
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -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       8_A - 85_A        4.92     6.47
  LONGEST_CONTINUOUS_SEGMENT:    78       9_A - 86_A        4.82     6.51
  LONGEST_CONTINUOUS_SEGMENT:    78      10_A - 87_A        4.98     6.55
  LCS_AVERAGE:     93.51

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64       9_A - 72_A        1.99     6.88
  LCS_AVERAGE:     62.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      11_A - 66_A        0.98     7.29
  LCS_AVERAGE:     50.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      4    7   69      4    4    5    6    6    7    7    7   11   12   12   13   15   17   17   17   23   24   58   62 
LCS_GDT     K     7_B     K     7_A      4    7   74      4    4    5    6    6    7    7    8   11   12   12   37   41   46   50   58   63   66   68   70 
LCS_GDT     P     8_B     P     8_A      4    7   78      4    4    5    6   10   11   16   30   38   49   56   57   58   63   64   64   65   68   71   73 
LCS_GDT     K     9_B     K     9_A      4   64   78      4    4    5    6   16   29   43   54   55   57   63   63   64   65   67   67   70   71   72   74 
LCS_GDT     A    10_B     A    10_A      3   64   78      3    3    4    5   45   54   61   62   62   63   65   65   66   68   70   72   72   74   76   77 
LCS_GDT     K    11_B     K    11_A     56   64   78      3    4    8   50   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     R    12_B     R    12_A     56   64   78      3    5   47   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     T    13_B     T    13_A     56   64   78     20   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     W    14_B     W    14_A     56   64   78     22   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     S    15_B     S    15_A     56   64   78     22   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    16_B     K    16_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    17_B     E    17_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    18_B     E    18_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    19_B     E    19_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    20_B     E    20_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     A    21_B     A    21_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    22_B     L    22_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     V    23_B     V    23_A     56   64   78     16   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    24_B     E    24_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     G    25_B     G    25_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    26_B     L    26_A     56   64   78     15   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    27_B     K    27_A     56   64   78     16   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    28_B     E    28_A     56   64   78     18   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     V    29_B     V    29_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     G    30_B     G    30_A     56   64   78      5   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     P    31_B     P    31_A     56   64   78     14   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     S    32_B     S    32_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     W    33_B     W    33_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     S    34_B     S    34_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    35_B     K    35_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     I    36_B     I    36_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    37_B     L    37_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     D    38_B     D    38_A     56   64   78     22   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    39_B     L    39_A     56   64   78     16   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     Y    40_B     Y    40_A     56   64   78     24   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     G    41_B     G    41_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     P    42_B     P    42_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     G    43_B     G    43_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     G    44_B     G    44_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    45_B     K    45_A     56   64   78     16   32   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     I    46_B     I    46_A     56   64   78     16   32   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     T    47_B     T    47_A     56   64   78     16   39   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     E    48_B     E    48_A     56   64   78     16   42   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     N    49_B     N    49_A     56   64   78     16   37   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    50_B     L    50_A     56   64   78     16   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    51_B     K    51_A     56   64   78     16   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     N    52_B     N    52_A     56   64   78     16   35   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     R    53_B     R    53_A     56   64   78     24   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     T    54_B     T    54_A     56   64   78     25   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     Q    55_B     Q    55_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     V    56_B     V    56_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     Q    57_B     Q    57_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    58_B     L    58_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    59_B     K    59_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     D    60_B     D    60_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    61_B     K    61_A     56   64   78     27   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     A    62_B     A    62_A     56   64   78     10   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     R    63_B     R    63_A     56   64   78     10   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     N    64_B     N    64_A     56   64   78      9   46   52   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     W    65_B     W    65_A     56   64   78     13   35   51   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    66_B     K    66_A     56   64   78      6   24   45   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    67_B     L    67_A     55   64   78      5   23   44   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     Q    68_B     Q    68_A     41   64   78      6   23   45   55   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     Y    69_B     Y    69_A     39   64   78      6   16   35   49   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     L    70_B     L    70_A     38   64   78      6   15   32   49   60   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     K    71_B     K    71_A     12   64   78      6   15   28   44   59   61   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     S    72_B     S    72_A      3   64   78      1    9   25   37   48   58   62   62   62   63   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     G    73_B     G    73_A      4   42   78      3    4    5    9   10   14   17   23   28   34   39   46   61   69   71   72   73   74   76   77 
LCS_GDT     K    74_B     K    74_A      7   12   78      3    4    8   10   10   14   17   23   27   33   37   42   49   53   57   68   73   74   76   77 
LCS_GDT     P    75_B     P    75_A      9   12   78      3    9    9   10   10   14   19   25   30   35   41   46   49   53   61   69   73   74   76   77 
LCS_GDT     L    76_B     L    76_A      9   12   78      6    9    9   10   11   15   23   29   36   42   50   55   61   69   71   72   73   74   76   77 
LCS_GDT     P    77_B     P    77_A      9   12   78      6    9    9   11   17   27   36   44   47   50   56   63   67   69   71   72   73   74   76   77 
LCS_GDT     D    78_B     D    78_A      9   12   78      6    9    9   10   11   25   35   42   47   50   54   59   65   69   71   72   73   74   76   77 
LCS_GDT     Y    79_B     Y    79_A      9   12   78      6    9    9   10   10   15   34   42   47   50   56   64   67   69   71   72   73   74   76   77 
LCS_GDT     L    80_B     L    80_A      9   12   78      6    9    9   11   17   27   38   44   47   54   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     I    81_B     I    81_A      9   12   78      6    9    9   10   10   20   34   42   47   50   56   61   67   69   71   72   73   74   76   77 
LCS_GDT     K    82_B     K    82_A      9   12   78      4    9    9   10   10   16   24   41   47   48   53   58   65   69   71   72   73   74   76   77 
LCS_GDT     V    83_B     V    83_A      9   12   78      6    9    9   11   17   27   35   44   47   54   65   65   67   69   71   72   73   74   76   77 
LCS_GDT     T    84_B     T    84_A      3   12   78      3    3    4    6    8   11   19   24   30   34   39   45   52   58   61   66   72   74   76   77 
LCS_GDT     G    85_B     G    85_A      4    5   78      3    3    4    4    4    5   10   11   14   31   35   41   44   47   60   60   66   69   70   77 
LCS_GDT     N    86_B     N    86_A      4    4   78      3    3    4    4    7    9   16   24   27   33   36   42   47   58   60   63   72   74   76   77 
LCS_GDT     L    87_B     L    87_A      4    4   78      3    3    4    4    4    4    5    8   12   13   15   15   43   48   51   53   57   60   63   66 
LCS_GDT     E    88_B     E    88_A      4    4   59      3    3    4    4    4    4   10   11   13   15   15   26   43   48   51   53   57   60   63   66 
LCS_AVERAGE  LCS_A:  68.73  (  50.14   62.53   93.51 )

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     27     46     52     55     60     61     62     62     62     63     65     65     67     69     71     72     73     74     76     77 
GDT PERCENT_AT  32.53  55.42  62.65  66.27  72.29  73.49  74.70  74.70  74.70  75.90  78.31  78.31  80.72  83.13  85.54  86.75  87.95  89.16  91.57  92.77
GDT RMS_LOCAL    0.36   0.61   0.74   0.92   1.32   1.40   1.55   1.51   1.51   1.67   2.25   2.25   2.96   3.35   3.69   3.74   4.09   4.14   4.49   4.69
GDT RMS_ALL_AT   7.49   7.42   7.39   7.28   7.03   6.97   6.95   6.94   6.94   6.92   6.74   6.74   6.61   6.57   6.66   6.62   6.82   6.76   6.64   6.58

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    22.764     0    0.652   1.323    32.464    0.000    0.000
LGA    K     7_B      K     7_A    18.234     0    0.051   1.295    19.551    0.000    0.000
LGA    P     8_B      P     8_A    12.940     0    0.096   0.298    16.504    0.000    0.000
LGA    K     9_B      K     9_A     8.889     0    0.117   0.743    13.094   10.714    5.238
LGA    A    10_B      A    10_A     4.735     0    0.245   0.309     6.617   38.929   33.810
LGA    K    11_B      K    11_A     2.509     0    0.148   0.827    11.261   61.071   32.487
LGA    R    12_B      R    12_A     1.797     0    0.167   0.841     7.935   79.405   45.714
LGA    T    13_B      T    13_A     1.331     0    0.069   0.963     4.064   79.286   72.789
LGA    W    14_B      W    14_A     0.926     0    0.046   0.222     1.486   83.690   86.633
LGA    S    15_B      S    15_A     1.410     0    0.069   0.084     1.510   81.429   80.000
LGA    K    16_B      K    16_A     1.671     0    0.040   0.833     3.666   77.143   66.455
LGA    E    17_B      E    17_A     1.214     0    0.045   0.828     2.114   83.690   82.593
LGA    E    18_B      E    18_A     0.626     0    0.039   0.377     0.939   90.476   90.476
LGA    E    19_B      E    19_A     1.108     0    0.038   0.639     1.824   83.690   81.481
LGA    E    20_B      E    20_A     1.243     0    0.049   0.350     2.383   81.429   78.624
LGA    A    21_B      A    21_A     0.814     0    0.049   0.050     0.924   90.476   90.476
LGA    L    22_B      L    22_A     0.876     0    0.055   1.352     3.301   85.952   76.786
LGA    V    23_B      V    23_A     1.518     0    0.068   0.082     2.003   77.143   74.150
LGA    E    24_B      E    24_A     1.274     0    0.026   0.973     2.696   81.429   76.825
LGA    G    25_B      G    25_A     0.616     0    0.040   0.040     0.880   90.476   90.476
LGA    L    26_B      L    26_A     1.602     0    0.051   0.902     3.500   75.000   70.119
LGA    K    27_B      K    27_A     1.652     0    0.201   1.080     5.782   70.833   56.190
LGA    E    28_B      E    28_A     1.161     0    0.067   0.864     2.480   85.952   77.831
LGA    V    29_B      V    29_A     0.587     0    0.250   1.162     2.971   83.810   80.612
LGA    G    30_B      G    30_A     1.510     0    0.242   0.242     2.182   72.976   72.976
LGA    P    31_B      P    31_A     1.112     0    0.267   0.499     2.041   81.548   81.701
LGA    S    32_B      S    32_A     0.927     0    0.150   0.759     2.613   90.476   83.413
LGA    W    33_B      W    33_A     0.715     0    0.033   1.296     4.162   90.476   73.367
LGA    S    34_B      S    34_A     0.823     0    0.031   0.680     1.099   90.476   87.460
LGA    K    35_B      K    35_A     0.509     0    0.049   1.363     6.195   95.238   69.630
LGA    I    36_B      I    36_A     0.227     0    0.032   0.160     1.066  100.000   97.679
LGA    L    37_B      L    37_A     0.279     0    0.053   0.095     1.469   95.238   91.726
LGA    D    38_B      D    38_A     0.937     0    0.047   0.071     1.404   88.214   84.821
LGA    L    39_B      L    39_A     0.996     0    0.028   1.059     3.288   88.214   78.750
LGA    Y    40_B      Y    40_A     0.731     0    0.086   0.305     2.069   90.476   82.421
LGA    G    41_B      G    41_A     0.367     0    0.055   0.055     0.537   95.238   95.238
LGA    P    42_B      P    42_A     0.628     0    0.032   0.179     1.005   92.857   90.544
LGA    G    43_B      G    43_A     0.884     0    0.069   0.069     1.259   88.214   88.214
LGA    G    44_B      G    44_A     1.052     0    0.044   0.044     1.423   83.690   83.690
LGA    K    45_B      K    45_A     2.028     0    0.092   0.653     4.007   66.786   56.984
LGA    I    46_B      I    46_A     2.071     0    0.086   1.187     5.174   68.810   56.845
LGA    T    47_B      T    47_A     1.437     0    0.071   0.958     3.136   81.429   73.469
LGA    E    48_B      E    48_A     1.056     0    0.147   0.707     3.301   85.952   71.058
LGA    N    49_B      N    49_A     1.186     0    0.128   0.920     4.778   79.286   65.417
LGA    L    50_B      L    50_A     0.880     0    0.053   0.090     0.994   90.476   90.476
LGA    K    51_B      K    51_A     0.678     0    0.140   0.466     3.080   88.214   75.450
LGA    N    52_B      N    52_A     1.336     0    0.245   0.988     4.643   75.357   64.107
LGA    R    53_B      R    53_A     0.680     0    0.017   0.238     1.313   90.476   90.519
LGA    T    54_B      T    54_A     0.754     0    0.072   0.965     2.706   90.476   80.952
LGA    Q    55_B      Q    55_A     0.711     0    0.035   0.908     2.402   90.476   79.947
LGA    V    56_B      V    56_A     1.018     0    0.046   0.954     2.605   85.952   80.612
LGA    Q    57_B      Q    57_A     0.911     0    0.023   1.062     2.474   88.214   84.815
LGA    L    58_B      L    58_A     0.817     0    0.030   1.126     2.839   90.476   84.286
LGA    K    59_B      K    59_A     1.094     0    0.068   1.298     6.752   83.690   65.079
LGA    D    60_B      D    60_A     1.183     0    0.047   0.137     1.707   81.429   78.214
LGA    K    61_B      K    61_A     1.123     0    0.019   0.352     1.909   81.429   79.524
LGA    A    62_B      A    62_A     0.880     0    0.034   0.054     0.969   90.476   90.476
LGA    R    63_B      R    63_A     1.025     0    0.050   0.668     4.383   83.690   64.026
LGA    N    64_B      N    64_A     1.086     0    0.515   0.840     3.255   73.571   76.726
LGA    W    65_B      W    65_A     0.842     0    0.037   1.396     4.998   83.810   66.361
LGA    K    66_B      K    66_A     1.685     0    0.032   0.754     5.829   72.976   60.635
LGA    L    67_B      L    67_A     2.036     0    0.080   0.155     2.712   66.786   63.869
LGA    Q    68_B      Q    68_A     1.938     0    0.613   0.885     2.784   66.905   67.566
LGA    Y    69_B      Y    69_A     3.254     0    0.048   1.549     5.710   48.333   53.095
LGA    L    70_B      L    70_A     3.487     0    0.046   1.455     5.745   45.119   40.774
LGA    K    71_B      K    71_A     3.695     0    0.517   1.628     5.685   36.310   40.582
LGA    S    72_B      S    72_A     5.951     0    0.713   0.613     9.053   14.762   17.937
LGA    G    73_B      G    73_A    12.669     0    0.716   0.716    15.335    0.000    0.000
LGA    K    74_B      K    74_A    15.086     0    0.087   1.007    19.777    0.000    0.000
LGA    P    75_B      P    75_A    16.017     0    0.055   0.245    18.532    0.000    0.000
LGA    L    76_B      L    76_A    13.383     0    0.126   1.179    14.372    0.000    0.000
LGA    P    77_B      P    77_A    12.115     0    0.069   0.245    12.151    0.000    0.000
LGA    D    78_B      D    78_A    13.126     0    0.041   0.838    14.299    0.000    0.000
LGA    Y    79_B      Y    79_A    10.699     0    0.241   1.180    11.345    0.476    8.175
LGA    L    80_B      L    80_A     9.541     0    0.195   0.197    10.047    0.595    1.369
LGA    I    81_B      I    81_A    11.649     0    0.028   1.570    15.999    0.000    0.000
LGA    K    82_B      K    82_A    12.085     0    0.326   0.745    18.403    0.000    0.000
LGA    V    83_B      V    83_A     9.012     0    0.164   1.042     9.631    1.310    8.776
LGA    T    84_B      T    84_A    13.364     0    0.199   1.174    15.306    0.000    0.000
LGA    G    85_B      G    85_A    14.241     0    0.508   0.508    14.241    0.000    0.000
LGA    N    86_B      N    86_A    12.467     0    0.260   0.390    14.164    0.000    0.000
LGA    L    87_B      L    87_A    15.772     0    0.144   1.080    17.180    0.000    0.000
LGA    E    88_B      E    88_A    15.074     0    0.059   1.262    18.007    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     6.290          6.210                  6.948           60.716   56.018

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     62    1.51    70.783    69.967     3.840

LGA_LOCAL      RMSD:   1.515  Number of atoms:   62  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.941  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   6.290  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.328774 * X  +  -0.422386 * Y  +  -0.844688 * Z  +  67.486488
  Y_new =  -0.696020 * X  +  -0.496165 * Y  +   0.519015 * Z  +  52.069504
  Z_new =  -0.638329 * X  +   0.758558 * Y  +  -0.130863 * Z  + -29.762865 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.012090  0.692326  1.741630   [DEG: -115.2843   39.6673   99.7881 ]
ZXZ: -2.121770  1.702036 -0.699540   [DEG: -121.5685   97.5195  -40.0807 ]
 
# END of job
