
#######################################################
#                                                     #
#                        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   84 (  631),  selected   84 , name one
# Molecule2: number of CA atoms  484 ( 3737),  selected   84 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      30_A - 91_A        4.72    17.69
  LCS_AVERAGE:     10.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      57_A - 86_A        1.95    18.06
  LCS_AVERAGE:      4.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      33_A - 52_A        0.86    18.75
  LONGEST_CONTINUOUS_SEGMENT:    20      63_A - 82_A        0.94    18.57
  LONGEST_CONTINUOUS_SEGMENT:    20      65_A - 84_A        0.99    18.50
  LONGEST_CONTINUOUS_SEGMENT:    20      66_A - 85_A        1.00    18.36
  LCS_AVERAGE:      2.63

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   84
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     I    30_B     I    30_A      4   25   62      3    3   13   29   41   45   47   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     D    31_B     D    31_A      4   25   62      3    3    4   12   18   42   47   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     E    32_B     E    32_A     18   25   62      3    4    9   27   39   45   47   51   54   57   57   57   57   57   57   58   58   60   60   61 
LCS_GDT     A    33_B     A    33_A     20   25   62      5   21   36   42   44   46   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     K    34_B     K    34_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    35_B     C    35_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     I    36_B     I    36_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     G    37_B     G    37_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    38_B     C    38_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     D    39_B     D    39_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     T    40_B     T    40_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    41_B     C    41_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     S    42_B     S    42_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     Q    43_B     Q    43_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     Y    44_B     Y    44_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    45_B     C    45_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     P    46_B     P    46_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     T    47_B     T    47_A     20   25   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     A    48_B     A    48_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     A    49_B     A    49_A     20   25   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     I    50_B     I    50_A     20   25   62      9   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     F    51_B     F    51_A     20   25   62      4   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     G    52_B     G    52_A     20   25   62      4   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     E    53_B     E    53_A      4   25   62      3    3    6   15   27   45   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     M    54_B     M    54_A      4   25   62      3    3    5    9   14   28   44   48   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     G    55_B     G    55_A      4    9   62      3    4    5    6   10   13   24   48   52   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     E    56_B     E    56_A      5    9   62      3    4    5   11   22   45   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     P    57_B     P    57_A      5   30   62      3    4    5   22   42   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     H    58_B     H    58_A      5   30   62      3    4    5   14   27   46   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     S    59_B     S    59_A      5   30   62      3    4    5   26   42   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     I    60_B     I    60_A      5   30   62      3    4    9   15   42   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     P    61_B     P    61_A      8   30   62      3    5    7   11   14   26   39   49   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     H    62_B     H    62_A     14   30   62      3   11   21   39   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     I    63_B     I    63_A     20   30   62      8   19   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     E    64_B     E    64_A     20   30   62      8   19   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     A    65_B     A    65_A     20   30   62      8   31   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    66_B     C    66_A     20   30   62      8   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     I    67_B     I    67_A     20   30   62      9   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     N    68_B     N    68_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    69_B     C    69_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     G    70_B     G    70_A     20   30   62      8   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     Q    71_B     Q    71_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    72_B     C    72_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     L    73_B     L    73_A     20   30   62     11   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     T    74_B     T    74_A     20   30   62      5   27   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     H    75_B     H    75_A     20   30   62      9   27   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     C    76_B     C    76_A     20   30   62      9   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     P    77_B     P    77_A     20   30   62      9   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     E    78_B     E    78_A     20   30   62      9   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     N    79_B     N    79_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     A    80_B     A    80_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     I    81_B     I    81_A     20   30   62     12   33   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     Y    82_B     Y    82_A     20   30   62      6   29   38   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     E    83_B     E    83_A     20   30   62      6   13   33   41   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     A    84_B     A    84_A     20   30   62      4   21   37   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     Q    85_B     Q    85_A     20   30   62      8   27   39   42   44   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     S    86_B     S    86_A      4   30   62      3    4   15   36   43   47   49   51   54   57   57   57   57   57   57   58   59   60   60   61 
LCS_GDT     W    87_B     W    87_A      4    5   62      3    4    5    5    7    8    8   11   12   13   15   15   17   57   57   58   59   60   60   61 
LCS_GDT     V    88_B     V    88_A      4    5   62      3    4    5    5    5    7    8   11   12   13   15   31   45   49   52   58   59   60   60   61 
LCS_GDT     P    89_B     P    89_A      5   10   62      5    5    5    8   10   10   10   11   12   13   15   16   35   43   50   54   59   60   60   61 
LCS_GDT     E    90_B     E    90_A      5   10   62      5    5    5    8   10   10   10   10   11   12   26   34   41   46   51   54   55   57   60   61 
LCS_GDT     V    91_B     V    91_A      5   10   62      5    5    5    7   10   10   10   10   11   11   12   14   15   19   32   40   44   46   48   55 
LCS_GDT     E    92_B     E    92_A      6   10   18      5    6    6    7   10   10   11   11   14   15   16   17   19   20   21   26   33   38   46   47 
LCS_GDT     K    93_B     K    93_A      6   10   18      5    6    6    8   10   10   11   11   14   15   16   17   19   20   21   23   28   34   40   47 
LCS_GDT     K    94_B     K    94_A      6   10   18      4    6    6    8   10   10   11   11   14   15   16   17   19   20   21   22   23   27   31   35 
LCS_GDT     L    95_B     L    95_A      6   10   18      4    6    6    8   10   10   10   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     K    96_B     K    96_A      6   10   18      3    6    6    8   10   10   10   11   12   15   16   17   19   20   21   22   22   24   27   29 
LCS_GDT     D    97_B     D    97_A      6   10   18      3    6    6    8   10   10   10   10   12   13   16   17   19   20   21   22   22   24   27   29 
LCS_GDT     G    98_B     G    98_A      4   10   18      3    4    4    8   10   10   10   11   12   13   15   15   16   17   20   20   22   24   27   28 
LCS_GDT     K    99_B     K    99_A      4    5   18      3    4    4    4    7    8    8   11   12   13   15   15   16   17   18   18   20   23   23   25 
LCS_GDT     V   100_B     V   100_A      4    5   18      3    4    4    4    7    8    8   11   12   13   15   15   16   17   18   18   21   23   23   25 
LCS_GDT     K   101_B     K   101_A      4    5   18      3    3    4    4    7    8    8   11   12   13   16   17   19   20   21   22   22   24   26   29 
LCS_GDT     C   102_B     C   102_A      3    3   18      3    3    3    3    6    9   10   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     I   103_B     I   103_A      3    3   14      3    3    3    6    8    9   10   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     A   104_B     A   104_A      3    3   14      3    3    4    5    8    9   11   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     M   105_B     M   105_A      3    4   14      3    3    4    4    4    7   11   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     P   106_B     P   106_A      4    4   14      3    3    4    4    6    6    9    9   10   14   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     A   107_B     A   107_A      4    4   14      3    3    4    5    6    7   11   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     P   108_B     P   108_A      4    4   14      3    3    4    5    6    7   11   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     A   109_B     A   109_A      4    4   14      3    3    4    5    6    6    9    9   13   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     V   110_B     V   110_A      4    4   14      3    3    4    5    8    9   11   11   14   15   16   17   19   20   21   22   23   24   27   29 
LCS_GDT     R   111_B     R   111_A      4    4   14      3    3    4    6    8    9   11   11   14   15   16   17   19   20   21   22   22   24   27   29 
LCS_GDT     Y   112_B     Y   112_A      4    4   14      3    3    4    6    8    9   11   11   14   15   16   17   19   20   21   22   22   24   27   29 
LCS_GDT     A   113_B     A   113_A      4    4   14      0    3    4    6    8    9   11   11   14   15   16   17   19   20   21   22   22   24   25   28 
LCS_AVERAGE  LCS_A:   5.72  (   2.63    4.21   10.32 )

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     12     33     39     42     44     47     49     51     54     57     57     57     57     57     57     58     59     60     60     61 
GDT PERCENT_AT   2.48   6.82   8.06   8.68   9.09   9.71  10.12  10.54  11.16  11.78  11.78  11.78  11.78  11.78  11.78  11.98  12.19  12.40  12.40  12.60
GDT RMS_LOCAL    0.35   0.75   0.92   1.04   1.15   1.49   1.61   1.83   2.03   2.45   2.45   2.45   2.45   2.45   2.45   2.79   3.58   3.61   3.61   4.05
GDT RMS_ALL_AT  18.37  18.54  18.45  18.50  18.48  18.20  18.24  18.55  18.43  18.53  18.53  18.53  18.53  18.53  18.53  18.46  18.06  18.12  18.12  17.92

# Checking swapping
#   possible swapping detected:  D    31_B      D    31_A
#   possible swapping detected:  E    32_B      E    32_A
#   possible swapping detected:  F    51_B      F    51_A
#   possible swapping detected:  E    56_B      E    56_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    I    30_B      I    30_A     3.517     0    0.038   0.164     9.075   45.119   30.298
LGA    D    31_B      D    31_A     4.266     0    0.167   1.162    10.323   40.476   22.798
LGA    E    32_B      E    32_A     3.687     0    0.581   0.563    10.646   46.667   25.238
LGA    A    33_B      A    33_A     2.092     0    0.085   0.090     2.580   69.048   69.810
LGA    K    34_B      K    34_A     0.323     0    0.023   0.093     3.013   92.976   81.270
LGA    C    35_B      C    35_A     0.384     0    0.036   0.106     0.635   95.238   96.825
LGA    I    36_B      I    36_A     0.599     0    0.042   1.275     3.795   95.238   79.702
LGA    G    37_B      G    37_A     0.295     0    0.150   0.150     1.089   95.357   95.357
LGA    C    38_B      C    38_A     0.495     0    0.043   0.099     1.194   95.238   92.143
LGA    D    39_B      D    39_A     0.456     0    0.097   0.408     2.056  100.000   90.893
LGA    T    40_B      T    40_A     0.525     0    0.021   0.091     0.796   92.857   93.197
LGA    C    41_B      C    41_A     0.642     0    0.097   0.101     0.800   90.476   90.476
LGA    S    42_B      S    42_A     1.229     0    0.052   0.651     3.440   81.429   76.190
LGA    Q    43_B      Q    43_A     1.552     0    0.032   0.761     4.377   77.143   61.746
LGA    Y    44_B      Y    44_A     1.185     0    0.082   0.266     1.552   81.429   82.976
LGA    C    45_B      C    45_A     1.079     0    0.039   0.096     1.429   81.429   84.444
LGA    P    46_B      P    46_A     1.608     0    0.031   0.062     1.733   75.000   75.306
LGA    T    47_B      T    47_A     1.533     0    0.054   0.099     1.572   72.857   76.531
LGA    A    48_B      A    48_A     1.552     0    0.058   0.060     2.006   75.000   72.952
LGA    A    49_B      A    49_A     0.710     0    0.149   0.141     0.791   90.476   90.476
LGA    I    50_B      I    50_A     1.095     0    0.095   0.128     2.003   81.548   78.333
LGA    F    51_B      F    51_A     1.059     0    0.039   0.239     1.458   83.690   84.719
LGA    G    52_B      G    52_A     1.244     0    0.105   0.105     4.232   66.190   66.190
LGA    E    53_B      E    53_A     4.342     0    0.033   1.316    10.943   47.262   25.450
LGA    M    54_B      M    54_A     6.581     0    0.202   0.480     8.101   14.286   11.905
LGA    G    55_B      G    55_A     7.526     0    0.505   0.505     7.526   18.929   18.929
LGA    E    56_B      E    56_A     4.264     0    0.141   1.261     6.446   33.333   25.344
LGA    P    57_B      P    57_A     4.433     0    0.122   0.423     6.578   38.810   31.837
LGA    H    58_B      H    58_A     3.809     0    0.057   0.613    10.569   39.048   20.429
LGA    S    59_B      S    59_A     4.194     0    0.042   0.674     7.030   40.238   32.063
LGA    I    60_B      I    60_A     3.875     0    0.298   1.414     8.178   36.310   24.821
LGA    P    61_B      P    61_A     4.848     0    0.636   0.684     6.771   37.262   30.408
LGA    H    62_B      H    62_A     2.698     0    0.073   1.046     3.137   63.214   65.286
LGA    I    63_B      I    63_A     1.819     0    0.026   0.153     3.094   70.833   61.310
LGA    E    64_B      E    64_A     1.787     0    0.048   0.785     2.363   75.000   72.011
LGA    A    65_B      A    65_A     0.859     0    0.046   0.064     1.166   88.214   88.667
LGA    C    66_B      C    66_A     0.618     0    0.051   0.083     0.968   90.476   90.476
LGA    I    67_B      I    67_A     0.832     0    0.018   0.073     1.047   90.476   88.214
LGA    N    68_B      N    68_A     0.473     0    0.078   1.124     3.343   92.857   83.274
LGA    C    69_B      C    69_A     0.766     0    0.027   0.088     1.055   88.214   88.968
LGA    G    70_B      G    70_A     1.139     0    0.083   0.083     1.139   85.952   85.952
LGA    Q    71_B      Q    71_A     1.159     0    0.078   1.166     3.098   81.429   76.984
LGA    C    72_B      C    72_A     0.981     0    0.151   0.174     0.981   92.857   92.063
LGA    L    73_B      L    73_A     0.668     0    0.022   0.871     2.840   90.476   80.833
LGA    T    74_B      T    74_A     1.247     0    0.051   0.082     1.924   81.548   79.048
LGA    H    75_B      H    75_A     0.831     0    0.044   0.960     3.529   90.476   78.810
LGA    C    76_B      C    76_A     0.575     0    0.027   0.133     1.024   90.476   88.968
LGA    P    77_B      P    77_A     0.669     0    0.084   0.336     0.930   90.476   91.837
LGA    E    78_B      E    78_A     0.673     0    0.047   0.147     1.562   90.476   86.508
LGA    N    79_B      N    79_A     0.655     0    0.013   0.816     3.569   90.476   75.357
LGA    A    80_B      A    80_A     0.533     0    0.056   0.054     0.720   90.476   92.381
LGA    I    81_B      I    81_A     0.789     0    0.043   0.096     0.956   90.476   90.476
LGA    Y    82_B      Y    82_A     1.445     0    0.064   1.260     7.705   77.143   56.032
LGA    E    83_B      E    83_A     2.333     0    0.037   0.664     3.414   64.762   60.582
LGA    A    84_B      A    84_A     2.073     0    0.048   0.049     2.114   66.786   68.000
LGA    Q    85_B      Q    85_A     1.651     0    0.388   0.978     4.402   62.143   61.323
LGA    S    86_B      S    86_A     3.724     0    0.634   0.837     7.378   31.905   41.746
LGA    W    87_B      W    87_A    10.823     0    0.244   1.351    14.605    1.190    0.340
LGA    V    88_B      V    88_A    13.094     0    0.593   0.541    14.882    0.000    0.000
LGA    P    89_B      P    89_A    14.475     0    0.602   0.616    17.589    0.000    0.000
LGA    E    90_B      E    90_A    17.075     0    0.029   1.006    21.303    0.000    0.000
LGA    V    91_B      V    91_A    23.086     0    0.193   1.142    26.604    0.000    0.000
LGA    E    92_B      E    92_A    24.001     0    0.230   0.958    26.518    0.000    0.000
LGA    K    93_B      K    93_A    24.046     0    0.087   0.621    27.604    0.000    0.000
LGA    K    94_B      K    94_A    29.850     0    0.097   0.681    33.504    0.000    0.000
LGA    L    95_B      L    95_A    31.963     0    0.098   1.008    34.674    0.000    0.000
LGA    K    96_B      K    96_A    31.885     0    0.208   0.976    35.050    0.000    0.000
LGA    D    97_B      D    97_A    35.041     0    0.540   1.213    38.231    0.000    0.000
LGA    G    98_B      G    98_A    41.601     0    0.358   0.358    44.083    0.000    0.000
LGA    K    99_B      K    99_A    43.095     0    0.214   0.440    52.606    0.000    0.000
LGA    V   100_B      V   100_A    37.818     0    0.571   0.616    39.383    0.000    0.000
LGA    K   101_B      K   101_A    38.305     0    0.586   1.254    41.355    0.000    0.000
LGA    C   102_B      C   102_A    38.908     0    0.657   0.595    42.407    0.000    0.000
LGA    I   103_B      I   103_A    40.310     0    0.623   0.617    44.765    0.000    0.000
LGA    A   104_B      A   104_A    36.926     0    0.638   0.595    39.257    0.000    0.000
LGA    M   105_B      M   105_A    37.954     0    0.546   1.193    38.549    0.000    0.000
LGA    P   106_B      P   106_A    40.289     0    0.672   0.726    42.466    0.000    0.000
LGA    A   107_B      A   107_A    37.269     0    0.034   0.109    37.703    0.000    0.000
LGA    P   108_B      P   108_A    38.377     0    0.572   0.814    39.399    0.000    0.000
LGA    A   109_B      A   109_A    32.546     0    0.643   0.578    34.427    0.000    0.000
LGA    V   110_B      V   110_A    32.215     0    0.614   0.675    33.308    0.000    0.000
LGA    R   111_B      R   111_A    33.451     0    0.086   0.866    38.040    0.000    0.000
LGA    Y   112_B      Y   112_A    31.432     0    0.713   0.563    37.803    0.000    0.000
LGA    A   113_B      A   113_A    28.234     0    0.684   0.658    30.769    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       84     336    336  100.00     631    631  100.00               484
SUMMARY(RMSD_GDC):    14.596         14.684                 15.129            8.593    8.026

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   84  484    4.0     51    1.83     9.504     8.524     2.644

LGA_LOCAL      RMSD:   1.829  Number of atoms:   51  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.548  Number of assigned atoms:   84 
Std_ASGN_ATOMS RMSD:  14.596  Standard rmsd on all 84 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.187376 * X  +   0.861478 * Y  +   0.471960 * Z  + -43.232082
  Y_new =  -0.682962 * X  +   0.231078 * Y  +  -0.692940 * Z  +  17.234959
  Z_new =  -0.706012 * X  +  -0.452171 * Y  +   0.545058 * Z  +   3.427667 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.838566  0.783851 -0.692521   [DEG: -105.3421   44.9113  -39.6785 ]
ZXZ:  0.597927  0.994337 -2.140435   [DEG:   34.2587   56.9713 -122.6379 ]
 
# END of job
