
#######################################################
#                                                     #
#                        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:    50       9_B - 58_B        3.89    15.79
  LCS_AVERAGE:     55.14

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      27_B - 58_B        1.99    14.12
  LCS_AVERAGE:     34.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      34_B - 58_B        0.80    14.45
  LCS_AVERAGE:     26.18

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     18   26   50      4   10   18   22   26   31   34   37   38   42   43   45   48   49   50   50   50   50   50   50 
LCS_GDT     P    10_B     P    10_B     19   26   50      4   14   20   25   27   31   34   37   38   42   43   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    11_B     K    11_B     19   26   50      7   14   20   25   27   31   34   37   38   42   43   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    12_B     E    12_B     20   26   50      7   14   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    13_B     E    13_B     20   26   50      7   14   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    14_B     K    14_B     20   26   50      7   14   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     F    15_B     F    15_B     20   26   50      7   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    16_B     K    16_B     20   26   50      7   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    17_B     K    17_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    18_B     K    18_B     20   26   50      8   14   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     L    19_B     L    19_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    20_B     E    20_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    21_B     E    21_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    22_B     E    22_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     L    23_B     L    23_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    24_B     K    24_B     20   26   50      7   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    25_B     K    25_B     20   26   50      8   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     I    26_B     I    26_B     20   28   50      6   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     R    27_B     R    27_B     20   32   50      6   17   20   25   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    28_B     E    28_B     20   32   50      6   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     R    29_B     R    29_B     20   32   50      6   17   20   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     L    30_B     L    30_B     20   32   50      6   17   21   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     L    31_B     L    31_B     20   32   50      4   17   20   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     M    32_B     M    32_B     20   32   50      4   17   21   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     V    33_B     V    33_B     19   32   50      4   10   19   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     F    34_B     F    34_B     25   32   50      3   13   16   25   27   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     D    35_B     D    35_B     25   32   50     13   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    36_B     E    36_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    37_B     E    37_B     25   32   50     16   23   24   26   28   31   33   36   38   40   44   45   47   49   50   50   50   50   50   50 
LCS_GDT     R    38_B     R    38_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     V    39_B     V    39_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    40_B     E    40_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    41_B     E    41_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     Y    42_B     Y    42_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     M    43_B     M    43_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    44_B     K    44_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     I    45_B     I    45_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     M    46_B     M    46_B     25   32   50     16   23   24   26   28   31   34   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    47_B     K    47_B     25   32   50     16   23   24   26   28   31   34   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    48_B     E    48_B     25   32   50     16   23   24   26   28   31   34   37   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     V    49_B     V    49_B     25   32   50     16   23   24   26   28   31   33   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     I    50_B     I    50_B     25   32   50     16   23   24   26   28   31   33   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    51_B     E    51_B     25   32   50     11   23   24   26   28   31   34   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    52_B     K    52_B     25   32   50     13   23   24   26   28   31   34   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     I    53_B     I    53_B     25   32   50     11   23   24   26   28   31   33   35   37   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     L    54_B     L    54_B     25   32   50      8   23   24   26   28   31   33   35   38   41   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     E    55_B     E    55_B     25   32   50     10   23   24   26   28   31   34   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     N    56_B     N    56_B     25   32   50     13   23   24   26   28   31   33   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     R    57_B     R    57_B     25   32   50     16   23   24   26   28   31   33   35   37   40   44   45   47   48   50   50   50   50   50   50 
LCS_GDT     K    58_B     K    58_B     25   32   50      4   14   24   25   28   31   33   36   39   42   44   45   48   49   50   50   50   50   50   50 
LCS_GDT     K    64_B     K    64_B      4    5   46      3    4    4    5    5    6    7    7   11   11   15   19   24   26   28   31   35   40   42   46 
LCS_GDT     V    65_B     V    65_B      4    5   36      3    4    4    5    5    6    7    8   11   12   18   19   24   26   28   31   34   36   41   46 
LCS_GDT     E    66_B     E    66_B      4    5   28      3    4    4    5    5    6    9   13   15   18   20   23   28   32   35   37   37   39   42   42 
LCS_GDT     I    67_B     I    67_B      4    5   25      3    4    4    5    7   12   14   19   23   28   30   30   33   34   36   37   37   40   42   46 
LCS_GDT     P    68_B     P    68_B      5   22   25      3    5   10   16   20   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     P    69_B     P    69_B      5   22   25      3    5    8   14   19   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     G    70_B     G    70_B      5   22   25      3    5    5   12   19   23   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     M    71_B     M    71_B     19   22   25     10   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   45 
LCS_GDT     E    72_B     E    72_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   40   42   45 
LCS_GDT     W    73_B     W    73_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   38   40   42   46 
LCS_GDT     F    74_B     F    74_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   31   33   34   36   38   40   42   43   46 
LCS_GDT     Y    75_B     Y    75_B     19   22   25     11   17   19   21   22   24   25   28   28   29   31   32   33   35   36   38   40   42   43   46 
LCS_GDT     E    76_B     E    76_B     19   22   25     11   17   19   21   22   24   25   28   28   29   30   31   33   35   36   38   40   42   43   46 
LCS_GDT     N    77_B     N    77_B     19   22   25     11   17   19   21   25   27   27   28   29   30   31   32   33   35   36   38   40   42   43   46 
LCS_GDT     F    78_B     F    78_B     19   22   25     11   17   19   21   26   27   28   29   30   31   31   33   35   35   36   38   40   42   43   46 
LCS_GDT     L    79_B     L    79_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   30   33   35   36   38   40   42   43   46 
LCS_GDT     R    80_B     R    80_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   30   33   35   36   38   40   42   43   46 
LCS_GDT     Y    81_B     Y    81_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   30   33   35   36   38   40   42   43   46 
LCS_GDT     Y    82_B     Y    82_B     19   22   25      7   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   43   43 
LCS_GDT     D    83_B     D    83_B     19   22   25      6   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     Y    84_B     Y    84_B     19   22   25     11   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     E    85_B     E    85_B     19   22   25      6   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     E    86_B     E    86_B     19   22   25      6   15   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     E    87_B     E    87_B     19   22   25      6   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     K    88_B     K    88_B     19   22   25      6   17   19   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_GDT     L    89_B     L    89_B     19   22   25      4   11   18   21   22   24   25   27   28   29   30   30   33   34   36   37   37   39   42   42 
LCS_AVERAGE  LCS_A:  38.64  (  26.18   34.59   55.14 )

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     23     24     26     28     31     34     37     39     42     44     45     48     49     50     50     50     50     50     50 
GDT PERCENT_AT  21.05  30.26  31.58  34.21  36.84  40.79  44.74  48.68  51.32  55.26  57.89  59.21  63.16  64.47  65.79  65.79  65.79  65.79  65.79  65.79
GDT RMS_LOCAL    0.30   0.59   0.68   1.17   1.31   1.68   2.10   2.40   2.69   2.87   3.30   3.23   3.60   3.72   3.89   3.89   3.89   3.89   3.89   3.89
GDT RMS_ALL_AT  14.24  14.37  14.41  14.04  14.06  16.10  17.49  17.64  16.41  16.74  15.17  16.31  15.92  15.96  15.79  15.79  15.79  15.79  15.79  15.79

# Checking swapping
#   possible swapping detected:  E    12_B      E    12_B
#   possible swapping detected:  E    20_B      E    20_B
#   possible swapping detected:  E    21_B      E    21_B
#   possible swapping detected:  E    22_B      E    22_B
#   possible swapping detected:  E    28_B      E    28_B
#   possible swapping detected:  F    34_B      F    34_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    51_B      E    51_B
#   possible swapping detected:  F    74_B      F    74_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  D    83_B      D    83_B
#   possible swapping detected:  Y    84_B      Y    84_B
#   possible swapping detected:  E    86_B      E    86_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     9_B      S     9_B     2.507     0    0.590   0.897     4.855   52.619   48.651
LGA    P    10_B      P    10_B     3.643     0    0.037   0.341     4.597   51.905   46.531
LGA    K    11_B      K    11_B     2.508     0    0.073   1.008     7.912   67.143   46.614
LGA    E    12_B      E    12_B     0.805     0    0.023   0.983     5.391   90.595   65.026
LGA    E    13_B      E    13_B     2.014     0    0.042   0.996     8.749   77.262   46.667
LGA    K    14_B      K    14_B     2.450     0    0.028   0.604     7.199   68.810   45.873
LGA    F    15_B      F    15_B     2.673     0    0.033   0.198     5.984   62.976   42.338
LGA    K    16_B      K    16_B     2.211     0    0.047   1.233    11.511   72.976   43.228
LGA    K    17_B      K    17_B     0.950     0    0.078   1.294     6.230   90.476   59.841
LGA    K    18_B      K    18_B     2.840     0    0.054   0.592     8.024   61.071   38.095
LGA    L    19_B      L    19_B     3.456     0    0.041   0.124     6.739   55.357   39.405
LGA    E    20_B      E    20_B     2.134     0    0.050   0.707     6.645   73.095   47.037
LGA    E    21_B      E    21_B     0.823     0    0.051   1.219     4.939   92.857   62.434
LGA    E    22_B      E    22_B     2.717     0    0.029   0.831     6.663   61.071   38.307
LGA    L    23_B      L    23_B     3.103     0    0.084   0.082     5.790   59.167   44.286
LGA    K    24_B      K    24_B     1.525     0    0.029   0.875     3.884   81.667   68.254
LGA    K    25_B      K    25_B     0.762     0    0.050   1.178     3.543   92.857   74.974
LGA    I    26_B      I    26_B     1.697     0    0.056   1.240     4.418   79.286   62.440
LGA    R    27_B      R    27_B     1.659     0    0.041   1.037     4.355   77.143   62.771
LGA    E    28_B      E    28_B     0.756     0    0.037   0.641     3.146   92.857   73.545
LGA    R    29_B      R    29_B     0.772     0    0.042   1.618     6.295   90.595   63.983
LGA    L    30_B      L    30_B     1.963     0    0.091   0.211     4.443   77.143   61.190
LGA    L    31_B      L    31_B     1.353     0    0.207   0.939     5.891   85.952   63.333
LGA    M    32_B      M    32_B     0.831     0    0.234   0.276     1.506   90.476   86.012
LGA    V    33_B      V    33_B     1.234     0    0.069   1.135     3.996   81.429   72.517
LGA    F    34_B      F    34_B     2.204     0    0.389   0.562    10.693   79.524   35.325
LGA    D    35_B      D    35_B     3.656     0    0.191   1.223    10.003   53.810   30.774
LGA    E    36_B      E    36_B     4.324     0    0.048   0.788     9.504   38.690   22.381
LGA    E    37_B      E    37_B     5.741     0    0.038   0.102     9.772   27.619   14.444
LGA    R    38_B      R    38_B     4.252     0    0.048   1.199    13.495   47.143   22.944
LGA    V    39_B      V    39_B     0.492     0    0.025   0.974     3.453   90.833   79.116
LGA    E    40_B      E    40_B     2.456     0    0.026   0.331     5.975   70.833   45.661
LGA    E    41_B      E    41_B     2.843     0    0.033   0.114     7.295   60.952   38.624
LGA    Y    42_B      Y    42_B     2.763     0    0.028   0.284     6.519   59.167   38.532
LGA    M    43_B      M    43_B     2.497     0    0.033   0.143     6.157   63.095   51.012
LGA    K    44_B      K    44_B     0.918     0    0.043   0.914     2.232   83.690   77.778
LGA    I    45_B      I    45_B     3.065     0    0.045   0.648     5.636   50.833   39.940
LGA    M    46_B      M    46_B     5.544     0    0.054   1.130     7.212   23.333   22.976
LGA    K    47_B      K    47_B     5.177     0    0.039   1.063     6.750   27.619   22.540
LGA    E    48_B      E    48_B     3.158     0    0.035   0.990     4.965   40.714   50.000
LGA    V    49_B      V    49_B     7.218     0    0.044   0.911    10.634   10.357    6.667
LGA    I    50_B      I    50_B     9.164     0    0.040   0.101    10.691    2.381    1.369
LGA    E    51_B      E    51_B     6.713     0    0.061   1.248     7.388   11.667   18.730
LGA    K    52_B      K    52_B     7.208     0    0.043   1.059     9.422    6.548    8.730
LGA    I    53_B      I    53_B    12.120     0    0.040   0.648    15.275    0.000    0.000
LGA    L    54_B      L    54_B    12.257     0    0.039   0.247    14.551    0.000    0.000
LGA    E    55_B      E    55_B     8.521     0    0.020   1.190     9.636    1.071   17.460
LGA    N    56_B      N    56_B    11.794     0    0.027   1.456    13.882    0.000    0.000
LGA    R    57_B      R    57_B    15.841     0    0.070   1.630    26.525    0.000    0.000
LGA    K    58_B      K    58_B    13.270     0    0.064   0.969    14.758    0.000    0.000
LGA    K    64_B      K    64_B    33.030     0    0.603   1.516    39.328    0.000    0.000
LGA    V    65_B      V    65_B    29.169     0    0.055   1.126    31.214    0.000    0.000
LGA    E    66_B      E    66_B    32.339     0    0.631   0.486    38.117    0.000    0.000
LGA    I    67_B      I    67_B    29.631     0    0.640   1.048    30.955    0.000    0.000
LGA    P    68_B      P    68_B    30.461     0    0.567   0.624    32.120    0.000    0.000
LGA    P    69_B      P    69_B    36.090     0    0.134   0.359    38.694    0.000    0.000
LGA    G    70_B      G    70_B    35.233     0    0.184   0.184    35.739    0.000    0.000
LGA    M    71_B      M    71_B    28.473     0    0.240   0.564    31.130    0.000    0.000
LGA    E    72_B      E    72_B    30.701     0    0.066   0.923    39.481    0.000    0.000
LGA    W    73_B      W    73_B    31.739     0    0.095   1.050    34.284    0.000    0.000
LGA    F    74_B      F    74_B    24.388     0    0.069   1.496    27.129    0.000    0.000
LGA    Y    75_B      Y    75_B    23.144     0    0.028   1.398    26.558    0.000    0.000
LGA    E    76_B      E    76_B    28.834     0    0.043   0.914    35.637    0.000    0.000
LGA    N    77_B      N    77_B    25.714     0    0.083   0.933    28.625    0.000    0.000
LGA    F    78_B      F    78_B    19.359     0    0.044   1.327    21.568    0.000    0.000
LGA    L    79_B      L    79_B    24.269     0    0.038   0.919    28.595    0.000    0.000
LGA    R    80_B      R    80_B    28.052     0    0.038   0.588    35.119    0.000    0.000
LGA    Y    81_B      Y    81_B    22.008     0    0.044   1.452    23.782    0.000    0.000
LGA    Y    82_B      Y    82_B    21.518     0    0.049   1.380    25.052    0.000    0.000
LGA    D    83_B      D    83_B    29.074     0    0.028   1.072    31.216    0.000    0.000
LGA    Y    84_B      Y    84_B    28.841     0    0.049   1.357    29.692    0.000    0.000
LGA    E    85_B      E    85_B    25.225     0    0.046   1.234    28.454    0.000    0.000
LGA    E    86_B      E    86_B    30.132     0    0.045   1.277    34.263    0.000    0.000
LGA    E    87_B      E    87_B    35.679     0    0.066   1.004    40.499    0.000    0.000
LGA    K    88_B      K    88_B    33.087     0    0.050   0.733    35.720    0.000    0.000
LGA    L    89_B      L    89_B    34.167     0    0.136   0.939    38.442    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):    13.452         13.275                 13.791           36.009   26.952

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   76    4.0     37    2.40    44.737    43.060     1.481

LGA_LOCAL      RMSD:   2.398  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.639  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:  13.452  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.416663 * X  +   0.907873 * Y  +   0.046471 * Z  + -64.433525
  Y_new =   0.888919 * X  +  -0.396197 * Y  +  -0.229894 * Z  + -91.468361
  Z_new =  -0.190303 * X  +   0.137097 * Y  +  -0.972106 * Z  +  24.485582 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.132476  0.191471  3.001486   [DEG:   64.8861   10.9705  171.9725 ]
ZXZ:  0.199452  2.904843 -0.946501   [DEG:   11.4277  166.4353  -54.2305 ]
 
# END of job
