
#######################################################
#                                                     #
#                        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        4.59    15.65
  LCS_AVERAGE:     82.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.63    16.10
  LCS_AVERAGE:     73.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      15_A - 51_A        0.90    16.13
  LCS_AVERAGE:     31.87

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     37   74   78      5   10   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    16_A     L    16_A     37   74   78      5   45   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    17_A     I    17_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    18_A     I    18_A     37   74   78     23   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    19_A     K    19_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    20_A     A    20_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    22_A     L    22_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    23_A     G    23_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    24_A     E    24_A     37   74   78     22   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    25_A     D    25_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    26_A     I    26_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    27_A     R    27_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    28_A     R    28_A     37   74   78     21   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    29_A     I    29_A     37   74   78     24   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     P    30_A     P    30_A     37   74   78     18   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    31_A     I    31_A     37   74   78      9   44   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     H    32_A     H    32_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     N    33_A     N    33_A     37   74   78      6   27   60   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    34_A     E    34_A     37   74   78      7   46   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    35_A     D    35_A     37   74   78     11   36   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    36_A     I    36_A     37   74   78     13   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    37_A     T    37_A     37   74   78     14   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     37   74   78      9   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    39_A     D    39_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    40_A     E    40_A     37   74   78     15   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    41_A     L    41_A     37   74   78     14   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    42_A     V    42_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    43_A     L    43_A     37   74   78     13   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     M    44_A     M    44_A     37   74   78     13   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     M    45_A     M    45_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     37   74   78     13   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    47_A     R    47_A     37   74   78     11   40   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    48_A     V    48_A     37   74   78     19   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    49_A     F    49_A     37   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    50_A     R    50_A     37   74   78     14   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    51_A     G    51_A     37   74   78      4    5   48   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    52_A     K    52_A     10   74   78      3   15   31   58   67   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    53_A     L    53_A     11   74   78      5   31   60   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    54_A     L    54_A     11   74   78      5   13   42   65   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    55_A     S    55_A     11   74   78      5    9   21   39   70   71   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     N    56_A     N    56_A     11   74   78      5   13   36   65   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    57_A     D    57_A     29   74   78      6   30   60   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    58_A     E    58_A     29   74   78     14   50   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    59_A     V    59_A     29   74   78     13   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    60_A     T    60_A     29   74   78     22   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    61_A     I    61_A     29   74   78     12   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    62_A     K    62_A     29   74   78      9   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     29   74   78     22   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    64_A     K    64_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    65_A     A    65_A     29   74   78     22   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    66_A     E    66_A     29   74   78      3   36   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    67_A     R    67_A     29   74   78      6   10   16   65   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    68_A     G    68_A     29   74   78      6   10   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    69_A     D    69_A     29   74   78      9   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    70_A     L    70_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    71_A     I    71_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    72_A     T    72_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    73_A     I    73_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    74_A     F    74_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    75_A     D    75_A     29   74   78     25   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    78_A     D    78_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    79_A     L    79_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    80_A     S    80_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    81_A     F    81_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    82_A     A    82_A     29   74   78     12   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    83_A     I    83_A     29   74   78      9   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     29   74   78     26   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     C    85_A     C    85_A     29   74   78     13   51   61   66   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    86_A     S    86_A     29   74   78      3    4   13   60   70   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    87_A     R    87_A     10   74   78      3    5    7   51   67   72   73   73   73   73   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    88_A     I    88_A     10   74   78      4    8    9   10   12   19   28   35   55   70   74   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    89_A     L    89_A     10   11   78      5    8    9   10   10   10   10   11   11   14   16   20   27   38   45   63   75   75   75   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      5    8    9   10   10   10   10   11   11   15   16   20   27   32   36   45   57   69   73   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      5    8    9   10   10   10   10   11   11   14   15   17   18   19   22   23   23   25   26   30 
LCS_GDT     T    92_A     T    92_A     10   11   78      5    8    9   10   10   10   10   11   11   14   15   17   18   19   22   23   23   25   26   28 
LCS_GDT     L    93_A     L    93_A     10   11   18      5    8    9   10   10   10   10   11   11   14   15   17   18   19   22   23   23   25   26   27 
LCS_GDT     F    94_A     F    94_A     10   11   18      4    8    9   10   10   10   10   11   11   13   14   17   18   19   22   23   23   25   26   27 
LCS_GDT     V    95_A     V    95_A     10   11   18      4    8    9   10   10   10   10   11   11   13   15   17   18   19   22   23   23   25   26   27 
LCS_GDT     N    96_A     N    96_A     10   11   18      4    8    9   10   10   10   10   11   11   13   14   15   17   18   18   19   20   21   23   26 
LCS_GDT     G    97_A     G    97_A      3   11   18      0    3    3    5    5   10   10   11   11   14   15   17   18   19   22   23   23   25   26   27 
LCS_GDT     Q    98_A     Q    98_A      4    5   18      2    4    4    5    5    6    6    8   11   14   15   17   18   19   22   23   23   25   26   27 
LCS_GDT     P    99_A     P    99_A      4    5   18      3    4    4    5    5    6    6    6    8   11   13   15   18   19   22   23   23   25   26   27 
LCS_GDT     R   100_A     R   100_A      4    5   18      3    4    4    5    5    6    6    7   10   13   13   15   17   18   20   23   23   23   25   27 
LCS_GDT     P   101_A     P   101_A      4    5   18      3    4    4    5    5    5    5    5    6    8   12   14   17   18   20   23   23   23   25   27 
LCS_AVERAGE  LCS_A:  62.77  (  31.87   73.92   82.52 )

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     51     61     66     70     72     73     73     73     73     74     74     74     74     74     74     75     75     75     76 
GDT PERCENT_AT  29.89  58.62  70.11  75.86  80.46  82.76  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  86.21  87.36
GDT RMS_LOCAL    0.36   0.62   0.80   0.95   1.19   1.30   1.35   1.35   1.35   1.35   1.63   1.63   1.63   1.63   1.63   1.63   2.15   2.15   2.15   2.71
GDT RMS_ALL_AT  16.24  16.24  16.27  16.22  16.18  16.14  16.13  16.13  16.13  16.13  16.10  16.10  16.10  16.10  16.10  16.10  16.04  16.04  16.04  15.95

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.755     0    0.493   1.264     4.572   73.690   61.164
LGA    L    16_A      L    16_A     1.289     0    0.061   1.031     3.462   77.143   70.119
LGA    I    17_A      I    17_A     0.514     0    0.028   1.717     4.730   90.476   76.012
LGA    I    18_A      I    18_A     0.788     0    0.035   1.278     2.977   95.238   82.143
LGA    K    19_A      K    19_A     0.247     0    0.096   0.902     3.677  100.000   82.011
LGA    A    20_A      A    20_A     0.257     0    0.068   0.067     0.501   97.619   98.095
LGA    Q    21_A      Q    21_A     0.639     0    0.059   0.815     2.775   90.595   76.561
LGA    L    22_A      L    22_A     0.567     0    0.074   1.008     4.238   90.476   78.393
LGA    G    23_A      G    23_A     0.240     0    0.044   0.044     0.420  100.000  100.000
LGA    E    24_A      E    24_A     0.235     0    0.430   1.012     5.244   88.810   68.783
LGA    D    25_A      D    25_A     0.693     0    0.044   0.824     3.587   90.476   76.310
LGA    I    26_A      I    26_A     1.036     0    0.025   0.634     1.571   88.214   84.881
LGA    R    27_A      R    27_A     0.935     0    0.077   1.449     7.393   88.214   64.113
LGA    R    28_A      R    28_A     0.539     0    0.086   0.975     2.523   97.619   84.459
LGA    I    29_A      I    29_A     0.476     0    0.089   0.554     2.726   95.238   89.881
LGA    P    30_A      P    30_A     0.929     0    0.101   0.445     1.658   83.810   84.082
LGA    I    31_A      I    31_A     1.286     0    0.133   0.635     3.938   81.429   73.512
LGA    H    32_A      H    32_A     0.495     0    0.039   1.120     6.289   92.857   66.619
LGA    N    33_A      N    33_A     1.461     0    0.155   0.954     5.844   85.952   62.679
LGA    E    34_A      E    34_A     1.358     0    0.111   0.344     5.043   79.286   58.519
LGA    D    35_A      D    35_A     1.758     0    0.294   1.193     3.342   71.548   70.298
LGA    I    36_A      I    36_A     0.982     0    0.165   1.208     4.011   83.690   71.190
LGA    T    37_A      T    37_A     1.030     0    0.044   1.073     3.286   81.429   77.007
LGA    Y    38_A      Y    38_A     1.123     0    0.043   1.363     6.892   83.690   63.532
LGA    D    39_A      D    39_A     0.673     0    0.042   0.231     1.111   90.476   90.536
LGA    E    40_A      E    40_A     0.921     0    0.047   0.916     5.130   90.476   71.587
LGA    L    41_A      L    41_A     0.886     0    0.010   0.126     1.652   90.476   86.012
LGA    V    42_A      V    42_A     0.485     0    0.029   0.102     0.826   92.857   93.197
LGA    L    43_A      L    43_A     1.239     0    0.032   0.249     2.004   83.690   78.333
LGA    M    44_A      M    44_A     1.054     0    0.073   1.261     5.769   83.690   66.488
LGA    M    45_A      M    45_A     0.581     0    0.043   1.399     6.499   90.476   72.202
LGA    Q    46_A      Q    46_A     1.249     0    0.076   0.242     1.872   83.690   80.529
LGA    R    47_A      R    47_A     1.616     0    0.053   1.447     3.324   79.286   71.861
LGA    V    48_A      V    48_A     0.815     0    0.115   1.199     2.522   88.214   80.748
LGA    F    49_A      F    49_A     0.953     0    0.359   0.434     3.258   75.952   84.372
LGA    R    50_A      R    50_A     1.137     0    0.404   1.449     7.809   77.619   54.156
LGA    G    51_A      G    51_A     1.933     0    0.752   0.752     3.209   69.286   69.286
LGA    K    52_A      K    52_A     3.538     0    0.360   1.919     9.282   53.810   30.582
LGA    L    53_A      L    53_A     1.620     0    0.214   0.256     3.361   65.119   74.464
LGA    L    54_A      L    54_A     2.742     0    0.018   1.413     6.919   60.952   43.750
LGA    S    55_A      S    55_A     3.434     0    0.059   0.581     6.578   51.786   42.937
LGA    N    56_A      N    56_A     2.925     0    0.245   1.026     6.272   53.571   43.929
LGA    D    57_A      D    57_A     1.667     0    0.055   0.258     3.423   75.119   70.179
LGA    E    58_A      E    58_A     0.581     0    0.072   0.571     1.888   95.238   90.635
LGA    V    59_A      V    59_A     0.877     0    0.098   0.103     1.613   88.214   85.374
LGA    T    60_A      T    60_A     0.931     0    0.079   0.964     2.535   83.810   78.231
LGA    I    61_A      I    61_A     1.317     0    0.087   0.579     2.506   81.429   76.250
LGA    K    62_A      K    62_A     1.419     0    0.104   0.511     1.973   79.286   84.762
LGA    Y    63_A      Y    63_A     0.857     0    0.066   0.253     1.404   95.238   86.032
LGA    K    64_A      K    64_A     0.217     0    0.119   0.958     6.162   97.619   70.635
LGA    A    65_A      A    65_A     0.500     0    0.044   0.054     1.288   90.714   90.667
LGA    E    66_A      E    66_A     1.678     0    0.596   0.955     3.747   69.286   61.164
LGA    R    67_A      R    67_A     2.738     0    0.399   1.084    11.247   62.857   34.372
LGA    G    68_A      G    68_A     1.818     0    0.117   0.117     2.035   70.833   70.833
LGA    D    69_A      D    69_A     1.176     0    0.090   1.008     2.042   85.952   80.595
LGA    L    70_A      L    70_A     0.601     0    0.077   1.169     3.746   90.476   81.190
LGA    I    71_A      I    71_A     0.812     0    0.072   1.027     2.969   88.214   77.798
LGA    T    72_A      T    72_A     0.956     0    0.088   1.176     3.002   90.476   80.884
LGA    I    73_A      I    73_A     0.675     0    0.038   0.072     0.765   90.476   94.048
LGA    F    74_A      F    74_A     0.724     0    0.061   0.319     2.133   90.476   80.952
LGA    D    75_A      D    75_A     0.725     0    0.034   0.215     1.354   90.476   89.345
LGA    S    76_A      S    76_A     0.695     0    0.063   0.076     0.912   90.476   90.476
LGA    S    77_A      S    77_A     0.834     0    0.054   0.699     2.086   90.476   84.683
LGA    D    78_A      D    78_A     0.635     0    0.036   0.064     0.958   95.238   92.857
LGA    L    79_A      L    79_A     0.310     0    0.030   1.370     3.308  100.000   85.000
LGA    S    80_A      S    80_A     0.177     0    0.055   0.674     2.266  100.000   94.127
LGA    F    81_A      F    81_A     0.408     0    0.059   0.221     1.180  100.000   94.026
LGA    A    82_A      A    82_A     0.782     0    0.007   0.039     1.150   92.857   90.571
LGA    I    83_A      I    83_A     0.878     0    0.045   1.426     4.567   90.476   73.869
LGA    Q    84_A      Q    84_A     0.455     0    0.056   1.391     6.317  100.000   72.487
LGA    C    85_A      C    85_A     0.825     0    0.589   0.522     2.958   79.881   76.190
LGA    S    86_A      S    86_A     2.462     0    0.609   0.814     5.430   77.381   60.317
LGA    R    87_A      R    87_A     3.701     0    0.371   1.317    13.555   36.905   15.974
LGA    I    88_A      I    88_A     8.104     0    0.092   0.620    11.832    9.762    5.298
LGA    L    89_A      L    89_A    12.448     0    0.042   0.166    18.732    0.000    0.000
LGA    K    90_A      K    90_A    14.886     0    0.044   1.189    17.166    0.000    2.222
LGA    L    91_A      L    91_A    21.945     0    0.041   0.089    25.348    0.000    0.000
LGA    T    92_A      T    92_A    26.187     0    0.058   1.050    29.517    0.000    0.000
LGA    L    93_A      L    93_A    33.585     0    0.072   0.116    35.803    0.000    0.000
LGA    F    94_A      F    94_A    38.324     0    0.065   1.347    41.809    0.000    0.000
LGA    V    95_A      V    95_A    45.577     0    0.044   0.090    49.699    0.000    0.000
LGA    N    96_A      N    96_A    50.261     0    0.371   0.844    53.451    0.000    0.000
LGA    G    97_A      G    97_A    51.306     0    0.723   0.723    51.306    0.000    0.000
LGA    Q    98_A      Q    98_A    52.670     0    0.578   1.037    59.315    0.000    0.000
LGA    P    99_A      P    99_A    48.511     0    0.088   0.075    49.762    0.000    0.000
LGA    R   100_A      R   100_A    50.799     0    0.491   1.312    55.082    0.000    0.000
LGA    P   101_A      P   101_A    57.994     0    0.075   0.376    61.534    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):    13.922         13.998                 13.898           70.903   62.958

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.35    75.862    77.781     5.024

LGA_LOCAL      RMSD:   1.353  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.134  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  13.922  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.653026 * X  +  -0.663229 * Y  +   0.365628 * Z  +   1.627407
  Y_new =  -0.365155 * X  +   0.147222 * Y  +   0.919232 * Z  + -58.904129
  Z_new =  -0.663490 * X  +  -0.733793 * Y  +  -0.146042 * Z  +  97.077805 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.509859  0.725474 -1.767252   [DEG:  -29.2127   41.5666 -101.2561 ]
ZXZ:  2.763024  1.717362 -2.406466   [DEG:  158.3096   98.3976 -137.8804 ]
 
# END of job
