
#######################################################
#                                                     #
#                        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        3.36     3.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      23_E - 83_E        1.98     3.54
  LCS_AVERAGE:     61.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      60_E - 83_E        1.00     5.72
  LCS_AVERAGE:     25.53

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   21   83      0    3    3    3    5    5   37   45   53   62   66   74   83   83   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E     18   21   83      3    4   16   18   18   19   25   37   61   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     18   21   83      4   13   19   32   44   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     18   21   83      4   13   17   39   50   56   61   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     18   21   83      6   13   17   18   18   19   19   20   37   71   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     18   21   83      7   13   17   18   18   19   30   45   68   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     18   21   83      9   18   24   40   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     18   21   83      9   13   17   18   18   19   58   64   68   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     18   21   83      9   13   17   18   18   19   19   21   50   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     18   21   83      9   13   17   26   31   38   54   63   68   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     18   21   83      9   13   23   40   46   58   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     18   21   83      9   13   17   18   18   19   19   47   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     18   21   83      9   13   17   18   18   30   37   46   64   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     18   21   83      9   13   17   18   18   21   62   65   68   74   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     18   21   83      9   13   17   21   47   54   60   65   68   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     18   21   83      9   13   17   18   18   19   44   60   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     18   21   83      8   13   17   24   31   40   54   62   68   74   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     18   21   83      6   13   17   18   18   19   19   20   67   73   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     18   27   83      4   10   17   18   18   53   57   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     16   31   83      3    4    5   14   28   37   46   56   64   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E     20   32   83      4    4    5   19   23   30   37   43   59   71   80   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     21   35   83      4   15   22   28   32   41   54   62   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     21   61   83     12   19   33   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     21   61   83     16   19   27   41   52   59   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     21   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     21   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     21   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     21   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     21   61   83     16   21   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     21   61   83     16   20   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     21   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     21   61   83     16   19   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     21   61   83     16   19   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     21   61   83     16   19   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     21   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     21   61   83     16   19   24   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     21   61   83     16   19   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     22   61   83     16   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     22   61   83     16   19   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     22   61   83     10   19   26   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     22   61   83      3   11   26   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     22   61   83      3    4   25   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     22   61   83     10   16   25   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     22   61   83      8   16   25   36   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     22   61   83     10   16   24   33   46   55   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     22   61   83     10   16   25   35   50   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     22   61   83     10   16   28   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     22   61   83     10   16   25   36   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     22   61   83     10   16   24   33   50   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     22   61   83     10   16   25   39   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     22   61   83     10   16   30   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     22   61   83     10   16   25   36   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     22   61   83     10   16   25   36   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     22   61   83     10   16   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     22   61   83     10   16   30   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     22   61   83     10   16   25   39   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     22   61   83      7   16   25   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     22   61   83      8   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     22   61   83      6   18   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     24   61   83      8   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     24   61   83      3    7   22   37   51   59   63   65   69   74   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     24   61   83      5   14   25   41   52   60   63   65   69   74   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     24   61   83      5    5   22   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     24   61   83      5    5   15   39   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     24   61   83      5   11   27   41   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     24   61   83      7   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     24   61   83      7   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     24   61   83      9   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     24   61   83      9   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     24   61   83      9   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     24   61   83      8   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     24   61   83     11   21   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     24   61   83     11   21   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     24   61   83     11   23   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     24   61   83     11   21   34   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     24   61   83      9   19   25   42   52   60   63   65   69   75   81   82   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  62.28  (  25.53   61.32  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     23     34     42     52     60     63     65     69     75     81     82     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  19.28  27.71  40.96  50.60  62.65  72.29  75.90  78.31  83.13  90.36  97.59  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.76   1.03   1.29   1.60   1.93   2.00   2.11   2.42   2.96   3.16   3.23   3.36   3.36   3.36   3.36   3.36   3.36   3.36   3.36
GDT RMS_ALL_AT   4.38   4.14   3.87   3.68   3.57   3.52   3.51   3.51   3.44   3.37   3.37   3.37   3.36   3.36   3.36   3.36   3.36   3.36   3.36   3.36

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  E    14_E      E    14_E
#   possible swapping detected:  E    29_E      E    29_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    70_E      E    70_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     9.214     0    0.110   0.921    16.391    4.524    2.262
LGA    S     2_E      S     2_E     6.945     0    0.521   0.661     8.081   16.429   14.365
LGA    G     3_E      G     3_E     3.240     0    0.675   0.675     4.886   43.690   43.690
LGA    D     4_E      D     4_E     4.470     0    0.133   1.117     8.654   37.976   22.798
LGA    N     5_E      N     5_E     7.414     0    0.075   1.003    12.288   15.476    7.798
LGA    F     6_E      F     6_E     5.929     0    0.102   1.527    15.117   27.857   11.082
LGA    L     7_E      L     7_E     2.625     0    0.052   1.363     7.759   59.048   38.988
LGA    K     8_E      K     8_E     5.763     0    0.033   0.262    14.618   26.905   12.646
LGA    A     9_E      A     9_E     7.309     0    0.018   0.024     9.240   16.548   13.524
LGA    F    10_E      F    10_E     5.112     0    0.034   1.535    13.956   37.738   15.671
LGA    A    11_E      A    11_E     3.258     0    0.082   0.082     5.299   52.024   46.857
LGA    A    12_E      A    12_E     6.101     0    0.039   0.038     8.497   24.286   20.381
LGA    L    13_E      L    13_E     6.527     0    0.089   0.126    12.213   21.786   11.488
LGA    E    14_E      E    14_E     4.284     0    0.044   1.286     7.251   43.452   26.138
LGA    A    15_E      A    15_E     4.629     0    0.060   0.056     6.834   37.500   32.667
LGA    L    16_E      L    16_E     6.028     0    0.043   1.408    12.813   24.048   12.619
LGA    A    17_E      A    17_E     5.550     0    0.087   0.088     7.212   29.048   25.238
LGA    A    18_E      A    18_E     4.633     0    0.178   0.205     6.548   37.381   32.571
LGA    L    19_E      L    19_E     5.323     0    0.558   0.600    10.962   36.071   19.643
LGA    P    20_E      P    20_E     7.406     0    0.660   1.030    10.355    9.762    6.054
LGA    A    21_E      A    21_E     8.153     0    0.640   0.581    10.193    7.262    5.810
LGA    S    22_E      S    22_E     6.046     0    0.063   0.195     6.399   24.286   23.413
LGA    A    23_E      A    23_E     2.433     0    0.266   0.261     3.759   55.595   57.429
LGA    K    24_E      K    24_E     3.189     0    0.088   1.033     8.828   55.357   35.291
LGA    E    25_E      E    25_E     2.307     0    0.030   0.759     3.004   64.881   65.926
LGA    L    26_E      L    26_E     1.999     0    0.096   0.152     2.638   70.833   65.893
LGA    Q    27_E      Q    27_E     2.084     0    0.029   0.075     2.743   68.810   64.021
LGA    L    28_E      L    28_E     1.961     0    0.072   0.950     3.310   72.857   67.976
LGA    E    29_E      E    29_E     1.106     0    0.045   0.843     3.452   85.952   75.397
LGA    L    30_E      L    30_E     0.907     0    0.045   0.285     1.495   88.214   85.952
LGA    I    31_E      I    31_E     1.644     0    0.029   0.078     2.311   75.000   71.905
LGA    K    32_E      K    32_E     1.607     0    0.032   0.751     4.770   75.000   63.439
LGA    Q    33_E      Q    33_E     1.071     0    0.056   0.928     3.013   81.429   76.984
LGA    F    34_E      F    34_E     1.116     0    0.059   0.451     3.970   83.690   67.056
LGA    M    35_E      M    35_E     1.415     0    0.058   1.037     2.918   77.143   72.024
LGA    A    36_E      A    36_E     2.096     0    0.036   0.041     2.388   66.786   66.381
LGA    E    37_E      E    37_E     1.389     0    0.088   0.952     3.186   81.429   75.079
LGA    A    38_E      A    38_E     1.103     0    0.106   0.102     1.287   81.429   81.429
LGA    M    39_E      M    39_E     1.976     0    0.158   1.239     3.342   70.833   65.000
LGA    K    40_E      K    40_E     1.788     0    0.269   0.712     2.538   72.976   67.566
LGA    I    41_E      I    41_E     1.370     0    0.630   0.596     3.734   75.833   64.821
LGA    G    42_E      G    42_E     1.968     0    0.208   0.208     1.968   72.857   72.857
LGA    N    43_E      N    43_E     1.743     0    0.163   1.233     5.521   72.857   57.560
LGA    K    44_E      K    44_E     3.231     0    0.025   1.002    10.120   51.786   31.323
LGA    E    45_E      E    45_E     4.281     0    0.069   0.239     8.547   41.786   25.608
LGA    G    46_E      G    46_E     3.005     0    0.037   0.037     3.243   57.381   57.381
LGA    L    47_E      L    47_E     1.243     0    0.067   0.088     1.711   77.143   79.345
LGA    L    48_E      L    48_E     2.902     0    0.055   0.068     5.795   59.048   44.702
LGA    L    49_E      L    49_E     3.487     0    0.061   1.414     8.755   53.571   34.702
LGA    L    50_E      L    50_E     2.180     0    0.072   1.401     6.518   70.952   51.786
LGA    A    51_E      A    51_E     1.163     0    0.015   0.019     1.877   81.429   79.714
LGA    E    52_E      E    52_E     2.614     0    0.033   1.055     9.767   62.857   36.243
LGA    R    53_E      R    53_E     2.573     0    0.066   1.330     5.865   62.857   42.338
LGA    L    54_E      L    54_E     1.478     0    0.029   1.386     3.428   79.286   75.417
LGA    E    55_E      E    55_E     1.045     0    0.048   0.592     4.804   88.214   69.894
LGA    A    56_E      A    56_E     2.054     0    0.140   0.147     2.861   68.929   66.571
LGA    L    57_E      L    57_E     2.014     0    0.153   0.194     3.788   70.833   60.476
LGA    K    58_E      K    58_E     1.261     0    0.047   0.540     2.301   77.143   73.915
LGA    P    59_E      P    59_E     1.918     0    0.182   0.606     2.807   70.952   68.367
LGA    K    60_E      K    60_E     2.051     0    0.186   0.995     4.346   56.190   59.683
LGA    V    61_E      V    61_E     2.866     0    0.109   1.265     4.212   57.143   51.429
LGA    S    62_E      S    62_E     2.656     0    0.085   0.572     3.287   69.405   66.746
LGA    P    63_E      P    63_E     2.480     0    0.057   0.355     3.693   64.762   57.483
LGA    E    64_E      E    64_E     2.482     0    0.169   0.737     5.000   63.095   50.847
LGA    I    65_E      I    65_E     2.233     0    0.210   1.561     5.851   72.976   64.702
LGA    A    66_E      A    66_E     1.058     0    0.076   0.084     1.634   85.952   83.333
LGA    V    67_E      V    67_E     1.731     0    0.038   0.080     3.102   79.405   68.844
LGA    L    68_E      L    68_E     1.098     0    0.027   0.866     4.648   90.714   71.905
LGA    V    69_E      V    69_E     0.965     0    0.047   0.070     2.137   88.333   80.544
LGA    E    70_E      E    70_E     2.002     0    0.034   1.046     2.507   70.952   70.370
LGA    K    71_E      K    71_E     1.950     0    0.066   1.054     8.642   77.143   52.910
LGA    A    72_E      A    72_E     0.345     0    0.064   0.065     0.885   92.857   92.381
LGA    A    73_E      A    73_E     1.895     0    0.044   0.048     2.568   75.000   71.429
LGA    E    74_E      E    74_E     2.221     0    0.057   0.110     4.363   72.976   58.095
LGA    M    75_E      M    75_E     0.872     0    0.046   1.083     4.037   92.976   78.869
LGA    L    76_E      L    76_E     1.397     0    0.059   0.234     2.778   79.405   71.190
LGA    K    77_E      K    77_E     2.349     0    0.040   0.444     4.369   68.810   54.762
LGA    L    78_E      L    78_E     1.541     0    0.075   0.231     3.144   81.667   70.476
LGA    L    79_E      L    79_E     0.448     0    0.034   0.281     1.636   95.238   88.393
LGA    A    80_E      A    80_E     1.614     0    0.059   0.063     2.408   79.286   76.381
LGA    K    81_E      K    81_E     1.332     0    0.123   0.726     7.109   85.952   60.741
LGA    A    82_E      A    82_E     0.777     0    0.074   0.084     1.336   88.214   86.857
LGA    L    83_E      L    83_E     1.856     0    0.101   0.132     2.547   69.048   71.012

# 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):     3.360          3.108                  4.496           61.621   53.287

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     65    2.11    64.157    68.705     2.938

LGA_LOCAL      RMSD:   2.113  Number of atoms:   65  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.509  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.360  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.194029 * X  +  -0.953961 * Y  +   0.228717 * Z  + -21.883814
  Y_new =  -0.691008 * X  +   0.032584 * Y  +   0.722112 * Z  + -40.456703
  Z_new =  -0.696319 * X  +  -0.298156 * Y  +  -0.652872 * Z  + -50.499191 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.297054  0.770257 -2.713195   [DEG:  -74.3157   44.1325 -155.4546 ]
ZXZ:  2.834856  2.282166 -1.975365   [DEG:  162.4253  130.7585 -113.1801 ]
 
# END of job
