
#######################################################
#                                                     #
#                        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        4.93     6.13
  LCS_AVERAGE:     91.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      28_A - 68_A        1.92     6.78
  LONGEST_CONTINUOUS_SEGMENT:    41      29_A - 69_A        1.87     6.81
  LCS_AVERAGE:     45.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      32_A - 65_A        1.00     7.00
  LCS_AVERAGE:     27.99

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      4   37   73      4    4   10   28   32   34   37   38   40   46   49   54   61   66   67   68   72   72   74   75 
LCS_GDT     L     4_A     L     4_A     14   37   73      4   17   25   30   33   36   37   38   40   46   49   58   64   66   68   70   72   72   74   75 
LCS_GDT     L     5_A     L     5_A     14   37   73      7   19   26   30   33   36   37   38   40   52   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     C     6_A     C     6_A     14   37   73      6   19   26   30   33   36   38   45   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     P     7_A     P     7_A     14   37   73      6   19   26   30   33   36   37   38   40   46   56   60   64   66   68   70   72   72   74   75 
LCS_GDT     N     8_A     N     8_A     14   37   73      6   19   26   30   33   36   37   38   40   46   56   60   64   66   68   70   72   72   74   75 
LCS_GDT     C     9_A     C     9_A     14   37   73      6   19   26   30   33   36   37   38   45   51   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     Q    10_A     Q    10_A     14   37   73      4   19   26   30   33   36   37   38   40   46   49   58   64   66   68   70   72   72   74   75 
LCS_GDT     V    11_A     V    11_A     14   37   73      4   19   25   30   33   36   37   38   43   50   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     G    12_A     G    12_A     14   37   73      3   19   26   30   33   36   37   38   40   46   49   58   64   66   68   70   72   72   74   75 
LCS_GDT     M    13_A     M    13_A     14   37   73      7   19   26   30   33   36   37   44   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     R    14_A     R    14_A     14   37   73      7   19   26   30   33   36   37   38   40   52   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    15_A     E    15_A     14   37   73      7   19   26   30   33   36   37   38   41   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     V    16_A     V    16_A     14   37   73      7   19   26   30   33   36   37   38   40   42   53   58   63   66   68   70   72   72   74   75 
LCS_GDT     E    17_A     E    17_A     14   37   73      7   17   26   30   33   36   37   38   40   42   45   58   62   65   68   70   72   72   74   75 
LCS_GDT     R    18_A     R    18_A     14   37   73      3   10   17   30   33   36   37   38   40   42   44   45   48   51   54   67   71   72   74   75 
LCS_GDT     R    19_A     R    19_A     14   37   73      3    8   16   23   33   36   37   38   40   42   44   45   46   50   53   57   67   72   74   75 
LCS_GDT     G    20_A     G    20_A     14   37   73      3   13   18   30   33   36   37   38   40   42   44   45   48   59   65   67   71   72   74   75 
LCS_GDT     V    21_A     V    21_A     15   37   73      7   17   26   30   33   36   37   38   40   42   52   58   62   65   68   70   72   72   74   75 
LCS_GDT     L    22_A     L    22_A     15   37   73      7   18   26   30   33   36   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     I    23_A     I    23_A     15   37   73      7   19   26   30   33   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     D    24_A     D    24_A     15   37   73      7   19   26   30   37   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     V    25_A     V    25_A     15   37   73      7   19   26   30   33   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     C    26_A     C    26_A     15   37   73      7   19   26   30   33   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     P    27_A     P    27_A     15   37   73      6   18   26   30   33   36   37   38   40   50   54   60   64   66   68   70   72   72   74   75 
LCS_GDT     Q    28_A     Q    28_A     15   41   73      4   18   26   30   33   38   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     C    29_A     C    29_A     15   41   73      5   18   26   30   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     G    30_A     G    30_A     15   41   73      6   19   26   30   33   39   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     G    31_A     G    31_A     33   41   73      7   19   26   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     V    32_A     V    32_A     34   41   73      7   19   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     W    33_A     W    33_A     34   41   73      7   28   31   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     L    34_A     L    34_A     34   41   73     16   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     D    35_A     D    35_A     34   41   73      5   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    36_A     K    36_A     34   41   73      5   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     G    37_A     G    37_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    38_A     E    38_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     L    39_A     L    39_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    40_A     E    40_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    41_A     K    41_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     L    42_A     L    42_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     L    43_A     L    43_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     A    44_A     A    44_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    45_A     E    45_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     A    46_A     A    46_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    47_A     E    47_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    48_A     E    48_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     V    49_A     V    49_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    50_A     E    50_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     R    51_A     R    51_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     R    52_A     R    52_A     34   41   73     18   27   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     Y    53_A     Y    53_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    54_A     E    54_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    55_A     E    55_A     34   41   73     16   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    56_A     E    56_A     34   41   73     11   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     L    57_A     L    57_A     34   41   73     18   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    58_A     E    58_A     34   41   73     10   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     G    59_A     G    59_A     34   41   73      9   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     F    60_A     F    60_A     34   41   73      9   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     Y    61_A     Y    61_A     34   41   73     12   28   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     R    62_A     R    62_A     34   41   73      8   23   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    63_A     K    63_A     34   41   73      6   18   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     E    64_A     E    64_A     34   41   73      4   18   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     G    65_A     G    65_A     34   41   73      6   18   33   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    66_A     K    66_A     31   41   73      4   18   32   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     P    67_A     P    67_A     18   41   73      4   18   27   36   38   42   45   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     Y    68_A     Y    68_A      6   41   73      4    5    7   30   36   39   44   46   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    69_A     K    69_A      4   41   73      4    4   12   21   34   37   41   45   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     R    70_A     R    70_A      4   40   73      4    4    7    9   13   21   33   40   42   46   54   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    71_A     K    71_A      3   40   73      4    4    5   10   27   37   41   45   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     K    72_A     K    72_A     10   14   73      4    9   10   11   13   15   23   36   41   43   47   54   62   66   68   70   72   72   74   75 
LCS_GDT     G    73_A     G    73_A     10   11   73      5    9   10   11   12   37   41   44   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     F    74_A     F    74_A     10   11   73      5    9   10   11   17   38   41   45   49   53   57   60   64   66   68   70   72   72   74   75 
LCS_GDT     M    75_A     M    75_A     10   11   73      5    9   10   11   13   15   19   28   32   40   43   48   52   56   59   65   72   72   74   75 
LCS_GDT     K    76_A     K    76_A     10   11   72      5    9   11   20   28   33   36   38   40   42   45   48   50   53   56   59   63   67   73   75 
LCS_GDT     L    77_A     L    77_A     10   11   67      5    9   10   16   22   28   35   38   40   43   45   48   52   58   65   70   72   72   74   75 
LCS_GDT     F    78_A     F    78_A     10   11   66      5    9   10   11   18   31   36   40   41   43   45   48   52   58   65   70   72   72   74   75 
LCS_GDT     D    79_A     D    79_A     10   11   61      3    9   10   24   33   36   37   38   40   42   44   45   46   48   49   50   51   54   56   58 
LCS_GDT     L    80_A     L    80_A     10   11   59      3   12   22   30   32   34   37   38   40   42   44   45   46   48   48   50   51   52   56   56 
LCS_GDT     F    81_A     F    81_A     10   11   54      3   15   26   30   33   36   37   38   40   42   44   45   46   48   49   50   51   54   56   58 
LCS_AVERAGE  LCS_A:  54.99  (  27.99   45.51   91.46 )

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     28     33     36     38     42     45     46     49     53     57     60     64     66     68     70     72     72     74     75 
GDT PERCENT_AT  22.78  35.44  41.77  45.57  48.10  53.16  56.96  58.23  62.03  67.09  72.15  75.95  81.01  83.54  86.08  88.61  91.14  91.14  93.67  94.94
GDT RMS_LOCAL    0.28   0.63   0.98   1.09   1.34   1.83   2.15   2.23   2.59   3.01   3.41   3.61   3.90   4.09   4.26   4.52   4.73   4.73   4.97   5.13
GDT RMS_ALL_AT   7.83   7.23   7.03   6.98   6.90   6.75   6.73   6.69   6.57   6.38   6.31   6.28   6.26   6.21   6.19   6.12   6.10   6.10   6.08   6.05

# 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    61_A      Y    61_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    74_A      F    74_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    12.153     0    0.545   0.940    13.031    0.000    0.357
LGA    L     4_A      L     4_A    10.401     0    0.131   1.044    12.609    1.071    0.595
LGA    L     5_A      L     5_A     8.743     4    0.082   0.082     9.552    4.405    2.202
LGA    C     6_A      C     6_A     5.696     0    0.091   0.122     7.608   13.810   21.667
LGA    P     7_A      P     7_A     7.785     0    0.009   0.026     9.269    6.667   10.340
LGA    N     8_A      N     8_A     7.353     0    0.281   0.268     8.788    7.500   11.131
LGA    C     9_A      C     9_A     7.285     0    0.106   0.126     9.372    6.548   12.460
LGA    Q    10_A      Q    10_A     9.343     0    0.068   1.005    11.832    1.905    0.899
LGA    V    11_A      V    11_A     8.653     0    0.627   0.604     8.653    6.429    6.667
LGA    G    12_A      G    12_A     9.815     0    0.219   0.219     9.999    1.310    1.310
LGA    M    13_A      M    13_A     6.800     0    0.007   0.751     8.134    8.810   16.964
LGA    R    14_A      R    14_A     7.713     0    0.051   0.615    10.799   13.810    5.758
LGA    E    15_A      E    15_A     7.131     0    0.013   0.684     9.036    6.429    6.878
LGA    V    16_A      V    16_A     8.077     0    0.066   1.082    10.790    8.810    8.163
LGA    E    17_A      E    17_A     8.443     0    0.603   0.880    12.344    3.810    2.063
LGA    R    18_A      R    18_A    10.886     3    0.377   0.660    12.741    0.000    0.303
LGA    R    19_A      R    19_A    11.805     5    0.132   0.410    14.406    0.000    0.000
LGA    G    20_A      G    20_A     9.313     0    0.209   0.209    10.195    5.476    5.476
LGA    V    21_A      V    21_A     7.077     0    0.024   1.126     8.286   11.310   10.000
LGA    L    22_A      L    22_A     4.526     0    0.036   0.256     5.102   39.524   37.679
LGA    I    23_A      I    23_A     3.347     0    0.022   0.682     5.007   43.571   39.762
LGA    D    24_A      D    24_A     2.797     0    0.020   0.515     3.761   62.976   56.548
LGA    V    25_A      V    25_A     3.551     0    0.141   1.036     6.919   39.048   34.830
LGA    C    26_A      C    26_A     3.715     0    0.108   0.778     4.779   39.048   41.746
LGA    P    27_A      P    27_A     7.409     0    0.096   0.406     9.188   12.619   10.000
LGA    Q    28_A      Q    28_A     5.210     0    0.337   1.146     6.443   29.048   24.868
LGA    C    29_A      C    29_A     2.027     0    0.061   0.800     3.428   57.262   61.587
LGA    G    30_A      G    30_A     3.647     0    0.025   0.025     3.958   48.452   48.452
LGA    G    31_A      G    31_A     2.405     0    0.025   0.025     2.405   68.810   68.810
LGA    V    32_A      V    32_A     1.999     0    0.076   1.177     5.584   63.095   56.531
LGA    W    33_A      W    33_A     2.368     0    0.098   1.513     7.054   72.976   51.122
LGA    L    34_A      L    34_A     1.949     0    0.079   0.792     3.715   66.786   62.143
LGA    D    35_A      D    35_A     1.940     0    0.091   1.252     4.583   72.857   65.714
LGA    K    36_A      K    36_A     1.775     0    0.034   0.847     4.294   72.857   67.143
LGA    G    37_A      G    37_A     2.162     0    0.110   0.110     2.162   66.786   66.786
LGA    E    38_A      E    38_A     2.042     0    0.006   0.236     3.424   68.810   60.794
LGA    L    39_A      L    39_A     1.709     0    0.025   1.405     4.816   72.857   64.702
LGA    E    40_A      E    40_A     1.448     0    0.030   0.154     1.650   79.286   79.524
LGA    K    41_A      K    41_A     1.287     0    0.037   0.540     2.863   81.429   76.032
LGA    L    42_A      L    42_A     1.615     0    0.016   1.372     4.564   77.143   68.810
LGA    L    43_A      L    43_A     1.208     0    0.028   0.069     1.470   83.690   82.560
LGA    A    44_A      A    44_A     0.798     0    0.037   0.039     0.971   90.476   90.476
LGA    E    45_A      E    45_A     1.253     0    0.033   0.902     2.781   81.429   74.921
LGA    A    46_A      A    46_A     1.110     0    0.045   0.050     1.171   83.690   83.238
LGA    E    47_A      E    47_A     0.694     0    0.032   0.587     2.360   90.476   82.698
LGA    E    48_A      E    48_A     1.120     0    0.046   0.844     2.521   81.548   77.831
LGA    V    49_A      V    49_A     1.729     0    0.022   0.050     2.081   75.000   72.925
LGA    E    50_A      E    50_A     1.377     0    0.013   0.646     2.025   79.286   79.630
LGA    R    51_A      R    51_A     1.522     0    0.025   1.447    10.661   75.000   44.329
LGA    R    52_A      R    52_A     1.811     0    0.021   1.227     6.728   70.833   55.974
LGA    Y    53_A      Y    53_A     1.890     0    0.050   1.143     9.801   70.833   41.468
LGA    E    54_A      E    54_A     2.011     0    0.038   0.923     5.969   70.833   49.841
LGA    E    55_A      E    55_A     1.519     0    0.010   0.091     1.675   77.143   81.534
LGA    E    56_A      E    56_A     1.342     0    0.022   0.789     3.277   79.286   71.429
LGA    L    57_A      L    57_A     2.070     0    0.035   0.187     3.260   68.810   63.036
LGA    E    58_A      E    58_A     2.140     0    0.029   1.130     5.535   68.810   53.228
LGA    G    59_A      G    59_A     1.259     0    0.067   0.067     1.562   79.286   79.286
LGA    F    60_A      F    60_A     1.323     0    0.016   0.076     1.521   81.429   80.649
LGA    Y    61_A      Y    61_A     1.899     0    0.045   0.548     5.643   75.000   51.984
LGA    R    62_A      R    62_A     1.640     0    0.011   1.380     5.541   77.143   68.701
LGA    K    63_A      K    63_A     0.606     2    0.054   0.674     2.376   95.238   70.688
LGA    E    64_A      E    64_A     0.112     0    0.107   0.262     2.045  100.000   87.989
LGA    G    65_A      G    65_A     0.606     0    0.037   0.037     1.065   90.595   90.595
LGA    K    66_A      K    66_A     0.851     3    0.082   0.105     1.192   90.595   58.360
LGA    P    67_A      P    67_A     2.505     0    0.216   0.376     3.771   62.976   59.592
LGA    Y    68_A      Y    68_A     4.323     0    0.289   1.414    12.601   38.690   17.540
LGA    K    69_A      K    69_A     6.848     2    0.124   0.666    13.313   26.310   12.011
LGA    R    70_A      R    70_A     8.007     0    0.181   0.332    19.651    5.952    2.165
LGA    K    71_A      K    71_A     6.847     0    0.067   0.741     8.328    8.810    8.571
LGA    K    72_A      K    72_A    10.477     0    0.401   1.106    17.866    0.714    0.317
LGA    G    73_A      G    73_A     6.373     0    0.016   0.016     7.058   14.405   14.405
LGA    F    74_A      F    74_A     5.374     0    0.072   0.124     7.981   16.667   20.260
LGA    M    75_A      M    75_A    12.323     0    0.085   0.828    15.356    0.119    0.060
LGA    K    76_A      K    76_A    13.936     0    0.014   0.213    16.643    0.000    0.000
LGA    L    77_A      L    77_A    10.278     0    0.039   1.404    11.531    0.000    1.607
LGA    F    78_A      F    78_A    10.969     0    0.175   0.849    14.092    0.000    3.030
LGA    D    79_A      D    79_A    17.791     0    0.066   0.106    20.869    0.000    0.000
LGA    L    80_A      L    80_A    17.381     0    0.041   0.977    17.787    0.000    0.000
LGA    F    81_A      F    81_A    15.774     0    0.044   0.101    19.014    0.000    0.476

# 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):     6.005          6.072                  6.654           43.727   39.243

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     46    2.23    56.962    55.214     1.975

LGA_LOCAL      RMSD:   2.229  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.693  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   6.005  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.254846 * X  +   0.016468 * Y  +  -0.966841 * Z  + -18.764839
  Y_new =   0.584024 * X  +   0.794273 * Y  +   0.167469 * Z  + -13.691928
  Z_new =   0.770694 * X  +  -0.607338 * Y  +   0.192800 * Z  +  35.037682 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.159342 -0.879929 -1.263408   [DEG:   66.4254  -50.4162  -72.3879 ]
ZXZ: -1.742307  1.376782  2.238202   [DEG:  -99.8268   78.8838  128.2395 ]
 
# END of job
