
#######################################################
#                                                     #
#                        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       2.94     2.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86      29_A - 114_A       1.99     3.13
  LCS_AVERAGE:     87.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_A - 109_A       0.95     3.27
  LONGEST_CONTINUOUS_SEGMENT:    35      76_A - 110_A       0.98     3.24
  LCS_AVERAGE:     26.42

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     22   86   93     10   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     22   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     22   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     22   86   93     12   29   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     22   86   93     12   30   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     22   86   93      8   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     22   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     22   86   93     11   32   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     22   86   93      6   35   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     22   86   93     12   35   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     22   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     22   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     22   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     22   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     22   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     22   86   93     11   25   59   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     22   86   93     11   26   61   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     22   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     22   86   93     10   20   58   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     22   86   93     11   21   52   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     22   86   93     11   33   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     22   86   93      5   15   22   62   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     17   86   93      3    4   19   34   70   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     19   86   93      3    7   36   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     19   86   93      3    9   20   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     19   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     19   86   93      4   21   60   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     19   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     19   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     19   86   93     12   27   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     19   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     19   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     19   86   93     12   23   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     19   86   93     12   33   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     19   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     19   86   93     12   35   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     19   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     19   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     19   86   93     10   21   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     19   86   93     12   23   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     19   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     19   86   93      7   35   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A      6   86   93      3    3    6    6   16   21   77   80   83   83   84   87   89   90   92   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A      6   86   93      5   17   22   56   74   78   80   82   84   87   87   89   91   92   92   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A      6   86   93      5    5   42   70   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A      6   86   93      5    5   20   36   49   73   79   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     35   86   93      5    6   32   65   74   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     35   86   93      6   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     35   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     35   86   93      6   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     35   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     35   86   93     12   29   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     35   86   93     12   36   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     35   86   93     12   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     35   86   93      8   36   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     35   86   93      7   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     35   86   93      6   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     35   86   93      5   35   61   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     35   86   93      5   30   60   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     35   86   93      5   30   60   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     35   86   93      5   31   60   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     35   86   93      4   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     35   86   93      4   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     35   86   93     18   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     35   86   93     11   37   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     35   86   93      3   25   62   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     35   86   93      4   34   61   72   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     35   86   93      5   15   30   61   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     29   86   93      5   15   35   70   77   79   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   86   93      6   11   12   21   34   77   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   86   93      5   11   11   15   19   34   43   78   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   86   93      6   11   12   20   34   57   74   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   43   93      6   11   14   24   45   74   82   83   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   22   93      6   11   13   20   29   37   55   79   86   87   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   22   93      6   11   11   19   24   34   43   47   65   79   85   90   91   92   92   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   22   93      6   11   11   19   24   34   38   52   73   79   85   90   91   92   92   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   22   93      6   11   12   20   28   34   43   62   76   86   87   90   91   92   92   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   22   93      6   11   11   19   24   34   37   46   58   74   82   90   91   92   92   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   22   93      5   11   11   17   24   33   37   42   50   64   72   81   90   92   92   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  71.32  (  26.42   87.54  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     18     37     62     72     77     79     82     83     86     87     87     90     91     92     92     93     93     93     93     93 
GDT PERCENT_AT  19.35  39.78  66.67  77.42  82.80  84.95  88.17  89.25  92.47  93.55  93.55  96.77  97.85  98.92  98.92 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.75   1.02   1.16   1.31   1.37   1.57   1.67   2.01   2.04   2.04   2.61   2.65   2.85   2.74   2.94   2.94   2.94   2.94   2.94
GDT RMS_ALL_AT   3.55   3.33   3.36   3.30   3.24   3.24   3.17   3.14   3.03   3.04   3.04   2.94   2.94   2.94   2.95   2.94   2.94   2.94   2.94   2.94

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  E   116_A      E   116_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     0.626     0    0.165   0.376     3.225   92.976   82.262
LGA    I    30_A      I    30_A     0.787     0    0.090   0.816     2.667   88.214   82.917
LGA    D    31_A      D    31_A     0.853     0    0.063   0.227     1.646   85.952   83.750
LGA    E    32_A      E    32_A     1.290     0    0.062   0.799     2.513   81.548   78.836
LGA    I    33_A      I    33_A     1.593     0    0.056   1.497     5.138   72.976   60.536
LGA    I    34_A      I    34_A     1.549     0    0.138   1.360     2.922   79.286   71.131
LGA    E    35_A      E    35_A     1.357     0    0.127   0.830     3.777   73.214   67.196
LGA    N    36_A      N    36_A     1.936     0    0.184   1.015     3.834   65.119   61.310
LGA    R    37_A      R    37_A     1.651     0    0.164   1.077     3.215   72.857   72.338
LGA    K    38_A      K    38_A     1.674     0    0.140   1.037     3.967   70.833   66.138
LGA    L    39_A      L    39_A     1.218     0    0.030   0.097     1.359   81.429   81.429
LGA    L    40_A      L    40_A     1.289     0    0.120   0.185     1.952   79.286   79.286
LGA    V    41_A      V    41_A     0.964     0    0.048   0.156     1.188   88.214   89.184
LGA    P    42_A      P    42_A     0.413     0    0.050   0.587     1.594   92.857   89.320
LGA    Y    43_A      Y    43_A     1.207     0    0.039   0.158     2.206   83.690   75.119
LGA    I    44_A      I    44_A     1.668     0    0.127   0.641     3.652   72.976   69.226
LGA    K    45_A      K    45_A     1.317     0    0.081   0.084     3.015   81.429   72.434
LGA    C    46_A      C    46_A     0.904     0    0.020   0.274     1.286   85.952   85.952
LGA    T    47_A      T    47_A     1.927     0    0.155   1.262     4.561   70.833   65.850
LGA    L    48_A      L    48_A     2.008     0    0.123   0.153     2.652   70.833   66.845
LGA    D    49_A      D    49_A     1.193     0    0.183   0.969     4.175   77.143   67.083
LGA    Q    50_A      Q    50_A     2.738     0    0.112   0.353     4.619   55.476   49.630
LGA    G    51_A      G    51_A     3.664     0    0.536   0.536     3.664   50.119   50.119
LGA    R    52_A      R    52_A     2.546     0    0.615   1.536    10.668   63.333   32.294
LGA    C    53_A      C    53_A     2.852     0    0.046   0.722     4.662   64.881   54.683
LGA    T    54_A      T    54_A     1.430     0    0.370   1.264     3.287   75.000   68.503
LGA    P    55_A      P    55_A     2.039     0    0.049   0.111     2.563   72.976   69.524
LGA    E    56_A      E    56_A     0.959     0    0.037   0.485     1.970   88.214   83.492
LGA    G    57_A      G    57_A     1.098     0    0.028   0.028     1.286   83.690   83.690
LGA    R    58_A      R    58_A     1.543     0    0.073   1.387     4.610   77.143   67.532
LGA    E    59_A      E    59_A     1.020     0    0.034   1.140     4.040   85.952   74.815
LGA    L    60_A      L    60_A     0.691     0    0.062   0.086     1.366   90.476   87.083
LGA    K    61_A      K    61_A     1.421     0    0.017   1.153     9.267   83.690   52.751
LGA    A    62_A      A    62_A     1.128     0    0.048   0.044     1.592   85.952   83.333
LGA    H    63_A      H    63_A     1.058     0    0.035   1.104     2.695   85.952   76.619
LGA    I    64_A      I    64_A     1.215     0    0.045   0.145     2.150   83.690   78.333
LGA    K    65_A      K    65_A     0.852     0    0.087   1.008     3.358   90.476   76.402
LGA    D    66_A      D    66_A     0.919     0    0.035   0.859     4.835   83.810   66.071
LGA    A    67_A      A    67_A     1.950     0    0.085   0.101     2.605   71.071   69.810
LGA    M    68_A      M    68_A     1.666     0    0.041   1.094     4.087   75.000   68.452
LGA    Q    69_A      Q    69_A     1.136     0    0.199   0.308     1.891   79.286   83.492
LGA    T    70_A      T    70_A     0.925     0    0.071   0.872     5.181   75.714   59.456
LGA    S    71_A      S    71_A     6.149     0    0.430   0.696     9.152   23.214   16.905
LGA    C    72_A      C    72_A     3.746     0    0.156   0.759     6.800   60.833   47.143
LGA    S    73_A      S    73_A     2.162     0    0.679   0.694     4.810   69.762   58.968
LGA    K    74_A      K    74_A     5.201     0    0.177   0.620    14.240   31.667   15.503
LGA    C    75_A      C    75_A     2.863     0    0.060   0.319     5.069   69.405   58.968
LGA    T    76_A      T    76_A     0.922     0    0.469   1.328     3.887   77.381   72.449
LGA    E    77_A      E    77_A     0.967     0    0.055   0.945     2.650   90.476   82.063
LGA    K    78_A      K    78_A     0.584     4    0.086   0.081     0.815   92.857   52.381
LGA    Q    79_A      Q    79_A     0.933     0    0.113   1.031     5.147   90.476   71.376
LGA    K    80_A      K    80_A     1.143     0    0.035   0.676     2.945   81.429   73.228
LGA    K    81_A      K    81_A     1.300     4    0.032   0.031     1.438   81.429   45.238
LGA    G    82_A      G    82_A     1.156     0    0.044   0.044     1.178   81.429   81.429
LGA    A    83_A      A    83_A     1.429     0    0.084   0.079     1.708   81.429   79.714
LGA    R    84_A      R    84_A     1.154     0    0.030   1.070     4.622   81.429   62.944
LGA    K    85_A      K    85_A     1.173     0    0.013   0.621     2.838   81.429   72.328
LGA    V    86_A      V    86_A     1.128     0    0.064   0.091     1.188   81.429   81.429
LGA    V    87_A      V    87_A     1.277     0    0.046   1.193     4.203   83.690   73.946
LGA    R    88_A      R    88_A     0.955     0    0.056   0.970     6.682   88.214   60.043
LGA    H    89_A      H    89_A     1.058     0    0.106   1.254     7.283   81.548   52.714
LGA    I    90_A      I    90_A     1.384     0    0.062   0.107     1.665   79.286   78.214
LGA    R    91_A      R    91_A     1.294     0    0.040   1.161     8.238   75.119   49.870
LGA    A    92_A      A    92_A     1.511     0    0.083   0.088     1.785   79.286   78.000
LGA    K    93_A      K    93_A     1.439     0    0.171   0.362     4.463   88.333   66.614
LGA    E    94_A      E    94_A     0.662     0    0.504   0.465     3.605   76.667   78.466
LGA    Q    95_A      Q    95_A     0.592     4    0.047   0.050     0.719   92.857   51.323
LGA    E    96_A      E    96_A     0.777     0    0.116   0.605     1.541   90.476   86.508
LGA    Y    97_A      Y    97_A     0.837     0    0.064   0.418     2.046   88.214   82.381
LGA    W    98_A      W    98_A     0.900     0    0.073   0.345     2.476   92.857   76.293
LGA    K    99_A      K    99_A     0.632     0    0.071   1.193     5.582   90.476   76.243
LGA    Q   100_A      Q   100_A     0.598     0    0.048   0.638     2.079   95.238   86.720
LGA    I   101_A      I   101_A     0.660     0    0.013   0.127     1.129   90.476   90.536
LGA    L   102_A      L   102_A     0.765     0    0.061   1.214     3.988   90.476   75.476
LGA    A   103_A      A   103_A     0.615     0    0.057   0.059     0.661   90.476   90.476
LGA    K   104_A      K   104_A     0.664     0    0.047   0.314     1.278   88.214   88.466
LGA    Y   105_A      Y   105_A     1.056     0    0.124   0.293     1.715   81.548   84.563
LGA    D   106_A      D   106_A     1.153     0    0.198   0.793     2.981   79.286   72.202
LGA    P   107_A      P   107_A     0.966     0    0.065   0.334     1.477   83.690   82.721
LGA    E   108_A      E   108_A     1.822     0    0.251   0.531     5.029   79.286   57.566
LGA    D   109_A      D   109_A     1.310     0    0.127   0.687     5.294   75.119   60.774
LGA    Q   110_A      Q   110_A     2.527     0    0.234   1.159     7.611   55.000   41.958
LGA    Y   111_A      Y   111_A     2.098     0    0.274   0.349     5.546   66.786   53.690
LGA    K   112_A      K   112_A     3.988     0    0.078   0.978    11.513   37.738   21.005
LGA    E   113_A      E   113_A     6.858     0    0.042   0.718    11.924   13.810    6.931
LGA    N   114_A      N   114_A     6.027     0    0.055   0.256     6.729   18.333   18.333
LGA    Y   115_A      Y   115_A     4.657     0    0.095   1.054     9.226   28.810   30.952
LGA    E   116_A      E   116_A     6.645     0    0.036   1.060     8.567   11.190   10.899
LGA    T   117_A      T   117_A     9.334     0    0.053   0.953    10.711    1.667    1.361
LGA    F   118_A      F   118_A     8.993     0    0.064   0.144     9.721    2.262    3.074
LGA    L   119_A      L   119_A     7.995     0    0.083   1.145     9.325    4.286    5.655
LGA    A   120_A      A   120_A    10.855     0    0.223   0.236    12.939    0.119    0.095
LGA    A   121_A      A   121_A    12.559     0    0.129   0.136    14.487    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):     2.940          2.986                  3.595           71.682   63.122

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     83    1.67    76.613    83.632     4.696

LGA_LOCAL      RMSD:   1.668  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.141  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.940  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.168606 * X  +   0.954793 * Y  +  -0.244830 * Z  +  16.074921
  Y_new =  -0.032489 * X  +   0.253634 * Y  +   0.966755 * Z  +  -5.401749
  Z_new =   0.985148 * X  +  -0.155047 * Y  +   0.073784 * Z  +  15.301566 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.190357 -1.398233 -1.126627   [DEG:  -10.9066  -80.1129  -64.5510 ]
ZXZ: -2.893559  1.496945  1.726900   [DEG: -165.7887   85.7686   98.9441 ]
 
# END of job
