
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73       3_A - 75_A        4.98     6.14
  LONGEST_CONTINUOUS_SEGMENT:    73       4_A - 76_A        4.98     6.10
  LCS_AVERAGE:     91.56

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      31_A - 71_A        2.00     7.22
  LCS_AVERAGE:     45.86

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      31_A - 63_A        0.98     7.21
  LONGEST_CONTINUOUS_SEGMENT:    33      32_A - 64_A        0.98     7.15
  LCS_AVERAGE:     27.50

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A      3   36   73      0    4    4    4    4    4    4   23   32   33   37   40   43   51   57   60   62   65   69   71 
LCS_GDT     L     4_A     L     4_A     15   37   73     13   24   29   31   33   36   37   38   45   52   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     L     5_A     L     5_A     15   37   73     13   24   29   31   33   36   37   38   45   52   58   63   65   67   68   70   71   73   73   75 
LCS_GDT     C     6_A     C     6_A     15   37   73     13   24   29   31   33   36   37   43   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     P     7_A     P     7_A     15   37   73     13   24   29   31   33   36   37   38   41   43   55   63   65   67   68   70   71   73   73   75 
LCS_GDT     N     8_A     N     8_A     15   37   73     10   23   29   31   33   36   37   38   41   52   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     C     9_A     C     9_A     15   37   73     13   24   29   31   33   36   37   38   47   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     Q    10_A     Q    10_A     15   37   73     11   24   29   31   33   36   37   38   41   43   54   62   65   67   68   70   71   73   73   75 
LCS_GDT     V    11_A     V    11_A     15   37   73     11   24   29   31   33   36   37   38   43   53   58   63   65   67   68   70   71   73   73   75 
LCS_GDT     G    12_A     G    12_A     15   37   73     13   24   29   31   33   36   37   38   45   52   58   63   65   67   68   70   71   73   73   75 
LCS_GDT     M    13_A     M    13_A     15   37   73      8   24   29   31   33   36   37   45   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     R    14_A     R    14_A     15   37   73     13   24   29   31   33   36   37   38   45   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    15_A     E    15_A     15   37   73     13   24   29   31   33   36   37   38   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     V    16_A     V    16_A     15   37   73      9   24   29   31   33   36   37   38   41   43   55   61   65   67   68   70   71   73   73   75 
LCS_GDT     E    17_A     E    17_A     15   37   73      8   23   29   31   33   36   37   38   41   43   50   58   65   67   68   70   71   73   73   75 
LCS_GDT     R    18_A     R    18_A     15   37   73      3    8   18   31   33   36   37   38   41   42   43   46   50   54   63   69   71   73   73   75 
LCS_GDT     R    19_A     R    19_A     15   37   73      3    3   13   31   33   36   37   37   39   42   43   44   45   47   49   52   57   59   64   75 
LCS_GDT     G    20_A     G    20_A     15   37   73      4   14   28   31   33   36   37   38   41   42   43   46   50   61   68   69   71   73   73   75 
LCS_GDT     V    21_A     V    21_A     15   37   73      7   23   29   31   33   36   37   38   41   42   54   58   65   66   68   70   71   73   73   75 
LCS_GDT     L    22_A     L    22_A     15   37   73     11   23   29   31   33   37   45   45   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     I    23_A     I    23_A     15   37   73     13   24   29   31   33   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     D    24_A     D    24_A     15   37   73     13   24   29   31   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     V    25_A     V    25_A     15   37   73      8   24   29   31   33   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     C    26_A     C    26_A     15   37   73     13   24   29   31   33   42   45   45   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     P    27_A     P    27_A     15   37   73     11   24   29   31   33   36   37   42   48   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     Q    28_A     Q    28_A     15   40   73     11   24   29   31   33   36   45   45   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     C    29_A     C    29_A     15   40   73      4   24   29   31   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     G    30_A     G    30_A     15   40   73     13   24   29   31   33   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     G    31_A     G    31_A     33   41   73     13   24   29   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     V    32_A     V    32_A     33   41   73     13   24   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     W    33_A     W    33_A     33   41   73     15   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     L    34_A     L    34_A     33   41   73     16   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     D    35_A     D    35_A     33   41   73      6   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    36_A     K    36_A     33   41   73     16   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     G    37_A     G    37_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    38_A     E    38_A     33   41   73     16   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     L    39_A     L    39_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    40_A     E    40_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    41_A     K    41_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     L    42_A     L    42_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     L    43_A     L    43_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     A    44_A     A    44_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    45_A     E    45_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     A    46_A     A    46_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    47_A     E    47_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    48_A     E    48_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     V    49_A     V    49_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    50_A     E    50_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     R    51_A     R    51_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     R    52_A     R    52_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     Y    53_A     Y    53_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    54_A     E    54_A     33   41   73     18   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    55_A     E    55_A     33   41   73     16   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    56_A     E    56_A     33   41   73      8   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     L    57_A     L    57_A     33   41   73     18   26   31   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    58_A     E    58_A     33   41   73     11   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     G    59_A     G    59_A     33   41   73     11   25   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     F    60_A     F    60_A     33   41   73      7   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     Y    61_A     Y    61_A     33   41   73     11   26   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     R    62_A     R    62_A     33   41   73      7   16   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    63_A     K    63_A     33   41   73     11   18   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     E    64_A     E    64_A     33   41   73     11   18   32   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     G    65_A     G    65_A     27   41   73     11   18   30   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    66_A     K    66_A     23   41   73      6   16   30   36   37   42   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     P    67_A     P    67_A      8   41   73      5    7   14   29   36   41   45   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     Y    68_A     Y    68_A      8   41   73      5    7   14   27   35   38   42   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    69_A     K    69_A      8   41   73      5    7   10   20   34   38   40   42   47   52   59   63   64   67   68   70   71   73   73   75 
LCS_GDT     R    70_A     R    70_A      8   41   73      3    6   14   27   35   38   41   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    71_A     K    71_A      4   41   73      3    4   11   26   35   38   41   46   49   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     K    72_A     K    72_A     10   38   73      3    8   10   11   12   15   35   40   42   43   51   57   64   67   68   70   71   73   73   75 
LCS_GDT     G    73_A     G    73_A     10   11   73      6    8   10   11   15   20   40   42   47   53   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     F    74_A     F    74_A     10   11   73      6    8   10   11   14   38   41   46   51   55   59   63   65   67   68   70   71   73   73   75 
LCS_GDT     M    75_A     M    75_A     10   11   73      6    8   10   11   12   12   20   20   37   41   45   47   51   56   59   69   71   73   73   75 
LCS_GDT     K    76_A     K    76_A     10   11   73      6    8   13   28   32   36   37   38   41   42   45   47   50   51   55   58   61   66   73   75 
LCS_GDT     L    77_A     L    77_A     10   11   69      6    8   10   11   12   36   37   38   41   43   46   48   52   57   66   70   71   73   73   75 
LCS_GDT     F    78_A     F    78_A     10   11   68      6    8   10   11   19   31   37   40   42   43   46   48   52   60   65   70   71   73   73   75 
LCS_GDT     D    79_A     D    79_A     10   11   61      4    9   23   28   33   36   37   37   39   42   43   44   46   47   47   49   51   54   56   57 
LCS_GDT     L    80_A     L    80_A     10   11   60      3    8   26   29   32   35   37   37   39   42   43   44   46   47   47   49   50   54   56   56 
LCS_GDT     F    81_A     F    81_A     10   11   54      3   15   28   31   33   36   37   37   39   42   45   46   46   48   49   51   53   54   57   58 
LCS_AVERAGE  LCS_A:  54.97  (  27.50   45.86   91.56 )

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     18     26     32     36     37     42     45     46     51     55     59     63     65     67     68     70     71     73     73     75 
GDT PERCENT_AT  22.78  32.91  40.51  45.57  46.84  53.16  56.96  58.23  64.56  69.62  74.68  79.75  82.28  84.81  86.08  88.61  89.87  92.41  92.41  94.94
GDT RMS_LOCAL    0.27   0.58   0.97   1.15   1.30   1.85   2.16   2.31   2.82   3.17   3.49   3.74   3.95   4.07   4.15   4.41   4.55   4.78   4.78   5.14
GDT RMS_ALL_AT   8.13   7.58   7.13   7.06   6.99   6.84   6.76   6.67   6.49   6.41   6.28   6.27   6.30   6.21   6.20   6.14   6.11   6.09   6.09   6.06

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    79_A      D    79_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A    15.629     0    0.209   1.345    18.060    0.000    0.000
LGA    L     4_A      L     4_A     8.844     0    0.615   0.527    11.457    2.143    8.571
LGA    L     5_A      L     5_A     9.574     4    0.044   0.044     9.574    1.905    0.952
LGA    C     6_A      C     6_A     7.148     0    0.059   0.809     8.510    6.190   12.540
LGA    P     7_A      P     7_A     8.268     0    0.193   0.425     8.704    5.595    8.571
LGA    N     8_A      N     8_A     8.077     0    0.381   0.331     8.826    4.881    6.071
LGA    C     9_A      C     9_A     8.672     0    0.134   0.137    10.649    2.024    4.762
LGA    Q    10_A      Q    10_A    10.608     0    0.053   1.060    12.639    0.119    0.053
LGA    V    11_A      V    11_A    10.207     0    0.047   0.068    10.240    0.595    0.816
LGA    G    12_A      G    12_A    10.292     0    0.044   0.044    10.463    0.714    0.714
LGA    M    13_A      M    13_A     7.479     0    0.045   0.724     8.436    6.667   13.036
LGA    R    14_A      R    14_A     8.147     0    0.047   0.928    11.992    9.762    4.286
LGA    E    15_A      E    15_A     7.166     0    0.008   0.690     8.965    6.786   16.931
LGA    V    16_A      V    16_A     7.995     0    0.094   1.072    10.842    9.405    8.503
LGA    E    17_A      E    17_A     8.295     0    0.640   0.886    12.511    4.881    2.540
LGA    R    18_A      R    18_A    10.695     3    0.392   0.372    11.372    0.000    0.173
LGA    R    19_A      R    19_A    13.819     5    0.075   0.379    17.242    0.000    0.000
LGA    G    20_A      G    20_A     9.794     0    0.096   0.096    10.989    3.810    3.810
LGA    V    21_A      V    21_A     7.183     0    0.036   1.099     8.486   11.310   10.000
LGA    L    22_A      L    22_A     4.445     0    0.023   0.887     5.025   40.952   43.036
LGA    I    23_A      I    23_A     3.500     0    0.037   0.232     5.286   38.810   37.381
LGA    D    24_A      D    24_A     3.444     0    0.028   0.519     3.964   53.571   49.286
LGA    V    25_A      V    25_A     4.481     0    0.117   1.025     7.176   29.405   26.463
LGA    C    26_A      C    26_A     5.170     0    0.116   0.786     6.109   26.548   26.746
LGA    P    27_A      P    27_A     8.067     0    0.042   0.082     9.532    6.667    5.102
LGA    Q    28_A      Q    28_A     7.217     0    0.307   1.143     8.724   11.786    7.937
LGA    C    29_A      C    29_A     3.709     0    0.059   0.802     4.669   45.476   43.889
LGA    G    30_A      G    30_A     3.367     0    0.038   0.038     3.412   53.571   53.571
LGA    G    31_A      G    31_A     1.078     0    0.042   0.042     1.796   77.143   77.143
LGA    V    32_A      V    32_A     1.090     0    0.093   1.129     4.821   77.262   68.299
LGA    W    33_A      W    33_A     1.612     0    0.046   0.194     5.788   81.548   50.068
LGA    L    34_A      L    34_A     1.576     0    0.061   0.733     2.625   72.857   70.952
LGA    D    35_A      D    35_A     1.558     0    0.110   1.249     4.742   77.143   66.845
LGA    K    36_A      K    36_A     1.853     0    0.041   0.854     6.029   68.810   57.249
LGA    G    37_A      G    37_A     2.652     0    0.106   0.106     2.652   62.857   62.857
LGA    E    38_A      E    38_A     2.165     0    0.005   0.204     3.691   68.810   60.053
LGA    L    39_A      L    39_A     1.468     0    0.062   0.076     1.678   75.000   78.214
LGA    E    40_A      E    40_A     1.520     0    0.030   0.099     1.566   77.143   79.524
LGA    K    41_A      K    41_A     1.477     0    0.037   0.540     3.266   79.286   70.635
LGA    L    42_A      L    42_A     1.452     0    0.028   1.375     4.672   81.429   70.000
LGA    L    43_A      L    43_A     0.965     0    0.031   0.058     1.166   88.214   84.821
LGA    A    44_A      A    44_A     0.849     0    0.035   0.036     0.991   90.476   90.476
LGA    E    45_A      E    45_A     0.968     0    0.035   0.901     3.203   88.214   78.148
LGA    A    46_A      A    46_A     0.853     0    0.047   0.052     1.050   88.214   88.667
LGA    E    47_A      E    47_A     0.897     0    0.035   0.588     3.105   90.476   79.206
LGA    E    48_A      E    48_A     0.970     0    0.042   0.849     2.854   83.810   80.794
LGA    V    49_A      V    49_A     1.561     0    0.019   0.043     1.825   75.000   74.082
LGA    E    50_A      E    50_A     1.600     0    0.014   0.636     1.994   72.857   73.810
LGA    R    51_A      R    51_A     1.630     0    0.020   1.445    10.464   72.857   43.723
LGA    R    52_A      R    52_A     1.794     0    0.019   1.230     6.301   70.833   57.879
LGA    Y    53_A      Y    53_A     2.141     0    0.027   1.274    10.109   64.762   37.381
LGA    E    54_A      E    54_A     2.342     0    0.036   0.995     7.042   64.762   44.497
LGA    E    55_A      E    55_A     1.399     0    0.011   0.108     1.714   79.286   80.476
LGA    E    56_A      E    56_A     1.576     0    0.018   0.778     3.943   75.000   63.810
LGA    L    57_A      L    57_A     2.763     0    0.037   0.111     4.844   62.857   50.060
LGA    E    58_A      E    58_A     2.301     0    0.035   0.914     5.111   68.810   51.799
LGA    G    59_A      G    59_A     0.710     0    0.064   0.064     1.287   88.214   88.214
LGA    F    60_A      F    60_A     1.525     0    0.011   0.094     2.809   75.000   65.714
LGA    Y    61_A      Y    61_A     2.368     0    0.085   1.386    12.089   68.810   32.738
LGA    R    62_A      R    62_A     1.687     0    0.014   1.422     6.212   77.143   63.550
LGA    K    63_A      K    63_A     0.269     2    0.065   0.674     2.905   97.619   71.958
LGA    E    64_A      E    64_A     0.491     0    0.105   0.791     2.893   95.238   82.222
LGA    G    65_A      G    65_A     0.513     0    0.036   0.036     0.563   92.857   92.857
LGA    K    66_A      K    66_A     0.402     3    0.025   0.033     1.363   90.714   60.423
LGA    P    67_A      P    67_A     2.574     0    0.026   0.361     3.125   61.071   60.612
LGA    Y    68_A      Y    68_A     4.190     0    0.095   1.388    10.680   33.214   22.579
LGA    K    69_A      K    69_A     6.477     2    0.064   0.578    11.134   22.738   10.794
LGA    R    70_A      R    70_A     4.502     0    0.666   1.441     6.697   25.238   25.281
LGA    K    71_A      K    71_A     5.096     0    0.082   0.721     6.940   22.024   22.328
LGA    K    72_A      K    72_A     9.013     0    0.364   0.711    17.662    5.000    2.222
LGA    G    73_A      G    73_A     5.748     0    0.079   0.079     6.346   21.548   21.548
LGA    F    74_A      F    74_A     4.194     0    0.023   0.066     8.195   26.190   21.342
LGA    M    75_A      M    75_A    10.869     0    0.082   0.855    14.398    1.190    0.595
LGA    K    76_A      K    76_A    12.772     0    0.019   0.176    16.410    0.000    0.000
LGA    L    77_A      L    77_A     9.171     0    0.030   1.389    10.241    0.833    3.214
LGA    F    78_A      F    78_A     9.497     0    0.195   0.700    12.661    1.071    5.671
LGA    D    79_A      D    79_A    16.456     0    0.069   1.076    19.206    0.000    0.000
LGA    L    80_A      L    80_A    16.213     0    0.059   0.979    16.707    0.000    0.000
LGA    F    81_A      F    81_A    14.410     0    0.064   0.174    17.495    0.000    1.212

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):     6.021          6.072                  6.563           43.354   38.510

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     46    2.31    56.329    55.452     1.905

LGA_LOCAL      RMSD:   2.315  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.674  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   6.021  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.880552 * X  +  -0.380250 * Y  +  -0.282909 * Z  + -14.893976
  Y_new =   0.464801 * X  +  -0.576120 * Y  +  -0.672344 * Z  +  -6.769087
  Z_new =   0.092670 * X  +  -0.723530 * Y  +   0.684044 * Z  +  37.415585 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.655913 -0.092803 -0.813443   [DEG:  152.1726   -5.3172  -46.6069 ]
ZXZ: -0.398290  0.817504  3.014206   [DEG:  -22.8204   46.8395  172.7013 ]
 
# END of job
