
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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      12_A - 109_A       4.60     9.14
  LONGEST_CONTINUOUS_SEGMENT:    98      13_A - 110_A       4.81     9.01
  LCS_AVERAGE:     87.53

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87      16_A - 102_A       1.94    10.10
  LONGEST_CONTINUOUS_SEGMENT:    87      17_A - 103_A       1.97    10.02
  LCS_AVERAGE:     70.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      28_A - 54_A        0.99    11.45
  LCS_AVERAGE:     15.09

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      4    8   98      3    4    6    7    8    9   11   12   14   17   17   18   26   26   28   28   32   76   81   82 
LCS_GDT     D    13_A     D    13_A      4    8   98      3    4    6    7    8   16   18   21   28   48   53   59   86   89   91   91   91   92   93   93 
LCS_GDT     P    14_A     P    14_A      4   44   98      3    4    6   15   39   60   75   85   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     G    15_A     G    15_A      4   54   98      3    4    7   20   33   41   59   82   88   88   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    16_A     I    16_A      4   87   98      0    9   18   37   62   76   82   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     N    17_A     N    17_A      4   87   98      3   12   36   61   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     R    18_A     R    18_A      7   87   98      5   31   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    19_A     K    19_A      8   87   98     11   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     A    20_A     A    20_A      8   87   98      8   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    21_A     I    21_A      8   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     N    22_A     N    22_A      8   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     F    23_A     F    23_A      8   87   98      3   17   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     D    24_A     D    24_A      8   87   98      3   15   43   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L    25_A     L    25_A     11   87   98      6   22   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     S    26_A     S    26_A     11   87   98     10   31   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     T    27_A     T    27_A     11   87   98      6   17   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    28_A     K    28_A     27   87   98      4   22   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     S    29_A     S    29_A     27   87   98      6   32   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L    30_A     L    30_A     27   87   98      6   23   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    31_A     E    31_A     27   87   98      6   14   45   62   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    32_A     K    32_A     27   87   98      4   21   46   64   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Y    33_A     Y    33_A     27   87   98      7   23   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     F    34_A     F    34_A     27   87   98      4   10   30   60   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    35_A     K    35_A     27   87   98      3    4   27   62   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     D    36_A     D    36_A     27   87   98      3   30   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     T    37_A     T    37_A     27   87   98      3   22   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     R    38_A     R    38_A     27   87   98      5   28   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    39_A     E    39_A     27   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     P    40_A     P    40_A     27   87   98     10   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Y    41_A     Y    41_A     27   87   98     11   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     S    42_A     S    42_A     27   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L    43_A     L    43_A     27   87   98     12   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     27   87   98     11   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     27   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    46_A     K    46_A     27   87   98     12   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     F    47_A     F    47_A     27   87   98     11   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     M    48_A     M    48_A     27   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L    49_A     L    49_A     27   87   98     15   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    50_A     E    50_A     27   87   98     11   31   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     N    51_A     N    51_A     27   87   98     10   29   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     G    52_A     G    52_A     27   87   98     15   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     F    53_A     F    53_A     27   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    54_A     E    54_A     27   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     H    55_A     H    55_A     24   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     R    56_A     R    56_A     24   87   98     12   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Q    57_A     Q    57_A     21   87   98      3   15   41   59   72   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Y    58_A     Y    58_A     13   87   98      3   13   27   44   59   75   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     S    59_A     S    59_A     13   87   98      3    9   25   44   59   75   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     G    60_A     G    60_A     13   87   98      6   26   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Y    61_A     Y    61_A     13   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     T    62_A     T    62_A     13   87   98     15   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     S    63_A     S    63_A     13   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    64_A     K    64_A     13   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    65_A     E    65_A      7   87   98     15   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     P    66_A     P    66_A      7   87   98      3   23   46   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    67_A     I    67_A      5   87   98      3    4    9   24   61   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     N    68_A     N    68_A     18   87   98      6   16   39   61   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    69_A     E    69_A     18   87   98      9   16   17   19   31   64   83   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     R    70_A     R    70_A     18   87   98     11   16   17   47   71   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     R    71_A     R    71_A     18   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     V    72_A     V    72_A     18   87   98     12   16   29   58   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    73_A     I    73_A     18   87   98     12   16   17   49   72   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     R    74_A     R    74_A     18   87   98     12   26   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    75_A     I    75_A     18   87   98     12   30   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    76_A     I    76_A     18   87   98     12   16   42   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     N    77_A     N    77_A     18   87   98     12   16   32   60   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     18   87   98     12   16   47   64   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L    79_A     L    79_A     18   87   98     12   30   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     T    80_A     T    80_A     18   87   98      6   16   20   61   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     18   87   98     12   18   33   56   70   79   83   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    82_A     K    82_A     18   87   98     12   16   38   60   74   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     F    83_A     F    83_A     18   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     T    84_A     T    84_A     18   87   98      5   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     W    85_A     W    85_A     18   87   98      9   25   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L    86_A     L    86_A     17   87   98      7   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     G    87_A     G    87_A     14   87   98      7   27   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    88_A     E    88_A     14   87   98      7   30   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     C    89_A     C    89_A     14   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     V    90_A     V    90_A     14   87   98     16   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     K    91_A     K    91_A     14   87   98     11   30   47   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    92_A     E    92_A     14   87   98     10   29   47   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     F    93_A     F    93_A     14   87   98      4   23   47   63   73   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     D    94_A     D    94_A     14   87   98      3   30   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    95_A     I    95_A     14   87   98      8   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     T    96_A     T    96_A     14   87   98      3   21   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E    97_A     E    97_A     14   87   98      3   30   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     I    98_A     I    98_A     14   87   98      9   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     G    99_A     G    99_A      8   87   98     10   34   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     E   100_A     E   100_A      8   87   98      4   21   48   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Q   101_A     Q   101_A      7   87   98      4   20   47   65   75   80   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     Y   102_A     Y   102_A      6   87   98      4    7   28   52   65   79   84   87   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     S   103_A     S   103_A     11   87   98      4    4   10   25   46   62   73   84   88   89   90   90   90   90   92   92   93   93   93   93 
LCS_GDT     L   104_A     L   104_A     11   13   98      8    9   10   11   12   12   13   15   22   32   54   64   76   88   92   92   93   93   93   93 
LCS_GDT     K   105_A     K   105_A     11   13   98      8    9   10   11   12   18   25   36   49   59   74   82   89   90   92   92   93   93   93   93 
LCS_GDT     E   106_A     E   106_A     11   13   98      8    9   10   11   12   12   13   15   19   25   38   50   70   81   89   91   93   93   93   93 
LCS_GDT     T   107_A     T   107_A     11   13   98      8    9   10   11   12   12   13   15   15   16   16   20   28   37   48   55   61   78   86   92 
LCS_GDT     I   108_A     I   108_A     11   13   98      8    9   10   11   12   12   13   15   15   16   17   24   28   35   45   49   56   66   80   88 
LCS_GDT     Q   109_A     Q   109_A     11   13   98      8    9   10   11   12   12   13   15   15   16   21   26   31   41   48   55   59   70   80   88 
LCS_GDT     D   110_A     D   110_A     11   13   98      8    9   10   11   12   12   13   15   15   16   16   16   17   18   26   28   34   40   49   51 
LCS_GDT     L   111_A     L   111_A     11   13   19      8    9   10   11   12   12   13   15   15   16   16   16   17   18   19   23   31   32   37   44 
LCS_GDT     C   112_A     C   112_A     11   13   19      3    9   10   11   12   12   13   15   15   16   16   16   17   21   26   30   36   40   47   51 
LCS_GDT     A   113_A     A   113_A     11   13   19      3    5   10   11   12   12   13   15   15   16   16   16   17   18   19   19   31   32   37   41 
LCS_GDT     K   114_A     K   114_A      4   13   19      3    4    4    4    5   12   13   15   15   16   16   16   17   24   26   30   36   39   44   47 
LCS_GDT     D   115_A     D   115_A      4    5   19      3    4    4    5    5    9   11   14   15   16   16   16   17   17   19   22   23   24   30   30 
LCS_GDT     F   116_A     F   116_A      4    5   19      3    4    4    4    5    7    7    9   11   11   15   15   17   17   18   18   19   21   22   24 
LCS_GDT     H   117_A     H   117_A      4    5   19      3    4    4    4    4    5    6    7    7    8   10   12   14   15   16   16   18   20   21   21 
LCS_AVERAGE  LCS_A:  57.73  (  15.09   70.56   87.53 )

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     34     48     65     75     80     84     87     88     89     90     90     90     90     92     92     93     93     93     93 
GDT PERCENT_AT  15.09  32.08  45.28  61.32  70.75  75.47  79.25  82.08  83.02  83.96  84.91  84.91  84.91  84.91  86.79  86.79  87.74  87.74  87.74  87.74
GDT RMS_LOCAL    0.37   0.67   0.93   1.24   1.49   1.61   1.78   1.94   2.06   2.11   2.22   2.22   2.22   2.22   2.66   2.66   3.02   3.02   2.92   2.92
GDT RMS_ALL_AT   9.84  10.02  10.05  10.09  10.18  10.16  10.07  10.10   9.99   9.99  10.01  10.01  10.01  10.01   9.80   9.80   9.61   9.61   9.78   9.78

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D    94_A      D    94_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    17.737     0    0.065   1.257    21.588    0.000    0.000
LGA    D    13_A      D    13_A    12.867     0    0.611   0.630    17.097    0.119    0.060
LGA    P    14_A      P    14_A     6.381     0    0.490   0.545    10.585   25.000   17.415
LGA    G    15_A      G    15_A     6.919     0    0.085   0.085     6.919   18.571   18.571
LGA    I    16_A      I    16_A     4.827     0    0.492   0.486     7.274   36.071   28.155
LGA    N    17_A      N    17_A     2.451     0    0.577   1.138     7.173   65.595   44.643
LGA    R    18_A      R    18_A     1.490     0    0.111   1.231     3.883   81.429   67.013
LGA    K    19_A      K    19_A     1.370     0    0.042   1.182     8.295   81.548   56.349
LGA    A    20_A      A    20_A     1.049     0    0.079   0.106     1.153   88.214   86.857
LGA    I    21_A      I    21_A     0.633     0    0.051   1.077     3.227   90.476   79.048
LGA    N    22_A      N    22_A     0.621     0    0.037   0.195     0.934   90.476   90.476
LGA    F    23_A      F    23_A     1.657     0    0.468   0.890     4.610   67.262   59.654
LGA    D    24_A      D    24_A     1.865     0    0.639   0.704     3.635   65.476   61.369
LGA    L    25_A      L    25_A     1.528     0    0.136   1.040     3.490   79.286   74.286
LGA    S    26_A      S    26_A     1.199     0    0.075   0.583     2.091   81.429   78.651
LGA    T    27_A      T    27_A     1.995     0    0.059   0.168     2.493   70.833   68.231
LGA    K    28_A      K    28_A     1.921     0    0.116   1.390    10.003   75.000   45.820
LGA    S    29_A      S    29_A     1.226     0    0.066   0.673     2.870   79.286   75.952
LGA    L    30_A      L    30_A     2.026     0    0.123   1.333     4.626   66.786   64.821
LGA    E    31_A      E    31_A     2.623     0    0.105   0.199     3.336   59.048   54.815
LGA    K    32_A      K    32_A     2.627     0    0.072   0.247     5.095   60.952   50.847
LGA    Y    33_A      Y    33_A     1.961     0    0.070   0.309     2.681   70.833   65.516
LGA    F    34_A      F    34_A     2.509     0    0.668   0.579     5.040   54.048   45.931
LGA    K    35_A      K    35_A     2.153     0    0.118   0.818     5.549   70.952   55.714
LGA    D    36_A      D    36_A     1.363     0    0.171   0.721     2.519   79.286   77.321
LGA    T    37_A      T    37_A     2.125     0    0.165   1.094     5.322   68.810   62.857
LGA    R    38_A      R    38_A     1.648     0    0.094   1.520    10.282   77.143   41.905
LGA    E    39_A      E    39_A     0.272     0    0.082   1.072     3.632   95.238   77.354
LGA    P    40_A      P    40_A     1.011     0    0.119   0.301     1.832   92.976   86.803
LGA    Y    41_A      Y    41_A     0.813     0    0.062   1.422    10.558   90.476   48.175
LGA    S    42_A      S    42_A     0.765     0    0.042   0.634     2.842   90.476   83.413
LGA    L    43_A      L    43_A     0.667     0    0.092   0.246     1.721   92.857   88.333
LGA    I    44_A      I    44_A     0.793     0    0.046   0.183     1.623   90.476   87.143
LGA    K    45_A      K    45_A     0.305     0    0.052   0.065     1.131  100.000   94.762
LGA    K    46_A      K    46_A     0.826     0    0.039   1.124     5.175   88.214   72.169
LGA    F    47_A      F    47_A     1.138     0    0.054   1.288     6.119   88.214   61.515
LGA    M    48_A      M    48_A     0.259     0    0.088   0.150     0.816   97.619   97.619
LGA    L    49_A      L    49_A     0.758     0    0.063   0.420     2.616   88.333   79.762
LGA    E    50_A      E    50_A     1.669     0    0.085   0.186     2.235   75.000   71.111
LGA    N    51_A      N    51_A     1.588     0    0.277   0.274     3.876   81.667   66.012
LGA    G    52_A      G    52_A     0.406     0    0.128   0.128     0.805   95.238   95.238
LGA    F    53_A      F    53_A     0.135     0    0.099   0.438     1.193   97.619   93.203
LGA    E    54_A      E    54_A     0.097     0    0.062   0.272     1.850  100.000   90.847
LGA    H    55_A      H    55_A     0.754     0    0.041   1.083     5.167   90.476   66.714
LGA    R    56_A      R    56_A     0.867     0    0.559   0.963     3.313   84.048   80.346
LGA    Q    57_A      Q    57_A     2.670     0    0.450   0.939     6.766   47.857   37.513
LGA    Y    58_A      Y    58_A     3.967     0    0.558   1.183    10.706   45.000   25.952
LGA    S    59_A      S    59_A     3.993     0    0.554   0.523     4.980   38.810   40.317
LGA    G    60_A      G    60_A     1.804     0    0.062   0.062     1.804   81.667   81.667
LGA    Y    61_A      Y    61_A     0.552     0    0.120   0.237     1.227   90.476   88.968
LGA    T    62_A      T    62_A     0.978     0    0.072   1.210     3.494   92.857   82.245
LGA    S    63_A      S    63_A     0.673     0    0.087   0.579     2.028   88.214   84.683
LGA    K    64_A      K    64_A     0.936     0    0.031   0.795     3.889   85.952   76.720
LGA    E    65_A      E    65_A     1.052     0    0.168   0.927     6.420   85.952   61.799
LGA    P    66_A      P    66_A     1.455     0    0.415   0.750     3.327   71.667   72.177
LGA    I    67_A      I    67_A     3.420     0    0.294   1.066     6.735   50.119   40.714
LGA    N    68_A      N    68_A     2.577     0    0.328   0.784     3.020   55.357   66.548
LGA    E    69_A      E    69_A     4.716     0    0.113   1.284     6.517   40.357   38.254
LGA    R    70_A      R    70_A     3.353     0    0.068   1.766    13.545   57.381   26.797
LGA    R    71_A      R    71_A     0.281     0    0.080   1.054     7.484   90.595   57.576
LGA    V    72_A      V    72_A     2.716     0    0.060   0.142     5.366   64.881   50.612
LGA    I    73_A      I    73_A     2.878     0    0.107   1.436     7.586   60.952   46.607
LGA    R    74_A      R    74_A     1.656     0    0.031   1.354     9.805   79.405   45.541
LGA    I    75_A      I    75_A     1.255     0    0.040   0.215     3.482   86.071   72.619
LGA    I    76_A      I    76_A     1.877     0    0.062   0.627     3.556   75.000   63.452
LGA    N    77_A      N    77_A     2.536     0    0.025   1.374     7.926   64.881   44.405
LGA    K    78_A      K    78_A     2.501     0    0.038   0.740     8.975   66.905   40.423
LGA    L    79_A      L    79_A     1.598     0    0.046   0.154     5.597   83.810   61.071
LGA    T    80_A      T    80_A     2.529     0    0.063   0.125     4.345   65.119   54.014
LGA    K    81_A      K    81_A     3.483     0    0.037   0.298     7.133   50.119   33.810
LGA    K    82_A      K    82_A     2.717     0    0.045   1.012     8.431   64.881   41.005
LGA    F    83_A      F    83_A     0.664     0    0.041   1.239     4.223   92.857   76.753
LGA    T    84_A      T    84_A     1.027     0    0.064   0.157     1.812   83.690   80.272
LGA    W    85_A      W    85_A     1.603     0    0.107   1.093     6.759   79.286   53.844
LGA    L    86_A      L    86_A     0.970     0    0.031   1.322     3.864   88.214   75.893
LGA    G    87_A      G    87_A     1.247     0    0.115   0.115     1.926   79.286   79.286
LGA    E    88_A      E    88_A     1.308     0    0.066   1.026     5.138   81.429   63.333
LGA    C    89_A      C    89_A     0.553     0    0.158   0.172     1.853   83.810   86.111
LGA    V    90_A      V    90_A     0.891     0    0.085   1.169     3.194   81.667   73.878
LGA    K    91_A      K    91_A     1.878     0    0.037   0.772     5.171   70.833   54.868
LGA    E    92_A      E    92_A     2.061     0    0.119   1.235     3.638   66.786   62.434
LGA    F    93_A      F    93_A     2.471     0    0.572   0.582     6.877   61.071   41.472
LGA    D    94_A      D    94_A     1.732     0    0.123   1.063     3.093   77.143   67.202
LGA    I    95_A      I    95_A     1.252     0    0.038   0.606     3.093   81.429   75.357
LGA    T    96_A      T    96_A     1.478     0    0.147   1.279     3.293   83.690   73.469
LGA    E    97_A      E    97_A     1.418     0    0.093   0.928     5.612   81.429   59.577
LGA    I    98_A      I    98_A     1.456     0    0.139   1.447     4.062   81.429   72.738
LGA    G    99_A      G    99_A     0.690     0    0.502   0.502     3.441   75.952   75.952
LGA    E   100_A      E   100_A     1.456     0    0.064   1.034     3.257   81.429   73.280
LGA    Q   101_A      Q   101_A     2.032     0    0.034   0.945     4.669   66.786   61.164
LGA    Y   102_A      Y   102_A     3.477     0    0.119   0.250     4.668   43.929   54.087
LGA    S   103_A      S   103_A     5.942     0    0.329   0.689     9.951   13.810   13.095
LGA    L   104_A      L   104_A    10.288     0    0.246   0.282    13.454    1.786    0.893
LGA    K   105_A      K   105_A    10.923     0    0.091   1.130    14.315    0.119    0.053
LGA    E   106_A      E   106_A    15.242     0    0.055   1.441    18.408    0.000    0.000
LGA    T   107_A      T   107_A    17.092     0    0.053   0.195    20.230    0.000    0.000
LGA    I   108_A      I   108_A    17.962     0    0.048   0.145    21.004    0.000    0.000
LGA    Q   109_A      Q   109_A    20.407     0    0.060   1.025    24.232    0.000    0.000
LGA    D   110_A      D   110_A    24.291     0    0.025   0.243    27.631    0.000    0.000
LGA    L   111_A      L   111_A    25.978     0    0.035   1.389    29.166    0.000    0.000
LGA    C   112_A      C   112_A    26.789     0    0.455   0.450    28.716    0.000    0.000
LGA    A   113_A      A   113_A    32.609     0    0.692   0.659    34.586    0.000    0.000
LGA    K   114_A      K   114_A    33.476     0    0.482   0.886    35.940    0.000    0.000
LGA    D   115_A      D   115_A    39.324     0    0.144   1.143    41.910    0.000    0.000
LGA    F   116_A      F   116_A    37.899     0    0.682   1.464    42.178    0.000    0.000
LGA    H   117_A      H   117_A    35.318     0    0.182   1.289    36.629    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     8.403          8.428                  9.018           63.066   53.993

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     87    1.94    65.566    70.573     4.270

LGA_LOCAL      RMSD:   1.937  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.101  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   8.403  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.515889 * X  +   0.355119 * Y  +  -0.779583 * Z  + -14.580827
  Y_new =   0.281366 * X  +   0.789304 * Y  +   0.545741 * Z  + -75.566666
  Z_new =   0.809130 * X  +  -0.500889 * Y  +   0.307275 * Z  +  -6.858890 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.499304 -0.942671 -1.020539   [DEG:   28.6080  -54.0110  -58.4726 ]
ZXZ: -2.181551  1.258468  2.125103   [DEG: -124.9936   72.1049  121.7594 ]
 
# END of job
