
#######################################################
#                                                     #
#                        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  123 ( 1008),  selected   93 , name one
# Molecule2: number of CA atoms   93 (  756),  selected   93 , 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:    93      29_A - 121_A       3.62     3.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      50_A - 111_A       2.00     4.00
  LONGEST_CONTINUOUS_SEGMENT:    62      51_A - 112_A       1.97     3.99
  LCS_AVERAGE:     56.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      79_A - 106_A       0.99     4.03
  LCS_AVERAGE:     19.70

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   93
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     N    29_A     N    29_A     17   39   93     10   27   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I    30_A     I    30_A     17   39   93     10   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     D    31_A     D    31_A     17   39   93     11   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    32_A     E    32_A     17   39   93     10   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I    33_A     I    33_A     17   39   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I    34_A     I    34_A     17   39   93     10   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    35_A     E    35_A     17   39   93     10   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     N    36_A     N    36_A     17   39   93     10   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     R    37_A     R    37_A     17   39   93     10   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    38_A     K    38_A     17   39   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     L    39_A     L    39_A     17   39   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     L    40_A     L    40_A     17   39   93      6   15   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     V    41_A     V    41_A     17   39   93      5   15   36   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     P    42_A     P    42_A     17   39   93      6   15   40   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Y    43_A     Y    43_A     17   39   93      6   15   43   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I    44_A     I    44_A     17   39   93      4    9   16   27   51   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    45_A     K    45_A     17   39   93      4    8   17   21   33   65   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     C    46_A     C    46_A     11   39   93      4    6   14   39   67   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     T    47_A     T    47_A      8   39   93      4    7   15   26   35   64   77   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     L    48_A     L    48_A      6   39   93      3    6   18   27   46   68   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     D    49_A     D    49_A      6   39   93      3    6   17   27   45   68   77   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Q    50_A     Q    50_A      6   62   93      3    5   15   27   44   66   77   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     G    51_A     G    51_A      6   62   93      4    5   16   26   35   65   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     R    52_A     R    52_A      8   62   93      4   15   21   42   62   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     C    53_A     C    53_A     14   62   93      4   16   43   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     T    54_A     T    54_A     14   62   93      6   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     P    55_A     P    55_A     14   62   93      6   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    56_A     E    56_A     14   62   93      6   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     G    57_A     G    57_A     14   62   93      6   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     R    58_A     R    58_A     14   62   93      6   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    59_A     E    59_A     14   62   93      5   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     L    60_A     L    60_A     14   62   93      5   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    61_A     K    61_A     14   62   93      7   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     A    62_A     A    62_A     14   62   93      5   27   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     H    63_A     H    63_A     14   62   93      5   11   26   61   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I    64_A     I    64_A     14   62   93      9   17   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    65_A     K    65_A     14   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     D    66_A     D    66_A     14   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     A    67_A     A    67_A     14   62   93      4   12   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     M    68_A     M    68_A      9   62   93      3    7    9   18   37   68   77   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Q    69_A     Q    69_A      9   62   93      3    7    9   12   19   34   56   75   82   86   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     T    70_A     T    70_A      9   62   93      3    7   18   38   64   73   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     S    71_A     S    71_A     22   62   93      7   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     C    72_A     C    72_A     22   62   93      9   27   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     S    73_A     S    73_A     22   62   93      7   20   49   60   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    74_A     K    74_A     22   62   93      7   17   49   60   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     C    75_A     C    75_A     22   62   93      9   27   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     T    76_A     T    76_A     22   62   93      7   30   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    77_A     E    77_A     22   62   93      7   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    78_A     K    78_A     22   62   93      6   30   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Q    79_A     Q    79_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    80_A     K    80_A     28   62   93      9   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    81_A     K    81_A     28   62   93      9   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     G    82_A     G    82_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     A    83_A     A    83_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     R    84_A     R    84_A     28   62   93      7   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    85_A     K    85_A     28   62   93      7   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     V    86_A     V    86_A     28   62   93      7   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     V    87_A     V    87_A     28   62   93      7   28   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     R    88_A     R    88_A     28   62   93      7   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     H    89_A     H    89_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I    90_A     I    90_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     R    91_A     R    91_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     A    92_A     A    92_A     28   62   93     12   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    93_A     K    93_A     28   62   93      6   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    94_A     E    94_A     28   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Q    95_A     Q    95_A     28   62   93      8   31   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E    96_A     E    96_A     28   62   93      6   27   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Y    97_A     Y    97_A     28   62   93      5   16   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     W    98_A     W    98_A     28   62   93      6   14   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K    99_A     K    99_A     28   62   93      5   12   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Q   100_A     Q   100_A     28   62   93      5   14   44   58   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     I   101_A     I   101_A     28   62   93      7   12   44   58   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     L   102_A     L   102_A     28   62   93      8   29   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     A   103_A     A   103_A     28   62   93      7   29   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K   104_A     K   104_A     28   62   93      8   29   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Y   105_A     Y   105_A     28   62   93      7   27   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     D   106_A     D   106_A     28   62   93      7   31   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     P   107_A     P   107_A     27   62   93     13   31   49   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E   108_A     E   108_A     19   62   93      3   18   46   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     D   109_A     D   109_A     19   62   93      4   12   45   62   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Q   110_A     Q   110_A     17   62   93      4   12   21   58   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Y   111_A     Y   111_A     17   62   93      4   12   21   58   71   74   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     K   112_A     K   112_A      8   62   93      6    7    9   12   16   68   79   83   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E   113_A     E   113_A      7   43   93      6    7    7    9   11   21   31   71   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     N   114_A     N   114_A      7   19   93      6    7    8   14   26   49   63   72   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     Y   115_A     Y   115_A      7   19   93      6    7    9   17   29   53   64   79   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     E   116_A     E   116_A      7   18   93      6    7   10   13   20   31   34   71   84   87   88   88   89   89   89   91   92   92   93   93 
LCS_GDT     T   117_A     T   117_A      7   11   93      6    7    7   12   16   21   27   34   46   57   73   82   89   89   89   91   92   92   93   93 
LCS_GDT     F   118_A     F   118_A      7   11   93      4    4    6   11   16   20   22   25   34   42   48   61   76   80   87   91   92   92   93   93 
LCS_GDT     L   119_A     L   119_A      6   11   93      4    4    6   11   16   20   22   24   29   38   46   61   73   80   83   91   92   92   93   93 
LCS_GDT     A   120_A     A   120_A      6   11   93      4    4    6   11   16   20   22   24   31   44   49   61   73   81   87   91   92   92   93   93 
LCS_GDT     A   121_A     A   121_A      6   11   93      4    4    6    9   11   13   14   21   24   30   38   50   58   69   79   84   89   92   93   93 
LCS_AVERAGE  LCS_A:  58.70  (  19.70   56.41  100.00 )

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     13     31     49     62     71     74     79     83     84     87     88     88     89     89     89     91     92     92     93     93 
GDT PERCENT_AT  13.98  33.33  52.69  66.67  76.34  79.57  84.95  89.25  90.32  93.55  94.62  94.62  95.70  95.70  95.70  97.85  98.92  98.92 100.00 100.00
GDT RMS_LOCAL    0.43   0.75   1.02   1.29   1.47   1.61   1.92   2.10   2.18   2.47   2.52   2.52   2.70   2.70   2.70   3.17   3.36   3.36   3.62   3.62
GDT RMS_ALL_AT   4.09   4.11   4.40   4.09   4.06   4.03   3.95   3.94   3.90   3.78   3.78   3.78   3.73   3.73   3.73   3.65   3.63   3.63   3.62   3.62

# Checking swapping
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  E   116_A      E   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.163     0    0.303   1.052     2.894   82.262   77.738
LGA    I    30_A      I    30_A     0.437     0    0.058   1.661     4.883   97.619   76.607
LGA    D    31_A      D    31_A     0.295     0    0.045   0.640     2.406   95.238   86.429
LGA    E    32_A      E    32_A     1.147     0    0.065   1.124     4.930   81.548   68.942
LGA    I    33_A      I    33_A     1.220     0    0.036   1.099     2.673   77.143   74.345
LGA    I    34_A      I    34_A     1.844     0    0.157   1.048     3.112   70.833   68.095
LGA    E    35_A      E    35_A     1.966     0    0.033   0.510     2.225   68.810   70.159
LGA    N    36_A      N    36_A     2.068     0    0.021   0.269     2.175   66.786   68.810
LGA    R    37_A      R    37_A     2.031     0    0.097   1.489     4.747   68.810   64.892
LGA    K    38_A      K    38_A     1.389     0    0.193   1.438     7.665   77.143   59.735
LGA    L    39_A      L    39_A     1.043     0    0.026   0.105     2.428   83.690   76.250
LGA    L    40_A      L    40_A     1.748     0    0.076   1.414     3.323   75.000   72.262
LGA    V    41_A      V    41_A     1.797     0    0.066   1.370     4.268   70.833   67.823
LGA    P    42_A      P    42_A     1.632     0    0.064   0.087     2.073   70.833   72.925
LGA    Y    43_A      Y    43_A     1.540     0    0.064   0.222     2.508   69.048   79.603
LGA    I    44_A      I    44_A     3.682     0    0.107   0.647     4.933   45.000   38.929
LGA    K    45_A      K    45_A     4.362     0    0.081   0.737     7.866   43.571   29.365
LGA    C    46_A      C    46_A     2.598     0    0.033   0.868     2.917   57.143   59.762
LGA    T    47_A      T    47_A     3.778     0    0.118   1.215     6.859   42.500   36.803
LGA    L    48_A      L    48_A     3.825     0    0.337   1.402     8.099   45.000   33.333
LGA    D    49_A      D    49_A     4.142     0    0.161   0.355     5.848   35.714   32.381
LGA    Q    50_A      Q    50_A     4.892     0    0.152   1.350    10.349   32.857   18.942
LGA    G    51_A      G    51_A     4.544     0    0.552   0.552     5.577   31.786   31.786
LGA    R    52_A      R    52_A     3.243     0    0.142   1.318    12.013   61.548   32.900
LGA    C    53_A      C    53_A     1.333     0    0.096   0.212     2.064   79.405   75.873
LGA    T    54_A      T    54_A     1.325     0    0.089   0.193     2.131   83.690   77.891
LGA    P    55_A      P    55_A     1.245     0    0.045   0.087     1.396   83.690   82.721
LGA    E    56_A      E    56_A     0.942     0    0.060   0.928     5.187   88.214   69.841
LGA    G    57_A      G    57_A     1.189     0    0.050   0.050     1.189   85.952   85.952
LGA    R    58_A      R    58_A     0.715     0    0.097   1.667     9.294   95.238   61.169
LGA    E    59_A      E    59_A     0.566     0    0.038   1.059     4.372   92.857   80.106
LGA    L    60_A      L    60_A     0.840     0    0.063   1.246     3.168   88.214   79.940
LGA    K    61_A      K    61_A     0.525     0    0.032   0.832     3.683   97.619   80.952
LGA    A    62_A      A    62_A     1.090     0    0.031   0.034     1.644   86.071   83.429
LGA    H    63_A      H    63_A     2.190     0    0.098   0.953     4.892   66.786   54.429
LGA    I    64_A      I    64_A     2.084     0    0.187   0.672     6.538   72.976   55.357
LGA    K    65_A      K    65_A     1.289     0    0.066   1.029     7.244   81.429   58.995
LGA    D    66_A      D    66_A     1.275     0    0.042   0.195     2.234   83.690   77.262
LGA    A    67_A      A    67_A     2.038     0    0.067   0.073     3.356   63.333   60.667
LGA    M    68_A      M    68_A     4.185     0    0.122   1.059     6.296   34.405   41.429
LGA    Q    69_A      Q    69_A     5.858     0    0.130   1.256     8.988   21.071   14.180
LGA    T    70_A      T    70_A     3.989     0    0.370   0.947     5.415   45.238   38.639
LGA    S    71_A      S    71_A     2.067     0    0.515   0.507     3.742   72.976   65.397
LGA    C    72_A      C    72_A     2.007     0    0.068   0.099     2.105   68.810   70.159
LGA    S    73_A      S    73_A     2.601     0    0.032   0.547     4.622   59.048   52.937
LGA    K    74_A      K    74_A     2.379     0    0.190   0.734     3.879   62.857   60.688
LGA    C    75_A      C    75_A     1.878     0    0.132   0.539     2.905   70.833   68.889
LGA    T    76_A      T    76_A     1.251     0    0.048   1.014     2.415   81.429   76.667
LGA    E    77_A      E    77_A     1.330     0    0.031   0.932     7.199   85.952   55.185
LGA    K    78_A      K    78_A     0.871     4    0.028   0.051     1.465   90.476   49.259
LGA    Q    79_A      Q    79_A     0.588     0    0.109   0.747     3.179   90.595   85.026
LGA    K    80_A      K    80_A     1.382     0    0.056   0.695     4.065   81.548   68.360
LGA    K    81_A      K    81_A     1.080     4    0.047   0.055     1.593   79.286   45.291
LGA    G    82_A      G    82_A     1.185     0    0.073   0.073     1.616   79.286   79.286
LGA    A    83_A      A    83_A     1.360     0    0.054   0.058     1.591   79.286   78.000
LGA    R    84_A      R    84_A     1.416     0    0.042   0.852     3.307   77.143   68.139
LGA    K    85_A      K    85_A     1.396     0    0.070   1.051     4.840   75.119   69.524
LGA    V    86_A      V    86_A     1.719     0    0.229   1.360     3.481   75.000   66.395
LGA    V    87_A      V    87_A     1.871     0    0.022   1.099     4.423   72.857   63.333
LGA    R    88_A      R    88_A     1.493     0    0.033   1.048     3.978   79.286   67.446
LGA    H    89_A      H    89_A     1.255     0    0.073   1.187     6.906   83.690   54.381
LGA    I    90_A      I    90_A     1.205     0    0.026   1.244     3.229   85.952   74.643
LGA    R    91_A      R    91_A     0.856     0    0.073   1.416     7.541   90.595   60.606
LGA    A    92_A      A    92_A     0.544     0    0.052   0.048     0.814   95.238   94.286
LGA    K    93_A      K    93_A     0.658     0    0.121   0.782     4.328   90.476   76.138
LGA    E    94_A      E    94_A     0.603     0    0.079   0.281     1.160   88.214   88.466
LGA    Q    95_A      Q    95_A     0.950     4    0.033   0.057     1.507   83.810   46.296
LGA    E    96_A      E    96_A     1.671     0    0.071   1.216     5.571   72.976   59.735
LGA    Y    97_A      Y    97_A     1.974     0    0.069   0.384     4.178   66.905   58.333
LGA    W    98_A      W    98_A     1.804     0    0.032   0.403     2.515   70.833   75.578
LGA    K    99_A      K    99_A     2.041     0    0.056   0.911     4.557   66.786   58.889
LGA    Q   100_A      Q   100_A     2.351     0    0.050   0.526     2.753   60.952   67.672
LGA    I   101_A      I   101_A     2.402     0    0.049   1.309     4.777   64.762   58.750
LGA    L   102_A      L   102_A     1.647     0    0.074   0.869     3.956   72.976   68.214
LGA    A   103_A      A   103_A     1.659     0    0.046   0.046     1.859   75.000   74.571
LGA    K   104_A      K   104_A     1.690     0    0.027   0.643     5.753   77.143   61.429
LGA    Y   105_A      Y   105_A     1.166     0    0.105   0.943     2.795   81.429   76.667
LGA    D   106_A      D   106_A     0.576     0    0.099   0.143     0.850   95.238   92.857
LGA    P   107_A      P   107_A     0.919     0    0.103   0.168     1.424   85.952   85.306
LGA    E   108_A      E   108_A     2.201     0    0.239   0.519     6.189   70.833   48.889
LGA    D   109_A      D   109_A     1.639     0    0.236   0.642     3.292   65.119   66.131
LGA    Q   110_A      Q   110_A     2.759     0    0.312   1.135     6.947   52.857   39.947
LGA    Y   111_A      Y   111_A     2.731     0    0.284   0.907     4.856   57.262   49.960
LGA    K   112_A      K   112_A     4.287     0    0.069   1.203     5.692   34.881   34.656
LGA    E   113_A      E   113_A     7.131     0    0.038   1.086    12.125   11.548    5.926
LGA    N   114_A      N   114_A     6.947     0    0.028   0.060     8.045   12.143   11.548
LGA    Y   115_A      Y   115_A     5.932     0    0.043   0.212     6.492   19.286   33.968
LGA    E   116_A      E   116_A     7.085     0    0.109   1.141     9.710    7.619   12.275
LGA    T   117_A      T   117_A    10.572     0    0.185   0.335    12.662    0.357    0.272
LGA    F   118_A      F   118_A    12.839     0    0.063   0.315    16.609    0.000    0.000
LGA    L   119_A      L   119_A    13.002     0    0.163   0.200    13.745    0.000    0.000
LGA    A   120_A      A   120_A    12.898     0    0.242   0.237    15.225    0.000    0.000
LGA    A   121_A      A   121_A    15.786     0    0.094   0.092    19.455    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       93     372    372  100.00     756    756  100.00                93
SUMMARY(RMSD_GDC):     3.620          3.728                  4.147           65.841   58.108

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     83    2.10    71.774    72.186     3.773

LGA_LOCAL      RMSD:   2.100  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.943  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   3.620  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.976286 * X  +   0.063968 * Y  +  -0.206818 * Z  +  16.640837
  Y_new =   0.212265 * X  +  -0.470543 * Y  +   0.856465 * Z  +  -5.701468
  Z_new =  -0.042531 * X  +  -0.880055 * Y  +  -0.472963 * Z  +  14.312737 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.214089  0.042543 -2.063933   [DEG:   12.2664    2.4376 -118.2546 ]
ZXZ: -2.904650  2.063447 -3.093303   [DEG: -166.4242  118.2268 -177.2332 ]
 
# END of job
