
#######################################################
#                                                     #
#                        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       2.87     2.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      72_A - 118_A       1.98     3.18
  LONGEST_CONTINUOUS_SEGMENT:    47      73_A - 119_A       1.98     3.20
  LONGEST_CONTINUOUS_SEGMENT:    47      74_A - 120_A       1.96     3.26
  LONGEST_CONTINUOUS_SEGMENT:    47      75_A - 121_A       1.97     3.24
  LCS_AVERAGE:     42.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      75_A - 96_A        0.98     4.77
  LONGEST_CONTINUOUS_SEGMENT:    22      76_A - 97_A        1.00     4.27
  LONGEST_CONTINUOUS_SEGMENT:    22     100_A - 121_A       0.98     3.80
  LCS_AVERAGE:     19.69

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     13   31   93      4   11   12   27   46   59   73   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     15   31   93      7   12   20   29   46   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     15   31   93      7   13   17   29   46   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     15   31   93      7   11   17   29   46   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     15   31   93      7   13   20   29   46   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     15   31   93      7   15   18   29   46   59   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     15   31   93      7   13   18   29   46   57   70   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     15   31   93      4   13   18   29   37   51   58   73   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     15   31   93      4   13   18   29   37   51   58   73   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     15   31   93      7   13   20   29   46   54   68   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     15   31   93      5   13   18   29   46   59   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     15   31   93      7   13   19   29   46   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     15   31   93      5   13   18   34   48   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     15   31   93      5    8   25   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     15   31   93      5   13   20   40   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     15   31   93      5   13   16   29   37   59   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     13   31   93      5    6   11   19   34   50   72   83   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A      6   31   93      5    6    9   31   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A      7   31   93      5   21   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A      7   31   93      4    7   18   32   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A      7   31   93      3    7   18   33   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A      7   31   93      3    7   18   29   48   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A      7   31   93      3   13   18   29   45   61   75   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     14   31   93      3    7   18   29   53   61   73   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     18   31   93      3    7   18   29   53   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     18   31   93      4   15   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     18   31   93      8   15   23   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     18   31   93      6   15   18   32   47   62   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     18   31   93      6   15   18   37   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     18   31   93      7   21   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     18   31   93      8   19   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     18   31   93      7   15   18   23   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     18   25   93      8   15   18   25   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     18   25   93      8   15   18   40   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     18   25   93      5   21   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     18   25   93      8   15   18   24   32   60   75   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     18   25   93      8   15   18   20   28   47   68   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     18   25   93      8   15   18   34   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     18   25   93      8   21   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     18   25   93      8   15   18   20   30   47   74   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     18   25   93      7   15   18   20   29   48   72   85   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     18   42   93      5    5   18   25   48   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A      7   42   93      3    6   11   28   34   49   56   73   87   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A      7   47   93      5   14   31   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A      7   47   93      5    6   10   16   34   59   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     20   47   93      5   15   24   33   41   49   65   84   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     22   47   93      5    6   29   36   49   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     22   47   93      7   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     22   47   93     13   21   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     22   47   93      7   18   20   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     22   47   93      8   18   30   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     22   47   93      8   20   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     22   47   93      8   18   30   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     22   47   93      8   20   30   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     22   47   93      8   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     22   47   93      8   18   25   40   50   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     22   47   93      8   18   20   40   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     22   47   93      8   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     22   47   93      8   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     22   47   93      8   18   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     22   47   93      8   18   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     22   47   93      8   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     21   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     21   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     22   47   93     11   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     22   47   93     13   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     22   47   93      9   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     22   47   93      9   22   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     22   47   93      4   11   32   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     22   47   93      4   15   30   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     22   47   93      4   15   30   43   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     22   47   93      4   11   22   36   53   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     22   47   93      4   10   22   33   48   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     22   47   93      9   15   24   33   48   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     22   47   93      9   15   24   33   48   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     22   47   93      9   15   24   33   45   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     22   47   93      9   15   24   33   43   63   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     22   47   93      9   15   22   33   41   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     22   47   93      9   15   24   33   41   61   76   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     22   47   93      9   15   23   33   41   59   75   86   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     22   47   93      3   15   24   33   41   49   66   85   91   92   93   93   93   93   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  53.97  (  19.69   42.21  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     22     32     43     53     63     76     86     91     92     93     93     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  13.98  23.66  34.41  46.24  56.99  67.74  81.72  92.47  97.85  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.72   1.00   1.31   1.67   2.05   2.38   2.63   2.79   2.82   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87
GDT RMS_ALL_AT   3.47   3.25   3.24   3.19   3.16   3.04   2.91   2.88   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87   2.87

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  E    96_A      E    96_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  Y   111_A      Y   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     3.853     0    0.207   0.732     9.698   46.905   27.143
LGA    I    30_A      I    30_A     3.137     0    0.041   1.641     4.442   50.000   53.214
LGA    D    31_A      D    31_A     3.205     0    0.051   0.182     3.848   50.000   49.167
LGA    E    32_A      E    32_A     2.882     0    0.084   0.856     3.178   53.571   58.095
LGA    I    33_A      I    33_A     2.923     0    0.061   0.692     4.483   53.571   51.964
LGA    I    34_A      I    34_A     3.488     0    0.030   1.488     7.406   45.119   37.321
LGA    E    35_A      E    35_A     4.277     0    0.109   1.165     7.326   33.333   28.466
LGA    N    36_A      N    36_A     5.344     0    0.118   0.972     6.193   28.810   24.583
LGA    R    37_A      R    37_A     5.082     0    0.093   1.453     7.472   31.786   27.359
LGA    K    38_A      K    38_A     4.384     0    0.147   1.034     8.337   38.810   28.201
LGA    L    39_A      L    39_A     3.319     0    0.048   0.094     5.068   53.810   43.452
LGA    L    40_A      L    40_A     2.925     0    0.036   1.387     4.020   59.167   53.988
LGA    V    41_A      V    41_A     2.140     0    0.044   0.156     2.847   66.786   64.830
LGA    P    42_A      P    42_A     1.713     0    0.082   0.595     3.016   69.286   66.259
LGA    Y    43_A      Y    43_A     1.891     0    0.254   1.471     9.631   70.952   47.143
LGA    I    44_A      I    44_A     3.544     0    0.174   0.985     6.678   45.000   34.167
LGA    K    45_A      K    45_A     4.716     0    0.074   1.387    14.206   37.262   19.524
LGA    C    46_A      C    46_A     2.831     0    0.055   0.890     3.171   57.262   57.302
LGA    T    47_A      T    47_A     1.242     0    0.181   1.258     2.594   75.000   70.680
LGA    L    48_A      L    48_A     2.751     0    0.555   0.483     4.945   56.071   49.167
LGA    D    49_A      D    49_A     2.871     0    0.352   0.483     5.030   47.262   44.881
LGA    Q    50_A      Q    50_A     3.470     0    0.585   0.880     4.968   45.119   40.794
LGA    G    51_A      G    51_A     3.619     0    0.203   0.203     4.282   41.786   41.786
LGA    R    52_A      R    52_A     3.797     0    0.126   1.395     9.635   46.667   28.355
LGA    C    53_A      C    53_A     3.338     0    0.224   0.293     5.141   55.476   48.571
LGA    T    54_A      T    54_A     1.433     0    0.125   0.202     2.735   79.286   74.286
LGA    P    55_A      P    55_A     2.315     0    0.039   0.083     3.351   66.786   60.612
LGA    E    56_A      E    56_A     3.365     0    0.040   0.771     4.952   53.571   41.905
LGA    G    57_A      G    57_A     2.734     0    0.025   0.025     2.734   59.048   59.048
LGA    R    58_A      R    58_A     1.615     0    0.080   0.953     1.812   75.000   77.576
LGA    E    59_A      E    59_A     1.929     0    0.045   0.740     3.351   68.810   61.534
LGA    L    60_A      L    60_A     3.184     0    0.043   0.791     7.627   53.571   36.488
LGA    K    61_A      K    61_A     3.139     0    0.057   1.415    12.710   53.571   31.058
LGA    A    62_A      A    62_A     2.083     0    0.052   0.048     2.443   70.833   69.619
LGA    H    63_A      H    63_A     2.275     0    0.100   0.328     4.004   66.786   54.810
LGA    I    64_A      I    64_A     3.645     0    0.064   0.106     6.572   46.786   34.345
LGA    K    65_A      K    65_A     4.193     0    0.049   1.029    14.156   43.452   23.651
LGA    D    66_A      D    66_A     2.449     0    0.057   0.908     6.844   64.881   46.667
LGA    A    67_A      A    67_A     1.773     0    0.053   0.052     2.992   70.952   68.190
LGA    M    68_A      M    68_A     3.846     0    0.062   1.065     4.740   42.024   39.702
LGA    Q    69_A      Q    69_A     4.046     0    0.543   1.296     8.040   37.500   28.413
LGA    T    70_A      T    70_A     2.859     0    0.440   0.800     5.983   42.976   40.068
LGA    S    71_A      S    71_A     5.661     0    0.400   0.401     9.460   27.024   19.048
LGA    C    72_A      C    72_A     2.737     0    0.142   0.732     5.042   65.357   53.175
LGA    S    73_A      S    73_A     3.703     0    0.058   0.210     5.959   47.738   39.762
LGA    K    74_A      K    74_A     5.212     0    0.265   0.732    12.617   30.476   15.979
LGA    C    75_A      C    75_A     3.145     0    0.126   0.899     5.847   61.190   49.603
LGA    T    76_A      T    76_A     1.981     0    0.072   1.165     4.735   70.833   64.762
LGA    E    77_A      E    77_A     2.210     0    0.072   0.924     7.080   64.762   44.127
LGA    K    78_A      K    78_A     2.623     4    0.022   0.030     3.225   62.857   33.492
LGA    Q    79_A      Q    79_A     2.194     0    0.093   0.679     3.957   68.810   57.672
LGA    K    80_A      K    80_A     1.589     0    0.037   0.664     2.922   72.857   67.566
LGA    K    81_A      K    81_A     1.891     4    0.042   0.042     2.419   72.857   39.577
LGA    G    82_A      G    82_A     1.954     0    0.038   0.038     1.954   72.857   72.857
LGA    A    83_A      A    83_A     2.068     0    0.072   0.072     2.566   70.833   68.095
LGA    R    84_A      R    84_A     1.840     0    0.025   1.218     2.929   70.833   65.671
LGA    K    85_A      K    85_A     1.819     0    0.011   0.808     4.106   72.857   61.323
LGA    V    86_A      V    86_A     1.735     0    0.059   0.115     2.175   68.810   67.075
LGA    V    87_A      V    87_A     2.914     0    0.042   0.055     3.813   57.262   52.245
LGA    R    88_A      R    88_A     3.028     0    0.073   1.037     6.562   57.262   43.506
LGA    H    89_A      H    89_A     1.498     0    0.048   1.305     6.817   75.000   54.238
LGA    I    90_A      I    90_A     2.164     0    0.024   0.108     2.733   64.762   61.905
LGA    R    91_A      R    91_A     2.495     0    0.046   1.131     4.382   62.857   60.260
LGA    A    92_A      A    92_A     2.384     0    0.037   0.053     2.460   64.762   64.762
LGA    K    93_A      K    93_A     1.556     0    0.147   1.022     5.089   72.857   63.545
LGA    E    94_A      E    94_A     1.860     0    0.056   0.236     2.210   68.810   72.063
LGA    Q    95_A      Q    95_A     2.181     4    0.057   0.059     2.349   64.762   35.979
LGA    E    96_A      E    96_A     2.345     0    0.086   1.102     5.626   66.786   51.693
LGA    Y    97_A      Y    97_A     1.867     0    0.067   1.137     8.807   72.976   42.817
LGA    W    98_A      W    98_A     1.926     0    0.049   1.512     5.096   72.857   56.769
LGA    K    99_A      K    99_A     1.593     0    0.075   0.611     3.432   75.000   70.476
LGA    Q   100_A      Q   100_A     1.084     0    0.058   0.221     2.118   83.690   77.725
LGA    I   101_A      I   101_A     1.224     0    0.053   0.146     1.657   81.429   80.357
LGA    L   102_A      L   102_A     1.462     0    0.038   1.343     4.740   81.429   70.000
LGA    A   103_A      A   103_A     0.976     0    0.028   0.029     1.165   88.214   88.667
LGA    K   104_A      K   104_A     0.768     0    0.063   0.417     1.519   88.214   85.503
LGA    Y   105_A      Y   105_A     1.198     0    0.124   0.303     2.000   77.262   79.325
LGA    D   106_A      D   106_A     1.164     0    0.080   0.255     1.882   85.952   81.548
LGA    P   107_A      P   107_A     0.429     0    0.066   0.127     1.003   95.238   91.905
LGA    E   108_A      E   108_A     0.745     0    0.120   0.529     2.597   90.595   80.000
LGA    D   109_A      D   109_A     0.922     0    0.215   0.537     2.421   81.786   83.869
LGA    Q   110_A      Q   110_A     1.765     0    0.210   0.854     4.474   67.262   57.884
LGA    Y   111_A      Y   111_A     1.488     0    0.086   0.253     3.333   77.143   68.413
LGA    K   112_A      K   112_A     2.082     0    0.062   0.761     4.071   64.881   58.519
LGA    E   113_A      E   113_A     3.295     0    0.024   0.719     7.095   50.119   33.069
LGA    N   114_A      N   114_A     3.134     0    0.063   0.079     3.477   51.786   51.786
LGA    Y   115_A      Y   115_A     2.816     0    0.130   1.119     7.529   57.143   44.206
LGA    E   116_A      E   116_A     3.022     0    0.036   0.525     3.388   51.786   56.561
LGA    T   117_A      T   117_A     3.403     0    0.061   0.954     4.795   45.119   46.667
LGA    F   118_A      F   118_A     3.567     0    0.028   1.334     6.236   45.000   39.351
LGA    L   119_A      L   119_A     3.428     0    0.129   1.213     6.960   48.333   36.905
LGA    A   120_A      A   120_A     4.163     0    0.243   0.254     4.641   35.714   36.000
LGA    A   121_A      A   121_A     4.787     0    0.129   0.135     5.696   27.619   28.381

# 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):     2.868          2.834                  3.842           60.293   52.377

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     86    2.63    65.591    64.463     3.149

LGA_LOCAL      RMSD:   2.631  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.878  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.868  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.556263 * X  +   0.815776 * Y  +  -0.158371 * Z  +  -5.452968
  Y_new =   0.405009 * X  +   0.432550 * Y  +   0.805524 * Z  +  -4.067298
  Z_new =   0.725630 * X  +   0.383941 * Y  +  -0.571008 * Z  +  39.152889 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.512263 -0.811950  2.549637   [DEG:  143.9420  -46.5213  146.0834 ]
ZXZ: -2.947462  2.178530  1.084129   [DEG: -168.8772  124.8205   62.1160 ]
 
# END of job
