
#######################################################
#                                                     #
#                        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  100 (  812),  selected   78 , name one
# Molecule2: number of CA atoms   78 (  613),  selected   78 , 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      21_A - 98_A        4.87     4.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      25_A - 98_A        1.63     5.27
  LCS_AVERAGE:     90.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      26_A - 56_A        1.00     5.42
  LONGEST_CONTINUOUS_SEGMENT:    31      30_A - 60_A        1.00     5.47
  LCS_AVERAGE:     30.85

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   78
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     F    21_A     F    21_A      4    6   78      3    3    4    7    8    8    8    8    9   11   11   12   15   16   18   25   28   31   34   35 
LCS_GDT     Q    22_A     Q    22_A      4    6   78      3    3    4    7    8    8    8    8    9   11   11   12   15   19   22   25   28   31   34   60 
LCS_GDT     G    23_A     G    23_A      4    6   78      3    3    4    7    8    8    8    8    9   11   11   12   17   25   37   40   42   45   68   73 
LCS_GDT     Q    24_A     Q    24_A      4    6   78      3    3    4    7    8    8    8   18   23   38   54   68   72   74   75   75   75   75   75   75 
LCS_GDT     Q    25_A     Q    25_A      3   74   78      3    3    3   12   22   41   66   71   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    26_A     D    26_A     31   74   78      5   29   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     K    27_A     K    27_A     31   74   78     10   26   47   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    28_A     L    28_A     31   74   78      6   25   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    29_A     V    29_A     31   74   78     12   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    30_A     L    30_A     31   74   78     12   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    31_A     R    31_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    32_A     V    32_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    33_A     D    33_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    34_A     G    34_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     I    35_A     I    35_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    36_A     L    36_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     N    37_A     N    37_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    38_A     E    38_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    39_A     L    39_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    40_A     D    40_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     A    41_A     A    41_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     Q    42_A     Q    42_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    43_A     V    43_A     31   74   78     16   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    44_A     L    44_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    45_A     E    45_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    46_A     G    46_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     I    47_A     I    47_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    48_A     L    48_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     T    49_A     T    49_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    50_A     R    50_A     31   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    51_A     L    51_A     31   74   78      8   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     N    52_A     N    52_A     31   74   78      4   29   53   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    53_A     G    53_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    54_A     V    54_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    55_A     R    55_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     Q    56_A     Q    56_A     31   74   78     12   30   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     F    57_A     F    57_A     31   74   78      5   26   40   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    58_A     R    58_A     31   74   78     12   29   46   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    59_A     L    59_A     31   74   78     11   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    60_A     D    60_A     31   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    61_A     R    61_A     15   74   78      4   20   49   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     I    62_A     I    62_A     13   74   78      4   13   36   67   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     S    63_A     S    63_A     13   74   78      4    9   40   64   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    64_A     G    64_A     19   74   78      4   20   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    65_A     E    65_A     22   74   78      8   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    66_A     L    66_A     22   74   78     12   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    67_A     E    67_A     22   74   78     12   31   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    68_A     V    68_A     22   74   78     12   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    69_A     V    69_A     22   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     F    70_A     F    70_A     22   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    71_A     D    71_A     22   74   78     10   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     P    72_A     P    72_A     22   74   78     10   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    73_A     E    73_A     22   74   78     10   27   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    74_A     V    74_A     22   74   78     10   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    75_A     V    75_A     22   74   78     10   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     S    76_A     S    76_A     22   74   78     10   23   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     S    77_A     S    77_A     22   74   78     10   21   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    78_A     R    78_A     22   74   78     10   21   55   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     S    79_A     S    79_A     22   74   78     10   21   53   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    80_A     L    80_A     22   74   78     10   21   53   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    81_A     V    81_A     22   74   78     10   21   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    82_A     D    82_A     22   74   78     10   21   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    83_A     G    83_A     22   74   78     10   18   45   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     I    84_A     I    84_A     22   74   78     10   16   52   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    85_A     E    85_A     22   74   78     10   21   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     E    86_A     E    86_A     22   74   78     10   21   54   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     D    87_A     D    87_A     22   74   78      8   16   27   66   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    88_A     G    88_A     19   74   78      7   19   33   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     F    89_A     F    89_A     19   74   78      7   20   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     G    90_A     G    90_A     19   74   78      7   27   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     K    91_A     K    91_A     19   74   78      3   23   51   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     F    92_A     F    92_A     19   74   78      9   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     K    93_A     K    93_A     19   74   78     16   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     L    94_A     L    94_A     19   74   78     11   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     R    95_A     R    95_A     19   74   78     13   32   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     V    96_A     V    96_A     19   74   78      4   29   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     M    97_A     M    97_A     19   74   78      9   29   56   68   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_GDT     S    98_A     S    98_A     17   74   78      0    3    6   37   72   73   73   73   73   74   74   74   74   74   75   75   75   75   75   75 
LCS_AVERAGE  LCS_A:  73.75  (  30.85   90.40  100.00 )

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     32     56     68     72     73     73     73     73     74     74     74     74     74     75     75     75     75     75     75 
GDT PERCENT_AT  20.51  41.03  71.79  87.18  92.31  93.59  93.59  93.59  93.59  94.87  94.87  94.87  94.87  94.87  96.15  96.15  96.15  96.15  96.15  96.15
GDT RMS_LOCAL    0.28   0.71   1.09   1.28   1.39   1.41   1.41   1.41   1.41   1.63   1.63   1.63   1.63   1.63   2.17   2.17   2.17   2.17   2.17   2.17
GDT RMS_ALL_AT   5.71   5.32   5.29   5.29   5.33   5.34   5.34   5.34   5.34   5.27   5.27   5.27   5.27   5.27   5.16   5.16   5.16   5.16   5.16   5.16

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  F    89_A      F    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    29.831     0    0.484   0.832    30.698    0.000    0.000
LGA    Q    22_A      Q    22_A    24.257     4    0.299   0.389    25.836    0.000    0.000
LGA    G    23_A      G    23_A    19.376     0    0.040   0.040    21.027    0.000    0.000
LGA    Q    24_A      Q    24_A    13.175     0    0.237   0.971    15.493    0.000    0.000
LGA    Q    25_A      Q    25_A     7.236     0    0.098   0.652    13.107   25.000   11.799
LGA    D    26_A      D    26_A     1.174     0    0.645   1.148     4.763   73.571   60.357
LGA    K    27_A      K    27_A     1.852     0    0.204   0.892     4.321   65.119   59.365
LGA    L    28_A      L    28_A     1.486     0    0.133   1.310     5.485   83.690   68.571
LGA    V    29_A      V    29_A     1.196     0    0.088   1.012     4.105   85.952   77.755
LGA    L    30_A      L    30_A     0.919     0    0.050   0.658     2.131   85.952   80.655
LGA    R    31_A      R    31_A     1.112     0    0.068   0.922     2.886   81.429   70.952
LGA    V    32_A      V    32_A     0.873     0    0.095   0.092     1.071   88.214   89.184
LGA    D    33_A      D    33_A     0.942     0    0.634   0.660     2.736   82.143   74.583
LGA    G    34_A      G    34_A     1.167     0    0.163   0.163     1.725   81.548   81.548
LGA    I    35_A      I    35_A     1.166     0    0.046   0.121     1.257   81.429   81.429
LGA    L    36_A      L    36_A     0.876     0    0.125   0.964     3.290   83.810   78.869
LGA    N    37_A      N    37_A     1.556     0    0.072   0.123     1.594   75.000   77.143
LGA    E    38_A      E    38_A     1.503     0    0.074   0.372     1.713   75.000   77.619
LGA    L    39_A      L    39_A     1.415     0    0.038   1.064     4.801   81.429   69.107
LGA    D    40_A      D    40_A     1.123     0    0.040   0.245     1.341   81.429   81.429
LGA    A    41_A      A    41_A     1.226     0    0.034   0.050     1.358   81.429   81.429
LGA    Q    42_A      Q    42_A     1.362     0    0.033   0.500     2.755   81.429   77.778
LGA    V    43_A      V    43_A     1.164     0    0.040   0.119     1.281   83.690   82.721
LGA    L    44_A      L    44_A     1.004     0    0.035   0.167     1.314   81.429   82.560
LGA    E    45_A      E    45_A     1.329     0    0.058   0.478     2.417   81.429   75.767
LGA    G    46_A      G    46_A     1.180     0    0.037   0.037     1.217   81.429   81.429
LGA    I    47_A      I    47_A     0.736     0    0.026   1.054     3.035   90.476   80.119
LGA    L    48_A      L    48_A     1.280     0    0.027   0.137     2.195   81.429   75.119
LGA    T    49_A      T    49_A     1.463     0    0.053   1.146     2.732   79.286   72.041
LGA    R    50_A      R    50_A     1.143     0    0.171   1.328     4.425   79.286   69.221
LGA    L    51_A      L    51_A     1.536     0    0.057   1.152     5.534   81.548   63.452
LGA    N    52_A      N    52_A     1.757     0    0.602   1.221     4.625   60.476   59.940
LGA    G    53_A      G    53_A     0.863     0    0.077   0.077     1.279   88.214   88.214
LGA    V    54_A      V    54_A     0.716     0    0.032   1.093     2.530   95.238   84.762
LGA    R    55_A      R    55_A     0.504     0    0.055   1.221     6.476   90.476   64.502
LGA    Q    56_A      Q    56_A     1.109     0    0.045   1.149     6.134   85.952   60.582
LGA    F    57_A      F    57_A     1.992     0    0.112   1.265     5.519   66.905   55.541
LGA    R    58_A      R    58_A     1.939     0    0.018   1.162     8.025   75.000   50.519
LGA    L    59_A      L    59_A     1.310     0    0.042   1.117     3.076   79.286   75.357
LGA    D    60_A      D    60_A     0.837     0    0.017   1.216     4.999   88.214   69.881
LGA    R    61_A      R    61_A     1.767     0    0.095   1.352    12.743   69.048   35.714
LGA    I    62_A      I    62_A     2.216     0    0.028   1.440     5.839   64.881   52.500
LGA    S    63_A      S    63_A     2.375     0    0.089   0.592     2.737   68.810   64.921
LGA    G    64_A      G    64_A     1.284     0    0.122   0.122     1.557   81.548   81.548
LGA    E    65_A      E    65_A     1.261     0    0.095   0.186     3.611   85.952   69.418
LGA    L    66_A      L    66_A     1.240     0    0.057   0.883     2.905   81.429   76.250
LGA    E    67_A      E    67_A     1.210     0    0.021   0.463     2.723   81.429   75.873
LGA    V    68_A      V    68_A     0.672     0    0.029   0.052     0.809   90.476   91.837
LGA    V    69_A      V    69_A     0.555     0    0.022   0.097     1.069   95.238   91.905
LGA    F    70_A      F    70_A     0.533     0    0.045   0.126     1.248   92.857   89.697
LGA    D    71_A      D    71_A     1.200     0    0.056   1.052     2.728   83.690   80.714
LGA    P    72_A      P    72_A     1.306     0    0.067   0.090     1.451   81.429   82.721
LGA    E    73_A      E    73_A     1.514     0    0.190   1.215     5.512   72.976   63.069
LGA    V    74_A      V    74_A     1.030     0    0.052   0.066     1.124   83.690   86.599
LGA    V    75_A      V    75_A     0.623     0    0.106   0.130     0.804   90.476   94.558
LGA    S    76_A      S    76_A     1.176     0    0.050   0.077     1.176   83.690   84.444
LGA    S    77_A      S    77_A     1.345     0    0.036   0.107     1.936   81.429   78.571
LGA    R    78_A      R    78_A     1.614     0    0.090   1.334     3.991   75.000   70.996
LGA    S    79_A      S    79_A     1.694     0    0.052   0.050     2.058   72.857   70.159
LGA    L    80_A      L    80_A     1.745     0    0.045   0.107     2.527   72.857   68.869
LGA    V    81_A      V    81_A     1.275     0    0.027   0.961     3.710   81.429   74.762
LGA    D    82_A      D    82_A     1.506     0    0.043   0.930     5.473   75.000   58.452
LGA    G    83_A      G    83_A     2.092     0    0.036   0.036     2.100   68.810   68.810
LGA    I    84_A      I    84_A     1.842     0    0.026   0.102     2.062   72.857   69.821
LGA    E    85_A      E    85_A     1.019     0    0.031   0.662     2.940   81.429   71.640
LGA    E    86_A      E    86_A     1.759     0    0.046   0.416     3.822   72.976   64.339
LGA    D    87_A      D    87_A     2.889     0    0.072   1.215     7.803   57.262   40.298
LGA    G    88_A      G    88_A     2.394     0    0.133   0.133     2.394   66.786   66.786
LGA    F    89_A      F    89_A     1.079     0    0.070   0.101     2.835   81.429   71.645
LGA    G    90_A      G    90_A     1.265     0    0.152   0.152     1.717   81.548   81.548
LGA    K    91_A      K    91_A     1.866     0    0.088   1.173     8.638   72.857   48.995
LGA    F    92_A      F    92_A     0.950     0    0.027   0.288     2.058   88.214   82.468
LGA    K    93_A      K    93_A     1.051     0    0.089   0.898     3.657   85.952   76.349
LGA    L    94_A      L    94_A     0.698     0    0.045   1.427     3.307   83.810   75.714
LGA    R    95_A      R    95_A     1.053     0    0.046   1.074     3.442   90.595   74.459
LGA    V    96_A      V    96_A     1.262     0    0.052   0.093     1.915   81.429   77.755
LGA    M    97_A      M    97_A     1.198     0    0.568   1.315     3.896   77.262   70.714
LGA    S    98_A      S    98_A     2.711     1    0.603   0.601     5.185   45.952   40.159

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       78     312    312  100.00     613    613  100.00                78
SUMMARY(RMSD_GDC):     4.874          4.834                  5.129           74.855   68.159

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     73    1.41    79.487    86.877     4.819

LGA_LOCAL      RMSD:   1.415  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.342  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   4.874  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.348155 * X  +   0.229485 * Y  +  -0.908914 * Z  +  12.013062
  Y_new =   0.638435 * X  +  -0.651920 * Y  +  -0.409147 * Z  + -21.988400
  Z_new =  -0.686432 * X  +  -0.722729 * Y  +   0.080458 * Z  + -13.277541 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.070043  0.756571 -1.459928   [DEG:  118.6047   43.3483  -83.6477 ]
ZXZ: -1.147818  1.490251 -2.381947   [DEG:  -65.7651   85.3851 -136.4755 ]
 
# END of job
