
#######################################################
#                                                     #
#                        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   83 (  653),  selected   83 , name one
# Molecule2: number of CA atoms  401 ( 3055),  selected   83 , 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:    29      96_A - 124_A       4.92    17.86
  LCS_AVERAGE:      6.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15     106_A - 120_A       1.68    18.97
  LONGEST_CONTINUOUS_SEGMENT:    15     107_A - 121_A       1.66    18.64
  LCS_AVERAGE:      2.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13     108_A - 120_A       0.57    17.75
  LCS_AVERAGE:      2.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R    57_A     R    57_A      9   10   26      9    9    9    9    9    9   13   13   19   19   23   26   27   29   33   37   39   41   43   43 
LCS_GDT     F    58_A     F    58_A      9   10   26      9    9    9    9    9    9    9   10   10   19   21   24   28   32   35   37   39   41   43   43 
LCS_GDT     F    59_A     F    59_A      9   10   26      9    9    9    9    9   11   13   15   17   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     V    60_A     V    60_A      9   10   26      9    9    9    9    9   10   13   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     E    61_A     E    61_A      9   10   26      9    9    9    9    9   10   13   15   17   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     V    62_A     V    62_A      9   10   26      9    9    9    9    9   11   13   15   17   19   22   24   28   32   35   37   39   41   43   43 
LCS_GDT     F    63_A     F    63_A      9   10   26      9    9    9    9    9    9    9   10   11   16   20   23   28   32   35   37   39   41   43   43 
LCS_GDT     S    64_A     S    64_A      9   10   26      9    9    9    9    9    9   10   13   16   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     K    65_A     K    65_A      9   10   26      9    9    9    9    9   11   13   15   17   19   22   25   28   32   35   37   39   41   43   43 
LCS_GDT     N    66_A     N    66_A      3   10   26      3    5    7    8    9   11   13   15   17   19   24   25   28   32   35   37   39   41   43   43 
LCS_GDT     F    67_A     F    67_A      3    5   26      3    5    7    8    9   11   13   15   17   19   24   25   28   32   35   37   39   41   43   43 
LCS_GDT     S    68_A     S    68_A      5   13   26      3    6    9   11   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     P    69_A     P    69_A     12   13   26      4    8   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     E    70_A     E    70_A     12   13   26      4   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     A    71_A     A    71_A     12   13   26      4   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     A    72_A     A    72_A     12   13   26      5   10   12   12   13   14   14   15   19   19   23   26   27   29   33   37   39   41   43   43 
LCS_GDT     V    73_A     V    73_A     12   13   26      4   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     T    74_A     T    74_A     12   13   26      5   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     F    75_A     F    75_A     12   13   26      5   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     Y    76_A     Y    76_A     12   13   26      5   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     Q    77_A     Q    77_A     12   13   26      5   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     N    78_A     N    78_A     12   13   26      5   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     F    79_A     F    79_A     12   13   26      5   10   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     Y    80_A     Y    80_A     12   13   26      3    3   12   12   13   14   14   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     E    81_A     E    81_A      3   13   26      3    3    5    5    8    9   11   13   16   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     L    82_A     L    82_A     11   11   26      4   10   10   11   11   11   11   15   15   17   20   23   28   32   35   37   39   41   43   43 
LCS_GDT     L    83_A     L    83_A     11   11   26      4   10   10   11   11   11   11   15   15   16   20   23   26   32   35   37   39   41   43   43 
LCS_GDT     R    84_A     R    84_A     11   11   24      4   10   10   11   11   11   11   15   15   15   17   21   23   28   29   31   37   39   41   42 
LCS_GDT     T    85_A     T    85_A     11   11   18      7   10   10   11   11   11   11   15   15   15   17   21   23   28   29   31   32   37   40   42 
LCS_GDT     Y    86_A     Y    86_A     11   11   17      7   10   10   11   11   11   11   15   15   15   17   21   23   28   29   31   31   37   40   42 
LCS_GDT     A    87_A     A    87_A     11   11   17      7   10   10   11   11   11   11   15   15   15   17   21   23   28   29   31   31   36   40   42 
LCS_GDT     A    88_A     A    88_A     11   11   17      7   10   10   11   11   11   11   15   15   15   17   20   23   25   29   31   31   32   33   33 
LCS_GDT     V    89_A     V    89_A     11   11   17      7   10   10   11   11   11   11   15   15   15   17   19   23   25   27   31   31   32   33   33 
LCS_GDT     L    90_A     L    90_A     11   11   17      7   10   10   11   11   11   11   15   15   15   17   21   23   28   29   31   31   32   33   33 
LCS_GDT     H    91_A     H    91_A     11   11   17      7   10   10   11   11   11   11   15   15   15   17   21   23   28   29   31   31   32   33   33 
LCS_GDT     G    92_A     G    92_A     11   11   17      3    5   10   11   11   11   11   15   15   15   17   21   23   28   29   31   31   32   33   33 
LCS_GDT     E    93_A     E    93_A      5    8   17      4    5    5    7    7    9   10   15   15   15   17   21   23   28   29   31   31   32   34   39 
LCS_GDT     E    94_A     E    94_A      5    8   17      4    5    5    7    7    9    9   10   12   14   17   18   19   28   29   31   31   32   33   33 
LCS_GDT     A    95_A     A    95_A      5    8   17      4    5    5    7    7    9   10   15   15   15   17   21   23   28   29   31   31   32   37   41 
LCS_GDT     V    96_A     V    96_A      5    8   29      4    5    5    7    7    9    9   10   11   13   16   24   30   32   35   35   36   39   40   41 
LCS_GDT     P    97_A     P    97_A      4    8   29      3    4    4    6    7    9   16   18   18   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     P    98_A     P    98_A      3    8   29      3    3    5    7    7   14   17   18   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     P    99_A     P    99_A      4    8   29      3    4    4    7    7   15   16   20   20   21   22   24   29   32   35   35   36   37   40   41 
LCS_GDT     L   100_A     L   100_A      4    5   29      3    4    4   12   14   15   17   20   20   21   22   24   30   32   35   35   36   39   40   41 
LCS_GDT     V   101_A     V   101_A      4    7   29      3    4    4    5    6    7   17   20   20   21   22   26   30   32   35   35   36   39   40   42 
LCS_GDT     M   102_A     M   102_A      4    7   29      3    4    4    5    6   12   17   20   20   21   23   26   30   32   35   37   39   41   43   43 
LCS_GDT     T   103_A     T   103_A      5    7   29      5    5    5    6   11   14   17   20   20   22   24   26   30   32   35   37   39   41   43   43 
LCS_GDT     P   104_A     P   104_A      5    7   29      5    5    5    5    9   14   14   15   19   22   24   26   30   32   35   37   39   41   43   43 
LCS_GDT     E   105_A     E   105_A      5    7   29      5    5    5    6    6    8   12   15   19   22   24   26   28   32   35   37   39   41   43   43 
LCS_GDT     L   106_A     L   106_A      5   15   29      5    5    5    6    9   13   14   15   16   19   21   25   28   32   35   37   39   41   43   43 
LCS_GDT     A   107_A     A   107_A     12   15   29      5    5    7   12   14   14   17   20   20   21   22   26   30   32   35   37   39   41   43   43 
LCS_GDT     A   108_A     A   108_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   37   39   41   43   43 
LCS_GDT     E   109_A     E   109_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   37   39   41   43   43 
LCS_GDT     I   110_A     I   110_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   37   39   41   43   43 
LCS_GDT     I   111_A     I   111_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   42 
LCS_GDT     A   112_A     A   112_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     L   113_A     L   113_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     F   114_A     F   114_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     Q   115_A     Q   115_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     A   116_A     A   116_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     A   117_A     A   117_A     13   15   29     10   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     T   118_A     T   118_A     13   15   29      9   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     E   119_A     E   119_A     13   15   29      4   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     S   120_A     S   120_A     13   15   29      5   13   13   13   14   15   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     E   121_A     E   121_A      5   15   29      5    5    7   12   12   14   17   20   20   21   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     E   122_A     E   122_A      5    7   29      5    5    5    6    6    8   10   10   13   14   19   26   30   32   35   35   36   39   40   41 
LCS_GDT     G   123_A     G   123_A      5    7   29      5    5    5    6    6    7    8    9   11   16   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     L   124_A     L   124_A      5    7   29      5    5    5    6    6    7    7   10   11   16   22   26   30   32   35   35   36   39   40   41 
LCS_GDT     E   125_A     E   125_A      4    7   27      3    4    4    6    6    7    8    9   12   15   19   22   26   29   35   35   36   39   40   41 
LCS_GDT     A   126_A     A   126_A      4    4   23      3    3    4    4    4    5    8   10   11   15   19   21   23   28   29   31   36   39   40   41 
LCS_GDT     F   127_A     F   127_A      4    8   23      1    4    5    5    8    9    9   10   11   15   19   21   23   28   29   31   32   39   40   41 
LCS_GDT     I   128_A     I   128_A      7    8   23      4    8    8    8    8    9    9   10   11   15   19   20   23   28   29   33   36   39   40   41 
LCS_GDT     A   129_A     A   129_A      7    8   23      4    8    8    8    8    9    9   10   11   17   21   26   28   32   35   37   38   40   43   43 
LCS_GDT     F   130_A     F   130_A      7    8   23      5    8    8    8    8    9    9   10   11   17   21   26   28   32   35   37   39   41   43   43 
LCS_GDT     V   131_A     V   131_A      7    8   23      5    8    8    8    8    9    9   10   11   17   21   26   28   32   35   35   38   41   43   43 
LCS_GDT     L   132_A     L   132_A      7    8   23      5    8    8    8    8    9    9   10   14   18   22   26   30   32   35   37   39   41   43   43 
LCS_GDT     G   133_A     G   133_A      7    8   23      5    8    8    8    8    9   10   15   19   22   24   26   30   32   35   37   39   41   43   43 
LCS_GDT     D   134_A     D   134_A      7    8   22      6    8    8    8    8    9   10   13   16   22   24   26   30   32   35   37   39   41   43   43 
LCS_GDT     P   135_A     P   135_A      6    8   17      6    6    6    6    8    9    9   15   15   17   21   26   28   32   35   37   39   41   43   43 
LCS_GDT     A   136_A     A   136_A      6    6   17      6    6    6    6    8    9   10   15   15   15   17   22   27   29   30   31   33   39   40   42 
LCS_GDT     L   137_A     L   137_A      6    6   17      6    6    6    6    8    9    9   10   11   16   22   26   30   32   35   35   36   39   41   42 
LCS_GDT     Q   138_A     Q   138_A      6    6   17      6    6    6    6    8    9    9   10   11   14   17   21   23   28   29   31   36   39   41   42 
LCS_GDT     K   139_A     K   139_A      6    6   17      6    8    8    8    8    9    9   11   12   13   17   21   23   28   29   31   31   36   40   42 
LCS_AVERAGE  LCS_A:   3.67  (   2.15    2.62    6.23 )

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     13     13     13     14     15     17     20     20     22     24     26     30     32     35     37     39     41     43     43 
GDT PERCENT_AT   2.49   3.24   3.24   3.24   3.49   3.74   4.24   4.99   4.99   5.49   5.99   6.48   7.48   7.98   8.73   9.23   9.73  10.22  10.72  10.72
GDT RMS_LOCAL    0.24   0.57   0.57   0.57   1.09   1.30   1.98   2.48   2.48   3.87   4.17   4.30   5.00   5.12   5.38   5.55   5.77   6.01   6.23   6.23
GDT RMS_ALL_AT  18.08  17.75  17.75  17.75  17.09  17.10  16.76  16.91  16.91  17.35  17.16  17.49  18.67  16.91  16.78  16.85  16.83  16.82  16.75  16.75

# Checking swapping
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  F    79_A      F    79_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  F   114_A      F   114_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   127_A      F   127_A
#   possible swapping detected:  F   130_A      F   130_A
#   possible swapping detected:  D   134_A      D   134_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    57_A      R    57_A    19.991     0    0.021   1.044    30.292    0.000    0.000
LGA    F    58_A      F    58_A    19.322     0    0.061   1.429    19.743    0.000    0.000
LGA    F    59_A      F    59_A    16.150     0    0.032   1.420    19.098    0.000    0.000
LGA    V    60_A      V    60_A    22.273     0    0.130   1.173    25.579    0.000    0.000
LGA    E    61_A      E    61_A    25.824     0    0.043   0.934    29.944    0.000    0.000
LGA    V    62_A      V    62_A    22.598     0    0.015   0.033    23.832    0.000    0.000
LGA    F    63_A      F    63_A    22.483     0    0.041   1.486    26.180    0.000    0.000
LGA    S    64_A      S    64_A    29.247     0    0.271   0.267    32.290    0.000    0.000
LGA    K    65_A      K    65_A    30.160     0    0.345   1.205    33.400    0.000    0.000
LGA    N    66_A      N    66_A    31.161     0    0.560   0.896    34.698    0.000    0.000
LGA    F    67_A      F    67_A    27.032     0    0.625   1.248    28.621    0.000    0.000
LGA    S    68_A      S    68_A    28.754     0    0.587   0.568    30.453    0.000    0.000
LGA    P    69_A      P    69_A    25.256     0    0.171   0.433    26.763    0.000    0.000
LGA    E    70_A      E    70_A    21.630     0    0.070   1.255    23.887    0.000    0.000
LGA    A    71_A      A    71_A    24.070     0    0.078   0.087    26.479    0.000    0.000
LGA    A    72_A      A    72_A    20.034     0    0.038   0.039    21.701    0.000    0.000
LGA    V    73_A      V    73_A    15.045     0    0.058   1.176    17.069    0.000    0.000
LGA    T    74_A      T    74_A    17.240     0    0.013   0.056    20.362    0.000    0.000
LGA    F    75_A      F    75_A    19.359     0    0.013   1.431    22.099    0.000    0.000
LGA    Y    76_A      Y    76_A    14.037     0    0.078   1.260    15.601    0.000    0.000
LGA    Q    77_A      Q    77_A    15.370     0    0.078   0.155    18.404    0.000    0.000
LGA    N    78_A      N    78_A    21.588     0    0.061   0.060    24.946    0.000    0.000
LGA    F    79_A      F    79_A    20.273     0    0.083   1.421    21.102    0.000    0.000
LGA    Y    80_A      Y    80_A    19.696     0    0.561   1.410    23.595    0.000    0.000
LGA    E    81_A      E    81_A    21.304     0    0.595   0.985    23.993    0.000    0.000
LGA    L    82_A      L    82_A    21.939     0    0.556   0.690    26.509    0.000    0.000
LGA    L    83_A      L    83_A    19.368     0    0.100   0.145    19.991    0.000    0.000
LGA    R    84_A      R    84_A    20.309     0    0.037   1.288    28.967    0.000    0.000
LGA    T    85_A      T    85_A    20.081     0    0.052   1.172    22.399    0.000    0.000
LGA    Y    86_A      Y    86_A    20.316     0    0.031   0.742    26.728    0.000    0.000
LGA    A    87_A      A    87_A    20.481     0    0.040   0.038    20.959    0.000    0.000
LGA    A    88_A      A    88_A    20.241     0    0.041   0.048    20.322    0.000    0.000
LGA    V    89_A      V    89_A    19.911     0    0.034   0.118    20.857    0.000    0.000
LGA    L    90_A      L    90_A    22.154     0    0.062   0.126    24.401    0.000    0.000
LGA    H    91_A      H    91_A    22.912     0    0.240   1.131    25.004    0.000    0.000
LGA    G    92_A      G    92_A    20.148     0    0.635   0.635    20.869    0.000    0.000
LGA    E    93_A      E    93_A    16.457     0    0.124   0.656    18.311    0.000    0.000
LGA    E    94_A      E    94_A    20.419     0    0.108   0.958    29.000    0.000    0.000
LGA    A    95_A      A    95_A    20.527     0    0.088   0.084    21.813    0.000    0.000
LGA    V    96_A      V    96_A    13.464     0    0.726   1.482    15.779    0.000    0.000
LGA    P    97_A      P    97_A     9.174     0    0.271   0.295    10.697    1.786    2.721
LGA    P    98_A      P    98_A     8.063     0    0.670   0.822    10.242   10.595    6.531
LGA    P    99_A      P    99_A     2.667     0    0.370   0.551     3.802   61.548   59.728
LGA    L   100_A      L   100_A     1.651     0    0.118   0.169     2.925   64.881   71.012
LGA    V   101_A      V   101_A     3.536     0    0.481   0.392     4.846   51.905   43.946
LGA    M   102_A      M   102_A     3.846     0    0.058   0.748     6.570   41.786   31.310
LGA    T   103_A      T   103_A     4.111     0    0.026   0.083     4.699   38.929   39.048
LGA    P   104_A      P   104_A     7.639     0    0.107   0.314    10.740    9.405    5.782
LGA    E   105_A      E   105_A    10.355     0    0.103   0.863    12.309    1.071    0.476
LGA    L   106_A      L   106_A     8.127     0    0.266   1.325    10.823    8.095    5.298
LGA    A   107_A      A   107_A     4.671     0    0.331   0.338     5.509   36.548   33.524
LGA    A   108_A      A   108_A     1.124     0    0.078   0.079     2.249   79.286   76.381
LGA    E   109_A      E   109_A     2.385     0    0.038   0.664     6.123   68.810   46.825
LGA    I   110_A      I   110_A     1.653     0    0.035   0.666     2.392   79.405   75.119
LGA    I   111_A      I   111_A     0.551     0    0.021   0.661     2.804   90.595   88.750
LGA    A   112_A      A   112_A     1.277     0    0.016   0.014     1.705   83.690   81.524
LGA    L   113_A      L   113_A     1.456     0    0.032   0.090     2.222   81.429   75.119
LGA    F   114_A      F   114_A     0.608     0    0.029   0.153     1.246   90.476   88.874
LGA    Q   115_A      Q   115_A     1.252     0    0.134   0.642     2.791   77.381   70.529
LGA    A   116_A      A   116_A     2.034     0    0.084   0.090     2.236   70.833   69.619
LGA    A   117_A      A   117_A     1.493     0    0.096   0.102     1.640   75.000   76.286
LGA    T   118_A      T   118_A     1.520     0    0.216   1.242     2.939   70.833   69.456
LGA    E   119_A      E   119_A     1.826     0    0.141   0.203     2.555   75.000   68.519
LGA    S   120_A      S   120_A     1.522     0    0.615   0.967     3.121   73.333   68.016
LGA    E   121_A      E   121_A     4.099     0    0.044   1.462     7.442   30.357   20.952
LGA    E   122_A      E   122_A     9.701     0    0.024   1.015    15.052    2.024    0.899
LGA    G   123_A      G   123_A     8.868     0    0.207   0.207    11.829    2.619    2.619
LGA    L   124_A      L   124_A     9.346     0    0.591   1.466    13.186    1.548    5.833
LGA    E   125_A      E   125_A    14.092     0    0.123   1.150    17.290    0.000    0.000
LGA    A   126_A      A   126_A    15.909     0    0.608   0.594    16.392    0.000    0.000
LGA    F   127_A      F   127_A    14.685     0    0.588   1.408    16.972    0.000    0.000
LGA    I   128_A      I   128_A    12.604     0    0.579   1.485    13.344    0.000    2.262
LGA    A   129_A      A   129_A    15.128     0    0.028   0.030    16.327    0.000    0.000
LGA    F   130_A      F   130_A    13.915     0    0.094   1.317    18.957    0.000    0.000
LGA    V   131_A      V   131_A    13.348     0    0.057   0.089    14.963    0.000    0.000
LGA    L   132_A      L   132_A    15.578     0    0.134   0.246    17.073    0.000    0.000
LGA    G   133_A      G   133_A    16.286     0    0.196   0.196    17.484    0.000    0.000
LGA    D   134_A      D   134_A    15.301     0    0.590   1.274    17.375    0.000    0.000
LGA    P   135_A      P   135_A    22.067     0    0.055   0.070    24.526    0.000    0.000
LGA    A   136_A      A   136_A    21.538     0    0.041   0.042    21.594    0.000    0.000
LGA    L   137_A      L   137_A    14.935     0    0.026   0.065    17.002    0.000    0.357
LGA    Q   138_A      Q   138_A    19.259     0    0.018   0.957    22.292    0.000    0.000
LGA    K   139_A      K   139_A    24.470     0    0.058   0.828    33.636    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     653    653  100.00               401
SUMMARY(RMSD_GDC):    15.080         15.124                 15.390            3.439    3.210

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83  401    4.0     20    2.48     5.175     4.346     0.776

LGA_LOCAL      RMSD:   2.476  Number of atoms:   20  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.913  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:  15.080  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.009398 * X  +  -0.192160 * Y  +   0.981319 * Z  +  -6.806757
  Y_new =  -0.118769 * X  +  -0.974201 * Y  +  -0.191903 * Z  +  12.771832
  Z_new =   0.992877 * X  +  -0.118354 * Y  +  -0.013667 * Z  +  18.490128 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.649759 -1.451372 -1.685765   [DEG:  -94.5242  -83.1575  -96.5872 ]
ZXZ:  1.377677  1.584464  1.689440   [DEG:   78.9351   90.7831   96.7978 ]
 
# END of job
