
#######################################################
#                                                     #
#                        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   90 (  666),  selected   90 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   90 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       5_A - 92_A        4.73     5.60
  LCS_AVERAGE:     94.94

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       9_A - 83_A        1.98     6.96
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        1.90     7.00
  LCS_AVERAGE:     70.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      53_A - 78_A        0.99     7.21
  LCS_AVERAGE:     19.76

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     3_A     M     3_A      3    4   31      3    3    3    3    4    4    4    5    7    8   13   17   20   21   26   27   29   46   51   61 
LCS_GDT     S     4_A     S     4_A      3    4   86      3    3    3    3    4    4    4    8   11   12   13   17   20   23   34   45   50   57   67   76 
LCS_GDT     G     5_A     G     5_A      3    4   88      3    3    3    3    4    8    9   11   11   12   13   18   20   29   39   46   50   57   67   79 
LCS_GDT     D     6_A     D     6_A      3    4   88      1    3    3    4    7    8    9   11   21   26   31   57   63   67   74   79   83   87   87   87 
LCS_GDT     N     7_A     N     7_A      3    4   88      3    3    3    4   11   21   33   52   59   72   77   80   81   82   82   83   84   87   87   87 
LCS_GDT     G     8_A     G     8_A      3   33   88      3    3    5   11   27   41   56   70   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G     9_A     G     9_A      5   75   88      3    5    8   17   31   43   63   71   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    10_A     G    10_A     12   75   88      3    7   17   29   48   66   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    11_A     E    11_A     23   75   88      5   17   28   53   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     R    12_A     R    12_A     23   75   88     10   21   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     R    13_A     R    13_A     23   75   88     14   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     K    14_A     K    14_A     23   75   88     15   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    15_A     G    15_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    16_A     S    16_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     V    17_A     V    17_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     K    18_A     K    18_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     W    19_A     W    19_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     F    20_A     F    20_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    21_A     D    21_A     23   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     T    22_A     T    22_A     23   75   88      6   18   38   54   61   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     Q    23_A     Q    23_A     23   75   88      6   21   42   53   61   66   71   74   75   76   78   80   81   82   82   82   84   87   87   87 
LCS_GDT     K    24_A     K    24_A     23   75   88      6   13   30   48   60   66   71   74   75   76   78   80   81   82   82   82   84   87   87   87 
LCS_GDT     G    25_A     G    25_A     23   75   88      6   17   30   48   59   66   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     F    26_A     F    26_A     23   75   88      6   23   43   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    27_A     G    27_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     F    28_A     F    28_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     I    29_A     I    29_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     T    30_A     T    30_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     P    31_A     P    31_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    32_A     D    32_A     23   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    33_A     D    33_A     23   75   88     11   32   46   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    34_A     G    34_A      9   75   88      4    7    8   19   35   58   66   74   75   76   78   80   80   82   82   83   84   87   87   87 
LCS_GDT     G    35_A     G    35_A     13   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    36_A     D    36_A     13   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    37_A     D    37_A     13   75   88     10   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     L    38_A     L    38_A     13   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     F    39_A     F    39_A     13   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     V    40_A     V    40_A     13   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     H    41_A     H    41_A     13   75   88      7   27   48   57   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     Q    42_A     Q    42_A     13   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    43_A     S    43_A     13   75   88      6   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    44_A     S    44_A     13   75   88      5   26   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     I    45_A     I    45_A     13   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     R    46_A     R    46_A     13   75   88      5   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    47_A     S    47_A     13   75   88     10   30   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    48_A     E    48_A      8   75   88      3   13   23   37   59   67   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    49_A     G    49_A     16   75   88      4   22   42   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     F    50_A     F    50_A     16   75   88      3   16   43   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     R    51_A     R    51_A     16   75   88      9   31   49   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    52_A     S    52_A     16   75   88      7   23   47   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     L    53_A     L    53_A     26   75   88     15   31   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     A    54_A     A    54_A     26   75   88      6   29   49   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     A    55_A     A    55_A     26   75   88      4   23   45   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    56_A     E    56_A     26   75   88      4   28   48   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    57_A     E    57_A     26   75   88     12   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     A    58_A     A    58_A     26   75   88      7   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     V    59_A     V    59_A     26   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    60_A     E    60_A     26   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     F    61_A     F    61_A     26   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    62_A     E    62_A     26   75   88     20   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     V    63_A     V    63_A     26   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     E    64_A     E    64_A     26   75   88     14   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     I    65_A     I    65_A     26   75   88     12   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    66_A     D    66_A     26   75   88     12   34   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     N    67_A     N    67_A     26   75   88     12   27   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     N    68_A     N    68_A     26   75   88     12   27   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     N    69_A     N    69_A     26   75   88     12   36   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     R    70_A     R    70_A     26   75   88     12   36   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     P    71_A     P    71_A     26   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     K    72_A     K    72_A     26   75   88     15   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     A    73_A     A    73_A     26   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     I    74_A     I    74_A     26   75   88     12   34   49   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    75_A     D    75_A     26   75   88     18   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     V    76_A     V    76_A     26   75   88     17   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    77_A     S    77_A     26   75   88      9   37   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    78_A     G    78_A     26   75   88      9   34   50   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     P    79_A     P    79_A     25   75   88      3    4   38   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     D    80_A     D    80_A     25   75   88      4   11   43   58   64   68   71   73   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    81_A     G    81_A     25   75   88      4   11   43   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     A    82_A     A    82_A     24   75   88      4   11   47   58   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     P    83_A     P    83_A     10   75   88      4   12   24   52   64   68   71   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     V    84_A     V    84_A      5   75   88      3    6   10   22   33   63   69   74   75   76   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     Q    85_A     Q    85_A      5   51   88      3    6    8   12   17   27   33   45   67   73   78   80   81   82   82   83   84   87   87   87 
LCS_GDT     G    86_A     G    86_A      5   15   88      3    6    8   14   22   27   35   45   62   73   77   80   81   82   82   83   84   87   87   87 
LCS_GDT     N    87_A     N    87_A      4    7   88      3    4    4    5    7    9   10   13   23   32   38   43   72   72   81   83   84   87   87   87 
LCS_GDT     S    88_A     S    88_A      4    7   88      3    4    4    6   10   14   20   25   30   33   39   52   72   72   81   83   84   87   87   87 
LCS_GDT     G    89_A     G    89_A      4    7   88      3    4    4    6   10   14   18   24   29   32   36   52   65   69   81   83   84   87   87   87 
LCS_GDT     G    90_A     G    90_A      4    7   88      3    4    4    6   10   14   18   21   26   40   42   52   72   72   81   83   84   87   87   87 
LCS_GDT     G    91_A     G    91_A      3    7   88      3    3    9   12   14   21   27   37   51   64   76   80   81   82   82   83   84   87   87   87 
LCS_GDT     S    92_A     S    92_A      3    6   88      3    3    5   12   18   26   39   60   68   74   77   80   81   82   82   83   84   87   87   87 
LCS_AVERAGE  LCS_A:  61.82  (  19.76   70.77   94.94 )

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     37     50     58     64     68     71     74     75     76     78     80     81     82     82     83     84     87     87     87 
GDT PERCENT_AT  21.74  40.22  54.35  63.04  69.57  73.91  77.17  80.43  81.52  82.61  84.78  86.96  88.04  89.13  89.13  90.22  91.30  94.57  94.57  94.57
GDT RMS_LOCAL    0.36   0.60   0.92   1.11   1.35   1.46   1.65   1.88   1.90   2.04   2.36   2.77   3.12   3.16   3.16   3.87   3.73   4.36   4.36   4.36
GDT RMS_ALL_AT   7.54   7.64   7.24   7.22   6.98   7.02   7.10   6.98   7.00   6.92   6.70   6.41   6.13   6.15   6.15   5.83   5.92   5.69   5.69   5.69

# Checking swapping
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     3_A      M     3_A    29.103     0    0.133   1.568    34.349    0.000    0.000
LGA    S     4_A      S     4_A    24.475     0    0.361   0.387    26.490    0.000    0.000
LGA    G     5_A      G     5_A    23.194     0    0.531   0.531    23.667    0.000    0.000
LGA    D     6_A      D     6_A    17.145     0    0.464   0.907    20.250    0.000    0.000
LGA    N     7_A      N     7_A    11.223     0    0.523   1.360    13.375    0.476    0.238
LGA    G     8_A      G     8_A     7.864     0    0.251   0.251     8.926    8.333    8.333
LGA    G     9_A      G     9_A     6.798     0    0.567   0.567     6.845   16.310   16.310
LGA    G    10_A      G    10_A     3.999     0    0.160   0.160     4.473   45.119   45.119
LGA    E    11_A      E    11_A     2.584     0    0.206   0.676     3.081   63.214   73.704
LGA    R    12_A      R    12_A     1.378     0    0.130   0.614     4.414   71.071   57.662
LGA    R    13_A      R    13_A     0.617     0    0.058   1.473     4.414   97.619   79.827
LGA    K    14_A      K    14_A     0.545     0    0.054   0.892     2.782   92.857   84.974
LGA    G    15_A      G    15_A     0.139     0    0.067   0.067     0.432  100.000  100.000
LGA    S    16_A      S    16_A     0.190     0    0.024   0.681     2.273  100.000   94.127
LGA    V    17_A      V    17_A     0.369     0    0.138   0.195     1.102   92.976   91.905
LGA    K    18_A      K    18_A     0.700     0    0.029   0.746     2.617   90.476   83.757
LGA    W    19_A      W    19_A     0.523     0    0.013   0.514     2.293   90.476   85.510
LGA    F    20_A      F    20_A     0.408     0    0.082   0.132     0.792   95.238   95.671
LGA    D    21_A      D    21_A     0.774     0    0.066   0.323     1.961   81.667   80.536
LGA    T    22_A      T    22_A     2.829     0    0.037   1.200     4.770   55.833   48.027
LGA    Q    23_A      Q    23_A     3.357     0    0.062   1.336     4.573   46.905   51.534
LGA    K    24_A      K    24_A     3.823     0    0.105   0.971     4.179   43.452   47.143
LGA    G    25_A      G    25_A     3.768     0    0.072   0.072     3.768   46.667   46.667
LGA    F    26_A      F    26_A     2.067     0    0.019   0.171     2.681   69.048   64.935
LGA    G    27_A      G    27_A     0.407     0    0.073   0.073     0.865   97.619   97.619
LGA    F    28_A      F    28_A     0.394     0    0.025   0.118     1.317  100.000   92.338
LGA    I    29_A      I    29_A     0.275     0    0.016   0.089     0.581  100.000   98.810
LGA    T    30_A      T    30_A     0.400     0    0.063   0.122     0.729  100.000   98.639
LGA    P    31_A      P    31_A     0.571     0    0.052   0.071     0.779   90.476   90.476
LGA    D    32_A      D    32_A     0.537     0    0.054   0.194     0.948   90.476   94.048
LGA    D    33_A      D    33_A     2.074     0    0.106   0.901     5.601   59.881   48.155
LGA    G    34_A      G    34_A     4.645     0    0.684   0.684     4.645   43.690   43.690
LGA    G    35_A      G    35_A     0.656     0    0.398   0.398     2.098   84.048   84.048
LGA    D    36_A      D    36_A     1.412     0    0.046   0.180     1.994   81.429   78.214
LGA    D    37_A      D    37_A     1.340     0    0.097   0.479     2.771   81.429   77.321
LGA    L    38_A      L    38_A     0.860     0    0.057   1.295     2.514   88.214   79.702
LGA    F    39_A      F    39_A     0.880     0    0.044   0.327     2.157   88.214   80.823
LGA    V    40_A      V    40_A     1.033     0    0.012   0.112     1.711   79.405   82.857
LGA    H    41_A      H    41_A     2.349     0    0.155   0.375     5.899   70.833   47.095
LGA    Q    42_A      Q    42_A     1.446     0    0.062   0.861     4.210   81.548   72.857
LGA    S    43_A      S    43_A     1.052     0    0.163   0.584     3.156   81.429   76.190
LGA    S    44_A      S    44_A     1.440     0    0.063   0.077     1.773   79.286   77.143
LGA    I    45_A      I    45_A     0.799     0    0.092   0.693     1.328   90.476   88.214
LGA    R    46_A      R    46_A     1.136     0    0.484   0.781     7.036   81.786   50.693
LGA    S    47_A      S    47_A     1.047     0    0.079   0.682     1.991   79.405   78.651
LGA    E    48_A      E    48_A     3.847     0    0.446   1.179     8.990   41.310   26.402
LGA    G    49_A      G    49_A     2.762     0    0.189   0.189     2.762   62.976   62.976
LGA    F    50_A      F    50_A     3.037     0    0.098   1.002     7.229   50.119   36.623
LGA    R    51_A      R    51_A     1.444     0    0.128   0.841     3.006   77.143   72.424
LGA    S    52_A      S    52_A     1.617     0    0.015   0.062     1.880   79.405   77.222
LGA    L    53_A      L    53_A     1.015     0    0.070   0.238     1.292   81.429   85.952
LGA    A    54_A      A    54_A     1.400     0    0.051   0.100     1.460   83.690   83.238
LGA    A    55_A      A    55_A     1.862     0    0.624   0.608     4.050   61.905   64.095
LGA    E    56_A      E    56_A     1.885     0    0.018   0.211     3.376   72.857   62.593
LGA    E    57_A      E    57_A     1.109     0    0.078   0.946     4.089   81.429   73.968
LGA    A    58_A      A    58_A     1.196     0    0.121   0.152     1.382   83.690   83.238
LGA    V    59_A      V    59_A     0.540     0    0.028   0.098     0.729   90.476   94.558
LGA    E    60_A      E    60_A     0.827     0    0.019   0.599     1.277   88.214   86.455
LGA    F    61_A      F    61_A     1.065     0    0.088   0.158     1.180   83.690   87.186
LGA    E    62_A      E    62_A     0.885     0    0.031   0.973     4.697   88.214   66.561
LGA    V    63_A      V    63_A     1.089     0    0.050   1.205     3.085   81.429   75.714
LGA    E    64_A      E    64_A     1.098     0    0.021   0.382     2.093   81.429   80.582
LGA    I    65_A      I    65_A     1.305     0    0.030   0.509     1.542   81.429   80.357
LGA    D    66_A      D    66_A     1.577     0    0.046   0.280     2.868   77.143   72.024
LGA    N    67_A      N    67_A     1.709     0    0.143   1.211     4.699   72.857   62.202
LGA    N    68_A      N    68_A     1.760     0    0.074   1.061     5.162   75.000   64.226
LGA    N    69_A      N    69_A     1.310     0    0.106   0.581     2.757   79.286   75.179
LGA    R    70_A      R    70_A     1.075     0    0.026   0.135     3.061   81.429   71.126
LGA    P    71_A      P    71_A     0.787     0    0.027   0.068     1.113   88.214   87.891
LGA    K    72_A      K    72_A     0.899     0    0.034   0.202     1.859   90.476   84.497
LGA    A    73_A      A    73_A     0.925     0    0.033   0.039     1.606   83.810   83.333
LGA    I    74_A      I    74_A     1.780     0    0.010   0.619     2.458   75.000   71.905
LGA    D    75_A      D    75_A     1.559     0    0.068   0.607     2.008   77.143   78.333
LGA    V    76_A      V    76_A     1.372     0    0.027   0.042     1.683   79.286   80.204
LGA    S    77_A      S    77_A     1.490     0    0.073   0.154     1.490   81.429   82.937
LGA    G    78_A      G    78_A     1.709     0    0.058   0.058     1.942   72.857   72.857
LGA    P    79_A      P    79_A     2.799     0    0.673   0.684     5.574   46.667   52.245
LGA    D    80_A      D    80_A     3.076     0    0.160   0.242     4.131   50.119   50.238
LGA    G    81_A      G    81_A     3.025     0    0.051   0.051     3.226   53.571   53.571
LGA    A    82_A      A    82_A     2.257     0    0.093   0.132     2.257   66.786   68.000
LGA    P    83_A      P    83_A     3.221     0    0.041   0.057     5.269   50.119   42.177
LGA    V    84_A      V    84_A     4.412     0    0.095   0.116     6.037   31.429   35.714
LGA    Q    85_A      Q    85_A     8.417     0    0.059   0.869    11.761    5.000    2.487
LGA    G    86_A      G    86_A     9.369     0    0.677   0.677    12.121    1.071    1.071
LGA    N    87_A      N    87_A    14.423     0    0.342   0.969    17.389    0.000    0.000
LGA    S    88_A      S    88_A    15.913     0    0.556   0.503    16.432    0.000    0.000
LGA    G    89_A      G    89_A    18.037     0    0.477   0.477    18.037    0.000    0.000
LGA    G    90_A      G    90_A    18.188     0    0.507   0.507    18.204    0.000    0.000
LGA    G    91_A      G    91_A    13.584     0    0.340   0.340    14.995    0.000    0.000
LGA    S    92_A      S    92_A    12.087     0    0.091   0.099    16.486    0.238    0.159

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     666    666  100.00                92
SUMMARY(RMSD_GDC):     5.512          5.394                  5.602           62.686   59.631

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   92    4.0     74    1.88    68.478    72.079     3.740

LGA_LOCAL      RMSD:   1.879  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.983  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   5.512  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.581028 * X  +  -0.250452 * Y  +   0.774390 * Z  +   9.328490
  Y_new =  -0.588986 * X  +   0.786044 * Y  +  -0.187697 * Z  +   3.452090
  Z_new =  -0.561696 * X  +  -0.565162 * Y  +  -0.604226 * Z  +  -0.346420 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.349393  0.596434 -2.389588   [DEG: -134.6103   34.1731 -136.9133 ]
ZXZ:  1.333002  2.219591 -2.359271   [DEG:   76.3754  127.1732 -135.1763 ]
 
# END of job
