
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    98      17_A - 114_A       4.91     6.69
  LCS_AVERAGE:     91.22

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      49_A - 89_A        1.97     7.82
  LONGEST_CONTINUOUS_SEGMENT:    41      50_A - 90_A        1.93     7.73
  LCS_AVERAGE:     22.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      57_A - 85_A        0.82     8.67
  LCS_AVERAGE:     13.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      8   14   98      6    7   20   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     E    18_A     E    18_A      8   14   98      6    7   15   32   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     E    19_A     E    19_A      8   14   98      6    8   14   20   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     M    20_A     M    20_A      8   14   98      6    7   20   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N    21_A     N    21_A      8   14   98      6    7   11   20   41   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    22_A     K    22_A      8   14   98      6    7   11   20   39   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     V    23_A     V    23_A      8   14   98      3    6   11   20   40   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    24_A     H    24_A      8   14   98      3    6   11   20   34   46   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N    25_A     N    25_A      6   14   98      3    5   11   20   31   39   48   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     I    26_A     I    26_A      6   14   98      3    5    6   10   21   28   43   50   66   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    27_A     K    27_A      6   14   98      3    6   11   20   34   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     C    28_A     C    28_A      6   14   98      3    7   11   17   30   44   57   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    29_A     H    29_A      6   14   98      3    7   18   34   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     F    30_A     F    30_A      6   14   98      3    5    9   20   32   49   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     D    31_A     D    31_A      3    9   98      3    3    8   22   36   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N    32_A     N    32_A      4    7   98      3    4    8   22   36   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     C    33_A     C    33_A      5    8   98      3    4   11   17   26   38   48   59   68   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N    34_A     N    34_A      5    8   98      3    6   17   33   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     R    35_A     R    35_A      5    8   98      3    6   11   20   30   41   55   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    36_A     K    36_A      5    8   98      3    5   11   26   41   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     I    37_A     I    37_A      5    8   98      3    4   10   15   20   29   43   47   56   70   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    38_A     H    38_A      4    8   98      3    4    9   18   31   44   57   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     W    39_A     W    39_A      5    8   98      4    9   14   29   42   50   60   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    40_A     K    40_A      5    8   98      4    8   23   33   42   50   54   62   69   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     I    41_A     I    41_A      5    8   98      4    4    5    6   12   26   44   54   58   65   73   79   85   89   91   92   93   93   93   93 
LCS_GDT     R    42_A     R    42_A      5    8   98      4    4    7   25   38   49   53   60   64   71   78   84   88   91   91   92   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A      5    8   98      3    6   14   33   42   50   57   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     G    44_A     G    44_A      4   18   98      3    4    9   17   32   48   53   60   64   71   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    45_A     K    45_A      4   18   98      3    4   24   30   42   50   54   62   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     L    46_A     L    46_A     15   18   98      7   13   15   20   21   27   32   45   61   70   79   84   87   91   91   92   93   93   93   93 
LCS_GDT     R    47_A     R    47_A     15   18   98      8   13   15   20   25   31   43   53   66   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     15   18   98      8   13   15   20   26   32   50   56   66   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     V    49_A     V    49_A     15   41   98      8   13   15   20   27   46   53   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     D    50_A     D    50_A     15   41   98      8   13   15   22   40   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    51_A     H    51_A     15   41   98      8   13   15   26   42   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     A    52_A     A    52_A     15   41   98      8   13   15   26   42   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     L    53_A     L    53_A     15   41   98      8   13   15   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     S    54_A     S    54_A     15   41   98      7   13   19   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    55_A     H    55_A     15   41   98      7   13   19   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Q    56_A     Q    56_A     15   41   98      4   13   21   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     E    57_A     E    57_A     29   41   98     11   24   28   34   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     E    58_A     E    58_A     29   41   98     10   24   28   33   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    59_A     K    59_A     29   41   98     10   24   28   34   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     S    60_A     S    60_A     29   41   98      6   17   28   31   41   50   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     I    61_A     I    61_A     29   41   98      6   23   28   34   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     D    62_A     D    62_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     C    63_A     C    63_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Q    64_A     Q    64_A     29   41   98      4   18   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     C    66_A     C    66_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     E    67_A     E    67_A     29   41   98      5   22   28   34   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Y    68_A     Y    68_A     29   41   98      9   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     S    69_A     S    69_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     C    70_A     C    70_A     29   41   98      9   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Q    71_A     Q    71_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     T    72_A     T    72_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     T    73_A     T    73_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     R    74_A     R    74_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Q    75_A     Q    75_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     M    76_A     M    76_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     R    77_A     R    77_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Y    78_A     Y    78_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    79_A     H    79_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Y    80_A     Y    80_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    82_A     K    82_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     I    83_A     I    83_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     H    84_A     H    84_A     29   41   98     10   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     A    85_A     A    85_A     29   41   98     11   24   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N    86_A     N    86_A      3   41   98      3    3    6   11   41   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     L    87_A     L    87_A      5   41   98      4    9   13   23   40   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     K    88_A     K    88_A      6   41   98      5   16   27   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     M    89_A     M    89_A      6   41   98      5   21   28   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     E    90_A     E    90_A      6   41   98      4   19   28   33   40   52   60   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     G    91_A     G    91_A      6   39   98      4    5    8    8   11   33   42   53   65   75   78   84   88   91   91   92   93   93   93   93 
LCS_GDT     F    92_A     F    92_A      6   10   98      4    5    8    9   24   36   45   54   67   75   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     G    93_A     G    93_A      8   10   98      5    6    8   10   13   21   28   39   49   62   69   73   80   86   89   92   93   93   93   93 
LCS_GDT     I    94_A     I    94_A      8   10   98      5    6    8   10   14   24   37   51   64   75   78   84   88   91   91   92   93   93   93   93 
LCS_GDT     L    95_A     L    95_A      8   10   98      5    6    9   21   32   43   53   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N    96_A     N    96_A      8   10   98      5    8   16   23   34   52   60   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     I    97_A     I    97_A      8   10   98      5    6   14   22   34   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     P    98_A     P    98_A      8   10   98      3   18   27   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     L    99_A     L    99_A      8   10   98      3    6    8   21   31   48   58   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A      8   10   98      3    6    8   10   32   44   54   62   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N   101_A     N   101_A      5   10   98      8   18   27   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     T   102_A     T   102_A      4   10   98      3    6    9   17   23   31   39   52   65   75   78   84   88   91   91   92   93   93   93   93 
LCS_GDT     K   103_A     K   103_A      4   11   98      3   14   27   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     F   104_A     F   104_A     10   13   98      8   13   18   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     S   105_A     S   105_A     10   13   98      5   10   27   35   43   52   61   68   72   76   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     10   13   98      6   10   10   31   32   35   43   52   56   69   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     V   107_A     V   107_A     10   13   98      7   10   10   10   25   35   41   45   55   72   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     W   108_A     W   108_A     10   13   98      7   10   10   12   20   32   41   49   65   75   79   84   88   91   91   92   93   93   93   93 
LCS_GDT     N   109_A     N   109_A     10   13   98      7   10   10   10   14   28   37   42   48   54   59   71   84   91   91   92   93   93   93   93 
LCS_GDT     K   110_A     K   110_A     10   13   98      7   10   10   10   12   14   17   26   29   39   43   50   55   58   61   66   72   75   87   91 
LCS_GDT     C   111_A     C   111_A     10   13   98      7   10   10   10   12   14   16   21   25   34   38   45   48   57   60   66   69   73   76   79 
LCS_GDT     F   112_A     F   112_A     10   13   98      7   10   10   10   12   14   16   23   25   34   38   45   52   57   60   66   69   73   76   79 
LCS_GDT     G   113_A     G   113_A     10   13   98      7   10   10   10   12   14   21   26   31   40   49   52   56   59   64   68   72   75   85   91 
LCS_GDT     D   114_A     D   114_A      5   13   98      3    4    6   10   12   14   16   21   31   38   48   52   56   58   64   68   71   75   77   89 
LCS_GDT     Q   115_A     Q   115_A      5   13   69      3    4    5   10   12   14   16   18   22   30   38   47   52   57   60   65   69   71   76   79 
LCS_GDT     L   116_A     L   116_A      5   13   69      3    4    8   10   12   14   18   23   28   40   50   56   60   61   67   73   80   88   90   90 
LCS_GDT     K   117_A     K   117_A      5    9   68      0    4    5    5    8   10   14   17   21   28   34   42   47   49   54   59   63   70   76   86 
LCS_GDT     T   118_A     T   118_A      3    3   20      1    3    8    8   11   12   16   17   19   21   22   29   31   35   40   58   63   66   69   71 
LCS_GDT     I   119_A     I   119_A      3    3   18      0    3    3    3    3    3    5    5   15   16   18   20   22   30   37   39   43   49   60   71 
LCS_GDT     G   120_A     G   120_A      3    3   18      0    3    3    3    3    3    4    4    4    5   18   19   21   22   23   28   28   34   46   54 
LCS_AVERAGE  LCS_A:  42.36  (  13.12   22.73   91.22 )

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     11     24     28     35     43     52     61     68     72     76     79     84     88     91     91     92     93     93     93     93 
GDT PERCENT_AT  10.58  23.08  26.92  33.65  41.35  50.00  58.65  65.38  69.23  73.08  75.96  80.77  84.62  87.50  87.50  88.46  89.42  89.42  89.42  89.42
GDT RMS_LOCAL    0.32   0.62   0.76   1.41   1.62   2.02   2.34   2.55   2.69   2.91   3.03   3.35   3.58   3.77   3.77   3.86   3.94   3.94   3.94   3.94
GDT RMS_ALL_AT   7.99   8.54   8.74   7.32   7.24   6.95   6.81   6.82   6.78   6.87   6.86   6.74   6.81   6.80   6.86   6.84   6.82   6.82   6.82   6.82

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     1.984     4    0.629   0.581     4.514   66.786   34.497
LGA    E    18_A      E    18_A     1.642     4    0.110   0.121     2.420   75.000   40.529
LGA    E    19_A      E    19_A     2.407     4    0.122   0.127     3.845   68.810   35.397
LGA    M    20_A      M    20_A     2.607     0    0.079   0.961     7.345   59.167   40.893
LGA    N    21_A      N    21_A     2.504     0    0.217   1.011     4.316   63.333   53.393
LGA    K    22_A      K    22_A     2.575     0    0.332   0.498     6.314   59.286   47.884
LGA    V    23_A      V    23_A     2.505     0    0.150   0.157     3.113   67.024   63.946
LGA    H    24_A      H    24_A     3.518     0    0.094   0.143     6.451   39.167   29.095
LGA    N    25_A      N    25_A     4.746     0    0.153   0.724     8.392   42.262   28.214
LGA    I    26_A      I    26_A     5.720     0    0.094   0.623    10.049   19.762   11.012
LGA    K    27_A      K    27_A     3.242     0    0.033   0.435    12.904   57.381   32.751
LGA    C    28_A      C    28_A     4.040     0    0.137   0.867     9.122   42.143   30.556
LGA    H    29_A      H    29_A     1.301     0    0.602   0.564     8.018   83.690   44.286
LGA    F    30_A      F    30_A     3.698     0    0.661   0.821    11.491   43.214   20.043
LGA    D    31_A      D    31_A     3.373     0    0.616   0.793     7.495   53.571   36.488
LGA    N    32_A      N    32_A     3.364     0    0.621   1.266     6.280   38.571   34.821
LGA    C    33_A      C    33_A     5.388     0    0.383   0.789     9.809   34.881   25.000
LGA    N    34_A      N    34_A     0.789     0    0.579   0.502     4.807   65.833   54.286
LGA    R    35_A      R    35_A     4.540     0    0.027   1.147    15.787   50.833   19.524
LGA    K    36_A      K    36_A     2.043     0    0.361   1.315     7.774   46.071   33.439
LGA    I    37_A      I    37_A     6.592     0    0.620   1.321    12.410   25.595   13.155
LGA    H    38_A      H    38_A     4.193     0    0.170   0.194     7.122   31.667   25.619
LGA    W    39_A      W    39_A     3.510     0    0.060   1.042     6.456   41.905   41.020
LGA    K    40_A      K    40_A     6.304     0    0.085   0.116     9.766   18.452   13.069
LGA    I    41_A      I    41_A     9.929     0    0.024   0.050    14.562    1.310    0.655
LGA    R    42_A      R    42_A     8.351     0    0.620   1.241    10.084    4.048    4.026
LGA    Y    43_A      Y    43_A     4.762     0    0.286   0.295     7.810   22.857   22.738
LGA    G    44_A      G    44_A     7.585     0    0.125   0.125     7.585   19.762   19.762
LGA    K    45_A      K    45_A     5.469     0    0.727   1.024     9.961   18.571   11.164
LGA    L    46_A      L    46_A     6.767     0    0.531   1.234    11.337   19.524   11.190
LGA    R    47_A      R    47_A     5.901     0    0.048   1.403    11.154   24.048   16.147
LGA    L    48_A      L    48_A     5.361     0    0.020   1.108     8.116   29.048   20.298
LGA    V    49_A      V    49_A     4.243     0    0.019   0.045     5.252   40.476   36.667
LGA    D    50_A      D    50_A     3.117     0    0.030   0.260     4.713   53.810   45.655
LGA    H    51_A      H    51_A     2.763     0    0.043   0.229     3.358   59.048   53.619
LGA    A    52_A      A    52_A     2.599     0    0.014   0.020     2.910   62.976   61.810
LGA    L    53_A      L    53_A     1.780     0    0.108   1.394     3.446   75.119   67.143
LGA    S    54_A      S    54_A     1.230     0    0.135   0.696     1.572   81.429   80.000
LGA    H    55_A      H    55_A     1.391     0    0.196   0.193     2.887   81.429   70.714
LGA    Q    56_A      Q    56_A     0.983     0    0.635   1.057     6.141   81.786   56.720
LGA    E    57_A      E    57_A     2.409     4    0.126   0.138     2.589   62.857   34.286
LGA    E    58_A      E    58_A     3.059     4    0.053   0.064     3.310   55.357   30.159
LGA    K    59_A      K    59_A     2.556     0    0.073   0.551     2.809   57.143   64.127
LGA    S    60_A      S    60_A     3.456     0    0.226   0.301     4.858   55.476   47.460
LGA    I    61_A      I    61_A     2.500     0    0.137   0.691     3.814   62.857   57.381
LGA    D    62_A      D    62_A     1.103     0    0.038   0.794     3.553   81.429   69.702
LGA    C    63_A      C    63_A     0.950     0    0.189   0.241     1.819   83.810   86.032
LGA    Q    64_A      Q    64_A     2.059     0    0.044   1.260     6.222   64.881   49.048
LGA    K    65_A      K    65_A     1.499     0    0.082   0.240     3.522   79.286   67.249
LGA    C    66_A      C    66_A     1.400     0    0.733   0.665     2.741   75.357   77.381
LGA    E    67_A      E    67_A     2.488     4    0.160   0.160     3.516   70.952   36.349
LGA    Y    68_A      Y    68_A     1.275     0    0.138   0.269     4.119   81.548   65.714
LGA    S    69_A      S    69_A     1.175     0    0.086   0.646     3.058   81.429   74.762
LGA    C    70_A      C    70_A     1.799     0    0.086   0.741     2.483   72.976   70.238
LGA    Q    71_A      Q    71_A     1.852     0    0.029   0.115     2.132   70.833   71.958
LGA    T    72_A      T    72_A     2.070     0    0.024   1.053     3.966   68.810   64.082
LGA    T    73_A      T    73_A     2.222     0    0.067   1.135     5.002   64.762   60.544
LGA    R    74_A      R    74_A     2.780     0    0.023   1.882     6.406   57.143   52.294
LGA    Q    75_A      Q    75_A     2.017     0    0.019   0.202     2.298   68.810   70.159
LGA    M    76_A      M    76_A     1.588     0    0.043   1.233     5.798   72.857   64.881
LGA    R    77_A      R    77_A     2.127     0    0.022   0.694     3.179   66.786   64.199
LGA    Y    78_A      Y    78_A     2.420     0    0.037   0.077     2.653   64.762   63.492
LGA    H    79_A      H    79_A     1.850     0    0.019   0.064     2.082   68.810   75.524
LGA    Y    80_A      Y    80_A     2.144     0    0.029   1.015     4.797   62.976   57.063
LGA    K    81_A      K    81_A     3.081     0    0.021   0.949     3.926   53.571   54.921
LGA    K    82_A      K    82_A     2.398     0    0.024   0.319     2.529   62.857   64.868
LGA    I    83_A      I    83_A     2.066     0    0.064   0.100     2.420   64.762   68.810
LGA    H    84_A      H    84_A     3.041     0    0.291   0.436     4.752   45.476   54.762
LGA    A    85_A      A    85_A     3.192     0    0.310   0.305     4.234   50.357   47.714
LGA    N    86_A      N    86_A     2.872     3    0.531   0.513     5.038   54.524   30.536
LGA    L    87_A      L    87_A     3.366     0    0.658   0.919     8.294   59.643   36.012
LGA    K    88_A      K    88_A     1.318     0    0.038   0.684     6.843   77.143   57.407
LGA    M    89_A      M    89_A     1.274     0    0.690   0.794     4.646   69.286   57.381
LGA    E    90_A      E    90_A     3.550     0    0.137   0.547     5.317   39.524   36.984
LGA    G    91_A      G    91_A     6.691     0    0.262   0.262     6.691   15.357   15.357
LGA    F    92_A      F    92_A     5.896     0    0.481   1.220     7.371   15.476   36.364
LGA    G    93_A      G    93_A     8.111     0    0.339   0.339     8.111    9.524    9.524
LGA    I    94_A      I    94_A     6.463     0    0.017   1.263     9.264   21.190   14.583
LGA    L    95_A      L    95_A     4.280     0    0.059   0.094     5.806   42.619   34.583
LGA    N    96_A      N    96_A     3.768     0    0.088   1.088     6.029   43.333   34.286
LGA    I    97_A      I    97_A     3.573     0    0.125   0.622     8.918   52.143   36.429
LGA    P    98_A      P    98_A     0.679     0    0.138   0.135     3.288   85.952   73.673
LGA    L    99_A      L    99_A     3.760     0    0.165   1.266     6.716   43.690   36.131
LGA    Q   100_A      Q   100_A     4.900     0    0.550   0.843     9.292   30.357   20.952
LGA    N   101_A      N   101_A     1.824     0    0.702   0.968     4.025   64.881   58.750
LGA    T   102_A      T   102_A     5.692     0    0.023   0.198     9.538   30.476   18.367
LGA    K   103_A      K   103_A     2.382     0    0.065   0.869     4.509   71.667   60.000
LGA    F   104_A      F   104_A     2.158     0    0.587   0.796     8.583   75.119   37.013
LGA    S   105_A      S   105_A     1.576     0    0.042   0.675     4.199   56.190   57.778
LGA    D   106_A      D   106_A     6.995     0    0.028   0.342    12.360   13.095    6.964
LGA    V   107_A      V   107_A     6.976     0    0.016   1.127     9.075   10.476   15.238
LGA    W   108_A      W   108_A     7.001     0    0.051   0.486    13.258    7.976    5.272
LGA    N   109_A      N   109_A     9.404     0    0.041   0.869    12.799    2.143    2.976
LGA    K   110_A      K   110_A    13.283     0    0.044   0.929    19.411    0.000    0.000
LGA    C   111_A      C   111_A    14.321     0    0.118   0.133    17.432    0.000    0.000
LGA    F   112_A      F   112_A    15.574     0    0.063   0.230    17.852    0.000    0.000
LGA    G   113_A      G   113_A    14.160     0    0.456   0.456    14.553    0.000    0.000
LGA    D   114_A      D   114_A    15.653     3    0.101   0.117    17.064    0.000    0.000
LGA    Q   115_A      Q   115_A    18.140     0    0.079   0.987    24.130    0.000    0.000
LGA    L   116_A      L   116_A    14.610     0    0.645   1.282    15.432    0.000    0.000
LGA    K   117_A      K   117_A    18.503     0    0.569   1.029    24.660    0.000    0.000
LGA    T   118_A      T   118_A    20.469     0    0.611   1.181    22.064    0.000    0.000
LGA    I   119_A      I   119_A    21.411     0    0.539   1.401    22.980    0.000    0.000
LGA    G   120_A      G   120_A    22.101     0    0.020   0.020    22.101    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     6.515          6.487                  7.056           46.061   37.932

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     68    2.55    52.644    47.553     2.571

LGA_LOCAL      RMSD:   2.545  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.817  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   6.515  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.487091 * X  +  -0.843750 * Y  +   0.225452 * Z  + -39.309135
  Y_new =   0.448691 * X  +  -0.020292 * Y  +   0.893457 * Z  + -13.121915
  Z_new =  -0.749279 * X  +   0.536353 * Y  +   0.388467 * Z  +  -2.869413 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.397207  0.846973  0.943963   [DEG:  137.3498   48.5280   54.0851 ]
ZXZ:  2.894416  1.171829 -0.949529   [DEG:  165.8378   67.1409  -54.4040 ]
 
# END of job
