
#######################################################
#                                                     #
#                        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       2.73     2.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      71_A - 120_A       1.98     3.03
  LCS_AVERAGE:     46.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      82_A - 109_A       1.00     3.23
  LONGEST_CONTINUOUS_SEGMENT:    28      83_A - 110_A       1.00     3.36
  LCS_AVERAGE:     21.55

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     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     19   37   93     12   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     19   37   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     19   37   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     19   37   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     19   37   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     19   37   93     14   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     19   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     19   37   93     10   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     19   37   93     10   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     19   37   93      5   24   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     19   37   93      5    7   16   25   51   60   78   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     18   37   93      5    9   18   31   47   62   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     17   37   93      5   16   33   54   64   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     14   37   93      5    7   16   30   47   72   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A      6   37   93      3    4    5   11   25   54   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     12   37   93      3   14   42   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     12   37   93      3   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     12   37   93      3   14   34   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     12   37   93      5   23   42   59   70   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     12   37   93      6   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     12   37   93      6   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     12   37   93      6   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     12   37   93     11   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     12   37   93     11   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     12   37   93      4   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     12   37   93      4   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     12   37   93      6   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     11   37   93      3    8   11   13   18   50   70   82   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A      9   37   93      3    8   10   13   17   22   40   65   87   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A      9   19   93      3    8   11   22   51   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A      9   19   93      4    8   44   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A      9   19   93      4    8   11   13   20   35   66   84   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A      9   44   93      4    8   11   13   20   32   44   75   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A      9   49   93      3    8   10   13   27   44   67   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A      9   50   93      3    4   10   26   36   59   76   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     17   50   93      5   32   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     19   50   93      5   11   40   61   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     19   50   93      5   23   40   56   70   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     19   50   93      5   24   45   61   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     19   50   93      7   32   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     19   50   93      9   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     19   50   93      5   20   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     19   50   93      7   19   52   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     21   50   93     16   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     21   50   93     14   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     28   50   93      6   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     28   50   93      6   24   40   61   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     28   50   93      6   20   37   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     28   50   93      7   28   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     28   50   93      7   28   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     28   50   93      7   18   31   53   70   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     28   50   93      3   18   31   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     28   50   93      5   26   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     28   50   93      5   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     28   50   93      7   28   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     28   50   93      7   28   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     28   50   93      7   28   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     28   50   93     12   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     28   50   93     10   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     28   50   93     16   36   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     28   50   93      7   33   55   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     28   50   93      7   28   54   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     28   50   93      4   24   52   63   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     28   50   93      5   23   43   61   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     26   50   93      6   23   42   61   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     24   50   93      4   18   37   61   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     22   50   93      5   18   33   52   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     22   50   93      5   18   33   52   69   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     22   50   93      5   18   31   44   65   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     22   50   93      5   22   33   49   66   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     22   50   93      6   22   34   52   71   79   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     22   50   93      5   18   29   44   64   77   81   86   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     22   50   93      5   18   31   41   54   72   81   85   90   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     22   50   93      5   14   26   41   47   54   64   83   87   90   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A      0   40   93      0    0    2    3    3    9   14   28   39   48   61   78   86   88   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  56.16  (  21.55   46.93  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     16     36     55     63     71     79     81     86     90     91     92     92     92     92     93     93     93     93     93     93 
GDT PERCENT_AT  17.20  38.71  59.14  67.74  76.34  84.95  87.10  92.47  96.77  97.85  98.92  98.92  98.92  98.92 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.71   1.02   1.23   1.57   1.83   1.91   2.14   2.34   2.41   2.46   2.46   2.46   2.46   2.73   2.73   2.73   2.73   2.73   2.73
GDT RMS_ALL_AT   3.24   3.49   3.22   3.12   2.87   2.81   2.78   2.78   2.76   2.76   2.74   2.74   2.74   2.74   2.73   2.73   2.73   2.73   2.73   2.73

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   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    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:  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
#   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     1.211     0    0.273   1.024     4.156   79.881   70.952
LGA    I    30_A      I    30_A     1.281     0    0.041   0.878     3.554   81.429   80.238
LGA    D    31_A      D    31_A     1.258     0    0.030   1.014     4.483   81.429   68.095
LGA    E    32_A      E    32_A     0.757     0    0.022   0.676     3.633   88.214   76.667
LGA    I    33_A      I    33_A     0.923     0    0.019   0.623     1.655   85.952   84.881
LGA    I    34_A      I    34_A     1.534     0    0.112   1.245     2.816   79.286   71.250
LGA    E    35_A      E    35_A     1.446     0    0.083   0.626     3.086   77.143   72.328
LGA    N    36_A      N    36_A     1.668     0    0.027   0.771     3.136   72.857   68.095
LGA    R    37_A      R    37_A     1.875     0    0.084   1.225     3.935   75.000   71.818
LGA    K    38_A      K    38_A     1.565     0    0.130   1.317     7.539   75.000   54.392
LGA    L    39_A      L    39_A     0.908     0    0.053   0.192     1.631   88.214   81.607
LGA    L    40_A      L    40_A     0.980     0    0.038   0.122     1.799   90.476   83.810
LGA    V    41_A      V    41_A     0.851     0    0.066   1.176     3.153   90.476   82.109
LGA    P    42_A      P    42_A     0.711     0    0.038   0.256     0.913   90.476   90.476
LGA    Y    43_A      Y    43_A     0.793     0    0.061   0.222     1.416   85.952   85.952
LGA    I    44_A      I    44_A     1.034     0    0.045   0.178     1.217   83.690   82.560
LGA    K    45_A      K    45_A     0.824     0    0.048   0.260     3.063   85.952   80.106
LGA    C    46_A      C    46_A     1.439     0    0.070   0.242     2.137   73.095   71.667
LGA    T    47_A      T    47_A     3.528     0    0.175   1.026     6.634   43.810   35.170
LGA    L    48_A      L    48_A     4.045     0    0.240   1.403     8.484   41.905   29.524
LGA    D    49_A      D    49_A     3.261     0    0.061   1.023     6.796   46.667   35.238
LGA    Q    50_A      Q    50_A     4.048     0    0.161   1.374     9.529   37.262   23.862
LGA    G    51_A      G    51_A     4.259     0    0.596   0.596     5.006   35.952   35.952
LGA    R    52_A      R    52_A     2.526     0    0.307   1.441    11.320   69.048   37.489
LGA    C    53_A      C    53_A     1.474     0    0.097   0.108     1.880   75.000   75.714
LGA    T    54_A      T    54_A     2.373     0    0.031   1.093     3.781   68.810   65.170
LGA    P    55_A      P    55_A     3.115     0    0.038   0.084     4.019   55.357   49.320
LGA    E    56_A      E    56_A     1.909     0    0.076   1.349     4.361   70.833   63.704
LGA    G    57_A      G    57_A     1.281     0    0.036   0.036     1.499   81.429   81.429
LGA    R    58_A      R    58_A     1.984     0    0.109   1.434     7.109   72.857   55.108
LGA    E    59_A      E    59_A     2.251     0    0.047   1.099     6.360   64.762   53.175
LGA    L    60_A      L    60_A     1.957     0    0.083   1.164     3.309   70.833   67.976
LGA    K    61_A      K    61_A     1.126     0    0.075   0.996     3.160   81.429   71.640
LGA    A    62_A      A    62_A     1.292     0    0.114   0.113     1.462   81.429   81.429
LGA    H    63_A      H    63_A     2.251     0    0.088   0.345     4.449   62.976   51.952
LGA    I    64_A      I    64_A     4.717     0    0.042   0.676     8.107   34.762   23.988
LGA    K    65_A      K    65_A     6.026     0    0.149   0.816     9.042   24.048   14.974
LGA    D    66_A      D    66_A     3.562     0    0.062   0.184     5.092   50.238   43.214
LGA    A    67_A      A    67_A     2.410     0    0.067   0.066     3.292   57.381   55.905
LGA    M    68_A      M    68_A     5.390     0    0.152   0.775     6.678   25.476   22.440
LGA    Q    69_A      Q    69_A     5.958     0    0.284   0.876    10.120   23.810   13.651
LGA    T    70_A      T    70_A     4.938     0    0.245   0.983     7.326   32.857   25.714
LGA    S    71_A      S    71_A     4.490     0    0.631   0.667     8.896   43.452   31.111
LGA    C    72_A      C    72_A     0.982     0    0.111   0.481     2.195   81.786   78.889
LGA    S    73_A      S    73_A     2.050     0    0.058   0.694     2.780   67.024   69.286
LGA    K    74_A      K    74_A     2.668     0    0.201   0.560     3.622   55.595   56.455
LGA    C    75_A      C    75_A     1.626     0    0.139   0.434     1.723   77.143   77.143
LGA    T    76_A      T    76_A     0.908     0    0.044   0.997     2.124   88.214   80.544
LGA    E    77_A      E    77_A     1.528     0    0.043   1.666     8.831   79.286   48.254
LGA    K    78_A      K    78_A     1.686     4    0.047   0.069     2.248   77.143   41.481
LGA    Q    79_A      Q    79_A     1.194     0    0.116   0.868     3.405   85.952   70.952
LGA    K    80_A      K    80_A     1.153     0    0.024   0.207     1.879   81.548   77.672
LGA    K    81_A      K    81_A     1.410     4    0.035   0.047     1.541   81.429   44.286
LGA    G    82_A      G    82_A     1.132     0    0.030   0.030     1.260   81.429   81.429
LGA    A    83_A      A    83_A     2.059     0    0.057   0.055     2.719   66.786   64.857
LGA    R    84_A      R    84_A     2.346     0    0.047   1.160     6.169   62.857   47.273
LGA    K    85_A      K    85_A     1.551     0    0.072   0.981     2.115   75.000   76.772
LGA    V    86_A      V    86_A     1.531     0    0.069   0.190     1.951   75.000   74.082
LGA    V    87_A      V    87_A     2.681     0    0.033   1.225     5.865   59.048   51.088
LGA    R    88_A      R    88_A     2.443     0    0.092   1.570     4.586   68.810   54.675
LGA    H    89_A      H    89_A     0.847     0    0.052   1.227     5.671   88.214   62.857
LGA    I    90_A      I    90_A     1.456     0    0.051   1.338     4.343   81.429   71.667
LGA    R    91_A      R    91_A     0.763     0    0.056   1.263     8.570   92.976   55.801
LGA    A    92_A      A    92_A     0.277     0    0.053   0.052     1.005   92.976   92.476
LGA    K    93_A      K    93_A     1.171     0    0.140   1.241     5.596   83.690   59.524
LGA    E    94_A      E    94_A     1.148     0    0.093   0.375     2.097   79.286   76.720
LGA    Q    95_A      Q    95_A     1.285     4    0.039   0.065     1.397   81.429   45.238
LGA    E    96_A      E    96_A     1.596     0    0.059   1.272     4.789   75.000   64.021
LGA    Y    97_A      Y    97_A     1.474     0    0.059   0.485     2.464   79.286   76.587
LGA    W    98_A      W    98_A     1.675     0    0.047   0.548     2.790   72.857   68.299
LGA    K    99_A      K    99_A     1.786     0    0.045   1.008     5.098   72.857   64.656
LGA    Q   100_A      Q   100_A     1.809     0    0.044   0.727     3.500   72.857   68.519
LGA    I   101_A      I   101_A     1.838     0    0.036   0.621     3.084   72.857   68.988
LGA    L   102_A      L   102_A     1.845     0    0.046   0.830     3.335   72.857   67.024
LGA    A   103_A      A   103_A     1.870     0    0.042   0.045     1.964   72.857   72.857
LGA    K   104_A      K   104_A     1.863     0    0.026   0.914     4.872   72.857   63.069
LGA    Y   105_A      Y   105_A     1.919     0    0.202   0.201     2.513   70.833   66.151
LGA    D   106_A      D   106_A     1.901     0    0.137   0.451     3.161   72.857   69.048
LGA    P   107_A      P   107_A     1.338     0    0.099   0.294     1.520   79.286   81.497
LGA    E   108_A      E   108_A     1.426     0    0.198   0.976     3.732   83.690   66.720
LGA    D   109_A      D   109_A     0.725     0    0.151   0.521     1.849   83.810   86.012
LGA    Q   110_A      Q   110_A     1.923     0    0.228   0.204     4.251   65.595   56.455
LGA    Y   111_A      Y   111_A     1.925     0    0.080   1.370     9.265   70.833   43.532
LGA    K   112_A      K   112_A     1.917     0    0.082   0.954     3.025   65.000   61.534
LGA    E   113_A      E   113_A     3.150     0    0.016   0.763     6.156   50.119   38.519
LGA    N   114_A      N   114_A     3.228     0    0.120   0.172     3.642   50.000   49.167
LGA    Y   115_A      Y   115_A     3.355     0    0.122   0.928     6.330   50.000   39.841
LGA    E   116_A      E   116_A     3.256     0    0.050   1.256     6.531   50.000   38.466
LGA    T   117_A      T   117_A     3.059     0    0.064   1.319     4.474   48.452   50.408
LGA    F   118_A      F   118_A     3.811     0    0.039   0.488     4.536   41.905   40.606
LGA    L   119_A      L   119_A     4.285     0    0.221   0.264     4.605   35.714   38.750
LGA    A   120_A      A   120_A     5.741     0    0.637   0.604     8.099   14.881   14.571
LGA    A   121_A      A   121_A    12.226     0    0.135   0.122    16.027    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):     2.734          2.781                  3.436           67.723   59.533

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     86    2.14    74.731    72.580     3.844

LGA_LOCAL      RMSD:   2.137  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.776  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.734  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.963112 * X  +   0.055773 * Y  +  -0.263259 * Z  +  16.620232
  Y_new =   0.248686 * X  +  -0.558246 * Y  +   0.791528 * Z  +  -5.448308
  Z_new =  -0.102818 * X  +  -0.827799 * Y  +  -0.551523 * Z  +  13.650597 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.252692  0.103000 -2.158512   [DEG:   14.4782    5.9014 -123.6736 ]
ZXZ: -2.820506  2.154985 -3.018019   [DEG: -161.6031  123.4715 -172.9198 ]
 
# END of job
