
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.87    16.48
  LCS_AVERAGE:     82.38

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        1.98    16.96
  LCS_AVERAGE:     72.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      57_A - 79_A        0.91    17.02
  LCS_AVERAGE:     17.85

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     18   73   78      4   12   32   49   60   63   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    16_A     L    16_A     18   73   78      9   41   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    17_A     I    17_A     18   73   78     18   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    18_A     I    18_A     18   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     K    19_A     K    19_A     18   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     A    20_A     A    20_A     18   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     Q    21_A     Q    21_A     18   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    22_A     L    22_A     18   73   78     12   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     G    23_A     G    23_A     18   73   78      3   26   48   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     E    24_A     E    24_A     18   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    25_A     D    25_A     18   73   78      9   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    26_A     I    26_A     18   73   78     12   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     R    27_A     R    27_A     18   73   78      9   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     R    28_A     R    28_A     18   73   78     18   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    29_A     I    29_A     18   73   78     23   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     P    30_A     P    30_A     18   73   78      8   41   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    31_A     I    31_A     18   73   78     12   41   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     H    32_A     H    32_A     18   73   78      8   41   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     N    33_A     N    33_A     18   73   78      6   26   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     E    34_A     E    34_A      3   73   78      3    3    4    5   21   39   60   66   69   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    35_A     D    35_A     16   73   78     11   41   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    36_A     I    36_A     16   73   78      3   38   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     T    37_A     T    37_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     Y    38_A     Y    38_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    39_A     D    39_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     E    40_A     E    40_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    41_A     L    41_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     V    42_A     V    42_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    43_A     L    43_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     M    44_A     M    44_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     M    45_A     M    45_A     16   73   78     18   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     Q    46_A     Q    46_A     16   73   78     17   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     R    47_A     R    47_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     V    48_A     V    48_A     16   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     F    49_A     F    49_A     16   73   78     18   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     R    50_A     R    50_A     16   73   78      4   37   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     G    51_A     G    51_A      4   73   78      3   11   17   45   60   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     K    52_A     K    52_A      4   73   78      3   20   36   52   59   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    53_A     L    53_A     10   73   78      5   16   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    54_A     L    54_A     10   73   78      5    9   14   38   60   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     S    55_A     S    55_A     10   73   78      5    9   14   32   60   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     N    56_A     N    56_A     11   73   78      5   23   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    57_A     D    57_A     23   73   78      7   38   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     E    58_A     E    58_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     V    59_A     V    59_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     T    60_A     T    60_A     23   73   78     12   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    61_A     I    61_A     23   73   78     15   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     K    62_A     K    62_A     23   73   78     20   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     Y    63_A     Y    63_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     K    64_A     K    64_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     A    65_A     A    65_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     E    66_A     E    66_A     23   73   78     16   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     R    67_A     R    67_A     23   73   78      4   19   44   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     G    68_A     G    68_A     23   73   78      9   34   50   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    69_A     D    69_A     23   73   78      6   34   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    70_A     L    70_A     23   73   78     14   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    71_A     I    71_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     T    72_A     T    72_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    73_A     I    73_A     23   73   78     12   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     F    74_A     F    74_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    75_A     D    75_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     S    76_A     S    76_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     S    77_A     S    77_A     23   73   78     23   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     D    78_A     D    78_A     23   73   78     26   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    79_A     L    79_A     23   73   78     16   43   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     S    80_A     S    80_A     14   73   78      4   16   46   53   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     F    81_A     F    81_A      6   73   78      4    6    6    7   20   42   61   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     A    82_A     A    82_A      6   73   78      4    6    6    7   21   28   50   63   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    83_A     I    83_A      6   73   78      4    6    6    7    7   10   35   68   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     Q    84_A     Q    84_A      6   73   78      7   13   40   53   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     C    85_A     C    85_A      6   73   78      4    6   28   49   60   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     S    86_A     S    86_A      3   73   78      3   35   51   58   61   66   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     R    87_A     R    87_A     10   73   78      3    5    7   34   51   63   69   70   70   72   73   73   74   74   74   74   74   74   75   75 
LCS_GDT     I    88_A     I    88_A     10   11   78      5    9    9   10   10   12   20   33   46   60   69   73   74   74   74   74   74   74   75   75 
LCS_GDT     L    89_A     L    89_A     10   11   78      3    9    9   10   10   10   13   14   14   15   16   19   25   38   46   55   69   74   75   75 
LCS_GDT     K    90_A     K    90_A     10   11   78      5    9    9   10   10   10   13   14   14   15   16   16   21   29   38   42   47   58   64   74 
LCS_GDT     L    91_A     L    91_A     10   11   78      4    9    9   10   10   10   13   14   14   15   16   16   18   20   22   22   23   25   27   29 
LCS_GDT     T    92_A     T    92_A     10   11   78      5    9    9   10   10   10   13   14   14   15   16   16   18   20   22   22   23   25   27   29 
LCS_GDT     L    93_A     L    93_A     10   11   18      5    9    9   10   10   10   13   14   14   15   16   16   18   20   22   22   23   25   27   27 
LCS_GDT     F    94_A     F    94_A     10   11   18      5    9    9   10   10   10   13   14   14   15   16   16   18   20   22   22   23   25   27   27 
LCS_GDT     V    95_A     V    95_A     10   11   18      4    9    9   10   10   10   13   14   14   15   16   16   18   20   22   22   23   25   27   27 
LCS_GDT     N    96_A     N    96_A     10   11   18      4    9    9   10   10   10   10   14   14   15   16   16   18   20   22   22   23   23   27   27 
LCS_GDT     G    97_A     G    97_A      5   10   18      5    5    5    5    5    9   13   14   14   15   16   16   18   20   22   22   23   25   27   27 
LCS_GDT     Q    98_A     Q    98_A      5    6   18      5    5    5    5    5    6    6    9   12   13   14   16   17   20   22   22   23   25   27   27 
LCS_GDT     P    99_A     P    99_A      5    6   18      5    5    5    5    5    6    6    6    6    6    6   11   15   20   21   22   22   25   27   27 
LCS_GDT     R   100_A     R   100_A      5    6   17      5    5    5    5    5    6    6    6    6    6    7   14   16   20   21   22   22   23   25   26 
LCS_GDT     P   101_A     P   101_A      5    6    8      5    5    5    5    5    6    6    6    6    6    6    7   12   18   21   22   22   23   24   26 
LCS_AVERAGE  LCS_A:  57.46  (  17.85   72.16   82.38 )

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     26     43     51     58     61     66     69     70     70     72     73     73     74     74     74     74     74     74     75     75 
GDT PERCENT_AT  29.89  49.43  58.62  66.67  70.11  75.86  79.31  80.46  80.46  82.76  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21
GDT RMS_LOCAL    0.38   0.56   0.76   0.98   1.14   1.43   1.60   1.68   1.68   1.88   1.98   1.98   2.18   2.18   2.18   2.18   2.18   2.18   2.60   2.60
GDT RMS_ALL_AT  16.95  16.99  17.04  17.00  16.97  16.92  16.92  16.92  16.92  16.94  16.96  16.96  16.93  16.93  16.93  16.93  16.93  16.93  16.87  16.87

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    78_A      D    78_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     3.317     0    0.487   1.340    10.909   53.571   33.704
LGA    L    16_A      L    16_A     1.848     0    0.096   1.380     3.895   68.810   65.119
LGA    I    17_A      I    17_A     0.794     0    0.131   1.216     2.742   90.595   78.988
LGA    I    18_A      I    18_A     0.428     0    0.052   0.127     0.759   92.857   92.857
LGA    K    19_A      K    19_A     0.494     0    0.067   0.658     2.128   97.619   86.931
LGA    A    20_A      A    20_A     0.396     0    0.092   0.085     0.608  100.000   98.095
LGA    Q    21_A      Q    21_A     0.605     0    0.043   0.375     1.705   90.476   88.519
LGA    L    22_A      L    22_A     1.068     0    0.145   0.160     1.244   83.690   82.560
LGA    G    23_A      G    23_A     1.769     0    0.615   0.615     4.343   64.048   64.048
LGA    E    24_A      E    24_A     0.779     0    0.249   0.866     4.248   86.190   68.148
LGA    D    25_A      D    25_A     1.741     0    0.083   0.266     3.582   79.286   66.548
LGA    I    26_A      I    26_A     1.439     0    0.048   1.140     3.407   72.976   68.155
LGA    R    27_A      R    27_A     1.245     0    0.074   0.981     5.231   88.333   65.887
LGA    R    28_A      R    28_A     0.574     0    0.132   1.389     6.028   90.595   67.056
LGA    I    29_A      I    29_A     0.639     0    0.126   1.403     5.077   88.214   71.845
LGA    P    30_A      P    30_A     1.422     0    0.117   0.583     2.441   79.405   76.667
LGA    I    31_A      I    31_A     1.746     0    0.114   1.367     3.937   72.857   64.464
LGA    H    32_A      H    32_A     1.536     0    0.431   1.155     6.977   67.143   50.238
LGA    N    33_A      N    33_A     1.451     0    0.573   0.960     8.135   69.405   45.536
LGA    E    34_A      E    34_A     5.695     0    0.150   0.450    12.211   29.405   14.021
LGA    D    35_A      D    35_A     2.155     0    0.660   0.796     3.803   63.333   55.893
LGA    I    36_A      I    36_A     1.148     0    0.101   1.267     4.958   83.690   68.393
LGA    T    37_A      T    37_A     0.595     0    0.097   0.088     0.674   92.857   93.197
LGA    Y    38_A      Y    38_A     0.749     0    0.079   0.077     1.123   90.476   88.214
LGA    D    39_A      D    39_A     0.705     0    0.030   0.178     1.083   90.476   89.345
LGA    E    40_A      E    40_A     0.611     0    0.029   0.230     0.874   90.476   91.534
LGA    L    41_A      L    41_A     0.536     0    0.026   0.072     0.590   90.476   91.667
LGA    V    42_A      V    42_A     0.489     0    0.035   0.050     0.822   95.238   93.197
LGA    L    43_A      L    43_A     0.656     0    0.047   0.127     1.016   90.476   89.345
LGA    M    44_A      M    44_A     0.523     0    0.047   0.723     2.257   90.476   82.917
LGA    M    45_A      M    45_A     0.567     0    0.038   0.306     1.236   92.857   90.536
LGA    Q    46_A      Q    46_A     1.024     0    0.071   0.280     1.418   83.690   84.444
LGA    R    47_A      R    47_A     0.855     0    0.040   1.158     3.742   90.476   78.442
LGA    V    48_A      V    48_A     0.656     0    0.096   1.219     3.033   90.476   82.177
LGA    F    49_A      F    49_A     1.064     0    0.157   0.514     2.185   77.381   80.952
LGA    R    50_A      R    50_A     2.240     0    0.537   1.110    11.478   71.190   34.113
LGA    G    51_A      G    51_A     3.471     0    0.209   0.209     5.769   45.357   45.357
LGA    K    52_A      K    52_A     2.977     0    0.184   1.231     5.518   57.262   45.979
LGA    L    53_A      L    53_A     1.834     0    0.572   1.341     3.790   63.452   65.119
LGA    L    54_A      L    54_A     3.399     0    0.086   1.006     5.613   51.786   45.714
LGA    S    55_A      S    55_A     3.506     0    0.066   0.691     6.153   50.238   43.571
LGA    N    56_A      N    56_A     2.113     0    0.186   0.886     3.921   66.905   60.298
LGA    D    57_A      D    57_A     1.125     0    0.075   1.002     3.565   85.952   77.857
LGA    E    58_A      E    58_A     0.116     0    0.050   0.559     1.356  100.000   94.815
LGA    V    59_A      V    59_A     0.459     0    0.082   0.090     1.502   88.571   86.803
LGA    T    60_A      T    60_A     0.998     0    0.095   0.137     1.280   83.690   86.599
LGA    I    61_A      I    61_A     0.901     0    0.051   0.060     1.049   88.214   88.214
LGA    K    62_A      K    62_A     0.657     0    0.096   0.175     1.247   88.214   89.471
LGA    Y    63_A      Y    63_A     0.446     0    0.090   0.219     2.089   97.619   84.802
LGA    K    64_A      K    64_A     0.491     0    0.072   0.813     5.509   95.238   70.370
LGA    A    65_A      A    65_A     0.618     0    0.138   0.207     1.838   86.071   85.143
LGA    E    66_A      E    66_A     0.814     0    0.546   0.939     5.765   80.476   56.561
LGA    R    67_A      R    67_A     2.948     0    0.394   1.628    13.531   62.857   29.177
LGA    G    68_A      G    68_A     2.229     0    0.182   0.182     3.154   61.071   61.071
LGA    D    69_A      D    69_A     1.961     0    0.053   1.047     2.553   79.405   72.143
LGA    L    70_A      L    70_A     0.944     0    0.129   1.400     3.384   88.452   77.857
LGA    I    71_A      I    71_A     0.162     0    0.086   1.179     2.566  100.000   87.857
LGA    T    72_A      T    72_A     0.306     0    0.055   0.089     1.007   92.857   90.544
LGA    I    73_A      I    73_A     0.911     0    0.083   0.227     2.183   90.476   83.929
LGA    F    74_A      F    74_A     0.679     0    0.053   0.098     1.164   90.476   88.009
LGA    D    75_A      D    75_A     0.124     0    0.029   0.253     1.160  100.000   97.679
LGA    S    76_A      S    76_A     0.206     0    0.037   0.689     2.485  100.000   94.127
LGA    S    77_A      S    77_A     0.381     0    0.042   0.161     0.849  100.000   96.825
LGA    D    78_A      D    78_A     0.376     0    0.109   0.206     0.817   97.619   96.429
LGA    L    79_A      L    79_A     0.462     0    0.538   1.264     3.315   90.833   83.333
LGA    S    80_A      S    80_A     2.607     0    0.153   0.577     6.474   71.310   55.635
LGA    F    81_A      F    81_A     4.553     0    0.085   1.184    11.510   43.690   17.532
LGA    A    82_A      A    82_A     5.796     0    0.160   0.161     7.654   24.048   20.667
LGA    I    83_A      I    83_A     5.197     0    0.077   0.125     8.151   30.238   20.536
LGA    Q    84_A      Q    84_A     2.807     0    0.123   1.471    10.271   62.976   34.656
LGA    C    85_A      C    85_A     3.271     0    0.408   0.837     7.786   57.500   43.095
LGA    S    86_A      S    86_A     1.263     0    0.643   0.804     4.089   75.357   68.571
LGA    R    87_A      R    87_A     4.037     0    0.578   1.517    14.632   29.643   12.900
LGA    I    88_A      I    88_A     8.015     0    0.228   1.279    12.695    9.762    5.119
LGA    L    89_A      L    89_A    12.638     0    0.098   1.357    16.305    0.000    0.000
LGA    K    90_A      K    90_A    15.286     0    0.058   0.880    17.481    0.000    0.000
LGA    L    91_A      L    91_A    22.362     0    0.062   0.957    24.257    0.000    0.000
LGA    T    92_A      T    92_A    26.462     0    0.099   0.109    29.758    0.000    0.000
LGA    L    93_A      L    93_A    33.842     0    0.110   0.128    35.701    0.000    0.000
LGA    F    94_A      F    94_A    39.046     0    0.124   0.146    42.749    0.000    0.000
LGA    V    95_A      V    95_A    46.152     0    0.080   1.102    48.109    0.000    0.000
LGA    N    96_A      N    96_A    51.880     0    0.469   1.313    54.660    0.000    0.000
LGA    G    97_A      G    97_A    52.754     0    0.680   0.680    52.754    0.000    0.000
LGA    Q    98_A      Q    98_A    54.246     0    0.051   1.273    58.776    0.000    0.000
LGA    P    99_A      P    99_A    51.934     0    0.040   0.657    53.576    0.000    0.000
LGA    R   100_A      R   100_A    56.651     0    0.424   0.711    58.338    0.000    0.000
LGA    P   101_A      P   101_A    61.808     0    0.759   1.010    65.623    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    14.721         14.831                 14.876           65.944   58.714

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     70    1.68    70.402    73.238     3.932

LGA_LOCAL      RMSD:   1.680  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.915  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  14.721  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.663556 * X  +  -0.620275 * Y  +   0.418272 * Z  +  -8.997278
  Y_new =  -0.561135 * X  +  -0.042877 * Y  +   0.826613 * Z  + -31.565069
  Z_new =  -0.494794 * X  +  -0.783211 * Y  +  -0.376509 * Z  + 113.314651 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.701962  0.517597 -2.018906   [DEG:  -40.2195   29.6561 -115.6748 ]
ZXZ:  2.673151  1.956822 -2.578154   [DEG:  153.1603  112.1176 -147.7174 ]
 
# END of job
