
#######################################################
#                                                     #
#                        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 (  623),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:E  -ch2:E  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        4.14     4.14
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      22_E - 83_E        1.94     4.28
  LCS_AVERAGE:     61.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      59_E - 83_E        0.95     5.05
  LCS_AVERAGE:     25.14

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     M     1_E     M     1_E      3    4   83      3    3    3    4    4    5    6    7    9    9    9   10   10   12   12   13   33   33   37   63 
LCS_GDT     S     2_E     S     2_E      3    4   83      3    3    3    4    4    5    6    7    9   30   38   44   56   65   74   79   80   81   82   82 
LCS_GDT     G     3_E     G     3_E      3    4   83      3    3    3    4    7   20   24   27   35   48   59   64   73   76   78   80   81   81   82   82 
LCS_GDT     D     4_E     D     4_E      4    4   83      3   11   22   29   35   44   54   64   68   72   74   79   80   80   80   80   81   81   82   82 
LCS_GDT     N     5_E     N     5_E      4   16   83      3    4    4    4    9   13   31   42   55   69   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     F     6_E     F     6_E     15   16   83     11   13   14   15   15   15   23   42   57   69   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L     7_E     L     7_E     15   16   83     11   18   31   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K     8_E     K     8_E     15   16   83     11   13   14   15   15   15   16   56   60   69   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A     9_E     A     9_E     15   16   83     11   13   14   15   15   15   16   16   17   46   71   78   80   80   80   80   81   81   82   82 
LCS_GDT     F    10_E     F    10_E     15   16   83      9   13   14   15   15   36   50   64   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    11_E     A    11_E     15   16   83     11   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    12_E     A    12_E     15   16   83     11   13   14   15   15   15   16   16   55   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    13_E     L    13_E     15   16   83     11   13   14   15   15   15   27   40   56   70   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    14_E     E    14_E     15   16   83     11   13   14   15   39   55   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    15_E     A    15_E     15   16   83     11   13   14   40   50   56   63   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    16_E     L    16_E     15   16   83     11   13   14   15   15   16   42   61   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    17_E     A    17_E     15   16   83     11   13   14   29   34   44   55   65   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    18_E     A    18_E     15   16   83      6   13   14   15   15   15   16   61   67   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    19_E     L    19_E     15   39   83      4    9   26   35   48   56   63   66   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     P    20_E     P    20_E     15   40   83      3    3    8   30   41   53   62   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    21_E     A    21_E      4   41   83      3    4    5   10   29   34   44   56   67   72   75   79   80   80   80   80   81   81   82   82 
LCS_GDT     S    22_E     S    22_E     21   62   83      3    9   23   29   41   53   60   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    23_E     A    23_E     22   62   83      3   18   30   47   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    24_E     K    24_E     22   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    25_E     E    25_E     22   62   83     15   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    26_E     L    26_E     22   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     Q    27_E     Q    27_E     22   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    28_E     L    28_E     22   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    29_E     E    29_E     22   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    30_E     L    30_E     22   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     I    31_E     I    31_E     22   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    32_E     K    32_E     22   62   83     13   24   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     Q    33_E     Q    33_E     22   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     F    34_E     F    34_E     22   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     M    35_E     M    35_E     24   62   83     13   24   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    36_E     A    36_E     24   62   83     13   18   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    37_E     E    37_E     24   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    38_E     A    38_E     24   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     M    39_E     M    39_E     24   62   83     13   21   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    40_E     K    40_E     24   62   83      8   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     I    41_E     I    41_E     24   62   83     15   21   37   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     G    42_E     G    42_E     24   62   83      9   22   37   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     N    43_E     N    43_E     24   62   83     15   21   28   44   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    44_E     K    44_E     24   62   83     15   21   28   43   53   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    45_E     E    45_E     24   62   83     15   21   25   42   52   60   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     G    46_E     G    46_E     24   62   83     15   21   25   43   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    47_E     L    47_E     24   62   83     15   21   28   46   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    48_E     L    48_E     24   62   83     15   21   28   43   53   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    49_E     L    49_E     24   62   83     15   21   25   43   53   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    50_E     L    50_E     24   62   83     15   21   27   46   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    51_E     A    51_E     24   62   83     15   21   31   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    52_E     E    52_E     24   62   83     15   21   28   43   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     R    53_E     R    53_E     24   62   83     15   21   25   43   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    54_E     L    54_E     24   62   83     15   21   33   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    55_E     E    55_E     24   62   83     15   21   35   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    56_E     A    56_E     24   62   83     15   21   28   46   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    57_E     L    57_E     24   62   83     12   21   31   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    58_E     K    58_E     24   62   83      8   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     P    59_E     P    59_E     25   62   83      9   23   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    60_E     K    60_E     25   62   83      7   24   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     V    61_E     V    61_E     25   62   83      5   22   35   45   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     S    62_E     S    62_E     25   62   83      7   13   22   40   53   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     P    63_E     P    63_E     25   62   83      8   21   26   44   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    64_E     E    64_E     25   62   83      4    8   28   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     I    65_E     I    65_E     25   62   83      9   25   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    66_E     A    66_E     25   62   83      9   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     V    67_E     V    67_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    68_E     L    68_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     V    69_E     V    69_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    70_E     E    70_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    71_E     K    71_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    72_E     A    72_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    73_E     A    73_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     E    74_E     E    74_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     M    75_E     M    75_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    76_E     L    76_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    77_E     K    77_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    78_E     L    78_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    79_E     L    79_E     25   62   83     13   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    80_E     A    80_E     25   62   83     16   28   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     K    81_E     K    81_E     25   62   83      8   27   38   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     A    82_E     A    82_E     25   62   83      4   22   37   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_GDT     L    83_E     L    83_E     25   62   83      3   14   35   48   55   62   64   67   69   72   77   79   80   80   80   80   81   81   82   82 
LCS_AVERAGE  LCS_A:  62.06  (  25.14   61.02  100.00 )

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     16     28     38     48     55     62     64     67     69     72     77     79     80     80     80     80     81     81     82     82 
GDT PERCENT_AT  19.28  33.73  45.78  57.83  66.27  74.70  77.11  80.72  83.13  86.75  92.77  95.18  96.39  96.39  96.39  96.39  97.59  97.59  98.80  98.80
GDT RMS_LOCAL    0.36   0.61   0.86   1.27   1.50   1.80   1.90   2.08   2.19   2.38   2.87   3.01   3.11   3.11   3.11   3.11   3.34   3.34   3.62   3.62
GDT RMS_ALL_AT   4.92   4.86   4.93   4.59   4.46   4.31   4.28   4.31   4.29   4.30   4.25   4.23   4.22   4.22   4.22   4.22   4.18   4.18   4.16   4.16

# Checking swapping
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    14_E      E    14_E
#   possible swapping detected:  E    25_E      E    25_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    52_E      E    52_E
#   possible swapping detected:  E    55_E      E    55_E
#   possible swapping detected:  E    64_E      E    64_E
#   possible swapping detected:  E    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E    19.891     0    0.177   0.843    28.070    0.000    0.000
LGA    S     2_E      S     2_E    13.923     0    0.360   0.716    16.399    0.000    0.000
LGA    G     3_E      G     3_E    11.618     0    0.068   0.068    11.985    0.714    0.714
LGA    D     4_E      D     4_E     6.694     0    0.633   1.182    11.991   20.714   11.607
LGA    N     5_E      N     5_E     7.627     0    0.067   1.207     9.982    8.571    4.524
LGA    F     6_E      F     6_E     7.722     0    0.580   1.335    14.063   14.881    5.541
LGA    L     7_E      L     7_E     1.122     0    0.082   1.161     5.511   71.429   55.179
LGA    K     8_E      K     8_E     6.248     0    0.061   0.921    15.848   22.143   10.053
LGA    A     9_E      A     9_E     8.516     0    0.043   0.050    10.654    9.048    7.238
LGA    F    10_E      F    10_E     5.243     0    0.069   1.406    11.156   36.429   17.013
LGA    A    11_E      A    11_E     2.162     0    0.080   0.077     4.623   65.119   58.381
LGA    A    12_E      A    12_E     6.303     0    0.049   0.049     8.950   24.286   20.000
LGA    L    13_E      L    13_E     6.765     0    0.073   1.008    12.435   23.095   11.905
LGA    E    14_E      E    14_E     3.992     0    0.039   1.420    10.936   48.452   25.873
LGA    A    15_E      A    15_E     3.863     0    0.066   0.065     6.227   50.357   43.714
LGA    L    16_E      L    16_E     5.184     0    0.063   0.114    12.259   34.524   18.214
LGA    A    17_E      A    17_E     5.310     0    0.077   0.076     7.281   32.976   28.381
LGA    A    18_E      A    18_E     4.809     0    0.205   0.205     6.664   39.048   33.905
LGA    L    19_E      L    19_E     4.081     0    0.591   1.472     9.744   58.214   33.095
LGA    P    20_E      P    20_E     4.032     0    0.711   0.809     7.259   37.143   28.163
LGA    A    21_E      A    21_E     6.596     0    0.657   0.590     8.642   20.595   17.048
LGA    S    22_E      S    22_E     4.512     0    0.034   0.716     5.195   41.190   38.889
LGA    A    23_E      A    23_E     1.853     0    0.325   0.333     2.871   71.071   68.286
LGA    K    24_E      K    24_E     1.304     0    0.032   0.892     4.891   81.429   65.556
LGA    E    25_E      E    25_E     1.154     0    0.043   1.043     3.880   83.690   69.365
LGA    L    26_E      L    26_E     1.027     0    0.043   0.191     1.995   85.952   81.548
LGA    Q    27_E      Q    27_E     0.610     0    0.030   1.070     2.327   90.476   84.762
LGA    L    28_E      L    28_E     0.705     0    0.060   1.393     3.733   88.214   77.024
LGA    E    29_E      E    29_E     0.924     0    0.046   0.241     1.872   88.214   80.635
LGA    L    30_E      L    30_E     0.775     0    0.091   0.093     0.842   90.476   90.476
LGA    I    31_E      I    31_E     1.275     0    0.024   1.088     2.621   79.286   74.167
LGA    K    32_E      K    32_E     1.702     0    0.048   0.727     2.626   72.976   72.169
LGA    Q    33_E      Q    33_E     1.482     0    0.032   0.887     4.758   79.286   63.704
LGA    F    34_E      F    34_E     1.353     0    0.036   1.255     6.339   79.286   58.312
LGA    M    35_E      M    35_E     1.751     0    0.060   1.120     3.008   70.952   67.083
LGA    A    36_E      A    36_E     2.195     0    0.038   0.043     2.572   64.881   64.857
LGA    E    37_E      E    37_E     1.810     0    0.041   1.369     7.867   72.857   50.847
LGA    A    38_E      A    38_E     1.789     0    0.111   0.110     1.830   72.857   72.857
LGA    M    39_E      M    39_E     2.084     0    0.143   1.062     2.382   66.786   66.786
LGA    K    40_E      K    40_E     1.256     0    0.166   0.689     3.499   83.690   77.989
LGA    I    41_E      I    41_E     0.682     0    0.590   1.664     3.670   78.810   75.238
LGA    G    42_E      G    42_E     1.085     0    0.046   0.046     2.292   75.119   75.119
LGA    N    43_E      N    43_E     2.395     0    0.040   0.466     4.632   64.881   56.905
LGA    K    44_E      K    44_E     3.405     0    0.030   1.275     8.984   46.667   31.958
LGA    E    45_E      E    45_E     4.044     0    0.024   0.491     5.926   41.786   34.392
LGA    G    46_E      G    46_E     2.783     0    0.041   0.041     3.146   59.167   59.167
LGA    L    47_E      L    47_E     1.745     0    0.032   1.419     3.559   68.810   62.321
LGA    L    48_E      L    48_E     2.925     0    0.030   0.930     4.538   57.143   48.750
LGA    L    49_E      L    49_E     3.189     0    0.029   0.092     4.988   53.571   44.702
LGA    L    50_E      L    50_E     1.732     0    0.051   1.482     5.141   75.119   60.357
LGA    A    51_E      A    51_E     1.328     0    0.034   0.048     1.759   79.286   78.000
LGA    E    52_E      E    52_E     2.692     0    0.044   1.566     9.708   62.857   35.661
LGA    R    53_E      R    53_E     2.515     0    0.049   1.532     6.841   66.905   42.338
LGA    L    54_E      L    54_E     1.127     0    0.047   1.420     3.017   83.810   75.714
LGA    E    55_E      E    55_E     1.054     0    0.055   1.162     3.452   83.690   69.101
LGA    A    56_E      A    56_E     1.829     0    0.109   0.106     2.578   72.857   69.714
LGA    L    57_E      L    57_E     1.514     0    0.150   0.202     2.481   79.405   73.095
LGA    K    58_E      K    58_E     0.626     0    0.084   0.890     2.111   90.476   84.656
LGA    P    59_E      P    59_E     2.137     0    0.081   0.204     2.859   67.024   72.109
LGA    K    60_E      K    60_E     2.451     0    0.176   0.975     6.055   55.952   48.783
LGA    V    61_E      V    61_E     2.541     0    0.043   0.157     3.073   57.262   64.014
LGA    S    62_E      S    62_E     3.447     0    0.114   0.533     3.839   55.476   55.000
LGA    P    63_E      P    63_E     2.794     0    0.111   0.406     4.330   60.952   52.517
LGA    E    64_E      E    64_E     1.846     0    0.193   0.752     4.468   70.952   60.476
LGA    I    65_E      I    65_E     0.897     0    0.227   1.503     3.845   92.857   79.226
LGA    A    66_E      A    66_E     0.827     0    0.067   0.066     1.227   88.214   86.857
LGA    V    67_E      V    67_E     0.929     0    0.040   0.128     1.501   88.214   84.082
LGA    L    68_E      L    68_E     0.509     0    0.068   0.144     1.934   95.238   87.321
LGA    V    69_E      V    69_E     0.717     0    0.026   1.218     3.383   90.595   82.245
LGA    E    70_E      E    70_E     1.272     0    0.041   0.820     3.260   79.286   75.079
LGA    K    71_E      K    71_E     1.327     0    0.097   1.119     8.768   81.429   59.048
LGA    A    72_E      A    72_E     0.907     0    0.041   0.044     1.541   83.810   85.143
LGA    A    73_E      A    73_E     1.549     0    0.036   0.053     1.803   75.000   74.571
LGA    E    74_E      E    74_E     1.799     0    0.075   1.244     4.254   75.000   61.481
LGA    M    75_E      M    75_E     1.403     0    0.032   0.715     2.731   81.429   72.321
LGA    L    76_E      L    76_E     1.552     0    0.042   0.064     2.240   75.000   73.988
LGA    K    77_E      K    77_E     2.241     0    0.040   1.448     7.940   64.762   43.545
LGA    L    78_E      L    78_E     1.923     0    0.079   1.059     4.825   75.000   63.095
LGA    L    79_E      L    79_E     1.206     0    0.051   0.446     2.114   81.429   81.607
LGA    A    80_E      A    80_E     2.024     0    0.073   0.071     2.725   66.786   64.857
LGA    K    81_E      K    81_E     2.456     0    0.136   1.099    10.054   64.762   39.153
LGA    A    82_E      A    82_E     1.862     0    0.637   0.622     2.712   68.929   69.714
LGA    L    83_E      L    83_E     1.953     0    0.411   1.570     6.407   46.548   46.607

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     623    623  100.00                83
SUMMARY(RMSD_GDC):     4.142          3.910                  4.971           62.212   54.408

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     67    2.08    67.169    69.674     3.079

LGA_LOCAL      RMSD:   2.076  Number of atoms:   67  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.306  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.142  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.254150 * X  +  -0.773627 * Y  +   0.580439 * Z  +  -9.587841
  Y_new =  -0.412412 * X  +   0.456161 * Y  +   0.788564 * Z  + -57.709339
  Z_new =  -0.874828 * X  +  -0.439793 * Y  +  -0.203119 * Z  + -35.399082 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.018512  1.065081 -2.003463   [DEG:  -58.3564   61.0247 -114.7900 ]
ZXZ:  2.507066  1.775339 -2.036617   [DEG:  143.6443  101.7194 -116.6896 ]
 
# END of job
