
#######################################################
#                                                     #
#                        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  112 (  911),  selected  112 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      59_B - 117_B       4.91     8.33
  LCS_AVERAGE:     44.59

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      68_B - 117_B       1.82     7.93
  LCS_AVERAGE:     24.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      71_B - 100_B       0.99     8.03
  LCS_AVERAGE:     12.73

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     M     6_C     M     6_B      3    9   47      3    3    3    4    9   14   15   28   39   52   61   78   87   89   91   95   96   97   98  100 
LCS_GDT     L     7_C     L     7_B      6   11   47      3    4    6   11   14   17   36   66   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S     8_C     S     8_B      6   12   47      3    4    7   11   14   22   46   66   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N     9_C     N     9_B      6   12   47      3    4    9   20   32   53   60   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    10_C     I    10_B      8   12   47      5    9   12   22   32   49   60   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    11_C     V    11_B      8   12   47      5    9   13   22   38   49   60   69   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    12_C     I    12_B      8   12   47      5    9   13   22   38   49   60   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Q    13_C     Q    13_B      8   12   47      5    9   13   22   38   52   60   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    14_C     E    14_B      8   12   47      5    9   20   32   45   53   61   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    15_C     V    15_B      8   12   47      4    9   20   39   48   53   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     K    16_C     K    16_B      8   12   47      5    8   20   25   38   52   61   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F    17_C     F    17_B      8   12   47      3   11   20   33   45   53   61   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     A    18_C     A    18_B      4   12   47      3    4    7   20   30   52   61   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    19_C     I    19_B      4   12   47      9   14   25   34   47   53   61   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    20_C     E    20_B      4    9   47      3    4    6    8   13   18   54   58   68   79   82   87   89   90   92   95   96   97   98  100 
LCS_GDT     D    21_C     D    21_B      4   10   47      3    4    6    8   13   19   36   48   59   70   82   84   89   90   92   95   96   97   98  100 
LCS_GDT     Y    22_C     Y    22_B      7   10   47      3    7    7   11   14   26   41   55   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     C    23_C     C    23_B      7   10   47      3    7    8   11   24   36   51   61   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     A    24_C     A    24_B      7   10   47      4    7    8   11   14   25   37   61   68   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    25_C     I    25_B      7   10   47      4    7    8   11   14   41   53   62   72   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    26_C     L    26_B      7   10   47      5    7    8   11   14   27   50   61   72   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    27_C     S    27_B      7   10   47      5    7    9   15   17   37   51   61   72   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F    28_C     F    28_B      7   10   47      5    7    8   11   17   27   36   58   66   74   81   87   89   90   92   95   96   97   98  100 
LCS_GDT     A    29_C     A    29_B      7   10   47      5    7    9   15   17   37   51   61   72   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    30_C     S    30_B      7   10   47      5    7    8   11   15   37   51   61   68   77   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D    31_C     D    31_B      6   10   47      3    4    6    8   13   17   33   39   50   58   66   81   86   89   92   95   96   97   98  100 
LCS_GDT     S    32_C     S    32_B      4    9   47      3    6    6    8   10   13   19   29   32   37   39   48   55   63   75   80   89   92   95   97 
LCS_GDT     Y    33_C     Y    33_B      6    9   47      3    6    6   15   17   27   33   39   50   73   77   83   86   89   92   95   96   97   98  100 
LCS_GDT     E    34_C     E    34_B      6    9   47      3    6    6    8   10   12   14   19   44   48   63   78   82   87   90   95   96   97   98  100 
LCS_GDT     V    35_C     V    35_B      6   10   47      3    6    6   23   36   44   54   61   69   77   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     P    36_C     P    36_B      6   15   47      3   15   27   39   48   53   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    37_C     E    37_B     11   15   47      4   21   37   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Q    38_C     Q    38_B     11   15   47      7   10   19   42   48   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    39_C     Y    39_B     11   15   47      5   10   34   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F    40_C     F    40_B     11   15   47      7   10   37   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    41_C     I    41_B     11   15   47      7   12   37   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    42_C     I    42_B     11   15   47      7   22   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     T    43_C     T    43_B     11   15   47      7   24   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    44_C     R    44_B     11   15   47      7   24   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    45_C     S    45_B     11   15   47      3    9   20   35   44   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     T    46_C     T    46_B     11   15   47      3   10   20   34   44   53   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     T    47_C     T    47_B     11   15   47      3    7   20   35   44   53   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    48_C     E    48_B      6   15   47      3   10   20   35   44   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    49_C     R    49_B      6   15   47      3   10   18   44   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    50_C     S    50_B      4   15   47      3    3    4   43   50   54   62   70   74   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    51_C     G    51_B      3    7   47      3    3    4    6    8    9   37   56   67   76   82   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    52_C     G    52_B      4    9   47      3    5    6    7   16   29   37   57   66   73   78   83   86   87   91   95   96   97   98  100 
LCS_GDT     I    53_C     I    53_B      5    9   18      3    5    6    7    9    9   12   23   26   36   45   57   80   81   86   86   91   93   94   97 
LCS_GDT     P    54_C     P    54_B      5    9   17      3    5    6    7    9    9   11   19   26   35   38   57   62   66   79   82   88   90   94   97 
LCS_GDT     E    55_C     E    55_B      5    9   17      4    5    6    7    9   11   14   16   20   29   32   38   44   49   60   67   77   85   90   92 
LCS_GDT     G    56_C     G    56_B      5    9   17      4    4    6    7    9    9   11   13   19   25   28   33   36   38   44   46   55   58   64   73 
LCS_GDT     D    57_C     D    57_B      5    9   17      4    4    6    7    9    9   11   16   19   25   27   29   36   37   38   40   47   50   53   60 
LCS_GDT     I    58_C     I    58_B      4    9   17      4    4    4    6    8    9   11   16   19   25   27   29   36   38   44   46   48   50   58   69 
LCS_GDT     Y    59_C     Y    59_B      6    9   59      3    4    6    7    9    9   11   16   19   25   27   29   36   37   38   40   44   48   53   57 
LCS_GDT     L    60_C     L    60_B      6    9   59      3    5    6    7    9    9   11   16   19   25   27   29   36   37   38   42   48   50   70   80 
LCS_GDT     E    61_C     E    61_B      6    8   59      3    4    6    7    8    9   11   16   19   25   27   29   36   37   39   55   65   74   86   91 
LCS_GDT     S    62_C     S    62_B      6    8   59      3    4    6    7    8    9   11   16   19   24   33   43   50   54   65   82   88   91   98   99 
LCS_GDT     N    63_C     N    63_B      6    8   59      3    4    6    9   12   24   28   41   47   53   62   68   76   81   88   92   94   97   98  100 
LCS_GDT     L    64_C     L    64_B      6    8   59      3    4    6    7   19   24   36   43   50   53   60   64   70   80   86   92   94   95   98  100 
LCS_GDT     F    65_C     F    65_B      5   14   59      4    5    7   13   16   26   36   43   50   53   57   63   70   71   77   85   89   93   97   99 
LCS_GDT     L    66_C     L    66_B      6   14   59      4    5    7   13   16   26   36   43   50   53   57   64   70   72   79   87   91   95   98  100 
LCS_GDT     D    67_C     D    67_B      6   14   59      4    5    7   13   16   21   36   43   50   53   56   64   70   74   80   86   91   95   98  100 
LCS_GDT     F    68_C     F    68_B      6   50   59      4    5    7   11   20   29   38   49   59   64   74   78   85   88   91   92   96   97   98  100 
LCS_GDT     N    69_C     N    69_B      6   50   59      4    5    7   15   38   44   49   57   67   72   78   85   89   90   92   95   96   97   98  100 
LCS_GDT     P    70_C     P    70_B     29   50   59      4   21   33   41   47   54   59   68   74   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    71_C     Y    71_B     30   50   59      4   29   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    72_C     G    72_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    73_C     L    73_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    74_C     S    74_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    75_C     G    75_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    76_C     Y    76_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    77_C     L    77_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    78_C     L    78_B     30   50   59     19   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    79_C     S    79_B     30   50   59      7   25   37   44   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    80_C     E    80_B     30   50   59      2   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     P    81_C     P    81_B     30   50   59      3    8   19   37   45   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N    82_C     N    82_B     30   50   59      3   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     C    83_C     C    83_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    84_C     V    84_B     30   50   59     15   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D    85_C     D    85_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    86_C     L    86_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    87_C     L    87_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    88_C     I    88_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    89_C     E    89_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     P    90_C     P    90_B     30   50   59     13   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N    91_C     N    91_B     30   50   59      6   30   37   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N    92_C     N    92_B     30   50   59     15   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    93_C     Y    93_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    94_C     V    94_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    95_C     R    95_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    96_C     L    96_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    97_C     R    97_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    98_C     L    98_B     30   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    99_C     I    99_B     30   50   59      8   29   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E   100_C     E   100_B     30   50   59      5   21   37   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     K   101_C     K   101_B     17   50   59      3    6   25   39   47   53   61   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I   102_C     I   102_B     17   50   59      4   24   37   43   48   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D   103_C     D   103_B     17   50   59      9   24   37   43   48   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I   104_C     I   104_B     17   50   59      9   16   33   42   47   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L   105_C     L   105_B     17   50   59      9   20   37   43   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E   106_C     E   106_B     17   50   59     19   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V   107_C     V   107_B     17   50   59     15   29   37   43   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E   108_C     E   108_B     17   50   59     17   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N   109_C     N   109_B     17   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     H   110_C     H   110_B     17   50   59     13   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L   111_C     L   111_B     17   50   59      9   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     K   112_C     K   112_B     17   50   59      9   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F   113_C     F   113_B     17   50   59      8   29   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L   114_C     L   114_B     17   50   59      7   20   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F   115_C     F   115_B     17   50   59     17   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D   116_C     D   116_B     17   50   59     20   30   38   45   50   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N   117_C     N   117_B     17   50   59      3   16   28   43   49   54   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_AVERAGE  LCS_A:  27.33  (  12.73   24.68   44.59 )

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     20     30     38     45     50     54     62     70     76     79     83     87     89     90     92     95     96     97     98    100 
GDT PERCENT_AT  17.24  25.86  32.76  38.79  43.10  46.55  53.45  60.34  65.52  68.10  71.55  75.00  76.72  77.59  79.31  81.90  82.76  83.62  84.48  86.21
GDT RMS_LOCAL    0.36   0.56   0.86   1.10   1.31   1.50   1.88   2.30   2.61   2.72   2.97   3.19   3.33   3.38   3.61   3.92   4.03   4.19   4.34   4.64
GDT RMS_ALL_AT   7.91   7.83   7.92   8.02   8.15   8.12   8.18   8.03   7.97   7.96   7.89   7.87   7.80   7.80   7.78   7.73   7.68   7.63   7.60   7.53

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     6_C      M     6_B     9.798     0    0.047   0.631    16.388    5.238    2.619
LGA    L     7_C      L     7_B     5.136     0    0.637   0.503     7.012   23.452   26.071
LGA    S     8_C      S     8_B     5.371     0    0.163   0.683     7.800   26.310   21.587
LGA    N     9_C      N     9_B     4.189     0    0.028   0.873     6.736   40.476   34.702
LGA    I    10_C      I    10_B     4.515     0    0.144   0.890     5.328   31.429   29.464
LGA    V    11_C      V    11_B     4.617     0    0.067   0.072     5.104   37.262   34.014
LGA    I    12_C      I    12_B     4.215     0    0.021   0.630     4.745   34.286   38.869
LGA    Q    13_C      Q    13_B     4.654     0    0.035   1.070     8.145   34.286   29.365
LGA    E    14_C      E    14_B     3.741     0    0.117   0.405     5.969   46.667   36.032
LGA    V    15_C      V    15_B     2.715     0    0.086   0.162     3.060   55.357   59.388
LGA    K    16_C      K    16_B     4.146     0    0.304   0.846     8.238   38.690   27.619
LGA    F    17_C      F    17_B     3.951     0    0.083   1.268    12.987   39.048   16.840
LGA    A    18_C      A    18_B     3.919     0    0.166   0.234     5.633   43.452   39.048
LGA    I    19_C      I    19_B     4.203     0    0.034   0.124     9.974   37.262   24.940
LGA    E    20_C      E    20_B     6.028     0    0.308   0.939    10.949   21.786   11.323
LGA    D    21_C      D    21_B     6.666     0    0.533   0.819     9.873   14.405   10.417
LGA    Y    22_C      Y    22_B     5.385     0    0.099   0.308     6.536   25.000   23.135
LGA    C    23_C      C    23_B     5.449     0    0.104   0.695     5.594   25.000   25.397
LGA    A    24_C      A    24_B     6.401     0    0.054   0.072     6.779   17.143   16.381
LGA    I    25_C      I    25_B     5.923     0    0.081   0.117     6.911   17.262   19.345
LGA    L    26_C      L    26_B     6.594     0    0.168   1.360     8.213   16.190   16.548
LGA    S    27_C      S    27_B     6.520     0    0.109   0.146     7.668   11.786   12.381
LGA    F    28_C      F    28_B     7.179     0    0.025   0.147     9.724   12.500    6.364
LGA    A    29_C      A    29_B     7.054     0    0.030   0.031     7.657    9.286    8.857
LGA    S    30_C      S    30_B     7.423     0    0.702   0.652     8.028    9.524    9.206
LGA    D    31_C      D    31_B    10.996     0    0.692   1.233    13.955    0.000    0.000
LGA    S    32_C      S    32_B    15.367     0    0.147   0.610    19.517    0.000    0.000
LGA    Y    33_C      Y    33_B    11.226     0    0.164   0.568    14.173    0.000    0.119
LGA    E    34_C      E    34_B    11.958     0    0.063   0.187    18.100    0.000    0.000
LGA    V    35_C      V    35_B     7.071     0    0.247   0.240     8.492   18.095   15.374
LGA    P    36_C      P    36_B     2.893     0    0.143   0.151     5.174   62.143   53.605
LGA    E    37_C      E    37_B     2.030     0    0.160   0.396     5.842   61.190   45.979
LGA    Q    38_C      Q    38_B     3.301     0    0.055   0.390     6.844   57.262   37.354
LGA    Y    39_C      Y    39_B     2.655     0    0.036   1.489     8.173   57.143   45.794
LGA    F    40_C      F    40_B     2.103     0    0.092   1.286     6.462   68.810   53.636
LGA    I    41_C      I    41_B     1.905     0    0.087   0.149     2.342   70.833   69.821
LGA    I    42_C      I    42_B     0.912     0    0.069   0.156     1.260   88.214   88.214
LGA    T    43_C      T    43_B     0.807     0    0.023   0.202     1.671   92.857   85.510
LGA    R    44_C      R    44_B     0.930     0    0.041   0.404     4.175   81.667   67.013
LGA    S    45_C      S    45_B     2.988     0    0.060   0.596     3.679   55.476   52.540
LGA    T    46_C      T    46_B     3.706     0    0.038   1.028     5.015   48.333   44.694
LGA    T    47_C      T    47_B     3.598     0    0.050   0.097     5.254   48.452   40.476
LGA    E    48_C      E    48_B     3.368     0    0.029   0.246     5.730   50.000   38.730
LGA    R    49_C      R    49_B     3.046     0    0.547   1.196    10.033   42.381   25.022
LGA    S    50_C      S    50_B     3.242     0    0.652   0.674     5.477   45.833   42.143
LGA    G    51_C      G    51_B     6.623     0    0.700   0.700     9.275   14.167   14.167
LGA    G    52_C      G    52_B    10.537     0    0.522   0.522    13.333    1.190    1.190
LGA    I    53_C      I    53_B    15.292     0    0.041   0.195    19.048    0.000    0.000
LGA    P    54_C      P    54_B    16.788     0    0.064   0.357    20.756    0.000    0.000
LGA    E    55_C      E    55_B    20.579     0    0.036   0.617    22.089    0.000    0.000
LGA    G    56_C      G    56_B    26.396     0    0.112   0.112    26.396    0.000    0.000
LGA    D    57_C      D    57_B    27.395     0    0.181   1.020    32.350    0.000    0.000
LGA    I    58_C      I    58_B    23.092     0    0.176   1.084    24.404    0.000    0.000
LGA    Y    59_C      Y    59_B    23.742     0    0.158   1.301    28.412    0.000    0.000
LGA    L    60_C      L    60_B    19.366     0    0.120   1.067    21.196    0.000    0.000
LGA    E    61_C      E    61_B    17.971     0    0.084   0.966    21.356    0.000    0.000
LGA    S    62_C      S    62_B    14.501     0    0.386   0.709    16.215    0.000    0.000
LGA    N    63_C      N    63_B    11.229     0    0.462   1.044    13.348    0.000    0.000
LGA    L    64_C      L    64_B    11.348     0    0.010   1.354    13.029    0.000    0.357
LGA    F    65_C      F    65_B    13.624     0    0.139   0.828    17.264    0.000    0.000
LGA    L    66_C      L    66_B    12.606     0    0.073   1.364    12.719    0.000    0.357
LGA    D    67_C      D    67_B    13.287     0    0.069   1.014    17.682    0.000    0.000
LGA    F    68_C      F    68_B     9.916     0    0.103   1.208    11.074    0.833   21.126
LGA    N    69_C      N    69_B     7.778     0    0.057   0.198     8.583   15.714   11.190
LGA    P    70_C      P    70_B     4.382     0    0.204   0.339     7.354   43.214   30.612
LGA    Y    71_C      Y    71_B     1.007     0    0.357   0.334     4.048   73.452   67.302
LGA    G    72_C      G    72_B     1.327     0    0.148   0.148     1.523   79.286   79.286
LGA    L    73_C      L    73_B     1.313     0    0.063   1.278     3.601   79.286   72.440
LGA    S    74_C      S    74_B     0.970     0    0.020   0.027     1.166   90.595   87.540
LGA    G    75_C      G    75_B     0.417     0    0.055   0.055     0.672   92.857   92.857
LGA    Y    76_C      Y    76_B     0.575     0    0.009   0.182     0.893   95.238   92.063
LGA    L    77_C      L    77_B     0.348     0    0.031   0.129     1.035   97.619   94.107
LGA    L    78_C      L    78_B     0.718     0    0.226   1.103     3.261   86.071   81.012
LGA    S    79_C      S    79_B     1.476     0    0.673   0.773     4.048   68.214   72.698
LGA    E    80_C      E    80_B     0.787     0    0.050   1.086     7.902   67.381   44.815
LGA    P    81_C      P    81_B     3.006     0    0.058   0.421     5.690   59.405   47.687
LGA    N    82_C      N    82_B     1.174     0    0.147   0.595     3.280   83.810   74.524
LGA    C    83_C      C    83_B     0.916     0    0.023   0.083     1.256   90.476   87.460
LGA    V    84_C      V    84_B     0.808     0    0.015   0.119     1.317   90.476   87.891
LGA    D    85_C      D    85_B     0.483     0    0.066   0.101     0.817   92.857   96.429
LGA    L    86_C      L    86_B     0.832     0    0.028   0.100     1.467   90.476   85.952
LGA    L    87_C      L    87_B     0.820     0    0.016   0.110     1.049   88.214   92.917
LGA    I    88_C      I    88_B     1.324     0    0.092   0.232     1.936   79.286   79.286
LGA    E    89_C      E    89_B     1.443     0    0.037   0.927     4.708   77.143   66.296
LGA    P    90_C      P    90_B     1.708     0    0.622   0.605     2.747   68.929   70.612
LGA    N    91_C      N    91_B     2.522     0    0.042   0.774     4.876   62.857   53.274
LGA    N    92_C      N    92_B     2.219     0    0.039   0.195     3.240   68.810   63.988
LGA    Y    93_C      Y    93_B     1.191     0    0.036   0.078     1.564   77.143   81.508
LGA    V    94_C      V    94_B     1.349     0    0.050   0.059     1.611   81.429   78.980
LGA    R    95_C      R    95_B     1.063     0    0.071   0.248     1.265   81.429   86.364
LGA    L    96_C      L    96_B     1.214     0    0.103   0.170     2.675   85.952   75.417
LGA    R    97_C      R    97_B     1.095     0    0.087   0.971     4.014   81.429   75.152
LGA    L    98_C      L    98_B     1.199     0    0.009   0.121     2.141   81.429   76.190
LGA    I    99_C      I    99_B     1.269     0    0.604   1.737     4.010   69.762   64.940
LGA    E   100_C      E   100_B     2.343     0    0.644   0.860     9.985   77.619   40.794
LGA    K   101_C      K   101_B     3.766     0    0.489   0.841    15.126   52.381   25.714
LGA    I   102_C      I   102_B     3.277     0    0.105   0.167     3.641   50.000   49.167
LGA    D   103_C      D   103_B     3.289     0    0.093   0.236     3.913   51.786   48.393
LGA    I   104_C      I   104_B     3.326     0    0.042   0.201     4.032   53.571   46.905
LGA    L   105_C      L   105_B     2.508     0    0.050   1.394     5.980   62.976   51.369
LGA    E   106_C      E   106_B     1.858     0    0.092   0.496     3.226   70.833   68.519
LGA    V   107_C      V   107_B     2.236     0    0.019   0.031     2.972   68.810   63.810
LGA    E   108_C      E   108_B     1.780     0    0.068   0.194     2.498   77.143   72.063
LGA    N   109_C      N   109_B     1.128     0    0.046   0.093     1.594   81.429   80.357
LGA    H   110_C      H   110_B     1.644     0    0.048   0.915     3.295   75.000   71.571
LGA    L   111_C      L   111_B     1.373     0    0.022   0.099     1.762   81.429   79.286
LGA    K   112_C      K   112_B     0.845     0    0.062   0.533     3.100   88.214   75.556
LGA    F   113_C      F   113_B     0.861     0    0.126   0.238     2.213   88.214   78.615
LGA    L   114_C      L   114_B     0.856     0    0.059   0.199     1.629   88.214   82.679
LGA    F   115_C      F   115_B     0.658     0    0.171   0.261     1.533   90.476   85.584
LGA    D   116_C      D   116_B     1.040     0    0.013   0.728     3.875   75.119   65.476
LGA    N   117_C      N   117_B     2.913     0    0.242   1.167     6.229   44.643   42.024

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     911    911  100.00               116
SUMMARY(RMSD_GDC):     7.212          7.127                  7.712           45.828   41.567

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  116    4.0     70    2.30    51.724    46.666     2.920

LGA_LOCAL      RMSD:   2.297  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.028  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   7.212  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.647252 * X  +   0.293379 * Y  +   0.703558 * Z  + -20.339344
  Y_new =  -0.544476 * X  +  -0.468020 * Y  +   0.696063 * Z  + -13.912704
  Z_new =   0.533489 * X  +  -0.833598 * Y  +  -0.143189 * Z  +  -3.547708 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.699370 -0.562720 -1.740909   [DEG:  -40.0709  -32.2415  -99.7467 ]
ZXZ:  2.350840  1.714479  2.572291   [DEG:  134.6932   98.2324  147.3814 ]
 
# END of job
