
#######################################################
#                                                     #
#                        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       9_A - 86_A        4.99     6.92
  LONGEST_CONTINUOUS_SEGMENT:    78      10_A - 87_A        4.96     7.10
  LCS_AVERAGE:     93.48

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      10_A - 70_A        1.87     7.08
  LONGEST_CONTINUOUS_SEGMENT:    61      11_A - 71_A        2.00     6.99
  LCS_AVERAGE:     58.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      13_A - 64_A        0.97     7.44
  LONGEST_CONTINUOUS_SEGMENT:    52      14_A - 65_A        0.97     7.39
  LONGEST_CONTINUOUS_SEGMENT:    52      17_A - 68_A        1.00     7.30
  LCS_AVERAGE:     45.81

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    6   68      4    4    4    5    5    7    7   12   13   13   15   17   18   19   22   22   23   58   61   63 
LCS_GDT     K     7_B     K     7_A      4    6   68      4    4    4    5    5    7    9   21   21   27   35   40   61   62   63   66   67   67   69   69 
LCS_GDT     P     8_B     P     8_A      4    6   71      4    4    4    6   11   19   36   49   59   60   61   62   62   65   66   66   67   71   72   72 
LCS_GDT     K     9_B     K     9_A      4   56   78      4    4    4    5   17   28   40   52   59   60   61   62   63   65   66   67   68   71   72   73 
LCS_GDT     A    10_B     A    10_A      7   61   78      3    6    7   20   35   53   57   59   60   60   61   62   64   67   69   70   73   73   74   74 
LCS_GDT     K    11_B     K    11_A     35   61   78      9   18   40   53   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     R    12_B     R    12_A     37   61   78      9   18   40   53   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     T    13_B     T    13_A     52   61   78      9   30   47   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     W    14_B     W    14_A     52   61   78      7   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     S    15_B     S    15_A     52   61   78     10   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    16_B     K    16_A     52   61   78      9   38   50   56   58   59   59   59   60   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    17_B     E    17_A     52   61   78     18   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    18_B     E    18_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    19_B     E    19_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    20_B     E    20_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     A    21_B     A    21_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    22_B     L    22_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     V    23_B     V    23_A     52   61   78      9   18   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    24_B     E    24_A     52   61   78      7   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     G    25_B     G    25_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    26_B     L    26_A     52   61   78      9   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    27_B     K    27_A     52   61   78      7   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    28_B     E    28_A     52   61   78     10   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     V    29_B     V    29_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     G    30_B     G    30_A     52   61   78      3   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     P    31_B     P    31_A     52   61   78     10   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     S    32_B     S    32_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     W    33_B     W    33_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     S    34_B     S    34_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    35_B     K    35_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     I    36_B     I    36_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    37_B     L    37_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     D    38_B     D    38_A     52   61   78     13   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    39_B     L    39_A     52   61   78     13   36   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     Y    40_B     Y    40_A     52   61   78     14   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     G    41_B     G    41_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     P    42_B     P    42_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     G    43_B     G    43_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     G    44_B     G    44_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    45_B     K    45_A     52   61   78     13   28   46   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     I    46_B     I    46_A     52   61   78     13   27   44   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     T    47_B     T    47_A     52   61   78     13   35   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     E    48_B     E    48_A     52   61   78     14   35   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     N    49_B     N    49_A     52   61   78     13   32   46   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    50_B     L    50_A     52   61   78     14   35   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    51_B     K    51_A     52   61   78     13   35   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     N    52_B     N    52_A     52   61   78     13   34   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     R    53_B     R    53_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     T    54_B     T    54_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     Q    55_B     Q    55_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     V    56_B     V    56_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     Q    57_B     Q    57_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    58_B     L    58_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    59_B     K    59_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     D    60_B     D    60_A     52   61   78     19   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    61_B     K    61_A     52   61   78     20   38   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     A    62_B     A    62_A     52   61   78     13   36   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     R    63_B     R    63_A     52   61   78     10   35   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     N    64_B     N    64_A     52   61   78      8   36   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     W    65_B     W    65_A     52   61   78      5   32   48   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    66_B     K    66_A     52   61   78     11   32   48   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    67_B     L    67_A     52   61   78      6   33   50   56   58   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     Q    68_B     Q    68_A     52   61   78     14   36   50   56   58   59   59   59   60   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     Y    69_B     Y    69_A     43   61   78     12   32   44   54   57   59   59   59   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    70_B     L    70_A      4   61   78      3    4    9   17   30   40   52   57   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    71_B     K    71_A      4   61   78      1    3    4    4    7   20   25   47   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     S    72_B     S    72_A      3    9   78      3    3    7    9   14   20   34   43   51   59   62   65   68   70   72   72   73   74   75   75 
LCS_GDT     G    73_B     G    73_A      7   12   78      4    6    8    9   11   12   14   18   19   26   28   30   33   42   51   56   62   68   71   73 
LCS_GDT     K    74_B     K    74_A      7   12   78      4    6    8    9   12   16   20   23   26   32   35   42   54   57   61   68   70   74   75   75 
LCS_GDT     P    75_B     P    75_A      7   12   78      4    6    8    9   12   18   21   26   31   40   46   51   54   60   66   69   72   74   75   75 
LCS_GDT     L    76_B     L    76_A      7   12   78      4    6    8    9   14   20   27   36   42   48   52   58   63   66   69   72   73   74   75   75 
LCS_GDT     P    77_B     P    77_A      7   12   78      3    6    9   17   24   34   40   45   50   58   62   65   69   71   72   72   73   74   75   75 
LCS_GDT     D    78_B     D    78_A      7   12   78      4    6   11   17   24   34   40   45   50   58   62   65   69   71   72   72   73   74   75   75 
LCS_GDT     Y    79_B     Y    79_A      7   12   78      4    5   11   17   26   34   40   45   54   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     L    80_B     L    80_A      7   12   78      4    5   11   17   24   34   40   46   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     I    81_B     I    81_A      6   12   78      4    6   11   17   24   34   40   45   51   59   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     K    82_B     K    82_A      6   12   78      4    5   11   15   24   31   37   44   48   52   58   63   69   71   72   72   73   74   75   75 
LCS_GDT     V    83_B     V    83_A      6   12   78      4    6   11   17   24   33   40   48   61   63   65   65   69   71   72   72   73   74   75   75 
LCS_GDT     T    84_B     T    84_A      5   12   78      3    4    7   12   14   24   30   37   41   49   53   60   69   71   72   72   73   74   75   75 
LCS_GDT     G    85_B     G    85_A      4    9   78      3    4    5    5   11   19   23   29   32   54   61   62   66   71   72   72   73   74   75   75 
LCS_GDT     N    86_B     N    86_A      4    5   78      3    4    4    4    4    6   18   24   31   54   61   63   66   71   72   72   73   74   75   75 
LCS_GDT     L    87_B     L    87_A      4    5   78      3    4    4    4    4    6    7    9   12   13   14   15   17   17   40   43   54   58   64   64 
LCS_GDT     E    88_B     E    88_A      4    5   71      3    4    4    4    4    6    7    9   12   13   14   15   17   17   18   20   23   54   56   58 
LCS_AVERAGE  LCS_A:  65.95  (  45.81   58.54   93.48 )

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     20     38     50     56     58     59     59     59     61     63     65     65     69     71     72     72     73     74     75     75 
GDT PERCENT_AT  24.10  45.78  60.24  67.47  69.88  71.08  71.08  71.08  73.49  75.90  78.31  78.31  83.13  85.54  86.75  86.75  87.95  89.16  90.36  90.36
GDT RMS_LOCAL    0.36   0.61   0.87   1.06   1.18   1.24   1.24   1.24   2.37   2.36   2.73   2.73   3.37   3.55   3.67   3.67   3.79   4.09   4.33   4.33
GDT RMS_ALL_AT   7.46   7.53   7.35   7.29   7.27   7.23   7.23   7.23   6.87   6.89   6.84   6.84   6.86   6.88   6.92   6.92   6.84   7.03   7.13   7.13

# Checking swapping
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  Y    40_B      Y    40_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    23.267     0    0.653   1.090    31.454    0.000    0.000
LGA    K     7_B      K     7_A    18.422     0    0.032   1.485    20.730    0.000    0.000
LGA    P     8_B      P     8_A    13.356     0    0.044   0.101    14.925    0.000    0.000
LGA    K     9_B      K     9_A    12.236     0    0.150   1.140    15.241    2.143    0.952
LGA    A    10_B      A    10_A     7.293     0    0.080   0.096     9.395    8.333    7.238
LGA    K    11_B      K    11_A     3.070     0    0.059   0.943     4.491   46.667   51.958
LGA    R    12_B      R    12_A     2.688     0    0.134   1.504     5.721   62.976   49.870
LGA    T    13_B      T    13_A     1.972     0    0.077   0.989     4.767   75.119   67.211
LGA    W    14_B      W    14_A     0.661     0    0.122   0.255     1.134   85.952   87.245
LGA    S    15_B      S    15_A     1.105     0    0.057   0.067     1.252   85.952   85.952
LGA    K    16_B      K    16_A     1.228     0    0.047   1.101     3.082   81.429   72.593
LGA    E    17_B      E    17_A     0.887     0    0.023   0.592     3.002   88.214   81.005
LGA    E    18_B      E    18_A     0.325     0    0.032   0.411     1.141   97.619   94.815
LGA    E    19_B      E    19_A     0.720     0    0.025   0.268     1.293   90.476   89.471
LGA    E    20_B      E    20_A     0.919     0    0.055   0.689     3.513   88.214   73.968
LGA    A    21_B      A    21_A     0.600     0    0.053   0.054     0.654   90.476   90.476
LGA    L    22_B      L    22_A     0.714     0    0.069   0.912     2.584   88.214   82.917
LGA    V    23_B      V    23_A     1.528     0    0.032   0.080     2.274   77.143   74.150
LGA    E    24_B      E    24_A     1.224     0    0.030   1.073     2.815   83.690   74.233
LGA    G    25_B      G    25_A     0.444     0    0.052   0.052     0.714   92.857   92.857
LGA    L    26_B      L    26_A     1.256     0    0.029   0.186     2.194   83.690   76.250
LGA    K    27_B      K    27_A     1.510     0    0.174   1.074     4.231   75.119   64.815
LGA    E    28_B      E    28_A     1.063     0    0.076   0.664     5.035   81.548   65.238
LGA    V    29_B      V    29_A     0.405     0    0.242   1.185     2.971   90.833   83.401
LGA    G    30_B      G    30_A     0.906     0    0.244   0.244     1.879   83.810   83.810
LGA    P    31_B      P    31_A     0.832     0    0.204   0.467     2.579   90.595   83.197
LGA    S    32_B      S    32_A     0.781     0    0.149   0.725     2.340   90.476   84.683
LGA    W    33_B      W    33_A     0.646     0    0.022   1.281     5.538   90.476   71.259
LGA    S    34_B      S    34_A     0.799     0    0.028   0.094     1.495   90.476   87.460
LGA    K    35_B      K    35_A     0.608     0    0.024   1.289     5.715   90.476   72.381
LGA    I    36_B      I    36_A     0.261     0    0.036   0.204     1.277  100.000   96.488
LGA    L    37_B      L    37_A     0.432     0    0.045   0.093     1.426   95.238   91.726
LGA    D    38_B      D    38_A     1.063     0    0.041   0.124     1.889   83.690   80.417
LGA    L    39_B      L    39_A     1.081     0    0.065   0.090     2.129   88.214   80.595
LGA    Y    40_B      Y    40_A     0.602     0    0.081   0.179     2.756   95.238   80.556
LGA    G    41_B      G    41_A     0.355     0    0.057   0.057     0.509   97.619   97.619
LGA    P    42_B      P    42_A     0.941     0    0.032   0.175     1.082   90.476   89.184
LGA    G    43_B      G    43_A     1.042     0    0.063   0.063     1.215   83.690   83.690
LGA    G    44_B      G    44_A     0.727     0    0.034   0.034     1.037   88.214   88.214
LGA    K    45_B      K    45_A     1.907     0    0.067   0.612     4.540   72.976   58.413
LGA    I    46_B      I    46_A     1.993     0    0.056   0.155     2.999   72.857   65.952
LGA    T    47_B      T    47_A     1.210     0    0.056   0.979     3.349   85.952   73.810
LGA    E    48_B      E    48_A     1.159     0    0.160   0.231     2.167   79.286   78.624
LGA    N    49_B      N    49_A     1.981     0    0.102   1.381     6.046   68.929   54.762
LGA    L    50_B      L    50_A     1.148     0    0.028   0.141     1.627   85.952   83.750
LGA    K    51_B      K    51_A     1.327     0    0.111   1.017     3.037   77.143   66.984
LGA    N    52_B      N    52_A     1.724     0    0.276   1.296     5.812   68.929   58.750
LGA    R    53_B      R    53_A     0.896     0    0.019   0.657     2.397   90.476   84.892
LGA    T    54_B      T    54_A     0.810     0    0.053   1.044     3.156   90.476   81.020
LGA    Q    55_B      Q    55_A     0.473     0    0.024   0.233     1.829   97.619   90.741
LGA    V    56_B      V    56_A     0.571     0    0.045   1.002     2.295   90.476   84.490
LGA    Q    57_B      Q    57_A     0.724     0    0.050   0.925     3.135   90.476   82.963
LGA    L    58_B      L    58_A     0.647     0    0.031   0.156     0.944   90.476   91.667
LGA    K    59_B      K    59_A     0.432     0    0.045   1.130     4.544   97.619   79.947
LGA    D    60_B      D    60_A     0.498     0    0.052   1.150     3.822   97.619   84.821
LGA    K    61_B      K    61_A     0.825     0    0.023   0.715     2.037   90.476   82.646
LGA    A    62_B      A    62_A     0.950     0    0.031   0.029     1.329   88.214   88.667
LGA    R    63_B      R    63_A     0.956     0    0.060   0.929     4.070   83.810   73.074
LGA    N    64_B      N    64_A     0.873     0    0.640   0.702     3.657   74.286   85.952
LGA    W    65_B      W    65_A     1.624     0    0.045   0.653     4.652   75.000   59.354
LGA    K    66_B      K    66_A     1.992     0    0.074   1.033     7.949   70.833   53.069
LGA    L    67_B      L    67_A     1.148     0    0.036   0.120     2.477   85.952   80.595
LGA    Q    68_B      Q    68_A     1.383     0    0.069   1.172     5.249   79.405   62.434
LGA    Y    69_B      Y    69_A     2.884     0    0.195   1.141     6.537   43.571   39.762
LGA    L    70_B      L    70_A     8.882     0    0.552   1.086    12.503    4.167    2.321
LGA    K    71_B      K    71_A    10.245     0    0.634   1.057    11.397    0.833    0.370
LGA    S    72_B      S    72_A    11.243     0    0.729   0.794    14.264    0.000    0.159
LGA    G    73_B      G    73_A    18.150     0    0.595   0.595    20.432    0.000    0.000
LGA    K    74_B      K    74_A    17.822     0    0.076   0.915    22.057    0.000    0.000
LGA    P    75_B      P    75_A    17.668     0    0.070   0.154    19.658    0.000    0.000
LGA    L    76_B      L    76_A    14.574     0    0.097   1.180    15.733    0.000    0.000
LGA    P    77_B      P    77_A    12.414     0    0.102   0.257    12.786    0.000    0.000
LGA    D    78_B      D    78_A    12.509     0    0.243   0.421    16.089    0.000    0.000
LGA    Y    79_B      Y    79_A     9.657     0    0.184   1.187    10.578    2.024    3.413
LGA    L    80_B      L    80_A     8.911     0    0.220   0.955     9.392    2.143    5.595
LGA    I    81_B      I    81_A    10.944     0    0.039   0.178    12.612    0.000    0.000
LGA    K    82_B      K    82_A    11.852     0    0.234   1.061    14.233    0.000    0.000
LGA    V    83_B      V    83_A     8.228     0    0.667   1.220     9.378    5.238   10.816
LGA    T    84_B      T    84_A    10.772     0    0.072   1.092    15.025    0.476    0.272
LGA    G    85_B      G    85_A     8.981     0    0.235   0.235     9.410    7.857    7.857
LGA    N    86_B      N    86_A     7.706     0    0.129   1.130    11.859    3.571   10.238
LGA    L    87_B      L    87_A    13.375     0    0.113   0.657    17.185    0.000    0.000
LGA    E    88_B      E    88_A    15.932     0    0.060   1.043    18.296    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):     6.610          6.543                  7.126           60.367   55.736

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     59    1.24    67.771    67.510     4.413

LGA_LOCAL      RMSD:   1.237  Number of atoms:   59  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.226  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   6.610  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.798429 * X  +  -0.167466 * Y  +  -0.578330 * Z  +  50.724129
  Y_new =  -0.510488 * X  +  -0.321003 * Y  +   0.797721 * Z  +  29.697565
  Z_new =  -0.319237 * X  +   0.932155 * Y  +   0.170809 * Z  + -52.604267 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.572730  0.324924  1.389566   [DEG: -147.4065   18.6168   79.6163 ]
ZXZ: -2.514299  1.399146 -0.329953   [DEG: -144.0587   80.1651  -18.9049 ]
 
# END of job
