
#######################################################
#                                                     #
#                        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:    52      21_A - 72_A        4.88    29.72
  LONGEST_CONTINUOUS_SEGMENT:    52      22_A - 73_A        4.71    29.78
  LONGEST_CONTINUOUS_SEGMENT:    52      23_A - 74_A        4.98    29.88
  LCS_AVERAGE:     39.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      59_A - 84_A        1.81    34.66
  LONGEST_CONTINUOUS_SEGMENT:    26      60_A - 85_A        1.82    34.50
  LCS_AVERAGE:     15.49

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      60_A - 82_A        0.95    34.38
  LONGEST_CONTINUOUS_SEGMENT:    23      61_A - 83_A        0.98    34.32
  LCS_AVERAGE:     10.95

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      3    3   13      3    3    3    3    3    3    5    7    9   10   10   11   12   13   14   14   16   18   21   22 
LCS_GDT     E    18_A     E    18_A      3    3   13      3    3    4    4    4    4    6    7    9   10   11   11   14   14   15   18   20   21   25   26 
LCS_GDT     E    19_A     E    19_A      3    7   13      3    3    4    4    6    7    7    9    9   11   11   12   14   14   17   18   20   22   25   26 
LCS_GDT     M    20_A     M    20_A      7    8   13      4    6    7    7    7    7    8   10   10   11   11   13   14   15   20   23   28   38   43   45 
LCS_GDT     N    21_A     N    21_A      7    8   52      4    6    7    7    7    7    8   10   10   15   15   23   26   37   43   45   48   51   53   57 
LCS_GDT     K    22_A     K    22_A      7    8   52      4    6    7    7    7   10   14   20   25   32   36   41   44   48   50   52   53   54   57   58 
LCS_GDT     V    23_A     V    23_A      7    8   52      4    6   13   14   21   27   31   35   37   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     H    24_A     H    24_A      7   16   52      4    6    7   11   21   27   31   35   37   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     N    25_A     N    25_A      7   16   52      7   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     I    26_A     I    26_A      7   16   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     K    27_A     K    27_A      7   16   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     C    28_A     C    28_A      7   16   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     H    29_A     H    29_A      7   16   52      3    6   20   23   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     F    30_A     F    30_A      9   16   52      6   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     D    31_A     D    31_A      9   16   52      3    4   17   22   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     N    32_A     N    32_A      9   16   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     C    33_A     C    33_A      9   16   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     N    34_A     N    34_A      9   16   52      4   10   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     R    35_A     R    35_A      9   16   52      8   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     K    36_A     K    36_A      9   16   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     I    37_A     I    37_A      9   16   52      7   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     H    38_A     H    38_A      9   16   52      7   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     W    39_A     W    39_A      5   16   52      3    4   10   19   25   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     K    40_A     K    40_A      5   16   52      3    4    5   10   18   25   30   34   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     I    41_A     I    41_A      5   10   52      3    4    5    6    8   10   12   16   21   27   36   42   45   48   51   53   54   55   57   59 
LCS_GDT     R    42_A     R    42_A      5    7   52      3    3    5    6   14   20   28   33   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     Y    43_A     Y    43_A      3   17   52      3   11   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     G    44_A     G    44_A      5   17   52      3    3    5    9   15   19   25   33   37   38   42   45   47   48   50   53   54   55   57   59 
LCS_GDT     K    45_A     K    45_A     13   17   52      4    8   13   14   17   24   31   35   37   38   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     L    46_A     L    46_A     13   17   52      4    8   13   14   17   24   31   35   37   38   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     R    47_A     R    47_A     13   17   52      6   11   15   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     L    48_A     L    48_A     13   17   52      6   11   15   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     V    49_A     V    49_A     13   17   52      6   11   18   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     D    50_A     D    50_A     13   17   52      6   15   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     H    51_A     H    51_A     13   17   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     A    52_A     A    52_A     13   17   52      6   16   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     L    53_A     L    53_A     13   17   52      6   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     S    54_A     S    54_A     13   17   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     H    55_A     H    55_A     13   17   52      9   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     Q    56_A     Q    56_A     13   17   52      5   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     E    57_A     E    57_A     13   17   52      4   17   21   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     E    58_A     E    58_A     12   25   52      4    9   18   24   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     K    59_A     K    59_A     11   26   52      4    6   13   22   28   30   32   35   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     S    60_A     S    60_A     23   26   52      8   16   20   23   24   27   30   34   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     I    61_A     I    61_A     23   26   52      8   17   21   23   24   24   25   33   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     D    62_A     D    62_A     23   26   52      6   18   21   23   24   25   30   34   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     C    63_A     C    63_A     23   26   52      8   18   21   23   24   24   27   33   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     Q    64_A     Q    64_A     23   26   52     10   17   21   23   24   24   25   27   28   33   36   38   41   43   47   49   51   53   55   57 
LCS_GDT     K    65_A     K    65_A     23   26   52     10   18   21   23   24   24   25   29   36   40   42   44   45   48   49   50   52   55   57   59 
LCS_GDT     C    66_A     C    66_A     23   26   52      9   18   21   23   24   27   30   34   38   41   42   45   47   48   49   50   54   55   57   59 
LCS_GDT     E    67_A     E    67_A     23   26   52      3   17   20   23   24   24   29   34   38   41   42   45   47   48   49   50   54   55   57   59 
LCS_GDT     Y    68_A     Y    68_A     23   26   52      8   18   21   23   28   30   32   34   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     S    69_A     S    69_A     23   26   52      8   18   21   23   28   30   32   34   38   41   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     C    70_A     C    70_A     23   26   52      8   18   21   23   28   30   32   35   37   39   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     Q    71_A     Q    71_A     23   26   52      9   18   21   23   24   29   31   35   37   39   42   45   47   48   51   53   54   55   57   59 
LCS_GDT     T    72_A     T    72_A     23   26   52      8   18   21   23   24   24   25   27   28   31   39   42   44   48   51   53   54   55   57   59 
LCS_GDT     T    73_A     T    73_A     23   26   52      8   18   21   23   24   24   25   27   28   30   31   32   35   41   47   49   54   55   57   59 
LCS_GDT     R    74_A     R    74_A     23   26   52      8   18   21   23   24   24   25   27   28   30   31   32   32   35   39   41   42   45   48   55 
LCS_GDT     Q    75_A     Q    75_A     23   26   37     10   18   21   23   24   24   25   27   28   30   31   32   37   41   46   49   52   54   56   59 
LCS_GDT     M    76_A     M    76_A     23   26   37     10   18   21   23   24   24   25   27   28   33   39   42   44   48   51   53   54   55   57   59 
LCS_GDT     R    77_A     R    77_A     23   26   37     10   18   21   23   24   24   25   27   28   30   31   32   32   35   39   41   46   52   56   59 
LCS_GDT     Y    78_A     Y    78_A     23   26   37     10   18   21   23   24   24   25   27   28   30   31   32   32   34   39   41   43   51   56   58 
LCS_GDT     H    79_A     H    79_A     23   26   37     10   18   21   23   24   24   25   27   31   36   39   42   44   48   51   53   54   55   57   59 
LCS_GDT     Y    80_A     Y    80_A     23   26   37     10   18   21   23   24   24   25   27   28   30   31   41   44   48   51   53   54   55   57   59 
LCS_GDT     K    81_A     K    81_A     23   26   37     10   18   21   23   24   24   25   27   28   30   31   32   32   34   39   41   49   54   56   59 
LCS_GDT     K    82_A     K    82_A     23   26   37     10   17   21   23   24   24   25   27   28   30   31   32   37   42   46   48   53   54   56   59 
LCS_GDT     I    83_A     I    83_A     23   26   37      4    6   20   23   24   24   25   26   32   36   39   42   44   48   51   53   54   55   57   59 
LCS_GDT     H    84_A     H    84_A      3   26   37      3    9   17   21   23   24   29   33   35   39   41   43   47   48   51   53   54   55   57   59 
LCS_GDT     A    85_A     A    85_A      5   26   37      4    4    5    6    6    7   12   20   28   32   36   41   44   48   51   53   54   55   57   59 
LCS_GDT     N    86_A     N    86_A      5    6   37      4    4   13   19   21   23   25   27   28   30   35   40   44   46   49   53   54   55   57   59 
LCS_GDT     L    87_A     L    87_A      5    6   37      4    4    5    6    6    6   10   16   20   24   28   31   34   41   44   48   51   53   57   58 
LCS_GDT     K    88_A     K    88_A      5    6   36      4    4    5    6    6    7    8   10   12   13   15   15   19   26   29   31   33   33   37   43 
LCS_GDT     M    89_A     M    89_A      5    8   33      3    4    6    6    7    8    8    9   11   12   15   15   17   18   19   21   23   24   30   35 
LCS_GDT     E    90_A     E    90_A      4    8   19      3    5    6    6    7    8    8   10   12   13   15   15   18   18   19   21   23   24   30   35 
LCS_GDT     G    91_A     G    91_A      4    8   20      3    5    6    6    7    8    8   10   12   13   15   15   18   23   23   27   28   31   33   35 
LCS_GDT     F    92_A     F    92_A      4    8   29      3    3    4    5    7    8    8   10   12   13   15   15   18   23   24   27   28   32   33   35 
LCS_GDT     G    93_A     G    93_A      4    8   29      3    4    4    5    7    8   10   11   14   17   20   23   25   26   27   28   31   32   34   36 
LCS_GDT     I    94_A     I    94_A      4    8   29      3    5    6    6    7    8   11   13   15   17   23   24   25   26   27   28   28   32   34   36 
LCS_GDT     L    95_A     L    95_A      4    8   29      3    5    6    6    7    8    8   10   12   14   16   17   19   21   27   28   28   28   28   30 
LCS_GDT     N    96_A     N    96_A      5    8   29      3    5    6    6    7    9   11   13   15   17   23   24   25   26   27   28   28   29   29   30 
LCS_GDT     I    97_A     I    97_A      5    6   29      3    4    5    6   10   12   15   17   19   20   23   24   25   26   27   28   29   32   34   36 
LCS_GDT     P    98_A     P    98_A      5   11   29      3    4    7   10   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     L    99_A     L    99_A      5   14   29      3    4    5    9   12   14   15   16   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     Q   100_A     Q   100_A      5   14   29      1    4    5    6   12   13   15   16   16   17   20   22   25   26   28   30   31   32   34   36 
LCS_GDT     N   101_A     N   101_A     12   14   29      4    8   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     T   102_A     T   102_A     12   14   29      4    8   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     K   103_A     K   103_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     F   104_A     F   104_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     S   105_A     S   105_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     D   106_A     D   106_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     V   107_A     V   107_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     W   108_A     W   108_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     N   109_A     N   109_A     12   14   29      5    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     K   110_A     K   110_A     12   14   29      4    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     C   111_A     C   111_A     12   14   29      4    9   11   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     F   112_A     F   112_A     12   14   29      3    4   10   12   12   14   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     G   113_A     G   113_A      4   12   29      3    3    4    7    8   13   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     D   114_A     D   114_A      4   10   29      3    3    5    8   12   13   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     Q   115_A     Q   115_A      4   10   29      3    4    5    8   12   13   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     L   116_A     L   116_A      4    8   29      3    4    5    7    8   13   15   17   19   20   23   24   25   26   28   30   31   32   34   36 
LCS_GDT     K   117_A     K   117_A      4    8   29      3    4    5    7    8   13   14   17   18   20   23   24   25   26   27   29   31   32   34   36 
LCS_GDT     T   118_A     T   118_A      4    6   29      3    4    5    7    8   13   15   17   19   20   23   24   25   26   27   30   31   32   34   36 
LCS_GDT     I   119_A     I   119_A      4    6   29      3    4    4    7    8   13   14   17   18   19   23   24   25   26   27   30   31   32   34   36 
LCS_GDT     G   120_A     G   120_A      3    4   29      3    3    3    3    4    8    9   13   15   18   22   24   25   26   27   28   28   31   33   35 
LCS_AVERAGE  LCS_A:  22.03  (  10.95   15.49   39.66 )

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     10     18     21     24     28     30     32     35     38     41     42     45     47     48     51     53     54     55     57     59 
GDT PERCENT_AT   9.62  17.31  20.19  23.08  26.92  28.85  30.77  33.65  36.54  39.42  40.38  43.27  45.19  46.15  49.04  50.96  51.92  52.88  54.81  56.73
GDT RMS_LOCAL    0.26   0.70   0.79   1.06   1.36   1.65   1.83   2.27   2.72   3.02   3.09   3.41   3.64   3.78   4.50   4.70   4.83   4.94   5.18   5.64
GDT RMS_ALL_AT  34.17  34.32  34.38  31.07  31.03  30.43  30.57  31.33  29.82  29.79  29.80  30.15  30.17  29.90  30.43  30.43  30.42  30.28  30.19  30.55

# Checking swapping
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    80_A      Y    80_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    34.408     4    0.655   0.615    36.052    0.000    0.000
LGA    E    18_A      E    18_A    29.600     4    0.535   0.553    31.661    0.000    0.000
LGA    E    19_A      E    19_A    25.430     4    0.663   0.593    27.394    0.000    0.000
LGA    M    20_A      M    20_A    21.882     0    0.633   1.179    25.283    0.000    0.000
LGA    N    21_A      N    21_A    16.710     0    0.526   0.767    18.797    0.000    0.000
LGA    K    22_A      K    22_A    11.251     0    0.134   1.181    14.586    0.476    0.212
LGA    V    23_A      V    23_A     4.447     0    0.050   0.093     6.595   25.833   46.054
LGA    H    24_A      H    24_A     4.242     0    0.036   1.011    11.599   49.286   21.381
LGA    N    25_A      N    25_A     2.846     0    0.635   1.177     9.720   61.071   35.655
LGA    I    26_A      I    26_A     1.942     0    0.058   1.078     3.653   70.833   64.286
LGA    K    27_A      K    27_A     1.875     0    0.061   0.736     4.252   72.857   64.021
LGA    C    28_A      C    28_A     1.182     0    0.037   0.057     2.161   75.119   83.413
LGA    H    29_A      H    29_A     2.882     0    0.303   1.275    10.537   66.905   33.524
LGA    F    30_A      F    30_A     0.357     0    0.055   0.852     2.120   83.929   81.732
LGA    D    31_A      D    31_A     2.906     0    0.616   0.966     5.029   53.333   54.524
LGA    N    32_A      N    32_A     0.791     0    0.373   0.827     4.887   79.524   63.214
LGA    C    33_A      C    33_A     0.383     0    0.514   0.575     3.226   85.119   86.905
LGA    N    34_A      N    34_A     0.941     0    0.356   1.077     2.799   83.810   76.429
LGA    R    35_A      R    35_A     1.183     0    0.088   1.102     6.042   81.548   67.056
LGA    K    36_A      K    36_A     1.478     0    0.097   0.976     5.985   81.429   67.513
LGA    I    37_A      I    37_A     1.387     0    0.040   0.072     1.868   77.143   82.679
LGA    H    38_A      H    38_A     2.502     0    0.470   1.300     7.531   64.881   42.524
LGA    W    39_A      W    39_A     3.795     0    0.036   0.838    15.260   38.333   13.503
LGA    K    40_A      K    40_A     6.405     0    0.090   0.806     7.646   15.119   19.206
LGA    I    41_A      I    41_A    10.460     0    0.540   0.706    16.910    1.905    0.952
LGA    R    42_A      R    42_A     7.085     0    0.698   0.906    12.163   16.429    7.532
LGA    Y    43_A      Y    43_A     1.203     0    0.599   1.561     8.069   61.667   38.849
LGA    G    44_A      G    44_A     5.370     0    0.361   0.361     5.370   37.500   37.500
LGA    K    45_A      K    45_A     4.367     0    0.133   1.447     4.957   38.810   40.847
LGA    L    46_A      L    46_A     3.768     0    0.107   0.791     7.269   46.667   35.357
LGA    R    47_A      R    47_A     1.691     0    0.046   1.647     8.526   79.762   52.684
LGA    L    48_A      L    48_A     1.618     0    0.055   1.490     5.740   77.143   58.631
LGA    V    49_A      V    49_A     1.326     0    0.628   0.660     3.930   67.619   67.619
LGA    D    50_A      D    50_A     0.963     0    0.149   0.712     3.109   88.214   80.952
LGA    H    51_A      H    51_A     0.809     0    0.054   0.336     1.547   86.190   86.048
LGA    A    52_A      A    52_A     1.290     0    0.032   0.047     1.417   81.429   81.429
LGA    L    53_A      L    53_A     1.118     0    0.120   0.985     3.479   85.952   79.762
LGA    S    54_A      S    54_A     1.170     0    0.080   0.074     1.366   81.429   81.429
LGA    H    55_A      H    55_A     1.154     0    0.226   0.262     1.913   79.286   82.381
LGA    Q    56_A      Q    56_A     0.508     0    0.104   1.181     5.483   92.857   75.450
LGA    E    57_A      E    57_A     1.095     4    0.328   0.333     2.869   77.262   40.688
LGA    E    58_A      E    58_A     2.451     4    0.629   0.621     4.924   56.548   30.688
LGA    K    59_A      K    59_A     2.690     0    0.591   1.420     9.385   50.595   32.751
LGA    S    60_A      S    60_A     7.390     0    0.398   0.363    10.926   10.238    6.905
LGA    I    61_A      I    61_A     8.511     0    0.071   1.254    12.419    8.690    5.833
LGA    D    62_A      D    62_A    10.211     0    0.057   0.889    12.586    0.000    0.000
LGA    C    63_A      C    63_A    10.587     0    0.089   0.186    13.458    0.119    0.794
LGA    Q    64_A      Q    64_A    16.804     0    0.061   1.056    22.565    0.000    0.000
LGA    K    65_A      K    65_A    14.596     0    0.088   0.754    17.619    0.000    0.000
LGA    C    66_A      C    66_A    11.277     0    0.693   0.640    13.049    0.000    2.460
LGA    E    67_A      E    67_A    10.885     4    0.160   0.165    11.895    0.119    0.053
LGA    Y    68_A      Y    68_A     6.410     0    0.086   1.423     7.836   14.643   37.857
LGA    S    69_A      S    69_A     5.342     0    0.054   0.257     7.807   36.905   27.460
LGA    C    70_A      C    70_A     2.424     0    0.074   0.818     3.577   57.262   53.730
LGA    Q    71_A      Q    71_A     3.279     0    0.099   0.683     6.866   40.714   33.175
LGA    T    72_A      T    72_A     7.963     0    0.018   0.161     9.534    7.976    5.034
LGA    T    73_A      T    73_A    12.080     0    0.114   1.046    16.434    0.000    0.000
LGA    R    74_A      R    74_A    15.225     0    0.025   1.038    20.799    0.000    0.000
LGA    Q    75_A      Q    75_A    10.766     0    0.025   0.559    12.137    0.238    0.635
LGA    M    76_A      M    76_A     9.383     0    0.040   1.086    11.324    0.476    0.357
LGA    R    77_A      R    77_A    15.294     0    0.071   1.373    27.682    0.000    0.000
LGA    Y    78_A      Y    78_A    14.742     0    0.054   1.207    22.990    0.000    0.000
LGA    H    79_A      H    79_A     8.874     0    0.026   0.137    10.823    1.190   20.333
LGA    Y    80_A      Y    80_A    12.149     0    0.056   1.012    16.970    0.000    0.000
LGA    K    81_A      K    81_A    16.442     0    0.074   0.735    22.986    0.000    0.000
LGA    K    82_A      K    82_A    13.171     0    0.111   1.066    18.738    0.000    0.000
LGA    I    83_A      I    83_A     9.372     0    0.555   0.936    10.934    4.048    2.083
LGA    H    84_A      H    84_A     7.766     0    0.477   1.274     9.801    3.214    3.381
LGA    A    85_A      A    85_A    12.679     0    0.512   0.482    16.835    0.000    0.000
LGA    N    86_A      N    86_A    14.733     3    0.186   0.181    17.173    0.000    0.000
LGA    L    87_A      L    87_A    17.048     0    0.096   0.210    19.612    0.000    0.000
LGA    K    88_A      K    88_A    24.387     0    0.038   0.708    31.546    0.000    0.000
LGA    M    89_A      M    89_A    27.936     0    0.660   1.051    32.103    0.000    0.000
LGA    E    90_A      E    90_A    33.411     0    0.660   0.964    35.238    0.000    0.000
LGA    G    91_A      G    91_A    34.245     0    0.467   0.467    34.526    0.000    0.000
LGA    F    92_A      F    92_A    36.537     0    0.497   1.328    36.790    0.000    0.000
LGA    G    93_A      G    93_A    37.145     0    0.538   0.538    38.202    0.000    0.000
LGA    I    94_A      I    94_A    41.981     0    0.169   1.106    47.733    0.000    0.000
LGA    L    95_A      L    95_A    42.923     0    0.123   0.115    48.768    0.000    0.000
LGA    N    96_A      N    96_A    37.620     0    0.460   1.125    39.421    0.000    0.000
LGA    I    97_A      I    97_A    40.861     0    0.070   0.119    44.530    0.000    0.000
LGA    P    98_A      P    98_A    42.087     0    0.130   0.329    45.019    0.000    0.000
LGA    L    99_A      L    99_A    48.981     0    0.710   1.400    51.741    0.000    0.000
LGA    Q   100_A      Q   100_A    53.531     0    0.491   1.092    59.767    0.000    0.000
LGA    N   101_A      N   101_A    54.602     0    0.550   1.235    56.655    0.000    0.000
LGA    T   102_A      T   102_A    60.184     0    0.067   1.017    63.896    0.000    0.000
LGA    K   103_A      K   103_A    57.059     0    0.040   1.312    57.639    0.000    0.000
LGA    F   104_A      F   104_A    53.559     0    0.045   1.417    55.776    0.000    0.000
LGA    S   105_A      S   105_A    59.581     0    0.128   0.749    61.903    0.000    0.000
LGA    D   106_A      D   106_A    63.722     0    0.051   0.159    67.108    0.000    0.000
LGA    V   107_A      V   107_A    59.288     0    0.033   1.033    60.261    0.000    0.000
LGA    W   108_A      W   108_A    57.881     0    0.055   0.256    60.499    0.000    0.000
LGA    N   109_A      N   109_A    64.705     0    0.096   0.936    69.986    0.000    0.000
LGA    K   110_A      K   110_A    66.051     0    0.063   1.396    71.137    0.000    0.000
LGA    C   111_A      C   111_A    61.076     0    0.509   0.981    62.370    0.000    0.000
LGA    F   112_A      F   112_A    62.926     0    0.230   0.631    64.525    0.000    0.000
LGA    G   113_A      G   113_A    67.693     0    0.582   0.582    69.388    0.000    0.000
LGA    D   114_A      D   114_A    72.725     3    0.169   0.170    74.629    0.000    0.000
LGA    Q   115_A      Q   115_A    67.185     0    0.680   1.253    69.044    0.000    0.000
LGA    L   116_A      L   116_A    61.735     0    0.250   1.174    63.982    0.000    0.000
LGA    K   117_A      K   117_A    63.165     0    0.077   0.902    69.097    0.000    0.000
LGA    T   118_A      T   118_A    57.994     0    0.398   1.202    60.074    0.000    0.000
LGA    I   119_A      I   119_A    53.167     0    0.591   0.546    56.105    0.000    0.000
LGA    G   120_A      G   120_A    49.475     0    0.569   0.569    51.035    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):    22.629         22.588                 22.900           24.612   21.303

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     35    2.27    31.250    27.994     1.479

LGA_LOCAL      RMSD:   2.266  Number of atoms:   35  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  31.334  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  22.629  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.750601 * X  +   0.654816 * Y  +  -0.088402 * Z  +  18.801912
  Y_new =  -0.480031 * X  +   0.632337 * Y  +   0.608046 * Z  +  -9.635768
  Z_new =   0.454058 * X  +  -0.413964 * Y  +   0.788965 * Z  +  -9.862826 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.568979 -0.471314 -0.483206   [DEG:  -32.6001  -27.0043  -27.6857 ]
ZXZ: -2.997218  0.661674  2.310038   [DEG: -171.7279   37.9111  132.3554 ]
 
# END of job
