
#######################################################
#                                                     #
#                        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       2.44     2.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      29_A - 118_A       1.98     2.48
  LCS_AVERAGE:     94.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      29_A - 105_A       1.00     2.73
  LONGEST_CONTINUOUS_SEGMENT:    77      30_A - 106_A       0.99     2.74
  LCS_AVERAGE:     72.46

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     77   90   93     18   43   63   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     77   90   93     18   47   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     77   90   93     18   47   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     77   90   93     18   47   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     77   90   93     18   43   70   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     77   90   93     18   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     77   90   93     17   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     77   90   93     19   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     77   90   93     10   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     77   90   93     12   44   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     77   90   93     13   44   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     77   90   93     13   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     77   90   93     14   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     77   90   93      5   45   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     77   90   93     10   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     77   90   93     14   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     77   90   93     14   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     77   90   93      7   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     77   90   93      5   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     77   90   93      5   44   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     77   90   93     13   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     77   90   93     13   43   73   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     77   90   93     13   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     77   90   93     13   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     77   90   93     16   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     77   90   93     19   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     77   90   93     18   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     77   90   93     10   47   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     77   90   93     10   45   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     77   90   93     13   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     77   90   93     10   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     77   90   93      6   44   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     77   90   93     13   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     77   90   93     13   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     77   90   93     14   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     77   90   93     10   47   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     77   90   93     16   47   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     77   90   93     14   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     77   90   93     22   49   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     77   90   93     14   46   74   78   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     69   90   93      8   22   51   76   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     31   90   93      6   15   54   69   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     28   90   93      6   24   60   77   81   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     12   90   93      6    9   28   45   67   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     11   90   93      9   10   31   48   67   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   90   93      9   10   10   12   29   64   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   90   93      9   10   10   11   20   69   78   87   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   90   93      9   10   18   27   38   69   84   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   90   93      9   10   24   41   66   83   85   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   90   93      9   10   21   33   46   70   84   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   90   93      9   10   11   27   35   43   57   87   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   90   93      9   10   12   25   37   50   69   86   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   23   93      9   10   14   27   43   63   75   88   91   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   23   93      9   10   18   27   37   43   57   71   86   92   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   13   93      0    4    5   11   12   14   16   22   36   55   62   72   84   88   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  88.93  (  72.46   94.33  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     22     49     74     78     81     83     85     88     91     92     92     92     92     92     93     93     93     93     93     93 
GDT PERCENT_AT  23.66  52.69  79.57  83.87  87.10  89.25  91.40  94.62  97.85  98.92  98.92  98.92  98.92  98.92 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.69   0.95   1.01   1.14   1.28   1.43   1.74   2.04   2.15   2.15   2.15   2.15   2.15   2.44   2.44   2.44   2.44   2.44   2.44
GDT RMS_ALL_AT   3.14   2.84   2.74   2.73   2.74   2.70   2.65   2.54   2.47   2.45   2.45   2.45   2.45   2.45   2.44   2.44   2.44   2.44   2.44   2.44

# Checking swapping
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y    97_A      Y    97_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  F   118_A      F   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.678     0    0.283   1.465     3.327   71.429   68.631
LGA    I    30_A      I    30_A     1.078     0    0.033   0.230     1.680   88.333   83.810
LGA    D    31_A      D    31_A     0.411     0    0.044   0.244     1.668   97.619   91.845
LGA    E    32_A      E    32_A     0.618     0    0.085   1.127     3.873   90.476   74.339
LGA    I    33_A      I    33_A     0.623     0    0.034   0.606     3.020   95.238   87.798
LGA    I    34_A      I    34_A     0.445     0    0.087   1.411     4.165   95.238   80.952
LGA    E    35_A      E    35_A     0.726     0    0.084   0.640     3.574   83.810   75.503
LGA    N    36_A      N    36_A     1.443     0    0.071   0.509     3.394   81.429   72.262
LGA    R    37_A      R    37_A     1.538     0    0.083   0.928     4.252   75.000   72.121
LGA    K    38_A      K    38_A     1.991     0    0.135   0.879     2.393   68.810   74.021
LGA    L    39_A      L    39_A     1.578     0    0.047   0.197     2.645   75.000   69.940
LGA    L    40_A      L    40_A     1.115     0    0.030   1.164     3.280   81.429   76.548
LGA    V    41_A      V    41_A     1.080     0    0.061   1.132     2.794   81.429   76.735
LGA    P    42_A      P    42_A     1.201     0    0.029   0.095     1.773   81.429   77.755
LGA    Y    43_A      Y    43_A     1.004     0    0.054   0.456     4.220   85.952   68.770
LGA    I    44_A      I    44_A     0.787     0    0.048   0.636     2.587   90.476   85.179
LGA    K    45_A      K    45_A     0.883     0    0.094   0.556     1.875   90.476   83.545
LGA    C    46_A      C    46_A     0.871     0    0.032   0.081     0.899   90.476   90.476
LGA    T    47_A      T    47_A     1.021     0    0.099   1.207     2.693   83.690   78.027
LGA    L    48_A      L    48_A     0.904     0    0.169   1.444     4.762   85.952   68.750
LGA    D    49_A      D    49_A     1.220     0    0.087   0.286     2.169   79.286   76.131
LGA    Q    50_A      Q    50_A     1.499     0    0.151   0.833     5.246   75.119   61.958
LGA    G    51_A      G    51_A     1.058     0    0.013   0.013     1.107   81.429   81.429
LGA    R    52_A      R    52_A     1.024     0    0.039   1.020     2.582   85.952   78.615
LGA    C    53_A      C    53_A     0.453     0    0.136   0.138     0.563   92.857   95.238
LGA    T    54_A      T    54_A     1.051     0    0.129   1.115     3.679   90.595   77.755
LGA    P    55_A      P    55_A     0.820     0    0.081   0.239     1.415   88.214   85.306
LGA    E    56_A      E    56_A     0.998     0    0.116   1.117     4.640   90.476   67.407
LGA    G    57_A      G    57_A     0.611     0    0.050   0.050     0.709   90.476   90.476
LGA    R    58_A      R    58_A     1.031     0    0.084   0.977     4.937   88.214   69.048
LGA    E    59_A      E    59_A     0.992     0    0.058   1.192     6.071   88.214   62.910
LGA    L    60_A      L    60_A     0.599     0    0.035   1.130     2.698   90.476   83.095
LGA    K    61_A      K    61_A     0.566     0    0.023   0.753     2.366   90.476   80.847
LGA    A    62_A      A    62_A     0.760     0    0.035   0.041     0.894   90.476   90.476
LGA    H    63_A      H    63_A     0.935     0    0.029   0.136     1.298   88.214   85.048
LGA    I    64_A      I    64_A     0.829     0    0.034   0.622     2.733   90.476   85.179
LGA    K    65_A      K    65_A     0.960     0    0.034   1.008     4.692   85.952   69.101
LGA    D    66_A      D    66_A     1.236     0    0.031   0.125     2.029   81.548   77.262
LGA    A    67_A      A    67_A     1.259     0    0.077   0.075     1.854   79.286   79.714
LGA    M    68_A      M    68_A     1.328     0    0.059   1.143     4.409   77.143   71.607
LGA    Q    69_A      Q    69_A     2.064     0    0.063   0.959     4.602   68.810   61.164
LGA    T    70_A      T    70_A     1.281     0    0.056   0.784     2.423   81.429   80.340
LGA    S    71_A      S    71_A     1.586     0    0.021   0.592     1.831   77.143   77.143
LGA    C    72_A      C    72_A     1.368     0    0.050   0.413     1.971   81.429   80.000
LGA    S    73_A      S    73_A     1.367     0    0.044   0.680     2.876   81.429   77.381
LGA    K    74_A      K    74_A     1.745     0    0.236   1.347     5.539   70.833   63.016
LGA    C    75_A      C    75_A     1.741     0    0.065   0.235     2.059   70.833   72.937
LGA    T    76_A      T    76_A     1.739     0    0.075   1.046     3.253   72.857   69.592
LGA    E    77_A      E    77_A     1.635     0    0.043   1.093     5.306   72.857   63.386
LGA    K    78_A      K    78_A     1.392     4    0.050   0.069     1.464   81.429   45.238
LGA    Q    79_A      Q    79_A     1.329     0    0.116   0.149     1.459   83.690   82.434
LGA    K    80_A      K    80_A     1.710     0    0.032   0.440     3.150   72.857   67.672
LGA    K    81_A      K    81_A     1.814     4    0.028   0.040     1.900   72.857   40.476
LGA    G    82_A      G    82_A     1.426     0    0.045   0.045     1.588   79.286   79.286
LGA    A    83_A      A    83_A     0.888     0    0.054   0.054     1.106   90.595   88.762
LGA    R    84_A      R    84_A     0.819     0    0.043   1.140     4.100   90.476   75.758
LGA    K    85_A      K    85_A     1.183     0    0.049   1.074     2.561   81.429   78.730
LGA    V    86_A      V    86_A     0.761     0    0.046   0.174     1.085   90.476   89.184
LGA    V    87_A      V    87_A     1.024     0    0.031   1.092     3.048   83.690   78.299
LGA    R    88_A      R    88_A     1.208     0    0.029   0.962     5.014   81.429   64.589
LGA    H    89_A      H    89_A     0.787     0    0.033   1.165     5.753   90.476   62.667
LGA    I    90_A      I    90_A     1.127     0    0.030   1.240     3.356   81.429   70.536
LGA    R    91_A      R    91_A     1.036     0    0.033   1.593     3.745   85.952   72.814
LGA    A    92_A      A    92_A     0.915     0    0.093   0.093     1.077   90.595   90.571
LGA    K    93_A      K    93_A     0.839     0    0.139   0.710     2.909   85.952   78.201
LGA    E    94_A      E    94_A     1.156     0    0.122   0.730     2.026   83.690   83.598
LGA    Q    95_A      Q    95_A     1.116     4    0.060   0.085     1.265   83.690   46.243
LGA    E    96_A      E    96_A     1.053     0    0.054   1.182     5.253   83.690   63.757
LGA    Y    97_A      Y    97_A     0.885     0    0.068   0.524     2.349   88.214   77.381
LGA    W    98_A      W    98_A     0.991     0    0.040   0.166     2.102   90.476   79.796
LGA    K    99_A      K    99_A     0.796     0    0.077   0.930     4.167   90.476   82.593
LGA    Q   100_A      Q   100_A     0.425     0    0.041   1.010     3.888   97.619   85.556
LGA    I   101_A      I   101_A     0.573     0    0.041   0.632     2.693   92.857   87.560
LGA    L   102_A      L   102_A     1.361     0    0.041   1.010     2.945   81.429   74.226
LGA    A   103_A      A   103_A     0.862     0    0.059   0.058     0.919   90.476   90.476
LGA    K   104_A      K   104_A     0.670     0    0.025   0.304     1.491   90.476   87.460
LGA    Y   105_A      Y   105_A     0.988     0    0.109   0.133     1.361   85.952   82.937
LGA    D   106_A      D   106_A     1.468     0    0.081   0.148     2.750   77.143   72.083
LGA    P   107_A      P   107_A     2.857     0    0.025   0.138     3.943   59.048   53.265
LGA    E   108_A      E   108_A     3.232     0    0.182   0.569     6.640   57.262   38.254
LGA    D   109_A      D   109_A     2.093     0    0.193   0.647     3.734   57.500   59.345
LGA    Q   110_A      Q   110_A     3.614     0    0.245   0.982     8.093   42.500   29.312
LGA    Y   111_A      Y   111_A     3.258     0    0.279   1.425    12.195   50.000   26.786
LGA    K   112_A      K   112_A     4.199     0    0.034   1.044     6.006   35.833   31.958
LGA    E   113_A      E   113_A     5.819     0    0.039   1.255    12.665   22.857   12.381
LGA    N   114_A      N   114_A     5.240     0    0.080   1.191     6.399   28.810   26.369
LGA    Y   115_A      Y   115_A     3.722     0    0.114   1.226    11.384   41.786   25.754
LGA    E   116_A      E   116_A     4.972     0    0.027   1.148     6.008   26.786   30.952
LGA    T   117_A      T   117_A     6.950     0    0.045   0.239     7.775   11.905   12.109
LGA    F   118_A      F   118_A     6.452     0    0.052   0.284     8.176   16.190   12.294
LGA    L   119_A      L   119_A     5.506     0    0.161   0.950     7.670   20.357   18.333
LGA    A   120_A      A   120_A     7.668     0    0.589   0.550     8.998    6.548    5.810
LGA    A   121_A      A   121_A    12.381     0    0.142   0.135    15.475    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):     2.439          2.517                  3.091           75.832   68.090

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     88    1.74    82.796    89.618     4.794

LGA_LOCAL      RMSD:   1.736  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.542  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.439  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.778858 * X  +  -0.052531 * Y  +  -0.624997 * Z  +  18.104734
  Y_new =   0.612853 * X  +  -0.148181 * Y  +   0.776179 * Z  +  -7.552588
  Z_new =  -0.133387 * X  +  -0.987564 * Y  +  -0.083218 * Z  +  14.358055 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.666678  0.133785 -1.654864   [DEG:   38.1978    7.6653  -94.8167 ]
ZXZ: -2.463675  1.654111 -3.007339   [DEG: -141.1582   94.7736 -172.3078 ]
 
# END of job
