
#######################################################
#                                                     #
#                        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        2.70     2.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      29_E - 83_E        1.99     2.92
  LCS_AVERAGE:     54.07

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      42_E - 83_E        0.73     3.48
  LCS_AVERAGE:     37.19

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   23   83      3    3    3    3    4   45   49   53   57   66   78   82   82   83   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E     20   23   83     16   19   20   26   38   57   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     20   23   83     16   19   32   45   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     20   23   83     16   19   20   26   34   50   68   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     20   23   83     16   19   20   26   31   44   67   77   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     20   23   83     16   19   43   47   52   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     20   23   83     16   19   21   43   51   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     20   23   83     16   19   20   26   31   44   64   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     20   23   83     16   19   20   26   30   44   68   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     20   23   83     16   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     20   23   83     16   19   20   43   50   66   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     20   23   83     16   19   20   26   31   45   67   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     20   23   83     16   19   20   32   53   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     20   23   83     16   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     20   23   83     16   19   20   45   50   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     20   23   83     16   19   20   26   45   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     20   23   83     16   19   41   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     20   23   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     20   24   83      9   19   30   45   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     20   25   83      9   19   21   38   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E     20   25   83      4   15   20   28   53   64   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     15   26   83      4    6   14   21   36   56   67   77   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     20   27   83     14   17   19   29   50   64   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     20   27   83     14   17   19   19   40   57   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     20   33   83     15   17   19   28   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     20   33   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     20   33   83     15   17   19   34   54   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     20   33   83     15   17   19   29   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     20   55   83     15   17   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     20   55   83      4   16   19   34   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     20   55   83      4   14   19   19   32   55   69   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     42   55   83      3   31   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     42   55   83     25   39   44   47   50   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     42   55   83     16   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     42   55   83     24   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     42   55   83     24   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     42   55   83     24   39   44   47   55   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     42   55   83     24   39   44   47   51   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     42   55   83     10   39   44   47   50   64   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     42   55   83     19   37   44   47   50   58   70   76   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     42   55   83      9   36   44   47   50   64   71   77   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     42   55   83      5   38   44   47   55   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     42   55   83      9   18   44   47   55   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     42   55   83      9   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     42   55   83     22   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     42   55   83     19   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     42   55   83     22   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     42   55   83     20   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     42   55   83     20   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     42   55   83     25   39   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     42   55   83      4   33   44   47   56   67   71   78   81   82   82   82   82   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  63.75  (  37.19   54.07  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     25     39     44     47     56     67     71     78     81     82     82     82     82     83     83     83     83     83     83     83 
GDT PERCENT_AT  30.12  46.99  53.01  56.63  67.47  80.72  85.54  93.98  97.59  98.80  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.68   0.85   1.87   2.06   2.18   2.44   2.53   2.58   2.58   2.58   2.58   2.70   2.70   2.70   2.70   2.70   2.70   2.70
GDT RMS_ALL_AT   3.47   3.47   3.48   3.39   2.82   2.76   2.75   2.71   2.70   2.70   2.70   2.70   2.70   2.70   2.70   2.70   2.70   2.70   2.70   2.70

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    45_E      E    45_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     7.915     0    0.538   0.582    16.668   18.333    9.345
LGA    S     2_E      S     2_E     4.057     0    0.366   0.662     8.382   39.167   29.127
LGA    G     3_E      G     3_E     1.471     0    0.069   0.069     2.333   72.976   72.976
LGA    D     4_E      D     4_E     4.467     0    0.028   1.072     9.049   37.262   22.440
LGA    N     5_E      N     5_E     4.864     0    0.007   0.985     8.728   37.262   24.583
LGA    F     6_E      F     6_E     2.059     0    0.107   0.237     5.569   69.048   52.035
LGA    L     7_E      L     7_E     2.473     0    0.034   0.193     5.386   62.976   48.750
LGA    K     8_E      K     8_E     4.417     0    0.052   0.267     9.902   38.690   22.222
LGA    A     9_E      A     9_E     4.148     0    0.049   0.075     5.161   45.119   41.333
LGA    F    10_E      F    10_E     1.554     0    0.047   0.514     6.035   75.119   52.900
LGA    A    11_E      A    11_E     2.643     0    0.061   0.077     3.808   61.071   57.524
LGA    A    12_E      A    12_E     3.997     0    0.017   0.023     5.177   48.333   43.905
LGA    L    13_E      L    13_E     2.573     0    0.025   0.851     5.350   65.000   54.583
LGA    E    14_E      E    14_E     1.308     0    0.027   1.091     3.315   81.548   73.333
LGA    A    15_E      A    15_E     2.550     0    0.035   0.048     3.630   64.881   60.571
LGA    L    16_E      L    16_E     2.749     0    0.020   1.269     7.634   62.857   42.024
LGA    A    17_E      A    17_E     1.901     0    0.061   0.063     2.377   72.857   71.238
LGA    A    18_E      A    18_E     1.590     0    0.011   0.035     2.318   77.143   74.667
LGA    L    19_E      L    19_E     1.676     0    0.052   0.163     4.298   75.000   60.952
LGA    P    20_E      P    20_E     2.286     0    0.021   0.092     2.667   62.976   64.898
LGA    A    21_E      A    21_E     3.583     0    0.081   0.090     4.561   43.452   41.048
LGA    S    22_E      S    22_E     5.018     0    0.032   0.309     5.848   30.238   28.968
LGA    A    23_E      A    23_E     3.711     0    0.365   0.344     3.711   46.667   47.333
LGA    K    24_E      K    24_E     3.585     0    0.065   0.947     9.977   51.905   30.794
LGA    E    25_E      E    25_E     2.658     0    0.045   0.880     4.354   57.143   54.127
LGA    L    26_E      L    26_E     2.882     0    0.028   0.988     5.111   55.357   53.631
LGA    Q    27_E      Q    27_E     3.088     0    0.013   0.538     5.770   53.571   41.640
LGA    L    28_E      L    28_E     2.618     0    0.049   1.041     4.630   57.143   53.988
LGA    E    29_E      E    29_E     2.773     0    0.055   1.001     3.205   57.143   60.794
LGA    L    30_E      L    30_E     2.858     0    0.065   0.491     3.909   57.143   51.964
LGA    I    31_E      I    31_E     2.610     0    0.015   0.028     3.068   57.143   56.250
LGA    K    32_E      K    32_E     2.775     0    0.036   0.747     5.232   55.357   49.101
LGA    Q    33_E      Q    33_E     3.270     0    0.026   0.814     3.824   50.000   57.196
LGA    F    34_E      F    34_E     3.083     0    0.028   1.222     6.610   53.571   40.996
LGA    M    35_E      M    35_E     2.580     0    0.086   0.763     3.041   57.143   59.107
LGA    A    36_E      A    36_E     3.218     0    0.022   0.033     3.499   51.786   51.429
LGA    E    37_E      E    37_E     3.299     0    0.044   0.595     3.879   50.000   52.487
LGA    A    38_E      A    38_E     3.031     0    0.111   0.126     3.222   51.786   52.857
LGA    M    39_E      M    39_E     2.892     0    0.115   1.137     4.211   57.143   54.643
LGA    K    40_E      K    40_E     3.148     0    0.159   0.853     4.182   46.905   48.677
LGA    I    41_E      I    41_E     4.157     0    0.599   0.961     7.268   41.905   34.821
LGA    G    42_E      G    42_E     1.718     0    0.136   0.136     2.440   72.976   72.976
LGA    N    43_E      N    43_E     2.889     0    0.221   0.802     6.159   60.952   48.095
LGA    K    44_E      K    44_E     2.153     0    0.028   0.819     3.073   66.905   65.873
LGA    E    45_E      E    45_E     2.069     0    0.012   0.670     3.479   68.810   61.587
LGA    G    46_E      G    46_E     2.241     0    0.011   0.011     2.241   66.786   66.786
LGA    L    47_E      L    47_E     1.584     0    0.018   0.174     2.153   77.143   76.131
LGA    L    48_E      L    48_E     0.966     0    0.053   0.150     1.219   83.690   87.143
LGA    L    49_E      L    49_E     1.554     0    0.015   1.347     5.297   75.000   63.274
LGA    L    50_E      L    50_E     1.833     0    0.062   0.221     3.832   77.143   65.476
LGA    A    51_E      A    51_E     1.101     0    0.017   0.019     1.309   85.952   86.857
LGA    E    52_E      E    52_E     0.339     0    0.003   1.088     3.974   97.619   79.471
LGA    R    53_E      R    53_E     0.973     0    0.027   0.829     3.113   85.952   76.450
LGA    L    54_E      L    54_E     1.324     0    0.075   0.795     1.690   81.429   80.417
LGA    E    55_E      E    55_E     0.938     0    0.040   0.625     2.095   90.476   85.608
LGA    A    56_E      A    56_E     0.459     0    0.027   0.037     0.739   92.857   94.286
LGA    L    57_E      L    57_E     1.374     0    0.062   0.146     2.131   77.381   75.119
LGA    K    58_E      K    58_E     2.142     0    0.051   0.639     2.588   64.881   64.815
LGA    P    59_E      P    59_E     2.534     0    0.080   0.115     3.137   57.262   61.633
LGA    K    60_E      K    60_E     2.519     0    0.049   0.905     5.181   59.048   54.233
LGA    V    61_E      V    61_E     3.255     0    0.033   0.085     3.575   48.452   53.265
LGA    S    62_E      S    62_E     4.266     0    0.037   0.573     4.704   43.452   42.540
LGA    P    63_E      P    63_E     3.708     0    0.119   0.361     5.069   48.452   41.224
LGA    E    64_E      E    64_E     3.093     0    0.195   0.725     4.706   50.119   45.079
LGA    I    65_E      I    65_E     2.821     0    0.190   1.255     4.498   59.048   52.143
LGA    A    66_E      A    66_E     2.455     0    0.056   0.065     2.629   64.881   63.333
LGA    V    67_E      V    67_E     1.919     0    0.023   0.117     2.184   70.833   68.231
LGA    L    68_E      L    68_E     2.008     0    0.014   1.393     5.436   68.810   54.345
LGA    V    69_E      V    69_E     1.586     0    0.016   0.050     1.828   77.143   75.306
LGA    E    70_E      E    70_E     1.104     0    0.071   0.275     1.348   85.952   83.439
LGA    K    71_E      K    71_E     1.158     0    0.059   1.012     5.573   81.429   68.571
LGA    A    72_E      A    72_E     1.226     0    0.042   0.059     1.336   81.429   81.429
LGA    A    73_E      A    73_E     0.985     0    0.024   0.022     1.045   88.214   88.667
LGA    E    74_E      E    74_E     0.854     0    0.093   0.654     2.727   90.476   84.762
LGA    M    75_E      M    75_E     1.032     0    0.017   1.014     4.298   83.690   68.333
LGA    L    76_E      L    76_E     1.228     0    0.036   0.307     2.193   81.429   79.345
LGA    K    77_E      K    77_E     0.783     0    0.017   0.478     1.475   90.476   89.524
LGA    L    78_E      L    78_E     0.932     0    0.097   0.143     1.010   88.214   89.345
LGA    L    79_E      L    79_E     1.389     0    0.023   0.179     2.049   81.429   76.131
LGA    A    80_E      A    80_E     1.598     0    0.013   0.014     1.684   75.000   74.571
LGA    K    81_E      K    81_E     1.232     0    0.045   1.032     5.614   81.429   67.831
LGA    A    82_E      A    82_E     1.289     0    0.023   0.026     1.473   81.429   81.429
LGA    L    83_E      L    83_E     1.237     0    0.613   0.673     2.264   77.143   77.262

# 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):     2.697          2.582                  3.311           64.956   59.923

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     78    2.44    74.398    73.024     3.071

LGA_LOCAL      RMSD:   2.440  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.706  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.697  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.413654 * X  +  -0.813755 * Y  +   0.408281 * Z  + -30.673916
  Y_new =   0.458312 * X  +  -0.201362 * Y  +  -0.865681 * Z  + -47.515503
  Z_new =   0.786665 * X  +   0.545212 * Y  +   0.289659 * Z  + -71.927544 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.836569 -0.905388  1.082440   [DEG:   47.9319  -51.8749   62.0193 ]
ZXZ:  0.440695  1.276925  0.964738   [DEG:   25.2500   73.1624   55.2754 ]
 
# END of job
