
#######################################################
#                                                     #
#                        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   84 (  681),  selected   84 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   84 , 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:    78      15_A - 92_A        4.20    11.35
  LCS_AVERAGE:     84.40

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      15_A - 54_A        1.97    11.79
  LCS_AVERAGE:     39.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      60_A - 84_A        0.96    12.04
  LCS_AVERAGE:     18.71

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   84
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     K    15_A     K    15_A     18   40   78      7   24   38   50   59   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    16_A     L    16_A     18   40   78      9   26   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    17_A     I    17_A     18   40   78      7   26   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    18_A     I    18_A     18   40   78      9   31   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    19_A     K    19_A     18   40   78      9   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     A    20_A     A    20_A     18   40   78     12   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     18   40   78     13   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    22_A     L    22_A     18   40   78     10   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     G    23_A     G    23_A     18   40   78      3   13   33   44   58   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    24_A     E    24_A     18   40   78      9   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    25_A     D    25_A     18   40   78      9   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    26_A     I    26_A     18   40   78      4   28   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    27_A     R    27_A     18   40   78      9   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    28_A     R    28_A     18   40   78      7   26   41   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    29_A     I    29_A     18   40   78      6   26   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     P    30_A     P    30_A     18   40   78      7   26   41   51   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    31_A     I    31_A     18   40   78      3   23   38   51   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     H    32_A     H    32_A     18   40   78      3   11   28   51   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     N    33_A     N    33_A      9   40   78      3   11   30   51   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    34_A     E    34_A      3   40   78      3    3    4   19   42   57   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    35_A     D    35_A      3   40   78      3    6   28   41   53   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    36_A     I    36_A      3   40   78      3    3    5   14   23   54   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     T    37_A     T    37_A     15   40   78     11   30   42   52   60   63   65   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    39_A     D    39_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    40_A     E    40_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    41_A     L    41_A     15   40   78     12   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     V    42_A     V    42_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    43_A     L    43_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     M    44_A     M    44_A     15   40   78     11   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     M    45_A     M    45_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     15   40   78     10   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    47_A     R    47_A     15   40   78      7   26   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     V    48_A     V    48_A     15   40   78      9   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     F    49_A     F    49_A     15   40   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    50_A     R    50_A     15   40   78      5   28   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     G    51_A     G    51_A     15   40   78      4    6   18   30   55   61   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    52_A     K    52_A      4   40   78      4    4    4   32   51   61   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    53_A     L    53_A      4   40   78      4    4   14   37   50   59   65   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    54_A     L    54_A      4   40   78      0    4   14   22   35   54   65   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    55_A     S    55_A      4   35   78      3    8   15   22   43   53   65   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     N    56_A     N    56_A      4   35   78      3    3    4    4    6   29   53   61   66   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    57_A     D    57_A      3   35   78      4    4    4    6   16   32   44   63   67   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    58_A     E    58_A     19   35   78      8   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     V    59_A     V    59_A     19   35   78      4   26   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     T    60_A     T    60_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    61_A     I    61_A     25   35   78     13   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    62_A     K    62_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     25   35   78      9   30   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    64_A     K    64_A     25   35   78      6   28   39   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     A    65_A     A    65_A     25   35   78      6   28   39   50   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    66_A     E    66_A     25   35   78      5   23   38   46   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    67_A     R    67_A     25   35   78      4   10   24   40   50   61   65   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     G    68_A     G    68_A     25   35   78      4   23   38   46   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    69_A     D    69_A     25   35   78      6   30   39   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    70_A     L    70_A     25   35   78      6   30   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    71_A     I    71_A     25   35   78      5   30   41   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     T    72_A     T    72_A     25   35   78      5   18   41   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    73_A     I    73_A     25   35   78      7   30   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     F    74_A     F    74_A     25   35   78      3   21   35   50   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    75_A     D    75_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     25   35   78      9   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    78_A     D    78_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    79_A     L    79_A     25   35   78     12   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    80_A     S    80_A     25   35   78      8   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     F    81_A     F    81_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     A    82_A     A    82_A     25   35   78     14   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    83_A     I    83_A     25   35   78      8   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     25   35   78      5   30   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     C    85_A     C    85_A     19   35   78      6   31   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    86_A     S    86_A     19   35   78      4   31   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    87_A     R    87_A     19   35   78     10   32   42   52   60   63   66   68   71   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    88_A     I    88_A      3   32   78      3    3    4    9   18   45   61   67   70   71   73   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    89_A     L    89_A      6    9   78      3    5    7    8    8    9    9   11   21   29   43   61   70   73   74   75   75   75   75   76 
LCS_GDT     K    90_A     K    90_A      6    9   78      3    5    7    8    8    9    9   10   12   14   17   25   33   40   51   63   70   73   74   76 
LCS_GDT     L    91_A     L    91_A      6    9   78      3    5    7    8    8    9    9   10   10   11   12   13   13   14   15   16   17   18   19   37 
LCS_GDT     T    92_A     T    92_A      6    9   78      3    5    7    8    8    9    9   10   10   11   12   12   13   14   15   16   17   18   19   20 
LCS_GDT     L    93_A     L    93_A      6    9   14      4    5    6    8    8    9    9   10   10   11   12   12   13   14   15   16   17   18   19   20 
LCS_GDT     F    94_A     F    94_A      6    9   14      4    5    7    8    8    9    9   10   10   11   12   12   13   14   15   16   17   18   19   20 
LCS_GDT     V    95_A     V    95_A      6    9   14      4    5    7    8    8    9    9   10   10   11   12   12   13   14   15   16   17   17   18   20 
LCS_GDT     N    96_A     N    96_A      6    9   14      4    5    7    8    8    9    9   10   10   11   12   12   13   14   15   16   17   17   17   19 
LCS_GDT     G    97_A     G    97_A      3    3   14      3    3    3    3    3    4    9   10   10   11   12   12   13   14   15   16   17   18   19   20 
LCS_GDT     Q    98_A     Q    98_A      3    3   14      3    3    3    3    3    4    4    4    6   10   12   12   13   14   15   16   17   18   19   20 
LCS_AVERAGE  LCS_A:  47.44  (  18.71   39.20   84.40 )

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     14     32     42     52     60     63     66     68     71     71     73     74     74     74     74     75     75     75     75     76 
GDT PERCENT_AT  16.09  36.78  48.28  59.77  68.97  72.41  75.86  78.16  81.61  81.61  83.91  85.06  85.06  85.06  85.06  86.21  86.21  86.21  86.21  87.36
GDT RMS_LOCAL    0.34   0.73   0.89   1.19   1.45   1.60   1.82   1.92   2.09   2.09   2.27   2.36   2.36   2.36   2.36   2.60   2.60   2.60   2.60   2.96
GDT RMS_ALL_AT  11.58  11.57  11.54  11.47  11.44  11.47  11.43  11.46  11.51  11.51  11.51  11.51  11.51  11.51  11.51  11.50  11.50  11.50  11.50  11.48

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     2.810     0    0.454   1.297    11.024   57.262   34.868
LGA    L    16_A      L    16_A     1.612     0    0.080   0.904     2.600   77.143   74.107
LGA    I    17_A      I    17_A     1.900     0    0.031   0.661     2.811   70.833   66.845
LGA    I    18_A      I    18_A     0.894     0    0.048   0.095     1.175   88.214   87.083
LGA    K    19_A      K    19_A     0.791     0    0.085   0.199     1.687   90.476   85.556
LGA    A    20_A      A    20_A     0.329     0    0.034   0.052     0.623   97.619   96.190
LGA    Q    21_A      Q    21_A     0.665     0    0.048   0.907     5.317   92.857   73.439
LGA    L    22_A      L    22_A     0.846     0    0.091   0.114     3.052   79.881   73.512
LGA    G    23_A      G    23_A     3.057     0    0.552   0.552     3.057   63.214   63.214
LGA    E    24_A      E    24_A     1.464     0    0.073   0.754     5.064   75.476   58.942
LGA    D    25_A      D    25_A     1.186     0    0.078   0.887     4.569   83.690   70.238
LGA    I    26_A      I    26_A     1.555     0    0.050   0.108     2.315   77.143   72.976
LGA    R    27_A      R    27_A     1.227     0    0.047   0.980     3.293   81.429   70.346
LGA    R    28_A      R    28_A     1.915     0    0.165   1.220     4.518   70.833   64.762
LGA    I    29_A      I    29_A     1.869     0    0.086   0.826     5.114   72.857   63.988
LGA    P    30_A      P    30_A     1.975     0    0.015   0.355     2.429   70.833   69.388
LGA    I    31_A      I    31_A     2.011     0    0.078   0.586     2.909   66.786   62.917
LGA    H    32_A      H    32_A     1.741     0    0.443   1.088     7.602   63.452   43.476
LGA    N    33_A      N    33_A     2.188     0    0.066   1.225     7.824   67.262   42.976
LGA    E    34_A      E    34_A     4.289     0    0.693   0.986     8.696   48.810   25.132
LGA    D    35_A      D    35_A     3.211     0    0.431   1.199     6.100   53.810   41.667
LGA    I    36_A      I    36_A     4.388     0    0.434   1.277     8.833   47.262   28.929
LGA    T    37_A      T    37_A     2.431     0    0.580   1.438     6.861   72.976   49.252
LGA    Y    38_A      Y    38_A     1.500     0    0.064   0.287     1.832   79.286   82.976
LGA    D    39_A      D    39_A     1.554     0    0.053   0.140     2.058   75.000   72.917
LGA    E    40_A      E    40_A     1.601     0    0.061   1.236     4.699   77.143   62.593
LGA    L    41_A      L    41_A     1.469     0    0.036   0.063     2.025   79.286   75.060
LGA    V    42_A      V    42_A     1.299     0    0.132   0.968     3.163   85.952   78.299
LGA    L    43_A      L    43_A     0.961     0    0.022   1.371     3.823   92.976   78.274
LGA    M    44_A      M    44_A     0.777     0    0.070   1.261     5.504   90.476   73.690
LGA    M    45_A      M    45_A     0.554     0    0.078   0.071     1.424   90.476   87.083
LGA    Q    46_A      Q    46_A     0.792     0    0.083   1.210     4.126   88.214   74.339
LGA    R    47_A      R    47_A     1.282     0    0.145   1.503     6.680   85.952   59.610
LGA    V    48_A      V    48_A     0.764     0    0.082   1.210     3.148   92.857   82.381
LGA    F    49_A      F    49_A     0.494     0    0.251   0.676     2.893   90.833   82.944
LGA    R    50_A      R    50_A     1.177     0    0.538   1.153     6.066   79.524   52.597
LGA    G    51_A      G    51_A     4.014     0    0.156   0.156     4.029   45.357   45.357
LGA    K    52_A      K    52_A     3.243     0    0.032   0.852     8.591   55.476   30.794
LGA    L    53_A      L    53_A     3.852     0    0.577   0.600     7.052   41.667   29.702
LGA    L    54_A      L    54_A     5.001     0    0.141   0.210     9.640   37.619   21.786
LGA    S    55_A      S    55_A     4.764     0    0.630   0.816     7.220   30.238   24.048
LGA    N    56_A      N    56_A     5.768     0    0.263   1.215     8.287   21.786   14.524
LGA    D    57_A      D    57_A     5.581     0    0.595   1.176    10.063   34.881   19.881
LGA    E    58_A      E    58_A     0.768     0    0.349   0.752     7.817   84.524   53.492
LGA    V    59_A      V    59_A     0.915     0    0.120   1.087     3.276   97.619   83.742
LGA    T    60_A      T    60_A     0.625     0    0.046   1.183     2.618   90.476   81.905
LGA    I    61_A      I    61_A     0.807     0    0.034   0.055     1.831   90.476   84.881
LGA    K    62_A      K    62_A     0.574     0    0.095   0.183     1.288   88.214   88.466
LGA    Y    63_A      Y    63_A     0.737     0    0.025   0.850     5.977   88.333   66.667
LGA    K    64_A      K    64_A     1.776     0    0.114   0.225     3.463   72.976   65.926
LGA    A    65_A      A    65_A     2.004     0    0.032   0.041     2.334   66.786   68.000
LGA    E    66_A      E    66_A     2.858     0    0.647   1.218     6.590   61.071   45.926
LGA    R    67_A      R    67_A     4.432     0    0.379   1.297    14.850   49.286   21.991
LGA    G    68_A      G    68_A     2.724     0    0.193   0.193     3.431   59.167   59.167
LGA    D    69_A      D    69_A     1.911     0    0.076   1.043     4.742   72.976   58.571
LGA    L    70_A      L    70_A     1.276     0    0.011   0.074     1.523   79.286   80.357
LGA    I    71_A      I    71_A     1.295     0    0.143   0.128     1.801   81.429   78.214
LGA    T    72_A      T    72_A     1.358     0    0.148   0.192     2.334   77.262   75.374
LGA    I    73_A      I    73_A     0.351     0    0.131   1.159     3.374   95.238   86.667
LGA    F    74_A      F    74_A     2.163     0    0.294   1.184     4.658   77.262   58.398
LGA    D    75_A      D    75_A     1.199     0    0.151   0.765     2.050   81.429   76.190
LGA    S    76_A      S    76_A     1.329     0    0.058   0.062     1.625   81.429   80.000
LGA    S    77_A      S    77_A     0.928     0    0.069   0.203     1.223   88.214   87.460
LGA    D    78_A      D    78_A     0.948     0    0.048   0.072     1.044   85.952   88.214
LGA    L    79_A      L    79_A     1.487     0    0.018   1.121     3.787   77.143   67.619
LGA    S    80_A      S    80_A     1.769     0    0.092   0.575     2.242   72.857   71.508
LGA    F    81_A      F    81_A     1.342     0    0.011   0.060     1.965   81.429   78.312
LGA    A    82_A      A    82_A     1.070     0    0.027   0.030     1.298   81.429   81.429
LGA    I    83_A      I    83_A     1.820     0    0.111   1.390     4.776   72.857   62.976
LGA    Q    84_A      Q    84_A     2.333     0    0.095   0.891     6.059   64.762   49.259
LGA    C    85_A      C    85_A     2.394     0    0.258   0.266     3.192   62.857   59.762
LGA    S    86_A      S    86_A     2.187     0    0.609   0.729     3.534   68.929   63.968
LGA    R    87_A      R    87_A     2.150     0    0.519   1.268    11.540   50.833   24.675
LGA    I    88_A      I    88_A     6.106     0    0.235   1.238    10.201   22.738   14.107
LGA    L    89_A      L    89_A    10.103     0    0.477   1.392    14.354    0.714    0.357
LGA    K    90_A      K    90_A    13.134     0    0.022   0.898    13.939    0.000    0.000
LGA    L    91_A      L    91_A    17.776     0    0.156   1.389    20.675    0.000    0.000
LGA    T    92_A      T    92_A    20.814     0    0.024   1.129    22.943    0.000    0.000
LGA    L    93_A      L    93_A    27.294     0    0.038   0.993    31.163    0.000    0.000
LGA    F    94_A      F    94_A    32.193     0    0.117   1.300    35.928    0.000    0.000
LGA    V    95_A      V    95_A    39.444     0    0.052   0.057    43.404    0.000    0.000
LGA    N    96_A      N    96_A    44.634     0    0.372   1.139    48.459    0.000    0.000
LGA    G    97_A      G    97_A    45.614     0    0.649   0.649    45.614    0.000    0.000
LGA    Q    98_A      Q    98_A    46.767     0    0.531   1.338    51.263    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       84     336    336  100.00     681    681  100.00                87
SUMMARY(RMSD_GDC):    10.780         10.830                 10.873           61.736   53.244

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   84   87    4.0     68    1.92    65.230    62.231     3.373

LGA_LOCAL      RMSD:   1.916  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.462  Number of assigned atoms:   84 
Std_ASGN_ATOMS RMSD:  10.780  Standard rmsd on all 84 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.723396 * X  +  -0.068648 * Y  +   0.687013 * Z  + -12.950772
  Y_new =  -0.024383 * X  +   0.991884 * Y  +   0.124785 * Z  +  13.948041
  Z_new =  -0.690003 * X  +  -0.107020 * Y  +   0.715851 * Z  +   2.793327 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.033693  0.761494 -0.148401   [DEG:   -1.9305   43.6304   -8.5028 ]
ZXZ:  1.750471  0.772955 -1.724671   [DEG:  100.2946   44.2870  -98.8164 ]
 
# END of job
