
#######################################################
#                                                     #
#                        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:    81       6_A - 86_A        4.81     6.00
  LCS_AVERAGE:     95.65

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36       9_A - 44_A        1.82     6.89
  LCS_AVERAGE:     30.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      10_A - 42_A        0.97     7.05
  LCS_AVERAGE:     23.78

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   81      0    3    5    6    8   11   11   12   14   15   15   18   28   41   70   75   78   78   80   80 
LCS_GDT     K     7_B     K     7_A      4    7   81      3    3    5    6    8   11   11   12   15   27   41   59   63   70   74   76   78   78   80   80 
LCS_GDT     P     8_B     P     8_A      4   35   81      3    4    5    6    8   21   39   51   58   63   66   71   73   74   75   76   78   78   80   80 
LCS_GDT     K     9_B     K     9_A      4   36   81      3    4    5   12   31   42   52   57   59   63   66   70   73   73   75   76   78   78   80   80 
LCS_GDT     A    10_B     A    10_A     33   36   81      7   24   40   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    11_B     K    11_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     R    12_B     R    12_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     T    13_B     T    13_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     W    14_B     W    14_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     S    15_B     S    15_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    16_B     K    16_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     E    17_B     E    17_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     E    18_B     E    18_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     E    19_B     E    19_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     E    20_B     E    20_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     A    21_B     A    21_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    22_B     L    22_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     V    23_B     V    23_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     E    24_B     E    24_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     G    25_B     G    25_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    26_B     L    26_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    27_B     K    27_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     E    28_B     E    28_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     V    29_B     V    29_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     G    30_B     G    30_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     P    31_B     P    31_A     33   36   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     S    32_B     S    32_A     33   36   81      7   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     W    33_B     W    33_A     33   36   81     24   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     S    34_B     S    34_A     33   36   81     18   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    35_B     K    35_A     33   36   81     18   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     I    36_B     I    36_A     33   36   81     12   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    37_B     L    37_A     33   36   81      8   28   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     D    38_B     D    38_A     33   36   81      7   27   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    39_B     L    39_A     33   36   81     12   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     Y    40_B     Y    40_A     33   36   81      5   17   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     G    41_B     G    41_A     33   36   81      5    8   33   48   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     P    42_B     P    42_A     33   36   81      3    4   21   46   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     G    43_B     G    43_A     31   36   81      3    8   23   42   49   55   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     G    44_B     G    44_A      5   36   81      3    4    9   20   24   33   49   58   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    45_B     K    45_A      5    7   81      3    4    6    7    8   22   26   29   34   39   48   60   69   73   75   76   78   78   80   80 
LCS_GDT     I    46_B     I    46_A      5    7   81      2    4    6    7    8   13   22   28   34   39   44   49   63   72   75   76   78   78   80   80 
LCS_GDT     T    47_B     T    47_A      4   23   81      3    4    5    7   14   17   28   34   40   50   62   70   72   74   75   76   78   78   80   80 
LCS_GDT     E    48_B     E    48_A      4   23   81      4    4    7   16   20   24   28   34   40   50   62   70   72   74   75   76   78   78   80   80 
LCS_GDT     N    49_B     N    49_A      6   23   81      4    7   14   20   26   30   39   53   61   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    50_B     L    50_A      8   23   81      4    6   10   16   27   43   57   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    51_B     K    51_A     19   23   81      4   11   19   27   41   55   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     N    52_B     N    52_A     19   23   81      3   14   25   45   52   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     R    53_B     R    53_A     19   23   81      8   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     T    54_B     T    54_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     Q    55_B     Q    55_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     V    56_B     V    56_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     Q    57_B     Q    57_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    58_B     L    58_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    59_B     K    59_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     D    60_B     D    60_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    61_B     K    61_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     A    62_B     A    62_A     19   23   81     27   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     R    63_B     R    63_A     19   23   81     26   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     N    64_B     N    64_A     19   23   81     18   39   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     W    65_B     W    65_A     19   23   81      9   33   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    66_B     K    66_A     19   23   81      9   36   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    67_B     L    67_A     19   23   81      8   33   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     Q    68_B     Q    68_A     19   23   81      4   21   40   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     Y    69_B     Y    69_A     19   23   81      7   21   40   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    70_B     L    70_A     15   23   81      3    5   10   19   37   49   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    71_B     K    71_A      6   23   81      3    5    8   18   34   39   50   56   61   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     S    72_B     S    72_A      6   23   81      3    5    8   11   23   34   41   54   58   63   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     G    73_B     G    73_A      6   18   81      3    5    8   11   15   22   33   47   56   62   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    74_B     K    74_A      5   15   81      3    5    8   10   15   18   26   37   53   61   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     P    75_B     P    75_A      5   15   81      3    5    8   11   18   28   40   51   58   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    76_B     L    76_A      5   15   81      3    5    7   11   19   32   45   54   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     P    77_B     P    77_A      5   12   81      4   13   43   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     D    78_B     D    78_A      5    9   81      4   18   40   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     Y    79_B     Y    79_A      5    9   81      7   12   44   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     L    80_B     L    80_A      5    9   81      4   24   43   49   54   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     I    81_B     I    81_A      5    9   81      4    5   12   29   52   56   59   60   62   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     K    82_B     K    82_A      5    9   81      4    5    9   12   15   29   43   51   61   64   67   71   73   74   75   76   78   78   80   80 
LCS_GDT     V    83_B     V    83_A      5    9   81      4    5    9   12   22   26   33   43   55   63   66   71   73   74   75   76   78   78   80   80 
LCS_GDT     T    84_B     T    84_A      5    9   81      3    5    9   12   22   24   33   43   52   59   66   68   73   74   75   76   78   78   80   80 
LCS_GDT     G    85_B     G    85_A      4    9   81      3    4    6    7   10   12   15   19   32   41   52   58   65   70   73   76   78   78   80   80 
LCS_GDT     N    86_B     N    86_A      4    5   81      3    4    4    5    5    5    6    8   11   15   17   32   34   49   56   60   65   72   72   73 
LCS_GDT     L    87_B     L    87_A      4    5   14      3    4    4    5    5    5    6    8    9   10   12   13   14   15   18   19   19   20   21   27 
LCS_GDT     E    88_B     E    88_A      4    5   14      3    4    4    5    5    5    5    8    9   10   12   13   13   15   18   19   19   36   39   41 
LCS_AVERAGE  LCS_A:  50.06  (  23.78   30.76   95.65 )

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     39     44     49     54     56     59     60     62     64     67     71     73     74     75     76     78     78     80     80 
GDT PERCENT_AT  32.53  46.99  53.01  59.04  65.06  67.47  71.08  72.29  74.70  77.11  80.72  85.54  87.95  89.16  90.36  91.57  93.98  93.98  96.39  96.39
GDT RMS_LOCAL    0.30   0.53   0.73   0.93   1.15   1.28   1.60   1.70   1.99   2.27   2.68   3.14   3.31   3.55   3.60   3.78   4.15   4.15   4.51   4.51
GDT RMS_ALL_AT   6.97   6.98   6.96   6.93   6.93   6.87   6.83   6.80   6.72   6.71   6.69   6.49   6.43   6.35   6.35   6.30   6.18   6.18   6.08   6.08

# Checking swapping
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    16.086     0    0.131   1.435    21.586    0.000    0.000
LGA    K     7_B      K     7_A    13.885     0    0.339   1.219    16.700    0.000    0.000
LGA    P     8_B      P     8_A     9.387     0    0.075   0.082    12.441    3.929    2.449
LGA    K     9_B      K     9_A     6.025     0    0.118   1.044     7.823   22.500   14.974
LGA    A    10_B      A    10_A     2.514     0    0.025   0.026     3.566   55.595   59.048
LGA    K    11_B      K    11_A     0.799     0    0.062   0.691     5.446   83.810   69.206
LGA    R    12_B      R    12_A     0.612     0    0.082   0.569     3.543   92.857   77.836
LGA    T    13_B      T    13_A     0.809     0    0.034   0.042     1.253   90.476   86.599
LGA    W    14_B      W    14_A     0.695     0    0.029   0.322     1.824   88.214   86.020
LGA    S    15_B      S    15_A     1.334     0    0.018   0.067     1.593   81.429   78.571
LGA    K    16_B      K    16_A     1.734     0    0.053   0.910     4.445   72.857   61.164
LGA    E    17_B      E    17_A     1.802     0    0.040   0.784     2.519   77.143   70.317
LGA    E    18_B      E    18_A     1.030     0    0.041   0.160     1.319   85.952   85.450
LGA    E    19_B      E    19_A     0.911     0    0.086   0.318     2.338   90.476   85.608
LGA    E    20_B      E    20_A     1.093     0    0.102   1.253     5.426   85.952   67.989
LGA    A    21_B      A    21_A     0.669     0    0.030   0.039     0.872   95.238   94.286
LGA    L    22_B      L    22_A     0.289     0    0.075   0.107     0.501   97.619   98.810
LGA    V    23_B      V    23_A     0.601     0    0.034   0.106     0.965   90.476   90.476
LGA    E    24_B      E    24_A     0.671     0    0.035   1.460     5.348   92.857   73.439
LGA    G    25_B      G    25_A     0.464     0    0.051   0.051     0.564   95.238   95.238
LGA    L    26_B      L    26_A     0.847     0    0.093   1.014     3.324   90.476   82.024
LGA    K    27_B      K    27_A     0.763     0    0.061   0.955     3.957   88.214   73.122
LGA    E    28_B      E    28_A     0.820     0    0.087   0.922     4.460   90.476   70.529
LGA    V    29_B      V    29_A     0.340     0    0.102   1.143     2.696  100.000   88.639
LGA    G    30_B      G    30_A     0.642     0    0.140   0.140     0.753   95.238   95.238
LGA    P    31_B      P    31_A     1.432     0    0.247   0.383     1.880   79.286   80.272
LGA    S    32_B      S    32_A     1.343     0    0.050   0.657     3.351   81.429   76.190
LGA    W    33_B      W    33_A     0.586     0    0.039   0.208     1.022   95.238   93.231
LGA    S    34_B      S    34_A     0.700     0    0.062   0.690     1.805   90.476   87.540
LGA    K    35_B      K    35_A     0.696     0    0.038   0.650     2.524   92.857   82.910
LGA    I    36_B      I    36_A     0.672     0    0.025   0.631     1.974   90.595   86.071
LGA    L    37_B      L    37_A     1.258     0    0.152   1.388     3.464   77.262   74.464
LGA    D    38_B      D    38_A     1.657     0    0.023   0.044     2.414   77.143   71.964
LGA    L    39_B      L    39_A     0.860     0    0.042   0.161     1.233   85.952   90.595
LGA    Y    40_B      Y    40_A     1.877     0    0.081   0.254     2.911   70.952   69.563
LGA    G    41_B      G    41_A     2.518     0    0.596   0.596     3.152   59.167   59.167
LGA    P    42_B      P    42_A     2.593     0    0.164   0.274     6.307   57.619   43.605
LGA    G    43_B      G    43_A     3.525     0    0.251   0.251     4.969   46.190   46.190
LGA    G    44_B      G    44_A     6.127     0    0.085   0.085     8.210   16.548   16.548
LGA    K    45_B      K    45_A    11.957     0    0.598   1.014    21.328    0.119    0.053
LGA    I    46_B      I    46_A    13.807     0    0.537   0.532    19.766    0.000    0.000
LGA    T    47_B      T    47_A    10.849     0    0.588   1.455    14.226    0.000    0.000
LGA    E    48_B      E    48_A     9.948     0    0.294   0.319    12.296    2.024    0.899
LGA    N    49_B      N    49_A     7.374     0    0.175   0.282     9.442   14.048    8.631
LGA    L    50_B      L    50_A     4.608     0    0.244   0.283     8.802   38.333   26.012
LGA    K    51_B      K    51_A     4.177     0    0.026   0.593     7.628   40.238   26.561
LGA    N    52_B      N    52_A     2.652     0    0.205   0.910     3.778   63.214   57.560
LGA    R    53_B      R    53_A     0.545     0    0.117   0.301     1.266   88.214   88.009
LGA    T    54_B      T    54_A     0.747     0    0.044   0.091     1.211   90.476   87.891
LGA    Q    55_B      Q    55_A     1.093     0    0.054   0.991     3.777   85.952   78.307
LGA    V    56_B      V    56_A     1.167     0    0.077   0.072     1.546   83.690   81.497
LGA    Q    57_B      Q    57_A     0.606     0    0.024   1.071     3.673   90.476   78.201
LGA    L    58_B      L    58_A     0.523     0    0.030   0.097     1.113   92.857   91.726
LGA    K    59_B      K    59_A     0.996     0    0.043   0.526     2.427   88.214   80.688
LGA    D    60_B      D    60_A     0.919     0    0.040   0.161     1.621   90.476   86.012
LGA    K    61_B      K    61_A     0.776     0    0.032   0.514     1.403   90.476   90.529
LGA    A    62_B      A    62_A     0.694     0    0.018   0.025     0.739   90.476   90.476
LGA    R    63_B      R    63_A     0.612     0    0.030   1.078     4.972   90.476   81.126
LGA    N    64_B      N    64_A     0.703     0    0.016   0.307     1.628   90.476   87.143
LGA    W    65_B      W    65_A     0.992     0    0.029   1.203     4.532   88.214   68.571
LGA    K    66_B      K    66_A     0.676     0    0.025   0.105     1.072   90.476   90.529
LGA    L    67_B      L    67_A     0.971     0    0.023   0.051     1.642   83.810   88.333
LGA    Q    68_B      Q    68_A     1.991     0    0.095   0.159     3.205   67.262   62.540
LGA    Y    69_B      Y    69_A     1.976     0    0.028   1.416     7.819   61.548   51.944
LGA    L    70_B      L    70_A     4.680     0    0.044   1.445     8.737   30.000   20.119
LGA    K    71_B      K    71_A     6.435     0    0.092   1.376     8.696   14.048   29.630
LGA    S    72_B      S    72_A     7.801     0    0.051   0.080     9.905    5.952    7.857
LGA    G    73_B      G    73_A     8.868     0    0.198   0.198    10.255    2.262    2.262
LGA    K    74_B      K    74_A     8.572     0    0.053   0.583    13.634    7.024    3.810
LGA    P    75_B      P    75_A     7.728     0    0.595   0.547    10.279   10.595    6.803
LGA    L    76_B      L    76_A     6.179     0    0.676   1.407     8.957   25.476   16.488
LGA    P    77_B      P    77_A     2.049     0    0.614   0.646     3.543   75.119   70.204
LGA    D    78_B      D    78_A     1.797     0    0.026   0.348     5.836   72.976   56.369
LGA    Y    79_B      Y    79_A     1.468     0    0.188   1.090     6.019   69.405   55.595
LGA    L    80_B      L    80_A     2.161     0    0.184   0.265     3.406   63.333   63.095
LGA    I    81_B      I    81_A     3.050     0    0.017   0.641     5.332   43.095   45.833
LGA    K    82_B      K    82_A     6.805     0    0.248   0.622     8.483   13.571   12.116
LGA    V    83_B      V    83_A     7.468     0    0.092   0.130     8.640   11.905   10.068
LGA    T    84_B      T    84_A     9.178     0    0.511   1.295    12.913    1.071    0.612
LGA    G    85_B      G    85_A    12.263     0    0.572   0.572    14.458    0.000    0.000
LGA    N    86_B      N    86_A    18.336     0    0.140   1.370    21.469    0.000    0.000
LGA    L    87_B      L    87_A    24.787     0    0.058   0.288    28.281    0.000    0.000
LGA    E    88_B      E    88_A    28.485     0    0.066   1.069    33.474    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):     5.915          5.916                  6.533           59.700   55.294

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     60    1.70    67.470    60.068     3.341

LGA_LOCAL      RMSD:   1.696  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.803  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   5.915  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.736118 * X  +   0.497827 * Y  +   0.458583 * Z  + -28.982779
  Y_new =  -0.500674 * X  +   0.856414 * Y  +  -0.126020 * Z  +  25.108641
  Z_new =  -0.455473 * X  +  -0.136835 * Y  +   0.879671 * Z  +  51.417316 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.597282  0.472903 -0.154316   [DEG:  -34.2217   27.0954   -8.8416 ]
ZXZ:  1.302613  0.495627 -1.862642   [DEG:   74.6342   28.3973 -106.7215 ]
 
# END of job
