
#######################################################
#                                                     #
#                        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   80 (  677),  selected   80 , name one
# Molecule2: number of CA atoms  108 (  908),  selected   80 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65      18_C - 82_C        4.86    17.82
  LCS_AVERAGE:     53.59

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      18_C - 63_C        1.98    18.33
  LCS_AVERAGE:     32.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      18_C - 55_C        0.83    18.48
  LCS_AVERAGE:     24.55

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   80
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     V    18_C     V    18_C     38   46   65     12   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    19_C     E    19_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     W    20_C     W    20_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     V    21_C     V    21_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     K    22_C     K    22_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    23_C     E    23_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    24_C     L    24_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    25_C     L    25_C     38   46   65     14   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    26_C     E    26_C     38   46   65     12   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    27_C     E    27_C     38   46   65     13   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     S    28_C     S    28_C     38   46   65     18   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     V    29_C     V    29_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    30_C     E    30_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     K    31_C     K    31_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     N    32_C     N    32_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     S    33_C     S    33_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     R    34_C     R    34_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     M    35_C     M    35_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     R    36_C     R    36_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     H    37_C     H    37_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     I    38_C     I    38_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     R    39_C     R    39_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     A    40_C     A    40_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     V    41_C     V    41_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     M    42_C     M    42_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     W    43_C     W    43_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     A    44_C     A    44_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    45_C     E    45_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     Y    46_C     Y    46_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     M    47_C     M    47_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    48_C     L    48_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    49_C     E    49_C     38   46   65     16   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     I    50_C     I    50_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     A    51_C     A    51_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     R    52_C     R    52_C     38   46   65     20   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     S    53_C     S    53_C     38   46   65     12   36   36   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    54_C     L    54_C     38   46   65      4    8   33   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    55_C     E    55_C     38   46   65      4    6   20   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     D    56_C     D    56_C     16   46   65     10   15   15   18   36   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    57_C     E    57_C     16   46   65      3   15   15   17   20   36   43   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     K    58_C     K    58_C     16   46   65     13   15   15   17   36   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     I    59_C     I    59_C     16   46   65     13   15   15   17   33   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    60_C     L    60_C     16   46   65     13   15   15   17   25   36   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    61_C     E    61_C     16   46   65     13   15   15   17   25   36   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     I    62_C     I    62_C     16   46   65     13   15   15   21   34   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     A    63_C     A    63_C     16   46   65     13   15   15   17   29   36   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    64_C     E    64_C     16   27   65     13   15   15   17   25   36   44   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     K    65_C     K    65_C     16   27   65     13   15   15   17   29   40   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    66_C     L    66_C     16   27   65     13   15   15   17   29   39   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    67_C     E    67_C     16   27   65     13   15   15   17   25   36   44   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     K    68_C     K    68_C     16   27   65     13   15   15   17   26   36   44   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     A    69_C     A    69_C     16   27   65     13   15   15   17   29   36   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     L    70_C     L    70_C     16   27   65     13   15   15   17   25   36   43   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     P    71_C     P    71_C     16   27   65      3    4   16   39   40   44   50   55   56   57   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    72_C     E    72_C      3   19   65      3    4    4    7   11   36   45   52   56   57   57   57   57   58   59   59   59   60   61   62 
LCS_GDT     K    73_C     K    73_C      3    7   65      3    3    4    4    6    7    9   11   15   17   20   23   29   35   41   52   59   59   59   60 
LCS_GDT     S    74_C     S    74_C      3    7   65      1    3    4    4    6    7    9   11   14   17   21   23   29   35   41   46   55   59   59   60 
LCS_GDT     K    75_C     K    75_C      4    7   65      3    4    4    4    6   13   29   47   56   57   57   57   57   58   58   58   59   60   60   60 
LCS_GDT     M    76_C     M    76_C      4    7   65      9   24   31   38   40   44   50   55   56   57   57   58   58   58   59   60   60   61   61   62 
LCS_GDT     F    77_C     F    77_C      4   21   65      3    4   15   27   35   40   48   54   56   56   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     T    78_C     T    78_C     20   21   65     16   20   20   20   20   20   22   42   53   55   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     K    79_C     K    79_C     20   21   65     16   20   20   20   20   20   23   42   53   55   57   58   58   59   59   60   60   61   61   62 
LCS_GDT     E    80_C     E    80_C     20   21   65     16   20   20   20   20   20   20   21   21   33   45   48   58   59   59   60   60   61   61   62 
LCS_GDT     E    81_C     E    81_C     20   21   65     16   20   20   20   20   20   20   21   21   26   33   47   55   59   59   60   60   61   61   62 
LCS_GDT     Y    82_C     Y    82_C     20   21   65     16   20   20   20   20   20   20   21   21   21   22   23   28   41   50   59   60   61   61   62 
LCS_GDT     E    83_C     E    83_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   29   33   46   51   58   61   61   62 
LCS_GDT     K    84_C     K    84_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   31   35   38   47   50 
LCS_GDT     L    85_C     L    85_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     M    86_C     M    86_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     E    87_C     E    87_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     V    88_C     V    88_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     L    89_C     L    89_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     E    90_C     E    90_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     E    91_C     E    91_C     20   21   27     14   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     L    92_C     L    92_C     20   21   27     12   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     E    93_C     E    93_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     E    94_C     E    94_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_GDT     V    95_C     V    95_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   22   25   25   26   27   29   30   32   34 
LCS_GDT     L    96_C     L    96_C     20   21   27     16   20   20   20   20   20   20   21   21   21   22   22   25   25   26   27   28   28   29   34 
LCS_GDT     E    97_C     E    97_C     20   21   27     12   20   20   20   20   20   20   21   21   21   22   23   25   25   26   27   29   30   32   34 
LCS_AVERAGE  LCS_A:  36.93  (  24.55   32.64   53.59 )

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     20     36     36     39     40     44     50     55     56     57     57     58     58     59     59     60     60     61     61     62 
GDT PERCENT_AT  18.52  33.33  33.33  36.11  37.04  40.74  46.30  50.93  51.85  52.78  52.78  53.70  53.70  54.63  54.63  55.56  55.56  56.48  56.48  57.41
GDT RMS_LOCAL    0.33   0.56   0.56   0.93   1.01   1.58   2.15   2.44   2.54   2.70   2.62   2.88   2.88   3.48   3.00   3.53   3.53   3.91   3.66   4.36
GDT RMS_ALL_AT  18.33  18.40  18.40  18.44  18.53  18.49  18.36  18.28  18.37  18.49  18.29  17.93  17.93  17.54  18.01  17.59  17.59  17.44  17.67  17.24

# Checking swapping
#   possible swapping detected:  E    19_C      E    19_C
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    61_C      E    61_C
#   possible swapping detected:  E    72_C      E    72_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    83_C      E    83_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E    94_C      E    94_C
#   possible swapping detected:  E    97_C      E    97_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V    18_C      V    18_C     1.759     0    0.044   0.184     2.381   72.857   69.388
LGA    E    19_C      E    19_C     2.279     0    0.076   0.978     5.920   64.762   46.825
LGA    W    20_C      W    20_C     1.651     0    0.034   1.259     7.881   77.143   43.673
LGA    V    21_C      V    21_C     1.205     0    0.014   0.088     1.490   81.429   82.721
LGA    K    22_C      K    22_C     2.093     0    0.027   0.748     5.400   66.786   57.513
LGA    E    23_C      E    23_C     2.258     0    0.030   0.970     5.219   64.762   49.365
LGA    L    24_C      L    24_C     1.661     0    0.026   0.106     1.721   72.857   76.071
LGA    L    25_C      L    25_C     1.848     0    0.035   1.372     4.909   72.857   64.702
LGA    E    26_C      E    26_C     2.187     0    0.042   0.257     2.926   64.762   61.376
LGA    E    27_C      E    27_C     2.045     0    0.030   0.162     2.278   68.810   68.360
LGA    S    28_C      S    28_C     1.558     0    0.022   0.129     1.676   75.000   75.714
LGA    V    29_C      V    29_C     1.840     0    0.175   1.294     4.454   66.905   63.197
LGA    E    30_C      E    30_C     1.964     0    0.009   0.198     2.596   72.857   67.513
LGA    K    31_C      K    31_C     1.698     0    0.024   0.595     3.503   72.857   67.778
LGA    N    32_C      N    32_C     1.915     0    0.134   0.956     3.002   66.905   63.036
LGA    S    33_C      S    33_C     1.630     0    0.073   0.554     3.085   72.857   69.048
LGA    R    34_C      R    34_C     1.266     0    0.066   1.269     7.983   81.429   59.091
LGA    M    35_C      M    35_C     1.360     0    0.027   0.929     4.449   81.429   75.893
LGA    R    36_C      R    36_C     1.710     0    0.020   0.190     2.872   72.857   66.364
LGA    H    37_C      H    37_C     1.505     0    0.024   0.884     3.635   75.000   70.190
LGA    I    38_C      I    38_C     1.362     0    0.027   0.096     1.461   81.429   81.429
LGA    R    39_C      R    39_C     1.742     0    0.022   0.961     5.037   72.857   64.416
LGA    A    40_C      A    40_C     1.561     0    0.023   0.026     1.604   77.143   78.000
LGA    V    41_C      V    41_C     1.415     0    0.067   0.830     3.249   79.286   75.714
LGA    M    42_C      M    42_C     1.824     0    0.016   1.146     5.602   72.857   63.571
LGA    W    43_C      W    43_C     1.707     0    0.018   0.337     3.534   72.857   65.238
LGA    A    44_C      A    44_C     1.399     0    0.049   0.048     1.536   77.143   78.000
LGA    E    45_C      E    45_C     1.783     0    0.024   0.094     1.970   72.857   72.857
LGA    Y    46_C      Y    46_C     1.665     0    0.036   1.103     8.478   77.143   49.603
LGA    M    47_C      M    47_C     1.279     0    0.010   1.301     5.162   81.429   67.202
LGA    L    48_C      L    48_C     1.333     0    0.033   1.172     4.570   81.429   67.321
LGA    E    49_C      E    49_C     1.683     0    0.009   0.990     6.497   72.857   55.661
LGA    I    50_C      I    50_C     1.279     0    0.029   0.115     1.432   81.429   81.429
LGA    A    51_C      A    51_C     1.392     0    0.021   0.027     1.442   81.429   81.429
LGA    R    52_C      R    52_C     1.414     0    0.131   1.582     8.873   81.429   49.957
LGA    S    53_C      S    53_C     1.087     0    0.071   0.692     3.813   81.429   75.079
LGA    L    54_C      L    54_C     1.539     0    0.201   1.339     3.346   72.976   72.262
LGA    E    55_C      E    55_C     1.924     0    0.240   0.683     4.985   72.976   56.772
LGA    D    56_C      D    56_C     2.889     0    0.263   0.693     4.611   55.476   49.583
LGA    E    57_C      E    57_C     3.840     0    0.077   0.932     4.798   46.667   47.566
LGA    K    58_C      K    58_C     2.812     0    0.058   0.815     4.258   55.357   51.799
LGA    I    59_C      I    59_C     3.186     0    0.028   0.650     3.630   50.000   50.060
LGA    L    60_C      L    60_C     3.718     0    0.070   1.105     4.609   41.786   39.524
LGA    E    61_C      E    61_C     3.727     0    0.051   0.803     4.166   45.000   44.868
LGA    I    62_C      I    62_C     3.124     0    0.067   0.241     3.374   50.000   53.631
LGA    A    63_C      A    63_C     3.872     0    0.025   0.030     4.228   40.238   39.619
LGA    E    64_C      E    64_C     4.160     0    0.033   0.299     5.115   38.690   35.344
LGA    K    65_C      K    65_C     3.548     0    0.032   0.111     3.765   43.333   51.905
LGA    L    66_C      L    66_C     3.745     0    0.019   1.377     4.807   41.786   42.738
LGA    E    67_C      E    67_C     4.214     0    0.108   0.552     4.429   38.690   39.894
LGA    K    68_C      K    68_C     4.289     0    0.066   1.236     6.081   37.143   35.132
LGA    A    69_C      A    69_C     3.830     0    0.046   0.065     4.067   40.238   40.857
LGA    L    70_C      L    70_C     4.427     0    0.623   0.578     6.041   32.143   28.631
LGA    P    71_C      P    71_C     1.416     0    0.573   0.514     4.133   64.048   64.626
LGA    E    72_C      E    72_C     5.967     0    0.128   1.257     7.785   20.476   18.360
LGA    K    73_C      K    73_C    12.047     0    0.290   0.601    20.121    0.000    0.000
LGA    S    74_C      S    74_C    13.517     0    0.640   0.738    17.689    0.000    0.000
LGA    K    75_C      K    75_C     8.045     0    0.469   0.746    14.183   15.714    7.196
LGA    M    76_C      M    76_C     3.327     0    0.056   0.987    12.101   63.333   35.238
LGA    F    77_C      F    77_C     5.277     0    0.573   1.347     9.984   24.167   11.775
LGA    T    78_C      T    78_C     8.408     0    0.626   1.408    10.461    4.881    4.694
LGA    K    79_C      K    79_C     9.724     0    0.048   0.937    12.921    0.833    0.899
LGA    E    80_C      E    80_C    13.281     0    0.045   0.619    16.392    0.000    0.000
LGA    E    81_C      E    81_C    14.067     0    0.031   0.927    17.231    0.000    0.000
LGA    Y    82_C      Y    82_C    16.252     0    0.023   0.260    25.553    0.000    0.000
LGA    E    83_C      E    83_C    19.270     0    0.011   1.041    23.490    0.000    0.000
LGA    K    84_C      K    84_C    22.895     0    0.020   0.888    28.837    0.000    0.000
LGA    L    85_C      L    85_C    23.958     0    0.056   0.476    28.187    0.000    0.000
LGA    M    86_C      M    86_C    27.353     0    0.053   0.792    31.720    0.000    0.000
LGA    E    87_C      E    87_C    30.967     0    0.030   1.017    35.208    0.000    0.000
LGA    V    88_C      V    88_C    33.492     0    0.058   1.101    36.963    0.000    0.000
LGA    L    89_C      L    89_C    35.263     0    0.076   0.300    39.874    0.000    0.000
LGA    E    90_C      E    90_C    39.528     0    0.016   1.349    43.880    0.000    0.000
LGA    E    91_C      E    91_C    42.609     0    0.024   0.843    46.424    0.000    0.000
LGA    L    92_C      L    92_C    43.877     0    0.237   1.336    47.294    0.000    0.000
LGA    E    93_C      E    93_C    47.296     0    0.088   0.868    51.901    0.000    0.000
LGA    E    94_C      E    94_C    51.392     0    0.201   1.089    55.209    0.000    0.000
LGA    V    95_C      V    95_C    53.570     0    0.186   0.856    56.706    0.000    0.000
LGA    L    96_C      L    96_C    55.227     0    0.043   0.232    59.497    0.000    0.000
LGA    E    97_C      E    97_C    59.137     0    0.600   1.077    62.360    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       80     320    320  100.00     677    677  100.00               108
SUMMARY(RMSD_GDC):    14.784         14.920                 15.198           34.130   30.812

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   80  108    4.0     55    2.44    43.981    41.586     2.163

LGA_LOCAL      RMSD:   2.443  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.278  Number of assigned atoms:   80 
Std_ASGN_ATOMS RMSD:  14.784  Standard rmsd on all 80 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.833907 * X  +   0.023246 * Y  +  -0.551415 * Z  +  -5.367106
  Y_new =   0.513729 * X  +  -0.397821 * Y  +   0.760145 * Z  +  39.572758
  Z_new =  -0.201694 * X  +  -0.917168 * Y  +  -0.343688 * Z  + -12.406813 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.552138  0.203087 -1.929328   [DEG:   31.6352   11.6360 -110.5423 ]
ZXZ: -2.514018  1.921638 -2.925129   [DEG: -144.0426  110.1017 -167.5975 ]
 
# END of job
