
#######################################################
#                                                     #
#                        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  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , 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:   110       4_A - 113_A       4.79     5.73
  LCS_AVERAGE:     96.81

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      14_A - 42_A        1.98     6.36
  LCS_AVERAGE:     17.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      17_A - 31_A        0.98     7.76
  LONGEST_CONTINUOUS_SEGMENT:    15      66_A - 80_A        0.99     8.56
  LCS_AVERAGE:      8.43

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     P     2_A     P     2_A      3    4   22      0    3    3    3    4    7    7   13   15   17   18   19   22   26   34   38   42   51   55   61 
LCS_GDT     M     3_A     M     3_A      3   11   22      3    3    3    3    9   11   12   12   14   17   21   23   24   29   44   46   55   67   73   75 
LCS_GDT     G     4_A     G     4_A      4   11  110      3    4    5    9   10   11   12   13   15   17   21   23   24   29   34   38   48   62   66   74 
LCS_GDT     L     5_A     L     5_A      4   11  110      3    4    5    9   10   11   12   13   15   18   21   24   26   40   55   60   64   73   76   82 
LCS_GDT     L     6_A     L     6_A      6   11  110      3    6    8    8   10   14   19   26   34   42   49   53   65   71   79   90  104  107  107  108 
LCS_GDT     P     7_A     P     7_A      7   11  110      3    6    8    9   11   16   24   32   37   43   55   63   76   94  105  106  107  107  107  108 
LCS_GDT     L     8_A     L     8_A      7   11  110      4    6    8    9   14   18   28   38   45   59   70   83  101  105  106  106  107  107  107  108 
LCS_GDT     K     9_A     K     9_A      7   11  110      4    6    8   12   22   38   56   71   88   97  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    10_A     V    10_A      7   27  110      4    6   16   34   53   72   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    11_A     T    11_A      7   27  110      4   13   23   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     H    12_A     H    12_A     10   27  110      7   18   24   33   44   67   82   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    13_A     T    13_A     10   27  110      5   10   25   34   53   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    14_A     T    14_A     10   29  110      5   12   26   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    15_A     L    15_A     10   29  110      5   12   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     C    16_A     C    16_A     10   29  110      5   10   24   38   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     W    17_A     W    17_A     15   29  110      3   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    18_A     G    18_A     15   29  110      3    8   19   39   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S    19_A     S    19_A     15   29  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    20_A     T    20_A     15   29  110      5   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     K    21_A     K    21_A     15   29  110      9   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    22_A     L    22_A     15   29  110      9   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     R    23_A     R    23_A     15   29  110      9   18   25   35   56   71   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    24_A     T    24_A     15   29  110      9   18   26   38   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     D    25_A     D    25_A     15   29  110      4   18   25   38   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    26_A     V    26_A     15   29  110      9   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     R    27_A     R    27_A     15   29  110      9   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     K    28_A     K    28_A     15   29  110      7   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S    29_A     S    29_A     15   29  110      5   18   26   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     M    30_A     M    30_A     15   29  110      5   17   25   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Q    31_A     Q    31_A     15   29  110      5   17   26   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    32_A     V    32_A     11   29  110      4   12   24   38   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     K    33_A     K    33_A     10   29  110      4   11   23   37   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     N    34_A     N    34_A      9   29  110      3    9   17   30   49   66   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    35_A     T    35_A      8   29  110      4    8   21   34   46   65   82   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    36_A     A    36_A      6   29  110      4   12   23   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     D    37_A     D    37_A      5   29  110      4   11   21   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     K    38_A     K    38_A      5   29  110      4   13   21   41   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     R    39_A     R    39_A      5   29  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    40_A     L    40_A      5   29  110      4   11   19   36   56   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    41_A     V    41_A      6   29  110      4    4    7   33   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     I    42_A     I    42_A      7   29  110      4    8   21   38   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     R    43_A     R    43_A      7   17  110      3    6   10   33   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    44_A     L    44_A      7   17  110      3   10   23   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    45_A     G    45_A      7   17  110      3    5   11   34   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     I    46_A     I    46_A      7   17  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Q    47_A     Q    47_A      7   17  110      3    6   11   29   53   70   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    48_A     G    48_A      7   17  110      4    6   22   37   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     P    49_A     P    49_A      6   17  110      4    5    7   17   31   52   71   88   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    50_A     G    50_A      6   17  110      4    5    9   17   27   52   67   81   94   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     F    51_A     F    51_A      6   17  110      4    5   19   37   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Q    52_A     Q    52_A      6   12  110      4    7   15   29   55   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    53_A     L    53_A      6   12  110      4    5   15   29   55   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    54_A     V    54_A      5   11  110      4    7   21   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    55_A     G    55_A      5    7  110      3    4   20   38   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    56_A     T    56_A      6    7  110      3    4    8   13   38   53   73   87   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     D    57_A     D    57_A      6    7  110      3    5    6    6    7   13   22   31   43   65   83   98  105  105  106  106  107  107  107  108 
LCS_GDT     S    58_A     S    58_A      6    7  110      3    5   10   24   38   54   70   86   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S    59_A     S    59_A      6    7  110      3    5   10   16   21   32   40   60   76   91  101  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    60_A     T    60_A      6    7  110      3    7   15   27   51   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     I    61_A     I    61_A      6    8  110      3    5    7   10   26   58   75   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    62_A     T    62_A      5    8  110      3    5    7    9   36   59   81   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    63_A     L    63_A      5   19  110      3    5    9   19   52   72   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Q    64_A     Q    64_A     11   21  110      3   10   20   29   53   72   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    65_A     A    65_A     12   22  110      3    5    6    8   25   38   56   79   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     M    66_A     M    66_A     15   23  110      5   15   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     E    67_A     E    67_A     15   23  110      5   15   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     C    68_A     C    68_A     15   23  110      4   14   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     R    69_A     R    69_A     15   23  110      5   14   22   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S    70_A     S    70_A     15   23  110      5   15   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    71_A     V    71_A     15   23  110      5   15   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    72_A     V    72_A     15   23  110      5   15   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     I    73_A     I    73_A     15   23  110      5   15   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     N    74_A     N    74_A     15   23  110      5   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     F    75_A     F    75_A     15   23  110      4   18   24   40   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     C    76_A     C    76_A     15   23  110      8   18   24   35   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     P    77_A     P    77_A     15   23  110      6   17   24   39   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     T    78_A     T    78_A     15   23  110      4   17   24   33   48   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     V    79_A     V    79_A     15   23  110      4   15   23   39   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     C    80_A     C    80_A     15   23  110      5   18   24   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    81_A     G    81_A     11   23  110      4   15   24   35   54   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    82_A     A    82_A     11   23  110      4   11   22   30   45   63   79   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    83_A     A    83_A     11   23  110      4   15   24   32   51   70   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     I    84_A     I    84_A      8   23  110      5   17   24   35   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    85_A     G    85_A      8   23  110      6   10   24   37   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    86_A     A    86_A      8   23  110      6   13   25   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L    87_A     L    87_A      8   23  110      6   10   19   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S    88_A     S    88_A      8   23  110      6   10   19   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     F    89_A     F    89_A      8   15  110      6   10   19   32   56   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Y    90_A     Y    90_A      8   15  110      3    8   18   39   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    91_A     A    91_A      8   15  110      5   11   19   32   49   70   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     P    92_A     P    92_A      4   15  110      3    9   21   38   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     P    93_A     P    93_A      4   15  110      3   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G    94_A     G    94_A      4   15  110      3   10   21   37   54   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     A    95_A     A    95_A      6   10  110      4   11   20   29   49   67   80   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     H    96_A     H    96_A      6   11  110      4   10   19   29   49   69   82   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     N    97_A     N    97_A      6   15  110      4    8   19   29   45   61   78   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S    98_A     S    98_A      6   15  110      4   11   20   29   49   66   80   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     N    99_A     N    99_A      6   15  110      3   12   20   29   36   56   66   80   90   97  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Q   100_A     Q   100_A      6   15  110      3    6    6    8   14   41   53   63   80   93   99  104  105  105  106  106  107  107  107  108 
LCS_GDT     P   101_A     P   101_A     11   15  110      5   11   21   38   56   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G   102_A     G   102_A     11   15  110      5   11   21   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L   103_A     L   103_A     11   15  110      5   11   21   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     E   104_A     E   104_A     11   15  110      6   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     I   105_A     I   105_A     11   15  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     P   106_A     P   106_A     11   15  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     L   107_A     L   107_A     11   15  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Y   108_A     Y   108_A     11   15  110      5   13   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G   109_A     G   109_A     11   15  110      4   18   24   40   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     Y   110_A     Y   110_A     11   15  110      9   17   24   37   57   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G   111_A     G   111_A     11   15  110      9   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     G   112_A     G   112_A      6   15  110      9   18   27   43   58   73   83   89   96   99  102  104  105  105  106  106  107  107  107  108 
LCS_GDT     S   113_A     S   113_A      3   13  110      3    3    4   11   19   38   58   82   92   99  102  104  105  105  106  106  107  107  107  108 
LCS_AVERAGE  LCS_A:  41.01  (   8.43   17.79   96.81 )

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      9     18     27     43     58     73     83     89     96     99    102    104    105    105    106    106    107    107    107    108 
GDT PERCENT_AT   8.04  16.07  24.11  38.39  51.79  65.18  74.11  79.46  85.71  88.39  91.07  92.86  93.75  93.75  94.64  94.64  95.54  95.54  95.54  96.43
GDT RMS_LOCAL    0.32   0.60   1.13   1.50   1.78   2.08   2.29   2.46   2.70   2.82   2.99   3.11   3.20   3.20   3.33   3.33   3.53   3.53   3.53   3.79
GDT RMS_ALL_AT  12.15  10.16   7.00   6.60   6.67   6.50   6.46   6.28   6.21   6.22   6.13   6.08   6.07   6.07   6.02   6.02   5.96   5.96   5.96   5.89

# Checking swapping
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   108_A      Y   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    28.931     0    0.331   0.395    31.115    0.000    0.000
LGA    M     3_A      M     3_A    26.382     0    0.574   1.017    27.566    0.000    0.000
LGA    G     4_A      G     4_A    26.640     0    0.248   0.248    26.640    0.000    0.000
LGA    L     5_A      L     5_A    22.323     0    0.089   0.345    24.243    0.000    0.000
LGA    L     6_A      L     6_A    16.197     0    0.377   1.104    18.061    0.000    0.000
LGA    P     7_A      P     7_A    13.530     0    0.082   0.322    15.553    0.000    0.000
LGA    L     8_A      L     8_A    10.623     0    0.023   0.808    11.859    1.429    0.714
LGA    K     9_A      K     9_A     6.583     0    0.031   0.378     9.549   14.167    9.788
LGA    V    10_A      V    10_A     3.037     0    0.047   0.243     4.327   56.190   53.741
LGA    T    11_A      T    11_A     1.680     0    0.017   1.199     3.529   65.595   63.197
LGA    H    12_A      H    12_A     3.728     0    0.642   1.533    10.776   53.810   26.762
LGA    T    13_A      T    13_A     3.181     0    0.113   0.383     4.886   55.714   47.007
LGA    T    14_A      T    14_A     1.894     0    0.101   0.123     3.157   70.833   63.946
LGA    L    15_A      L    15_A     1.501     0    0.115   0.165     2.456   70.833   80.655
LGA    C    16_A      C    16_A     2.467     0    0.034   0.143     4.015   68.810   60.397
LGA    W    17_A      W    17_A     1.585     0    0.666   0.547     3.530   65.476   78.231
LGA    G    18_A      G    18_A     2.325     0    0.144   0.144     2.325   70.833   70.833
LGA    S    19_A      S    19_A     2.174     0    0.036   0.065     3.120   70.833   65.079
LGA    T    20_A      T    20_A     2.155     0    0.047   0.080     2.989   60.952   62.653
LGA    K    21_A      K    21_A     2.601     0    0.052   1.299     3.517   62.857   61.587
LGA    L    22_A      L    22_A     2.101     0    0.080   0.236     3.232   59.167   67.143
LGA    R    23_A      R    23_A     3.611     0    0.137   1.235     4.831   43.810   47.532
LGA    T    24_A      T    24_A     3.028     0    0.035   1.264     3.980   57.262   54.218
LGA    D    25_A      D    25_A     2.588     0    0.113   0.716     5.804   60.952   47.857
LGA    V    26_A      V    26_A     1.485     0    0.026   1.222     3.560   75.000   69.932
LGA    R    27_A      R    27_A     1.658     0    0.057   1.089     7.541   77.143   51.169
LGA    K    28_A      K    28_A     1.333     0    0.044   1.138     4.329   77.143   74.974
LGA    S    29_A      S    29_A     1.790     0    0.037   0.223     2.276   70.833   70.159
LGA    M    30_A      M    30_A     1.916     0    0.023   1.128     6.014   72.857   55.060
LGA    Q    31_A      Q    31_A     1.727     0    0.095   0.588     4.473   68.929   56.402
LGA    V    32_A      V    32_A     2.354     0    0.047   0.988     3.717   68.810   61.837
LGA    K    33_A      K    33_A     2.795     0    0.030   1.338     6.739   50.357   37.302
LGA    N    34_A      N    34_A     3.941     0    0.080   0.349     7.909   60.238   40.893
LGA    T    35_A      T    35_A     3.931     0    0.561   1.280     7.201   52.619   37.007
LGA    A    36_A      A    36_A     1.767     0    0.107   0.114     2.920   71.071   69.810
LGA    D    37_A      D    37_A     1.274     0    0.027   0.875     2.471   79.762   74.286
LGA    K    38_A      K    38_A     1.861     0    0.598   1.069     7.651   73.214   46.614
LGA    R    39_A      R    39_A     1.610     0    0.151   0.857     9.600   66.071   33.247
LGA    L    40_A      L    40_A     2.846     0    0.023   0.945     8.591   75.357   43.452
LGA    V    41_A      V    41_A     2.944     0    0.119   1.170     7.381   48.929   33.878
LGA    I    42_A      I    42_A     1.827     0    0.155   0.690     6.655   79.643   52.262
LGA    R    43_A      R    43_A     2.840     0    0.038   0.974    11.764   59.524   24.502
LGA    L    44_A      L    44_A     1.073     0    0.027   0.981     7.344   74.167   46.786
LGA    G    45_A      G    45_A     2.614     0    0.135   0.135     2.614   69.286   69.286
LGA    I    46_A      I    46_A     1.322     0    0.050   1.496     7.501   57.381   40.952
LGA    Q    47_A      Q    47_A     3.630     0    0.228   0.967    10.636   61.548   31.534
LGA    G    48_A      G    48_A     3.517     0    0.419   0.419     3.966   46.786   46.786
LGA    P    49_A      P    49_A     5.831     0    0.644   0.632     7.761   28.095   20.408
LGA    G    50_A      G    50_A     6.404     0    0.340   0.340     6.814   19.524   19.524
LGA    F    51_A      F    51_A     2.782     0    0.072   1.240     7.217   68.095   40.173
LGA    Q    52_A      Q    52_A     2.559     0    0.233   1.194    10.483   69.048   37.090
LGA    L    53_A      L    53_A     2.769     0    0.259   0.613     4.103   52.143   49.405
LGA    V    54_A      V    54_A     1.583     0    0.105   1.024     3.324   75.119   65.374
LGA    G    55_A      G    55_A     2.552     0    0.156   0.156     2.953   61.071   61.071
LGA    T    56_A      T    56_A     5.370     0    0.542   1.147     8.877   19.048   18.844
LGA    D    57_A      D    57_A     8.474     0    0.432   1.245    11.788    9.524    4.762
LGA    S    58_A      S    58_A     5.547     0    0.092   0.152     6.802   16.310   22.302
LGA    S    59_A      S    59_A     7.372     0    0.016   0.459     8.681   13.452   10.238
LGA    T    60_A      T    60_A     3.271     0    0.622   1.248     4.958   40.476   52.109
LGA    I    61_A      I    61_A     4.318     0    0.236   1.329     5.846   41.905   32.262
LGA    T    62_A      T    62_A     3.975     0    0.214   0.209     4.676   38.810   38.980
LGA    L    63_A      L    63_A     3.216     0    0.259   1.119     5.821   55.476   43.690
LGA    Q    64_A      Q    64_A     3.135     0    0.090   0.957     6.663   59.405   39.153
LGA    A    65_A      A    65_A     4.885     0    0.623   0.576     6.409   31.786   28.857
LGA    M    66_A      M    66_A     2.074     0    0.178   1.087     6.683   64.762   51.190
LGA    E    67_A      E    67_A     2.251     0    0.150   0.968     2.948   70.952   66.720
LGA    C    68_A      C    68_A     2.237     0    0.041   0.736     5.280   59.167   53.333
LGA    R    69_A      R    69_A     1.918     0    0.070   1.209     7.524   79.286   50.390
LGA    S    70_A      S    70_A     1.679     0    0.021   0.136     2.706   70.833   67.540
LGA    V    71_A      V    71_A     1.541     0    0.084   1.051     3.756   79.286   74.830
LGA    V    72_A      V    72_A     1.220     0    0.040   0.146     1.616   79.286   81.497
LGA    I    73_A      I    73_A     1.624     0    0.035   0.555     2.343   75.000   72.917
LGA    N    74_A      N    74_A     1.744     0    0.042   1.198     4.220   68.810   64.345
LGA    F    75_A      F    75_A     2.036     0    0.067   0.910     3.401   68.810   65.152
LGA    C    76_A      C    76_A     2.780     0    0.159   0.805     3.889   53.690   55.159
LGA    P    77_A      P    77_A     2.065     0    0.109   0.135     2.258   66.786   71.837
LGA    T    78_A      T    78_A     3.363     0    0.193   0.189     4.765   48.571   42.857
LGA    V    79_A      V    79_A     2.419     0    0.028   0.073     4.165   69.048   57.143
LGA    C    80_A      C    80_A     1.021     0    0.129   0.750     3.254   75.833   71.032
LGA    G    81_A      G    81_A     3.691     0    0.061   0.061     3.759   52.143   52.143
LGA    A    82_A      A    82_A     5.315     0    0.296   0.337     6.482   26.190   24.381
LGA    A    83_A      A    83_A     4.389     0    0.041   0.045     4.724   37.262   36.095
LGA    I    84_A      I    84_A     3.331     0    0.056   1.155     4.402   50.119   46.012
LGA    G    85_A      G    85_A     2.776     0    0.033   0.033     2.875   62.976   62.976
LGA    A    86_A      A    86_A     1.629     0    0.052   0.109     2.134   70.833   72.952
LGA    L    87_A      L    87_A     2.018     0    0.140   0.243     3.159   70.833   64.048
LGA    S    88_A      S    88_A     1.943     0    0.080   0.182     2.283   66.786   68.810
LGA    F    89_A      F    89_A     2.517     0    0.147   0.836     6.845   59.167   42.468
LGA    Y    90_A      Y    90_A     2.207     0    0.043   1.342    11.848   59.167   30.794
LGA    A    91_A      A    91_A     3.218     0    0.080   0.102     5.429   61.190   54.190
LGA    P    92_A      P    92_A     2.232     0    0.157   0.225     6.032   73.214   52.517
LGA    P    93_A      P    93_A     2.464     0    0.571   0.543     4.255   61.071   51.701
LGA    G    94_A      G    94_A     3.241     0    0.559   0.559     3.241   55.476   55.476
LGA    A    95_A      A    95_A     4.382     0    0.353   0.346     5.983   36.786   33.714
LGA    H    96_A      H    96_A     3.822     0    0.528   1.021     8.921   43.333   28.143
LGA    N    97_A      N    97_A     5.199     0    0.380   1.105     9.723   28.810   19.702
LGA    S    98_A      S    98_A     4.521     0    0.132   0.651     6.599   24.405   31.032
LGA    N    99_A      N    99_A     7.055     0    0.149   0.794    10.465   15.476    9.345
LGA    Q   100_A      Q   100_A     7.521     0    0.141   0.497    14.559   15.000    6.720
LGA    P   101_A      P   101_A     2.385     0    0.180   0.250     5.122   46.310   47.551
LGA    G   102_A      G   102_A     1.307     0    0.315   0.315     1.771   79.286   79.286
LGA    L   103_A      L   103_A     1.755     0    0.034   0.115     3.333   77.143   67.202
LGA    E   104_A      E   104_A     0.963     0    0.017   0.946     2.791   83.690   76.931
LGA    I   105_A      I   105_A     0.886     0    0.051   0.599     2.075   90.476   87.262
LGA    P   106_A      P   106_A     0.669     0    0.144   0.357     1.102   90.476   89.184
LGA    L   107_A      L   107_A     0.855     0    0.227   1.286     3.466   88.214   79.821
LGA    Y   108_A      Y   108_A     1.327     0    0.050   0.249     1.457   81.429   87.540
LGA    G   109_A      G   109_A     2.206     0    0.254   0.254     3.364   61.190   61.190
LGA    Y   110_A      Y   110_A     2.654     0    0.135   1.457    13.496   64.881   29.286
LGA    G   111_A      G   111_A     0.869     0    0.105   0.105     1.762   81.548   81.548
LGA    G   112_A      G   112_A     2.077     0    0.199   0.199     4.349   58.333   58.333
LGA    S   113_A      S   113_A     6.082     0    0.200   0.633     9.724   29.762   20.397

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     5.671          5.609                  6.188           55.166   47.932

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     89    2.46    57.143    52.484     3.474

LGA_LOCAL      RMSD:   2.462  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.281  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   5.671  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.587585 * X  +  -0.494403 * Y  +   0.640555 * Z  + -19.236235
  Y_new =  -0.762675 * X  +  -0.073933 * Y  +   0.642542 * Z  + -54.510113
  Z_new =  -0.270317 * X  +  -0.866083 * Y  +  -0.420510 * Z  +  16.270517 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.914350  0.273722 -2.022802   [DEG:  -52.3884   15.6831 -115.8980 ]
ZXZ:  2.357744  2.004804 -2.839060   [DEG:  135.0888  114.8668 -162.6661 ]
 
# END of job
