
#######################################################
#                                                     #
#                        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        4.01     4.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       1_E - 41_E        1.97     5.83
  LCS_AVERAGE:     41.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      39_E - 60_E        0.99     7.88
  LCS_AVERAGE:     22.99

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     19   41   83      0    5    6   16   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E     19   41   83      9   18   19   28   33   40   43   54   62   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     19   41   83     14   18   19   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     19   41   83     14   18   18   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     19   41   83     14   18   18   28   33   38   43   51   61   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     19   41   83     14   18   19   28   33   40   43   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     19   41   83     14   18   24   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     19   41   83     14   18   18   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     19   41   83     14   18   18   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     19   41   83     14   18   24   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     19   41   83     14   18   24   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     19   41   83     14   18   18   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     19   41   83     14   18   18   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     19   41   83     14   18   23   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     19   41   83     14   18   22   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     19   41   83     13   18   23   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     19   41   83      7   18   18   19   32   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     19   41   83     11   18   19   28   33   40   43   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     19   41   83     14   18   24   28   33   40   44   53   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     19   41   83      3    4    7   14   27   40   43   49   60   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E     20   41   83      3   14   24   28   33   40   44   51   56   66   74   80   81   82   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     20   41   83      3    4   13   24   30   40   43   49   56   62   72   78   81   82   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     20   41   83      5   13   24   28   33   40   45   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     20   41   83      9   14   24   28   33   40   44   51   60   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     20   41   83      9   14   24   28   33   40   44   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     20   41   83      9   14   24   28   33   40   45   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     20   41   83      9   14   24   28   33   40   45   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     20   41   83      9   14   24   28   33   40   45   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     20   41   83      9   14   24   28   33   40   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     20   41   83      9   14   24   28   33   40   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     20   41   83      9   14   24   28   33   40   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     20   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     20   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     20   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     20   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     20   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     20   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     21   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     22   41   83      9   14   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     22   41   83      6   16   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     22   41   83      3   10   24   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     22   37   83     10   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     22   34   83     10   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     22   31   83     11   17   20   26   34   41   47   52   63   71   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     22   31   83     11   17   20   26   34   41   43   51   58   67   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     22   31   83     10   17   20   26   34   41   47   52   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     22   31   83     10   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     22   31   83     11   17   20   26   34   41   46   52   63   71   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     22   31   83     11   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     22   31   83      8   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     22   31   83      7   17   20   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     22   31   83      5    5   16   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     22   31   83      5    6   20   26   34   41   47   52   62   70   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     21   31   83      6   13   19   24   27   33   39   43   51   55   68   72   78   82   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     16   31   83      6   13   17   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     16   30   83      6   13   17   21   34   41   47   54   63   71   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     16   23   83      6    6   15   19   26   38   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     16   23   83      6    8   15   21   29   40   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     16   23   83      7   13   17   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     16   23   83      7   13   17   20   28   38   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     16   23   83      7   13   17   21   33   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     16   23   83      7   13   18   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     16   23   83      7   13   17   20   26   36   45   52   60   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     16   23   83      7   13   17   20   27   38   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     16   23   83      7   13   17   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     16   23   83      4   13   17   20   31   38   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     16   23   83      6   13   17   20   29   38   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     16   23   83      6   13   19   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     16   23   83      6   12   17   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     14   23   83      6   12   17   21   31   38   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     14   23   83      6   12   19   26   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     14   23   83      6   12   19   28   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     14   23   83      6   12   14   16   25   35   44   52   63   70   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     14   23   83      6   12   15   23   34   41   47   54   63   72   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     14   23   83      6   12   14   26   34   41   45   52   59   69   77   80   81   82   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     14   23   83      3   10   11   16   17   23   28   36   46   54   63   72   77   80   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  54.70  (  22.99   41.09  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     14     18     24     28     34     41     47     54     63     72     77     80     81     82     83     83     83     83     83     83 
GDT PERCENT_AT  16.87  21.69  28.92  33.73  40.96  49.40  56.63  65.06  75.90  86.75  92.77  96.39  97.59  98.80 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.49   1.07   1.23   1.75   2.07   2.41   2.89   3.18   3.51   3.66   3.78   3.84   3.90   4.01   4.01   4.01   4.01   4.01   4.01
GDT RMS_ALL_AT   8.05   8.32   5.81   5.74   5.96   5.28   4.75   4.27   4.12   4.05   4.02   4.01   4.01   4.01   4.01   4.01   4.01   4.01   4.01   4.01

# Checking swapping
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    14_E      E    14_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    45_E      E    45_E
#   possible swapping detected:  E    55_E      E    55_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     6.216     0    0.472   1.081     7.448   17.262   17.381
LGA    S     2_E      S     2_E     6.754     0    0.085   0.739     8.030   13.333   11.905
LGA    G     3_E      G     3_E     6.326     0    0.076   0.076     6.591   19.524   19.524
LGA    D     4_E      D     4_E     5.028     0    0.040   1.232     6.946   29.048   23.274
LGA    N     5_E      N     5_E     5.890     0    0.046   1.004     8.194   21.429   16.786
LGA    F     6_E      F     6_E     5.530     0    0.047   1.205    12.780   26.429   11.775
LGA    L     7_E      L     7_E     3.969     0    0.047   0.184     4.986   41.786   38.810
LGA    K     8_E      K     8_E     3.994     0    0.043   0.237     6.444   40.238   33.862
LGA    A     9_E      A     9_E     4.271     0    0.013   0.013     4.611   37.143   36.000
LGA    F    10_E      F    10_E     4.013     0    0.042   1.256    10.976   41.786   21.602
LGA    A    11_E      A    11_E     3.972     0    0.079   0.081     4.219   40.238   40.857
LGA    A    12_E      A    12_E     4.285     0    0.048   0.049     4.691   37.143   36.000
LGA    L    13_E      L    13_E     3.949     0    0.083   1.423     4.499   41.786   44.464
LGA    E    14_E      E    14_E     4.119     0    0.065   1.070     7.212   37.262   32.116
LGA    A    15_E      A    15_E     5.043     0    0.062   0.071     5.524   29.048   28.476
LGA    L    16_E      L    16_E     4.665     0    0.054   1.425     8.756   32.857   23.214
LGA    A    17_E      A    17_E     4.174     0    0.054   0.056     4.770   34.286   34.857
LGA    A    18_E      A    18_E     6.389     0    0.215   0.221     7.367   16.667   16.000
LGA    L    19_E      L    19_E     6.883     0    0.584   0.599     7.752   14.286   12.202
LGA    P    20_E      P    20_E     7.274     0    0.367   0.819     9.137    6.190    6.054
LGA    A    21_E      A    21_E     8.984     0    0.169   0.176     9.929    2.857    2.381
LGA    S    22_E      S    22_E     9.429     0    0.138   0.787    11.361    2.976    1.984
LGA    A    23_E      A    23_E     5.719     0    0.468   0.434     6.668   19.405   22.952
LGA    K    24_E      K    24_E     7.603     0    0.053   1.137    15.495    9.405    4.709
LGA    E    25_E      E    25_E     6.639     0    0.049   0.739     7.930   16.548   13.757
LGA    L    26_E      L    26_E     5.387     0    0.047   0.188     5.873   27.738   25.774
LGA    Q    27_E      Q    27_E     5.174     0    0.044   0.756     7.721   30.238   20.423
LGA    L    28_E      L    28_E     4.854     0    0.077   1.360     8.600   34.524   23.810
LGA    E    29_E      E    29_E     3.436     0    0.046   0.710     5.336   53.810   40.952
LGA    L    30_E      L    30_E     2.489     0    0.080   1.401     6.127   64.881   48.929
LGA    I    31_E      I    31_E     2.513     0    0.063   0.087     4.494   62.976   54.048
LGA    K    32_E      K    32_E     2.485     0    0.071   0.844     7.200   66.786   48.254
LGA    Q    33_E      Q    33_E     1.008     0    0.031   0.886     4.002   85.952   74.974
LGA    F    34_E      F    34_E     0.769     0    0.071   0.142     3.600   90.476   68.831
LGA    M    35_E      M    35_E     1.645     0    0.096   1.035     2.998   72.976   70.000
LGA    A    36_E      A    36_E     2.458     0    0.069   0.065     2.777   64.881   63.333
LGA    E    37_E      E    37_E     1.582     0    0.031   0.218     2.823   77.143   70.476
LGA    A    38_E      A    38_E     0.717     0    0.062   0.068     1.369   85.952   86.857
LGA    M    39_E      M    39_E     2.402     0    0.177   1.259     2.962   64.762   61.905
LGA    K    40_E      K    40_E     2.260     0    0.242   0.686     3.849   64.881   55.926
LGA    I    41_E      I    41_E     1.230     0    0.108   1.188     4.436   79.286   76.012
LGA    G    42_E      G    42_E     2.073     0    0.286   0.286     3.145   63.333   63.333
LGA    N    43_E      N    43_E     3.855     0    0.627   0.754     8.171   45.238   33.750
LGA    K    44_E      K    44_E     4.330     0    0.102   1.275    10.795   35.714   23.915
LGA    E    45_E      E    45_E     5.540     0    0.046   0.761     8.664   27.619   18.624
LGA    G    46_E      G    46_E     4.125     0    0.034   0.034     4.597   42.143   42.143
LGA    L    47_E      L    47_E     1.882     0    0.039   0.257     2.606   66.905   70.119
LGA    L    48_E      L    48_E     3.566     0    0.055   0.145     6.303   48.333   36.786
LGA    L    49_E      L    49_E     4.167     0    0.047   0.204     6.968   41.786   30.179
LGA    L    50_E      L    50_E     2.758     0    0.056   1.406     6.887   60.952   44.107
LGA    A    51_E      A    51_E     2.012     0    0.023   0.022     2.681   66.786   64.857
LGA    E    52_E      E    52_E     2.988     0    0.019   1.114    10.476   59.048   32.910
LGA    R    53_E      R    53_E     3.126     0    0.068   1.340     6.169   55.357   40.087
LGA    L    54_E      L    54_E     2.805     0    0.012   1.412     4.690   59.048   55.893
LGA    E    55_E      E    55_E     2.257     0    0.086   0.662     7.108   70.833   45.132
LGA    A    56_E      A    56_E     2.200     0    0.141   0.155     3.011   61.190   58.952
LGA    L    57_E      L    57_E     3.142     0    0.151   0.174     4.868   52.024   44.643
LGA    K    58_E      K    58_E     3.197     0    0.067   0.900     5.093   48.571   46.878
LGA    P    59_E      P    59_E     3.485     0    0.090   0.605     4.490   46.905   47.415
LGA    K    60_E      K    60_E     4.512     0    0.192   0.795     8.081   26.548   21.693
LGA    V    61_E      V    61_E     7.067     0    0.587   1.436    10.508   18.571   11.701
LGA    S    62_E      S    62_E     3.768     0    0.073   0.674     5.032   45.952   44.048
LGA    P    63_E      P    63_E     2.947     0    0.089   0.378     3.886   59.048   54.218
LGA    E    64_E      E    64_E     2.519     0    0.161   0.746     7.597   61.190   40.741
LGA    I    65_E      I    65_E     2.648     0    0.240   1.299     6.995   68.929   50.952
LGA    A    66_E      A    66_E     2.482     0    0.061   0.062     3.383   65.238   62.190
LGA    V    67_E      V    67_E     3.132     0    0.017   0.083     5.023   55.476   45.238
LGA    L    68_E      L    68_E     1.215     0    0.047   0.865     5.651   90.714   66.310
LGA    V    69_E      V    69_E     2.396     0    0.065   0.072     4.810   63.333   53.061
LGA    E    70_E      E    70_E     4.379     0    0.053   0.958     7.662   40.357   27.513
LGA    K    71_E      K    71_E     3.441     0    0.101   1.072    12.387   57.381   32.540
LGA    A    72_E      A    72_E     0.563     0    0.051   0.051     1.593   79.405   79.810
LGA    A    73_E      A    73_E     3.578     0    0.060   0.063     4.878   50.119   46.381
LGA    E    74_E      E    74_E     3.715     0    0.099   0.125     8.035   55.714   34.127
LGA    M    75_E      M    75_E     1.201     0    0.018   1.466     5.432   83.929   69.167
LGA    L    76_E      L    76_E     2.393     0    0.061   1.400     7.550   67.024   47.738
LGA    K    77_E      K    77_E     2.835     0    0.054   0.456     7.355   66.905   42.857
LGA    L    78_E      L    78_E     1.376     0    0.085   1.002     7.177   75.119   50.298
LGA    L    79_E      L    79_E     3.084     0    0.069   0.324     4.354   52.500   47.143
LGA    A    80_E      A    80_E     4.118     0    0.068   0.062     4.539   41.905   39.810
LGA    K    81_E      K    81_E     1.965     0    0.134   0.744     7.098   59.524   54.021
LGA    A    82_E      A    82_E     4.761     0    0.053   0.068     6.982   29.048   28.476
LGA    L    83_E      L    83_E     7.741     0    0.097   1.371    11.630    9.762    6.845

# 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):     4.005          3.930                  4.873           47.369   39.736

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     54    2.89    55.120    55.576     1.806

LGA_LOCAL      RMSD:   2.890  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.266  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.005  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.659620 * X  +  -0.728421 * Y  +  -0.185213 * Z  +  54.101273
  Y_new =  -0.746066 * X  +   0.604725 * Y  +   0.278737 * Z  + -48.996658
  Z_new =  -0.091035 * X  +   0.322042 * Y  +  -0.942339 * Z  + -23.816797 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.294775  0.091161  2.812289   [DEG: -131.4809    5.2231  161.1323 ]
ZXZ: -2.555110  2.800347 -0.275492   [DEG: -146.3970  160.4481  -15.7845 ]
 
# END of job
