARY(RMSD_GDC):    16.275         16.316                 17.152           16.738   14.663

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   97  260    4.0     52    1.69    18.750    18.049     2.900

LGA_LOCAL      RMSD:   1.693  Number of atoms:   52  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.460  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.275  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.056022 * X  +   0.786632 * Y  +   0.614875 * Z  +  27.133505
  Y_new =  -0.789583 * X  +  -0.342016 * Y  +   0.509494 * Z  +  21.246851
  Z_new =   0.611081 * X  +  -0.514038 * Y  +   0.601951 * Z  + -36.521580 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.499963 -0.657426 -0.706784   [DEG:  -85.9416  -37.6677  -40.4958 ]
ZXZ:  2.262743  0.924854  2.270156   [DEG:  129.6456   52.9902  130.0703 ]
 
# END of job
