
#######################################################
#                                                     #
#                        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        4.53    13.96
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.92    14.38
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.76    14.47
  LCS_AVERAGE:     72.85

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     73   75   78     17   37   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     17   37   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     27   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     47   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     17   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     38   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     38   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     47   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     28   65   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      8   19   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      8   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     73   75   78     39   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     38   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     73   75   78      6   65   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     73   75   78      5   62   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     10   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     46   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     47   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     48   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4    9   14   28   61   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   75   78      7   12   14   14   14   16   26   34   47   64   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   75   78      8   12   14   14   14   14   16   16   16   18   18   20   27   34   42   54   67   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      8   12   14   14   14   14   16   16   16   18   18   20   27   34   39   46   58   68   75   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      8   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   25   28   29   34 
LCS_GDT     T    92_A     T    92_A     14   16   78      8   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   25   28   29   31 
LCS_GDT     L    93_A     L    93_A     14   16   19      8   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   25   28   29   31 
LCS_GDT     F    94_A     F    94_A     14   16   19      8   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   24   28   29   31 
LCS_GDT     V    95_A     V    95_A     14   16   19      8   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   24   26   29   31 
LCS_GDT     N    96_A     N    96_A     14   16   19      7   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   24   25   27   31 
LCS_GDT     G    97_A     G    97_A     14   16   19      8   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   24   26   29   31 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      6   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   25   28   29   31 
LCS_GDT     P    99_A     P    99_A     14   16   19      6   12   14   14   14   14   16   16   16   18   18   20   21   22   23   23   25   28   29   31 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   16   16   16   18   18   20   21   22   23   23   25   28   29   31 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    7    9    9   12   16   16   16   18   18   20   21   22   23   23   25   28   29   31 
LCS_AVERAGE  LCS_A:  77.45  (  72.85   76.85   82.64 )

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     48     66     72     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  55.17  75.86  82.76  82.76  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.27   0.44   0.57   0.57   0.57   0.76   0.76   0.76   0.76   0.76   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.92   1.92   2.54
GDT RMS_ALL_AT  14.49  14.50  14.48  14.48  14.48  14.47  14.47  14.47  14.47  14.47  14.44  14.44  14.44  14.44  14.44  14.44  14.44  14.38  14.38  14.29

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.329     0    0.493   1.337     7.493   73.571   52.857
LGA    L    16_A      L    16_A     1.296     0    0.013   0.093     1.424   85.952   83.690
LGA    I    17_A      I    17_A     0.674     0    0.048   0.623     2.729   92.857   86.369
LGA    I    18_A      I    18_A     0.231     0    0.016   0.182     0.723   97.619   97.619
LGA    K    19_A      K    19_A     0.369     0    0.069   0.300     1.966  100.000   92.804
LGA    A    20_A      A    20_A     0.159     0    0.009   0.029     0.368  100.000  100.000
LGA    Q    21_A      Q    21_A     0.096     0    0.015   0.077     0.485  100.000  100.000
LGA    L    22_A      L    22_A     0.443     0    0.045   0.060     1.017  100.000   94.107
LGA    G    23_A      G    23_A     0.380     0    0.029   0.029     0.400  100.000  100.000
LGA    E    24_A      E    24_A     0.402     0    0.021   0.991     5.273  100.000   77.672
LGA    D    25_A      D    25_A     0.371     0    0.070   0.940     3.785  100.000   80.476
LGA    I    26_A      I    26_A     0.663     0    0.081   0.144     1.269   88.214   89.345
LGA    R    27_A      R    27_A     1.016     0    0.050   1.118     4.154   88.214   80.909
LGA    R    28_A      R    28_A     0.852     0    0.037   0.930     3.610   88.214   75.152
LGA    I    29_A      I    29_A     0.749     0    0.015   0.403     1.011   92.857   90.536
LGA    P    30_A      P    30_A     0.614     0    0.018   0.062     0.994   92.857   91.837
LGA    I    31_A      I    31_A     0.387     0    0.030   0.639     1.628  100.000   91.905
LGA    H    32_A      H    32_A     0.639     0    0.192   1.160     3.094   88.214   82.048
LGA    N    33_A      N    33_A     0.591     0    0.014   0.808     2.801   92.857   81.131
LGA    E    34_A      E    34_A     0.214     0    0.059   0.260     1.191  100.000   95.820
LGA    D    35_A      D    35_A     0.621     0    0.043   1.045     3.738   92.857   77.500
LGA    I    36_A      I    36_A     0.234     0    0.038   0.063     0.766  100.000   96.429
LGA    T    37_A      T    37_A     0.143     0    0.018   0.115     0.415  100.000  100.000
LGA    Y    38_A      Y    38_A     0.150     0    0.018   0.078     0.282  100.000  100.000
LGA    D    39_A      D    39_A     0.169     0    0.031   0.077     0.698  100.000   98.810
LGA    E    40_A      E    40_A     0.209     0    0.015   0.173     0.458  100.000  100.000
LGA    L    41_A      L    41_A     0.094     0    0.029   0.079     0.278  100.000  100.000
LGA    V    42_A      V    42_A     0.065     0    0.031   0.053     0.177  100.000  100.000
LGA    L    43_A      L    43_A     0.190     0    0.032   0.065     0.490  100.000  100.000
LGA    M    44_A      M    44_A     0.133     0    0.052   0.708     2.022  100.000   87.798
LGA    M    45_A      M    45_A     0.059     0    0.038   0.097     0.344  100.000  100.000
LGA    Q    46_A      Q    46_A     0.201     0    0.031   0.246     0.816  100.000   98.942
LGA    R    47_A      R    47_A     0.159     0    0.038   1.283     5.212  100.000   81.169
LGA    V    48_A      V    48_A     0.311     0    0.134   1.262     2.659  100.000   87.483
LGA    F    49_A      F    49_A     0.229     0    0.025   0.073     0.568  100.000   98.268
LGA    R    50_A      R    50_A     0.178     0    0.548   1.335     5.946   85.119   71.082
LGA    G    51_A      G    51_A     1.192     0    0.096   0.096     1.478   85.952   85.952
LGA    K    52_A      K    52_A     0.496     0    0.233   0.776     2.231   92.857   87.672
LGA    L    53_A      L    53_A     1.310     0    0.089   0.088     1.768   79.286   79.286
LGA    L    54_A      L    54_A     1.010     0    0.064   0.123     1.560   85.952   83.750
LGA    S    55_A      S    55_A     0.811     0    0.060   0.627     2.290   90.476   86.190
LGA    N    56_A      N    56_A     0.512     0    0.032   1.206     4.153   92.857   79.762
LGA    D    57_A      D    57_A     0.380     0    0.082   0.111     0.696   95.238   96.429
LGA    E    58_A      E    58_A     0.722     0    0.042   0.511     2.212   95.238   86.720
LGA    V    59_A      V    59_A     0.298     0    0.075   0.095     0.492  100.000  100.000
LGA    T    60_A      T    60_A     0.205     0    0.039   0.257     1.067  100.000   95.986
LGA    I    61_A      I    61_A     0.196     0    0.010   0.124     0.508  100.000   98.810
LGA    K    62_A      K    62_A     0.174     0    0.055   0.155     0.745  100.000   98.942
LGA    Y    63_A      Y    63_A     0.178     0    0.017   0.126     0.736  100.000   96.825
LGA    K    64_A      K    64_A     0.354     0    0.036   0.802     4.590   97.619   77.249
LGA    A    65_A      A    65_A     0.583     0    0.030   0.033     0.755   92.857   92.381
LGA    E    66_A      E    66_A     1.231     0    0.640   0.878     3.401   73.571   76.984
LGA    R    67_A      R    67_A     1.539     0    0.297   1.197    10.093   79.286   42.987
LGA    G    68_A      G    68_A     0.953     0    0.100   0.100     1.165   88.214   88.214
LGA    D    69_A      D    69_A     0.705     0    0.019   1.028     3.502   95.238   81.548
LGA    L    70_A      L    70_A     0.448     0    0.121   0.168     0.998   95.238   96.429
LGA    I    71_A      I    71_A     0.128     0    0.016   0.106     0.298  100.000  100.000
LGA    T    72_A      T    72_A     0.197     0    0.014   0.049     0.357  100.000  100.000
LGA    I    73_A      I    73_A     0.299     0    0.031   0.119     0.543  100.000   97.619
LGA    F    74_A      F    74_A     0.201     0    0.046   1.287     6.014  100.000   69.697
LGA    D    75_A      D    75_A     0.220     0    0.062   0.124     0.500  100.000  100.000
LGA    S    76_A      S    76_A     0.131     0    0.058   0.053     0.338  100.000  100.000
LGA    S    77_A      S    77_A     0.408     0    0.052   0.509     1.069  100.000   95.317
LGA    D    78_A      D    78_A     0.231     0    0.018   0.047     0.477  100.000  100.000
LGA    L    79_A      L    79_A     0.068     0    0.012   0.028     0.275  100.000  100.000
LGA    S    80_A      S    80_A     0.344     0    0.013   0.699     2.320  100.000   94.127
LGA    F    81_A      F    81_A     0.308     0    0.038   0.077     0.785  100.000   94.805
LGA    A    82_A      A    82_A     0.283     0    0.032   0.033     0.560   97.619   98.095
LGA    I    83_A      I    83_A     0.528     0    0.021   0.124     0.906   92.857   91.667
LGA    Q    84_A      Q    84_A     0.571     0    0.029   0.955     5.144   92.857   72.593
LGA    C    85_A      C    85_A     0.460     0    0.156   0.176     1.533   90.833   92.302
LGA    S    86_A      S    86_A     0.593     0    0.592   0.728     4.136   73.095   67.857
LGA    R    87_A      R    87_A     4.256     0    0.465   1.009     8.820   29.524   33.680
LGA    I    88_A      I    88_A     8.390     0    0.136   0.600    10.649    7.976    4.940
LGA    L    89_A      L    89_A    13.001     0    0.053   1.362    17.053    0.000    0.000
LGA    K    90_A      K    90_A    15.010     0    0.043   0.578    17.379    0.000    2.540
LGA    L    91_A      L    91_A    22.223     0    0.033   0.083    25.386    0.000    0.000
LGA    T    92_A      T    92_A    26.567     0    0.045   1.077    29.950    0.000    0.000
LGA    L    93_A      L    93_A    34.068     0    0.079   0.102    36.112    0.000    0.000
LGA    F    94_A      F    94_A    39.259     0    0.016   0.134    42.690    0.000    0.000
LGA    V    95_A      V    95_A    46.455     0    0.013   0.022    50.072    0.000    0.000
LGA    N    96_A      N    96_A    51.972     0    0.024   0.081    56.181    0.000    0.000
LGA    G    97_A      G    97_A    47.024     0    0.017   0.017    48.449    0.000    0.000
LGA    Q    98_A      Q    98_A    43.690     0    0.038   1.047    47.829    0.000    0.000
LGA    P    99_A      P    99_A    36.980     0    0.674   0.621    38.993    0.000    0.000
LGA    R   100_A      R   100_A    40.140     0    0.389   1.384    42.417    0.000    0.000
LGA    P   101_A      P   101_A    43.032     0    0.698   0.588    45.179    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):    12.436         12.462                 12.457           79.127   74.587

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.76    81.897    81.509     8.508

LGA_LOCAL      RMSD:   0.758  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.471  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.436  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.664585 * X  +  -0.550475 * Y  +  -0.505277 * Z  + -12.538718
  Y_new =   0.019473 * X  +   0.688745 * Y  +  -0.724742 * Z  +  12.387946
  Z_new =   0.746959 * X  +   0.471814 * Y  +   0.468448 * Z  +   5.602551 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.029292 -0.843477  0.788977   [DEG:    1.6783  -48.3276   45.2051 ]
ZXZ: -0.608832  1.083262  1.007432   [DEG:  -34.8835   62.0664   57.7216 ]
 
# END of job
