
#######################################################
#                                                     #
#                        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   95 (  841),  selected   76 , name one
# Molecule2: number of CA atoms   76 (  680),  selected   76 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      12_B - 58_B        4.89    15.70
  LCS_AVERAGE:     53.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      32_B - 58_B        1.87    14.06
  LCS_AVERAGE:     31.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      36_B - 58_B        0.98    14.10
  LCS_AVERAGE:     24.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   76
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     S     9_B     S     9_B     14   24   45      5   11   14   17   20   23   26   28   30   33   35   36   38   39   41   42   46   47   48   48 
LCS_GDT     P    10_B     P    10_B     14   24   45      5   10   13   17   20   23   26   28   29   31   33   36   38   39   40   42   43   44   48   48 
LCS_GDT     K    11_B     K    11_B     15   24   46      6   11   17   20   22   23   26   28   30   31   35   36   38   39   41   44   46   47   48   48 
LCS_GDT     E    12_B     E    12_B     17   24   47      6   13   17   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    13_B     E    13_B     17   24   47      6   13   17   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    14_B     K    14_B     18   24   47      6   13   17   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     F    15_B     F    15_B     18   24   47      6   15   18   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    16_B     K    16_B     18   24   47      6   14   18   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    17_B     K    17_B     18   24   47      6   15   18   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    18_B     K    18_B     18   24   47      5   15   18   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     L    19_B     L    19_B     18   24   47     10   15   18   20   22   23   26   28   30   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    20_B     E    20_B     18   24   47     10   15   18   20   22   23   26   28   30   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    21_B     E    21_B     18   24   47     10   15   18   20   22   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    22_B     E    22_B     18   24   47     10   15   18   20   22   24   26   28   30   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     L    23_B     L    23_B     18   24   47     10   15   18   20   22   23   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    24_B     K    24_B     18   24   47     10   15   18   20   22   23   26   28   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    25_B     K    25_B     18   24   47     10   15   18   20   22   23   26   28   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     I    26_B     I    26_B     18   24   47     10   15   18   20   22   23   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     R    27_B     R    27_B     18   24   47     10   15   18   20   22   23   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    28_B     E    28_B     18   24   47     10   15   18   20   22   23   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     R    29_B     R    29_B     18   24   47      5   15   18   20   22   25   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     L    30_B     L    30_B     18   24   47     10   15   18   23   24   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     L    31_B     L    31_B     18   24   47      4   14   18   20   22   23   26   28   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     M    32_B     M    32_B     18   27   47      5   14   18   22   24   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     V    33_B     V    33_B     16   27   47      3    4   17   21   24   26   28   29   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     F    34_B     F    34_B      6   27   47      3    3    9   15   20   23   26   28   30   34   36   38   40   42   44   45   46   47   48   48 
LCS_GDT     D    35_B     D    35_B      3   27   47      3   15   19   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    36_B     E    36_B     23   27   47      5   12   20   23   24   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    37_B     E    37_B     23   27   47     14   20   21   23   25   26   28   30   32   33   37   38   40   41   43   44   45   47   47   48 
LCS_GDT     R    38_B     R    38_B     23   27   47     11   20   21   23   25   26   28   30   32   33   37   38   40   42   43   45   46   47   48   48 
LCS_GDT     V    39_B     V    39_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    40_B     E    40_B     23   27   47     14   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    41_B     E    41_B     23   27   47     14   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     Y    42_B     Y    42_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     M    43_B     M    43_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    44_B     K    44_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     I    45_B     I    45_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     M    46_B     M    46_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    47_B     K    47_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    48_B     E    48_B     23   27   47     14   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     V    49_B     V    49_B     23   27   47     14   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     I    50_B     I    50_B     23   27   47     14   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    51_B     E    51_B     23   27   47     12   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    52_B     K    52_B     23   27   47     10   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     I    53_B     I    53_B     23   27   47     14   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     L    54_B     L    54_B     23   27   47     10   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     E    55_B     E    55_B     23   27   47     10   20   21   23   25   26   28   30   32   34   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     N    56_B     N    56_B     23   27   47      9   20   21   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     R    57_B     R    57_B     23   27   47     10   20   21   23   25   26   28   30   32   33   37   38   40   42   43   45   46   47   48   48 
LCS_GDT     K    58_B     K    58_B     23   27   47      4   11   18   23   25   26   28   30   32   33   37   38   40   42   44   45   46   47   48   48 
LCS_GDT     K    64_B     K    64_B      4   25   44      4    5    5    5    7    8   10   12   14   25   30   32   35   39   40   42   43   44   46   48 
LCS_GDT     V    65_B     V    65_B      4    4   42      4    5    5    5    7    8   10   12   14   15   22   28   32   35   39   42   43   44   46   48 
LCS_GDT     E    66_B     E    66_B      4    4   37      4    5    5    5    7    8   10   12   14   19   22   23   29   33   37   39   40   43   46   48 
LCS_GDT     I    67_B     I    67_B      4    4   36      4    5    5    5    7   14   16   19   22   29   30   32   35   36   37   39   41   44   46   48 
LCS_GDT     P    68_B     P    68_B      5   22   29      4    5    6   18   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     P    69_B     P    69_B      5   22   26      4    5    6   17   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     G    70_B     G    70_B     20   22   26      4    5    5   10   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     M    71_B     M    71_B     20   22   26      7   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   43   46   48 
LCS_GDT     E    72_B     E    72_B     20   22   26     10   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   41   43   46   48 
LCS_GDT     W    73_B     W    73_B     20   22   26      9   18   19   20   23   24   26   27   28   29   30   32   35   36   37   40   43   44   46   48 
LCS_GDT     F    74_B     F    74_B     20   22   26      7   18   19   20   23   24   26   27   28   29   31   32   35   39   40   42   43   44   46   48 
LCS_GDT     Y    75_B     Y    75_B     20   22   26     10   18   19   20   23   24   26   27   28   30   31   32   35   39   40   42   43   44   46   48 
LCS_GDT     E    76_B     E    76_B     20   22   26     10   18   19   20   23   24   26   27   28   30   31   32   35   39   40   42   43   44   46   48 
LCS_GDT     N    77_B     N    77_B     20   22   26     10   18   19   22   25   26   28   28   29   30   31   32   35   39   40   42   43   44   46   48 
LCS_GDT     F    78_B     F    78_B     20   22   26     10   18   19   20   25   26   28   28   29   30   31   33   35   39   40   42   43   44   46   48 
LCS_GDT     L    79_B     L    79_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   39   40   42   43   44   46   48 
LCS_GDT     R    80_B     R    80_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   39   40   42   43   44   46   48 
LCS_GDT     Y    81_B     Y    81_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   39   40   42   43   44   46   48 
LCS_GDT     Y    82_B     Y    82_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   44   46 
LCS_GDT     D    83_B     D    83_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     Y    84_B     Y    84_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     E    85_B     E    85_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     E    86_B     E    86_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     E    87_B     E    87_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     K    88_B     K    88_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_GDT     L    89_B     L    89_B     20   22   26     11   18   19   20   23   24   26   27   28   29   30   32   35   36   37   39   40   41   42   45 
LCS_AVERAGE  LCS_A:  36.24  (  24.22   31.20   53.31 )

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     20     21     23     25     26     28     30     32     34     37     38     40     42     44     45     46     47     48     48 
GDT PERCENT_AT  18.42  26.32  27.63  30.26  32.89  34.21  36.84  39.47  42.11  44.74  48.68  50.00  52.63  55.26  57.89  59.21  60.53  61.84  63.16  63.16
GDT RMS_LOCAL    0.29   0.63   0.67   0.94   1.21   1.34   1.64   2.26   2.53   3.30   3.42   3.53   3.93   4.22   4.50   4.62   4.74   4.89   5.06   5.07
GDT RMS_ALL_AT  14.06  14.20  14.15  14.32  14.61  14.10  14.30  13.94  13.99  16.57  14.40  14.47  14.91  15.16  15.83  15.85  15.70  15.70  15.95  15.86

# Checking swapping
#   possible swapping detected:  E    12_B      E    12_B
#   possible swapping detected:  E    13_B      E    13_B
#   possible swapping detected:  E    21_B      E    21_B
#   possible swapping detected:  F    34_B      F    34_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    51_B      E    51_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  D    83_B      D    83_B
#   possible swapping detected:  Y    84_B      Y    84_B
#   possible swapping detected:  E    85_B      E    85_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  E    87_B      E    87_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     9_B      S     9_B    27.272     0    0.046   0.075    28.600    0.000    0.000
LGA    P    10_B      P    10_B    30.018     0    0.119   0.170    32.477    0.000    0.000
LGA    K    11_B      K    11_B    25.025     0    0.036   0.907    31.035    0.000    0.000
LGA    E    12_B      E    12_B    19.300     0    0.058   0.826    21.504    0.000    0.000
LGA    E    13_B      E    13_B    22.484     0    0.036   0.970    26.074    0.000    0.000
LGA    K    14_B      K    14_B    22.897     0    0.067   0.782    29.177    0.000    0.000
LGA    F    15_B      F    15_B    16.704     0    0.026   1.145    19.021    0.000    0.000
LGA    K    16_B      K    16_B    13.962     0    0.077   1.448    18.230    0.000    0.000
LGA    K    17_B      K    17_B    17.663     0    0.060   1.002    22.930    0.000    0.000
LGA    K    18_B      K    18_B    16.110     0    0.041   1.064    19.533    0.000    0.000
LGA    L    19_B      L    19_B     9.678     0    0.065   1.422    12.096    2.262    5.357
LGA    E    20_B      E    20_B    10.396     0    0.058   0.264    16.450    0.000    0.000
LGA    E    21_B      E    21_B    13.019     0    0.035   0.839    21.308    0.000    0.000
LGA    E    22_B      E    22_B     9.693     0    0.038   1.162    14.498    5.952    2.698
LGA    L    23_B      L    23_B     4.626     0    0.063   1.430     6.404   27.976   32.560
LGA    K    24_B      K    24_B     8.342     0    0.026   0.635    16.144    7.976    3.545
LGA    K    25_B      K    25_B     8.415     0    0.048   1.222    13.915   12.024    5.344
LGA    I    26_B      I    26_B     3.792     0    0.032   0.607     6.152   51.786   40.238
LGA    R    27_B      R    27_B     3.754     0    0.044   1.053    15.340   45.238   19.091
LGA    E    28_B      E    28_B     5.386     0    0.040   0.945    13.429   36.071   17.302
LGA    R    29_B      R    29_B     3.145     0    0.042   1.585    13.311   55.476   26.883
LGA    L    30_B      L    30_B     3.889     0    0.081   0.841     9.798   42.857   26.607
LGA    L    31_B      L    31_B     5.156     0    0.209   1.407    11.260   35.952   20.833
LGA    M    32_B      M    32_B     1.884     0    0.223   0.864     3.963   57.619   55.833
LGA    V    33_B      V    33_B     5.043     0    0.634   1.399     8.130   24.524   20.952
LGA    F    34_B      F    34_B     7.868     0    0.537   1.182    14.876   14.643    5.368
LGA    D    35_B      D    35_B     4.358     0    0.068   0.775     7.512   43.333   29.524
LGA    E    36_B      E    36_B     1.945     0    0.602   0.848     8.989   77.143   41.587
LGA    E    37_B      E    37_B     1.706     0    0.069   0.146     3.777   79.405   67.196
LGA    R    38_B      R    38_B     1.343     0    0.048   1.343     7.788   83.690   61.602
LGA    V    39_B      V    39_B     0.685     0    0.033   0.938     3.190   90.476   79.932
LGA    E    40_B      E    40_B     0.892     0    0.048   1.223     6.502   90.476   66.878
LGA    E    41_B      E    41_B     1.041     0    0.050   0.089     3.113   88.214   72.751
LGA    Y    42_B      Y    42_B     1.174     0    0.030   0.341     6.210   83.690   55.833
LGA    M    43_B      M    43_B     1.134     0    0.056   1.135     6.943   88.214   62.440
LGA    K    44_B      K    44_B     0.539     0    0.026   0.839     3.093   97.619   81.693
LGA    I    45_B      I    45_B     0.868     0    0.037   1.298     5.098   90.476   71.369
LGA    M    46_B      M    46_B     1.545     0    0.048   1.146     2.780   77.143   74.107
LGA    K    47_B      K    47_B     1.392     0    0.047   1.167     4.013   85.952   64.868
LGA    E    48_B      E    48_B     0.476     0    0.043   0.742     2.532   95.238   85.873
LGA    V    49_B      V    49_B     1.550     0    0.043   0.955     4.369   79.286   65.170
LGA    I    50_B      I    50_B     2.016     0    0.030   0.114     3.909   70.833   60.476
LGA    E    51_B      E    51_B     1.363     0    0.059   1.236     4.975   83.690   61.164
LGA    K    52_B      K    52_B     1.254     0    0.042   1.327    10.953   83.690   50.106
LGA    I    53_B      I    53_B     2.030     0    0.028   0.644     3.801   72.976   59.821
LGA    L    54_B      L    54_B     2.304     0    0.046   0.108     4.867   68.810   53.869
LGA    E    55_B      E    55_B     1.957     0    0.041   1.239     7.251   77.143   51.958
LGA    N    56_B      N    56_B     1.536     0    0.031   0.432     4.129   83.810   67.083
LGA    R    57_B      R    57_B     1.348     0    0.071   1.363    11.626   83.690   42.857
LGA    K    58_B      K    58_B     2.975     0    0.037   1.096    10.881   57.500   32.116
LGA    K    64_B      K    64_B    11.406     0    0.567   1.107    13.433    0.000    0.000
LGA    V    65_B      V    65_B    13.175     0    0.133   1.131    16.187    0.000    0.000
LGA    E    66_B      E    66_B    19.428     0    0.609   0.926    25.069    0.000    0.000
LGA    I    67_B      I    67_B    18.494     0    0.289   0.300    19.481    0.000    0.000
LGA    P    68_B      P    68_B    21.899     0    0.595   0.742    22.976    0.000    0.000
LGA    P    69_B      P    69_B    26.526     0    0.172   0.345    30.019    0.000    0.000
LGA    G    70_B      G    70_B    24.114     0    0.191   0.191    25.233    0.000    0.000
LGA    M    71_B      M    71_B    18.010     0    0.252   0.260    20.386    0.000    0.000
LGA    E    72_B      E    72_B    19.778     0    0.053   1.111    27.133    0.000    0.000
LGA    W    73_B      W    73_B    18.552     0    0.050   1.483    19.723    0.000    0.000
LGA    F    74_B      F    74_B    12.203     0    0.047   0.134    14.743    0.119    8.052
LGA    Y    75_B      Y    75_B    12.069     0    0.036   0.904    18.079    0.000    0.000
LGA    E    76_B      E    76_B    16.288     0    0.040   1.168    22.428    0.000    0.000
LGA    N    77_B      N    77_B    12.110     0    0.068   0.960    13.532    0.000    0.000
LGA    F    78_B      F    78_B     7.693     0    0.026   1.417     9.783    2.381   24.719
LGA    L    79_B      L    79_B    13.417     0    0.031   0.073    16.507    0.000    0.000
LGA    R    80_B      R    80_B    15.729     0    0.031   0.792    18.857    0.000    0.000
LGA    Y    81_B      Y    81_B    11.315     0    0.049   1.058    13.463    0.000   10.992
LGA    Y    82_B      Y    82_B    13.351     0    0.053   1.313    18.071    0.000    0.000
LGA    D    83_B      D    83_B    19.418     0    0.028   1.367    23.798    0.000    0.000
LGA    Y    84_B      Y    84_B    19.225     0    0.045   1.322    21.233    0.000    0.000
LGA    E    85_B      E    85_B    18.502     0    0.036   1.191    22.104    0.000    0.000
LGA    E    86_B      E    86_B    22.616     0    0.043   1.124    26.617    0.000    0.000
LGA    E    87_B      E    87_B    27.015     0    0.096   1.563    31.072    0.000    0.000
LGA    K    88_B      K    88_B    26.348     0    0.036   0.730    29.370    0.000    0.000
LGA    L    89_B      L    89_B    27.903     0    0.136   0.867    31.706    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       76     304    304  100.00     680    680  100.00                76
SUMMARY(RMSD_GDC):    12.890         12.708                 13.421           30.992   23.509

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   76    4.0     30    2.26    38.816    37.168     1.273

LGA_LOCAL      RMSD:   2.256  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.941  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:  12.890  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.528892 * X  +   0.523252 * Y  +  -0.668192 * Z  + -42.693653
  Y_new =   0.109678 * X  +  -0.822860 * Y  +  -0.557559 * Z  +  19.236029
  Z_new =  -0.841572 * X  +   0.221602 * Y  +  -0.492593 * Z  +  80.184258 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.204475  1.000188  2.718848   [DEG:   11.7155   57.3065  155.7785 ]
ZXZ: -0.875412  2.085864 -1.313322   [DEG:  -50.1574  119.5112  -75.2478 ]
 
# END of job
