
#######################################################
#                                                     #
#                        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:    64       3_A - 66_A        4.80    22.17
  LCS_AVERAGE:     71.05

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      12_A - 58_A        2.00    22.27
  LCS_AVERAGE:     44.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      32_A - 57_A        0.89    22.53
  LCS_AVERAGE:     20.11

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     14   43   64      4   18   25   34   37   43   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L     4_A     L     4_A     14   43   64      6   13   25   31   36   42   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L     5_A     L     5_A     14   43   64      6   18   25   34   37   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     C     6_A     C     6_A     14   43   64      5   18   26   34   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     P     7_A     P     7_A     14   43   64      6   18   26   34   38   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     N     8_A     N     8_A     14   43   64      7   18   26   34   37   42   47   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     C     9_A     C     9_A     14   43   64      5   14   25   34   37   41   46   51   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     Q    10_A     Q    10_A     14   43   64      6   18   25   34   37   41   46   51   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     V    11_A     V    11_A     14   43   64      5   13   22   31   36   41   46   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     G    12_A     G    12_A     14   47   64      6   18   25   34   38   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     M    13_A     M    13_A     14   47   64     10   18   26   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     R    14_A     R    14_A     14   47   64     10   18   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    15_A     E    15_A     14   47   64     10   18   26   34   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     V    16_A     V    16_A     14   47   64      7   18   26   34   39   43   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    17_A     E    17_A     10   47   64      7   17   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     R    18_A     R    18_A     10   47   64      7    9   12   29   34   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     R    19_A     R    19_A     10   47   64      7    9   12   19   35   41   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     G    20_A     G    20_A     10   47   64      7    9   22   26   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     V    21_A     V    21_A     10   47   64      7   16   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L    22_A     L    22_A     22   47   64     11   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     I    23_A     I    23_A     22   47   64     10   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     D    24_A     D    24_A     22   47   64     11   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     V    25_A     V    25_A     22   47   64     10   20   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     C    26_A     C    26_A     22   47   64     10   18   30   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     P    27_A     P    27_A     22   47   64     10   18   30   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     Q    28_A     Q    28_A     22   47   64     10   18   26   34   38   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     C    29_A     C    29_A     22   47   64     10   18   26   34   37   43   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     G    30_A     G    30_A     22   47   64      5   18   26   34   37   43   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     G    31_A     G    31_A     23   47   64      9   18   26   35   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     V    32_A     V    32_A     26   47   64     10   18   30   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     W    33_A     W    33_A     26   47   64      9   20   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L    34_A     L    34_A     26   47   64     11   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     D    35_A     D    35_A     26   47   64      6   20   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     K    36_A     K    36_A     26   47   64     11   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     G    37_A     G    37_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    38_A     E    38_A     26   47   64     12   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L    39_A     L    39_A     26   47   64     12   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    40_A     E    40_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     K    41_A     K    41_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L    42_A     L    42_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L    43_A     L    43_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     A    44_A     A    44_A     26   47   64     15   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    45_A     E    45_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     A    46_A     A    46_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    47_A     E    47_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    48_A     E    48_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     V    49_A     V    49_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    50_A     E    50_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     R    51_A     R    51_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     R    52_A     R    52_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     Y    53_A     Y    53_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    54_A     E    54_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    55_A     E    55_A     26   47   64     16   24   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    56_A     E    56_A     26   47   64      6   19   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     L    57_A     L    57_A     26   47   64      5   19   32   36   39   44   51   53   55   55   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     E    58_A     E    58_A     23   47   64      1    3    3    3    9   26   34   44   47   52   56   58   58   59   60   60   61   62   63   63 
LCS_GDT     G    59_A     G    59_A      3   40   64      0    3    3    4   18   31   38   43   49   54   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     F    60_A     F    60_A      3    3   64      3    3    3    6   18   27   31   36   44   50   55   58   59   59   60   60   61   62   63   63 
LCS_GDT     Y    61_A     Y    61_A      3    3   64      3    4    8   14   21   29   33   41   49   54   56   58   59   59   60   60   61   62   63   63 
LCS_GDT     R    62_A     R    62_A      3    3   64      3    3    3    3    3    4    5   19   36   40   48   54   59   59   60   60   61   62   63   63 
LCS_GDT     K    63_A     K    63_A      3   10   64      3    3    6    8    9   10   12   13   14   15   16   18   19   23   36   46   58   62   63   63 
LCS_GDT     E    64_A     E    64_A      3   10   64      3    3    6    8    9   10   12   13   14   15   16   18   19   19   19   23   29   46   57   63 
LCS_GDT     G    65_A     G    65_A      5   10   64      3    4    6    8    9   10   12   13   14   15   16   18   19   19   19   37   50   60   63   63 
LCS_GDT     K    66_A     K    66_A      5   10   64      3    4    5    6    9   10   12   13   14   15   16   18   19   19   33   51   61   62   63   63 
LCS_GDT     P    67_A     P    67_A      5   10   58      3    4    5    8    9   10   12   13   14   15   16   18   19   19   19   19   40   56   60   62 
LCS_GDT     Y    68_A     Y    68_A      5   10   20      3    4    5    6    9   10   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     K    69_A     K    69_A      5   10   20      3    4    6    8    9   10   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     R    70_A     R    70_A      5   10   20      3    4    6    8    9   10   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     K    71_A     K    71_A      5   10   20      3    4    6    8    9   10   11   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     K    72_A     K    72_A      5   10   20      3    4    6    8    9   10   11   13   14   15   15   18   19   19   19   19   20   20   21   21 
LCS_GDT     G    73_A     G    73_A      3    9   20      3    3    4    6    9    9   11   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     F    74_A     F    74_A      3    7   20      3    3    4    5    9   10   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     M    75_A     M    75_A      3    6   20      0    3    3    5    9    9   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     K    76_A     K    76_A      4    4   20      3    4    4    4    5    5   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     L    77_A     L    77_A      4    4   20      3    4    4    4    5    7   12   13   14   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     F    78_A     F    78_A      4    4   20      3    4    4    4    5    5    7   10   13   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     D    79_A     D    79_A      4    4   20      3    4    4    5    6    7    8   11   13   15   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     L    80_A     L    80_A      3    3   20      0    3    3    3    5    7    7   10   13   13   16   18   19   19   19   19   20   20   21   21 
LCS_GDT     F    81_A     F    81_A      3    3   20      0    3    3    6    6    7    7    9   12   13   13   16   16   19   19   19   20   20   21   21 
LCS_AVERAGE  LCS_A:  45.28  (  20.11   44.69   71.05 )

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     24     32     36     39     44     51     53     55     55     56     58     59     59     60     60     61     62     63     63 
GDT PERCENT_AT  20.25  30.38  40.51  45.57  49.37  55.70  64.56  67.09  69.62  69.62  70.89  73.42  74.68  74.68  75.95  75.95  77.22  78.48  79.75  79.75
GDT RMS_LOCAL    0.29   0.62   0.92   1.15   1.30   1.76   2.14   2.29   2.43   2.43   2.55   3.01   3.47   3.25   3.52   3.52   3.96   4.28   4.56   4.56
GDT RMS_ALL_AT  23.36  22.70  22.49  22.35  22.40  22.21  22.21  22.15  22.10  22.10  22.08  21.99  21.99  21.98  21.99  21.99  21.98  22.03  22.09  22.09

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    78_A      F    78_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     3.372     0    0.128   1.292     6.460   45.119   39.405
LGA    L     4_A      L     4_A     3.589     0    0.094   0.239     5.217   52.024   42.560
LGA    L     5_A      L     5_A     3.223     4    0.042   0.042     3.373   55.476   27.738
LGA    C     6_A      C     6_A     1.951     0    0.022   0.057     3.157   63.095   63.651
LGA    P     7_A      P     7_A     2.451     0    0.053   0.082     3.788   55.714   65.510
LGA    N     8_A      N     8_A     4.312     0    0.093   1.080     6.000   32.619   32.798
LGA    C     9_A      C     9_A     5.212     0    0.016   0.809     5.917   26.310   31.429
LGA    Q    10_A      Q    10_A     5.033     0    0.228   0.803     5.692   30.119   30.106
LGA    V    11_A      V    11_A     4.539     0    0.077   1.155     5.230   39.048   35.850
LGA    G    12_A      G    12_A     2.735     0    0.037   0.037     3.368   63.214   63.214
LGA    M    13_A      M    13_A     1.363     0    0.047   1.291     3.790   77.143   73.512
LGA    R    14_A      R    14_A     2.289     0    0.032   1.634    11.074   66.786   38.052
LGA    E    15_A      E    15_A     2.821     0    0.053   0.576     3.465   53.571   53.968
LGA    V    16_A      V    16_A     3.275     0    0.171   0.214     3.895   55.357   51.156
LGA    E    17_A      E    17_A     1.721     0    0.677   0.830     2.789   66.905   66.720
LGA    R    18_A      R    18_A     2.926     3    0.168   1.085     3.233   57.143   43.810
LGA    R    19_A      R    19_A     3.412     5    0.029   0.426     5.981   50.000   24.069
LGA    G    20_A      G    20_A     2.610     0    0.032   0.032     2.630   60.952   60.952
LGA    V    21_A      V    21_A     1.511     0    0.092   1.107     2.967   81.667   76.871
LGA    L    22_A      L    22_A     1.426     0    0.060   0.821     4.534   77.143   63.274
LGA    I    23_A      I    23_A     2.501     0    0.164   0.982     3.487   60.952   57.321
LGA    D    24_A      D    24_A     1.757     0    0.105   0.874     3.251   72.857   70.060
LGA    V    25_A      V    25_A     1.822     0    0.089   1.160     4.438   72.857   69.116
LGA    C    26_A      C    26_A     1.458     0    0.019   0.085     2.004   75.000   72.937
LGA    P    27_A      P    27_A     1.614     0    0.035   0.062     2.272   72.976   77.891
LGA    Q    28_A      Q    28_A     2.498     0    0.113   1.132     7.203   60.952   45.926
LGA    C    29_A      C    29_A     3.590     0    0.098   0.129     3.800   45.000   46.746
LGA    G    30_A      G    30_A     3.339     0    0.023   0.023     3.339   50.000   50.000
LGA    G    31_A      G    31_A     2.362     0    0.075   0.075     2.688   62.857   62.857
LGA    V    32_A      V    32_A     2.161     0    0.031   0.084     2.682   68.810   65.986
LGA    W    33_A      W    33_A     1.424     0    0.042   1.201     5.564   75.000   66.088
LGA    L    34_A      L    34_A     1.594     0    0.053   0.804     4.060   77.143   65.833
LGA    D    35_A      D    35_A     1.406     0    0.142   1.238     4.735   77.143   66.845
LGA    K    36_A      K    36_A     2.014     0    0.651   0.890     6.224   61.429   52.222
LGA    G    37_A      G    37_A     1.502     0    0.334   0.334     1.918   77.143   77.143
LGA    E    38_A      E    38_A     1.339     0    0.032   0.965     4.217   81.429   71.958
LGA    L    39_A      L    39_A     1.313     0    0.014   0.102     1.379   81.429   81.429
LGA    E    40_A      E    40_A     1.165     0    0.017   1.096     3.846   81.429   72.646
LGA    K    41_A      K    41_A     1.347     0    0.035   1.135     2.822   81.429   76.825
LGA    L    42_A      L    42_A     1.606     0    0.023   0.112     1.807   77.143   75.000
LGA    L    43_A      L    43_A     1.152     0    0.035   0.169     1.956   85.952   84.881
LGA    A    44_A      A    44_A     0.601     0    0.028   0.028     0.809   92.857   92.381
LGA    E    45_A      E    45_A     0.709     0    0.023   1.202     3.930   90.476   72.646
LGA    A    46_A      A    46_A     1.204     0    0.055   0.054     1.470   83.690   83.238
LGA    E    47_A      E    47_A     1.146     0    0.032   0.722     1.674   85.952   83.545
LGA    E    48_A      E    48_A     0.629     0    0.032   0.895     2.990   90.476   82.169
LGA    V    49_A      V    49_A     0.527     0    0.026   0.081     0.848   90.476   91.837
LGA    E    50_A      E    50_A     1.490     0    0.024   0.929     5.481   77.143   56.508
LGA    R    51_A      R    51_A     1.757     0    0.017   1.185     7.318   72.857   48.398
LGA    R    52_A      R    52_A     1.380     0    0.056   1.082     3.349   77.143   71.082
LGA    Y    53_A      Y    53_A     1.705     0    0.026   1.377     7.887   70.952   51.230
LGA    E    54_A      E    54_A     2.423     0    0.025   0.899     3.508   60.952   60.741
LGA    E    55_A      E    55_A     2.557     0    0.050   0.930     4.861   57.262   53.704
LGA    E    56_A      E    56_A     2.945     0    0.590   1.182     6.721   48.929   43.598
LGA    L    57_A      L    57_A     2.971     0    0.632   0.680     3.392   57.262   55.417
LGA    E    58_A      E    58_A     6.386     0    0.648   1.243    13.185   15.476    7.037
LGA    G    59_A      G    59_A     9.246     0    0.602   0.602    10.856    2.143    2.143
LGA    F    60_A      F    60_A    12.533     0    0.635   1.214    16.642    0.000    0.000
LGA    Y    61_A      Y    61_A    10.866     0    0.643   0.652    15.322    0.000    0.000
LGA    R    62_A      R    62_A    14.631     0    0.634   1.303    21.613    0.000    0.000
LGA    K    63_A      K    63_A    20.014     2    0.687   0.979    23.818    0.000    0.000
LGA    E    64_A      E    64_A    21.739     0    0.574   1.067    26.407    0.000    0.000
LGA    G    65_A      G    65_A    21.231     0    0.655   0.655    21.507    0.000    0.000
LGA    K    66_A      K    66_A    19.514     3    0.049   0.644    21.692    0.000    0.000
LGA    P    67_A      P    67_A    18.652     0    0.049   0.254    21.071    0.000    0.000
LGA    Y    68_A      Y    68_A    24.698     0    0.124   0.251    36.606    0.000    0.000
LGA    K    69_A      K    69_A    26.548     2    0.096   0.598    27.868    0.000    0.000
LGA    R    70_A      R    70_A    31.244     0    0.119   1.571    34.857    0.000    0.000
LGA    K    71_A      K    71_A    34.107     0    0.503   0.954    39.730    0.000    0.000
LGA    K    72_A      K    72_A    38.475     0    0.516   0.853    42.151    0.000    0.000
LGA    G    73_A      G    73_A    43.848     0    0.614   0.614    46.393    0.000    0.000
LGA    F    74_A      F    74_A    50.231     0    0.621   1.354    53.778    0.000    0.000
LGA    M    75_A      M    75_A    52.394     0    0.663   1.353    54.655    0.000    0.000
LGA    K    76_A      K    76_A    54.690     0    0.632   1.613    56.759    0.000    0.000
LGA    L    77_A      L    77_A    60.449     0    0.052   1.129    65.634    0.000    0.000
LGA    F    78_A      F    78_A    64.669     0    0.684   0.898    70.675    0.000    0.000
LGA    D    79_A      D    79_A    62.033     0    0.721   0.617    64.157    0.000    0.000
LGA    L    80_A      L    80_A    64.042     0    0.700   1.410    67.673    0.000    0.000
LGA    F    81_A      F    81_A    69.676     0    0.649   0.983    76.960    0.000    0.000

# 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):    20.029         20.172                 21.528           46.612   42.405

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     53    2.29    54.747    54.765     2.222

LGA_LOCAL      RMSD:   2.286  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.149  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  20.029  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.245108 * X  +   0.658627 * Y  +   0.711430 * Z  +  -5.496955
  Y_new =  -0.880392 * X  +  -0.156088 * Y  +   0.447824 * Z  + -25.185993
  Z_new =   0.405995 * X  +  -0.736102 * Y  +   0.541592 * Z  +  20.830290 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.299265 -0.418067 -0.936474   [DEG:  -74.4424  -23.9535  -53.6560 ]
ZXZ:  2.132604  0.998467  2.637563   [DEG:  122.1892   57.2079  151.1212 ]
 
# END of job
