
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , 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:    51      66_B - 116_B       4.99    11.89
  LCS_AVERAGE:     30.14

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      74_B - 89_B        1.96    15.17
  LONGEST_CONTINUOUS_SEGMENT:    16     102_B - 117_B       1.86    11.98
  LCS_AVERAGE:      9.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14     103_B - 116_B       0.83    11.97
  LCS_AVERAGE:      4.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      3    4   17      0    3    3    3    4    8   10   12   15   19   22   27   29   36   38   45   47   52   55   59 
LCS_GDT     K     3_C     K     3_B      3    4   17      3    3    3    3    4    5   11   12   16   19   27   30   33   37   41   45   57   58   61   63 
LCS_GDT     S     4_C     S     4_B      3    4   17      3    3    3    3    5    9   11   13   18   22   27   31   33   38   41   45   47   52   56   62 
LCS_GDT     K     5_C     K     5_B      3    7   17      3    3    4    6    7    9   11   13   17   21   26   28   32   38   40   45   47   52   56   59 
LCS_GDT     M     6_C     M     6_B      3    7   17      3    3    3    5    6    7   15   17   18   23   28   34   38   42   46   48   57   60   66   71 
LCS_GDT     L     7_C     L     7_B      3    9   17      3    3    3    7    8    9   11   16   20   22   27   31   33   38   41   46   57   58   66   71 
LCS_GDT     S     8_C     S     8_B      4    9   17      3    4    5    7   11   12   12   16   20   21   27   31   35   38   43   48   57   67   68   71 
LCS_GDT     N     9_C     N     9_B      4    9   17      3    4    6    7    8    9   13   16   18   23   28   35   38   42   46   49   60   67   68   72 
LCS_GDT     I    10_C     I    10_B      5    9   17      3    4    6    8    8   10   13   14   17   23   28   35   38   40   50   57   62   67   72   77 
LCS_GDT     V    11_C     V    11_B      5    9   17      3    4    6    7    8   10   13   14   16   21   27   31   33   38   42   47   53   64   69   72 
LCS_GDT     I    12_C     I    12_B      5    9   17      3    4    6    7    8   10   13   14   16   19   22   27   36   39   42   56   59   64   69   77 
LCS_GDT     Q    13_C     Q    13_B      5    9   17      3    4    6    7    8    9   11   12   16   19   21   27   29   33   40   45   47   52   55   65 
LCS_GDT     E    14_C     E    14_B      5    9   17      3    3    6    7    8   10   13   14   16   19   22   27   29   33   40   45   47   52   55   66 
LCS_GDT     V    15_C     V    15_B      3    9   17      3    3    4    6    7   10   13   14   16   19   22   27   29   33   40   45   47   52   55   66 
LCS_GDT     K    16_C     K    16_B      3    8   17      3    3    3    4    8   10   13   14   17   22   27   31   36   39   42   56   59   64   70   77 
LCS_GDT     F    17_C     F    17_B      3    8   17      3    3    3    7    9   10   12   16   23   27   33   36   47   53   61   64   67   70   73   78 
LCS_GDT     A    18_C     A    18_B      3    3   17      3    3    8   10   12   16   19   28   35   40   47   49   55   59   63   66   69   72   74   78 
LCS_GDT     I    19_C     I    19_B      3    6   18      3    3    8   14   19   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     E    20_C     E    20_B      4    6   18      3    4    6   11   16   22   27   32   36   41   47   49   55   59   63   66   69   72   74   78 
LCS_GDT     D    21_C     D    21_B      4    6   18      3    4    6    6    6    8   15   16   17   29   37   40   45   52   59   64   68   71   74   77 
LCS_GDT     Y    22_C     Y    22_B      5   10   18      3    5    6    6    9   10   15   16   26   28   37   42   45   48   56   61   66   69   73   75 
LCS_GDT     C    23_C     C    23_B      5   10   18      4    5    6    7    9   10   20   22   30   33   39   45   50   56   59   66   68   72   74   78 
LCS_GDT     A    24_C     A    24_B      5   10   19      4    5    6    7   11   15   20   29   35   37   45   49   55   58   62   66   69   72   74   78 
LCS_GDT     I    25_C     I    25_B      5   10   19      4    5    6    7    9   15   21   29   35   38   46   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    26_C     L    26_B      5   10   19      4    5    5    7    9   13   21   29   39   42   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     S    27_C     S    27_B      4   10   19      3    4    5   10   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     F    28_C     F    28_B      4   10   19      3    4    5   10   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     A    29_C     A    29_B      4   10   19      3    4    6    7   11   17   24   31   39   41   47   51   55   57   61   66   69   72   74   78 
LCS_GDT     S    30_C     S    30_B      4   10   19      3    4    6    7   12   22   24   31   39   41   47   51   55   58   61   66   69   72   74   78 
LCS_GDT     D    31_C     D    31_B      4   10   19      3    4    6    7    9   10   13   18   22   33   37   42   47   53   59   63   66   68   72   75 
LCS_GDT     S    32_C     S    32_B      3    6   19      2    4    4    5    5    7   10   13   15   19   21   25   29   34   41   44   49   53   57   62 
LCS_GDT     Y    33_C     Y    33_B      3    6   19      0    3    3    7    9   10   11   11   12   15   17   32   37   39   42   45   48   50   61   64 
LCS_GDT     E    34_C     E    34_B      4    6   19      3    3    4    5    7    7   10   11   13   23   25   32   37   39   42   54   56   59   63   67 
LCS_GDT     V    35_C     V    35_B      4    6   27      3    3    5    6    9   15   19   23   28   32   39   46   51   57   60   64   66   68   72   75 
LCS_GDT     P    36_C     P    36_B      4   10   27      3    3    4    7   11   12   23   24   28   33   41   46   51   57   61   64   66   69   72   76 
LCS_GDT     E    37_C     E    37_B      4   10   27      3    3    6   13   25   27   32   34   37   40   45   49   54   57   63   66   69   72   74   78 
LCS_GDT     Q    38_C     Q    38_B      5   10   27      3    5   11   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     Y    39_C     Y    39_B      5   10   27      3    5    9   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     F    40_C     F    40_B      5   10   27      3   10   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     I    41_C     I    41_B      5   10   27      5   10   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     I    42_C     I    42_B      5   10   27      5   10   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     T    43_C     T    43_B      5   10   27      3   10   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     R    44_C     R    44_B      5   10   27      3    4   13   17   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     S    45_C     S    45_B      4   10   27      3    4    6    8   11   15   23   28   35   40   47   49   55   59   63   66   69   72   74   78 
LCS_GDT     T    46_C     T    46_B      4    9   27      3    4    6    7   11   15   23   28   35   40   47   49   55   59   63   66   69   72   74   78 
LCS_GDT     T    47_C     T    47_B      3    5   27      3    3    4    4    5    6    8   10   13   21   34   37   46   53   63   65   69   72   74   78 
LCS_GDT     E    48_C     E    48_B      3    5   27      3    3    4    7   10   15   19   24   32   36   39   46   51   57   63   66   69   72   74   78 
LCS_GDT     R    49_C     R    49_B      3    8   27      3    3    5    9   11   14   17   21   34   38   40   46   51   57   61   64   67   70   73   78 
LCS_GDT     S    50_C     S    50_B      3    9   27      3    3    5    9   11   14   17   23   34   38   40   47   52   57   61   66   67   72   74   78 
LCS_GDT     G    51_C     G    51_B      5    9   27      3    4    5    8   10   14   17   24   34   38   43   48   52   58   63   66   69   72   74   78 
LCS_GDT     G    52_C     G    52_B      5    9   27      4    4    6    9   11   14   19   28   34   40   47   49   55   59   63   66   69   72   74   78 
LCS_GDT     I    53_C     I    53_B      5    9   27      4    4    6    9   11   15   19   28   34   40   47   49   55   59   63   66   69   72   74   78 
LCS_GDT     P    54_C     P    54_B      5    9   27      4    4    6    9    9   10   18   27   35   40   47   49   52   59   62   66   69   72   74   78 
LCS_GDT     E    55_C     E    55_B      5    9   27      4    4    6    9    9   16   20   27   34   40   45   48   52   57   61   66   67   72   74   78 
LCS_GDT     G    56_C     G    56_B      5    9   27      3    3    6   10   12   14   18   21   31   37   39   46   51   57   61   64   66   69   73   77 
LCS_GDT     D    57_C     D    57_B      4    9   27      3    4    4    8    9   13   14   18   25   31   36   46   51   55   61   64   66   68   73   77 
LCS_GDT     I    58_C     I    58_B      4    9   27      3    4    6    9    9   13   14   20   25   32   39   46   51   57   61   64   66   69   73   77 
LCS_GDT     Y    59_C     Y    59_B      5    8   27      3    4    6    8    9   13   14   18   28   32   39   46   51   57   61   64   66   69   73   77 
LCS_GDT     L    60_C     L    60_B      5    8   27      3    4    6    8    9   13   14   19   28   32   39   46   51   57   61   64   66   69   73   78 
LCS_GDT     E    61_C     E    61_B      5    8   27      3    4    6    8    9   13   14   18   20   26   29   33   47   52   61   64   66   69   73   77 
LCS_GDT     S    62_C     S    62_B      5    8   26      3    4    6    8    9   13   14   15   20   23   29   33   39   42   51   57   62   69   73   77 
LCS_GDT     N    63_C     N    63_B      5    8   16      3    4    6    8    9   13   14   15   18   23   26   33   39   42   47   50   55   64   73   77 
LCS_GDT     L    64_C     L    64_B      5    8   16      3    4    6    8    8   10   11   15   18   26   29   33   34   41   50   56   62   68   73   78 
LCS_GDT     F    65_C     F    65_B      3    8   29      2    3    4    4    8    8   10   12   15   16   23   32   45   50   56   59   65   70   73   78 
LCS_GDT     L    66_C     L    66_B      3    5   51      1    3    4    5    8   10   14   25   33   38   43   48   53   59   62   66   69   72   74   78 
LCS_GDT     D    67_C     D    67_B      3    5   51      2    3    4    5    8   10   14   18   23   27   35   40   48   52   61   64   68   70   73   77 
LCS_GDT     F    68_C     F    68_B      3    7   51      3    3    4    5    8   12   13   15   20   27   27   28   38   44   49   59   63   68   71   77 
LCS_GDT     N    69_C     N    69_B      3    7   51      3    3    4    5    8   12   13   15   20   27   27   28   34   51   56   61   65   68   72   75 
LCS_GDT     P    70_C     P    70_B      3    7   51      3    3    4    7    9   12   13   18   29   37   43   47   53   58   62   65   68   71   74   78 
LCS_GDT     Y    71_C     Y    71_B      3    7   51      3    3    4    6   12   21   32   36   39   42   47   51   53   58   61   65   68   70   73   77 
LCS_GDT     G    72_C     G    72_B      3    7   51      3    3    4    5    9   17   25   32   37   42   47   51   53   58   62   65   68   71   74   78 
LCS_GDT     L    73_C     L    73_B      3    7   51      3    3    4   10   15   24   32   36   39   42   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     S    74_C     S    74_B      5   16   51      4    4   10   13   16   24   32   36   39   42   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     G    75_C     G    75_B      5   16   51      4    4    5   11   15   24   32   36   39   42   47   51   54   59   63   66   69   72   74   78 
LCS_GDT     Y    76_C     Y    76_B      5   16   51      4    6   11   13   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    77_C     L    77_B      5   16   51      4    6    9   13   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    78_C     L    78_B      5   16   51      3    8   11   13   15   24   32   36   39   42   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     S    79_C     S    79_B      4   16   51      3    4    5   13   16   24   32   36   39   42   47   51   55   58   61   64   67   72   74   78 
LCS_GDT     E    80_C     E    80_B      6   16   51      3    5    8   13   16   24   32   36   38   41   47   51   52   55   59   64   65   69   72   77 
LCS_GDT     P    81_C     P    81_B      6   16   51      3    6    9   13   16   24   32   36   39   41   47   51   53   56   60   64   65   69   73   78 
LCS_GDT     N    82_C     N    82_B      8   16   51      4    7    9   13   16   24   32   36   39   42   47   51   55   58   63   66   69   72   74   78 
LCS_GDT     C    83_C     C    83_B      8   16   51      4    7    9   13   16   24   32   36   39   42   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     V    84_C     V    84_B      8   16   51      5    7    9   18   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     D    85_C     D    85_B      8   16   51      5   10   15   18   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    86_C     L    86_B      8   16   51      5    7   14   17   19   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    87_C     L    87_B      8   16   51      4    7   10   13   18   23   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     I    88_C     I    88_B      8   16   51      5    7    9   13   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     E    89_C     E    89_B      8   16   51      5    7    9   13   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     P    90_C     P    90_B      4   15   51      3    3   12   14   15   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     N    91_C     N    91_B      7   15   51      3    5    9   13   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     N    92_C     N    92_B      7   15   51      3    6   11   14   20   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     Y    93_C     Y    93_B      7   15   51      3    8   11   14   20   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     V    94_C     V    94_B      7   13   51      4    8   11   13   16   25   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     R    95_C     R    95_B      7   13   51      3    8   12   18   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    96_C     L    96_B      7   13   51      4    8   12   18   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     R    97_C     R    97_B      7   13   51      4    8   11   15   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L    98_C     L    98_B      7   13   51      4    8   11   14   22   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     I    99_C     I    99_B      6   13   51      3    4    6    9   13   18   32   36   39   42   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     E   100_C     E   100_B      3   13   51      0    8   11   13   16   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     K   101_C     K   101_B      3   13   51      3    5   11   13   17   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     I   102_C     I   102_B      3   16   51      3    3    5    9   14   23   31   36   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     D   103_C     D   103_B     14   16   51      5    7   12   14   18   21   29   36   37   41   46   51   55   58   63   66   69   72   74   78 
LCS_GDT     I   104_C     I   104_B     14   16   51      6   13   13   15   19   24   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L   105_C     L   105_B     14   16   51      6   13   15   17   25   27   32   34   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     E   106_C     E   106_B     14   16   51      6   13   15   18   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     V   107_C     V   107_B     14   16   51      6   13   15   18   25   27   32   36   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     E   108_C     E   108_B     14   16   51      9   13   15   18   25   27   32   34   39   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     N   109_C     N   109_B     14   16   51      9   13   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     H   110_C     H   110_B     14   16   51      9   13   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L   111_C     L   111_B     14   16   51      9   13   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     K   112_C     K   112_B     14   16   51      9   13   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     F   113_C     F   113_B     14   16   51      9   13   13   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     L   114_C     L   114_B     14   16   51      9   13   13   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     F   115_C     F   115_B     14   16   51      9   13   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     D   116_C     D   116_B     14   16   51      9   13   15   18   25   27   32   34   38   43   47   51   55   59   63   66   69   72   74   78 
LCS_GDT     N   117_C     N   117_B      3   16   50      1    3    5    8   17   25   32   34   36   42   45   50   55   58   61   66   69   72   74   78 
LCS_AVERAGE  LCS_A:  14.83  (   4.98    9.36   30.14 )

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     13     15     18     25     27     32     36     39     43     47     51     55     59     63     66     69     72     74     78 
GDT PERCENT_AT   7.76  11.21  12.93  15.52  21.55  23.28  27.59  31.03  33.62  37.07  40.52  43.97  47.41  50.86  54.31  56.90  59.48  62.07  63.79  67.24
GDT RMS_LOCAL    0.29   0.65   1.03   1.40   1.75   1.87   2.23   2.90   3.19   3.38   3.73   3.94   4.18   4.62   4.84   5.09   5.23   5.46   5.63   5.99
GDT RMS_ALL_AT  12.20  11.91  10.66  10.93  11.04  11.04  10.99  14.66  14.42  10.87  13.41  13.04  11.35  10.54  10.58  10.45  10.62  10.56  10.58  10.54

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  D    67_C      D    67_B
#   possible swapping detected:  Y    71_C      Y    71_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  F   115_C      F   115_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    30.466     0    0.609   0.879    31.211    0.000    0.000
LGA    K     3_C      K     3_B    24.770     0    0.572   0.844    26.778    0.000    0.000
LGA    S     4_C      S     4_B    23.898     0    0.620   0.679    24.660    0.000    0.000
LGA    K     5_C      K     5_B    25.369     0    0.616   0.986    31.440    0.000    0.000
LGA    M     6_C      M     6_B    20.438     0    0.626   0.980    22.150    0.000    0.000
LGA    L     7_C      L     7_B    18.956     0    0.599   1.230    20.689    0.000    0.000
LGA    S     8_C      S     8_B    19.148     0    0.676   0.625    19.426    0.000    0.000
LGA    N     9_C      N     9_B    19.733     0    0.250   1.031    23.402    0.000    0.000
LGA    I    10_C      I    10_B    18.099     0    0.587   1.434    22.211    0.000    0.000
LGA    V    11_C      V    11_B    21.002     0    0.443   0.478    23.206    0.000    0.000
LGA    I    12_C      I    12_B    18.580     0    0.280   1.417    21.343    0.000    0.000
LGA    Q    13_C      Q    13_B    23.117     0    0.609   1.092    29.201    0.000    0.000
LGA    E    14_C      E    14_B    23.296     0    0.054   0.788    27.740    0.000    0.000
LGA    V    15_C      V    15_B    20.707     0    0.087   0.154    20.840    0.000    0.000
LGA    K    16_C      K    16_B    20.332     0    0.603   0.645    28.171    0.000    0.000
LGA    F    17_C      F    17_B    18.374     0    0.620   1.407    19.243    0.000    0.000
LGA    A    18_C      A    18_B    17.803     0    0.601   0.594    19.647    0.000    0.000
LGA    I    19_C      I    19_B    13.862     0    0.622   1.055    15.187    0.000    0.179
LGA    E    20_C      E    20_B    18.232     0    0.656   1.069    22.115    0.000    0.000
LGA    D    21_C      D    21_B    23.566     0    0.440   0.507    29.590    0.000    0.000
LGA    Y    22_C      Y    22_B    19.904     0    0.410   1.383    30.054    0.000    0.000
LGA    C    23_C      C    23_B    16.169     0    0.077   0.121    17.276    0.000    0.000
LGA    A    24_C      A    24_B    10.897     0    0.085   0.087    13.010    0.000    0.000
LGA    I    25_C      I    25_B     8.831     0    0.281   1.315    10.552    6.429    3.810
LGA    L    26_C      L    26_B     4.816     0    0.136   1.366     6.939   36.548   31.786
LGA    S    27_C      S    27_B     2.157     0    0.443   0.458     2.688   64.881   64.841
LGA    F    28_C      F    28_B     1.821     0    0.170   0.190     4.593   56.190   53.506
LGA    A    29_C      A    29_B     5.369     0    0.105   0.109     7.982   29.286   24.857
LGA    S    30_C      S    30_B     5.748     0    0.705   0.638     9.407   14.762   25.397
LGA    D    31_C      D    31_B    12.421     0    0.694   1.165    14.703    0.119    0.060
LGA    S    32_C      S    32_B    17.376     0    0.265   0.729    20.771    0.000    0.000
LGA    Y    33_C      Y    33_B    18.420     0    0.624   1.244    18.615    0.000    0.000
LGA    E    34_C      E    34_B    18.535     0    0.466   1.155    25.553    0.000    0.000
LGA    V    35_C      V    35_B    15.873     0    0.324   0.372    19.099    0.000    0.000
LGA    P    36_C      P    36_B    14.547     0    0.643   1.017    15.710    0.000    0.000
LGA    E    37_C      E    37_B    13.893     0    0.617   0.890    18.930    0.000    0.000
LGA    Q    38_C      Q    38_B     8.393     0    0.609   0.586    10.555    3.690    3.069
LGA    Y    39_C      Y    39_B     7.066     0    0.180   0.286     8.504    8.571    9.286
LGA    F    40_C      F    40_B     7.018     0    0.058   0.123     7.208   11.667   11.818
LGA    I    41_C      I    41_B     7.626     0    0.071   1.076    11.218    7.262    6.429
LGA    I    42_C      I    42_B     7.871     0    0.156   0.250     9.801    4.048   12.857
LGA    T    43_C      T    43_B    11.105     0    0.098   0.827    14.649    0.119    0.068
LGA    R    44_C      R    44_B    13.681     0    0.083   0.947    15.701    0.000    0.000
LGA    S    45_C      S    45_B    17.511     0    0.275   0.308    18.678    0.000    0.000
LGA    T    46_C      T    46_B    18.588     0    0.472   0.516    20.105    0.000    0.000
LGA    T    47_C      T    47_B    16.787     0    0.137   1.074    17.726    0.000    0.000
LGA    E    48_C      E    48_B    20.462     0    0.715   1.140    22.339    0.000    0.000
LGA    R    49_C      R    49_B    26.912     0    0.086   1.137    36.590    0.000    0.000
LGA    S    50_C      S    50_B    24.229     0    0.108   0.554    28.286    0.000    0.000
LGA    G    51_C      G    51_B    21.809     0    0.643   0.643    23.582    0.000    0.000
LGA    G    52_C      G    52_B    22.619     0    0.177   0.177    22.619    0.000    0.000
LGA    I    53_C      I    53_B    23.079     0    0.172   1.087    24.355    0.000    0.000
LGA    P    54_C      P    54_B    22.963     0    0.196   0.559    23.230    0.000    0.000
LGA    E    55_C      E    55_B    24.943     0    0.582   0.691    27.796    0.000    0.000
LGA    G    56_C      G    56_B    27.047     0    0.189   0.189    27.047    0.000    0.000
LGA    D    57_C      D    57_B    26.192     0    0.584   1.296    30.561    0.000    0.000
LGA    I    58_C      I    58_B    22.162     0    0.669   0.891    23.284    0.000    0.000
LGA    Y    59_C      Y    59_B    21.509     0    0.096   1.402    26.547    0.000    0.000
LGA    L    60_C      L    60_B    17.548     0    0.111   1.147    19.389    0.000    0.000
LGA    E    61_C      E    61_B    19.742     0    0.323   0.572    27.307    0.000    0.000
LGA    S    62_C      S    62_B    18.377     0    0.121   0.658    19.676    0.000    0.000
LGA    N    63_C      N    63_B    21.296     0    0.659   1.067    26.657    0.000    0.000
LGA    L    64_C      L    64_B    18.717     0    0.064   0.253    19.315    0.000    0.000
LGA    F    65_C      F    65_B    18.992     0    0.160   0.565    27.367    0.000    0.000
LGA    L    66_C      L    66_B    14.207     0    0.631   1.259    15.420    0.000    0.060
LGA    D    67_C      D    67_B    15.438     0    0.630   1.394    17.720    0.000    0.000
LGA    F    68_C      F    68_B    15.976     0    0.583   1.190    18.141    0.000    0.000
LGA    N    69_C      N    69_B    13.308     0    0.196   0.961    14.856    0.119    0.060
LGA    P    70_C      P    70_B     9.980     0    0.073   0.639    13.096    3.690    2.109
LGA    Y    71_C      Y    71_B     3.835     0    0.475   1.110     8.358   33.690   42.262
LGA    G    72_C      G    72_B     5.875     0    0.700   0.700     5.875   26.310   26.310
LGA    L    73_C      L    73_B     2.918     0    0.144   0.335     6.756   65.357   49.345
LGA    S    74_C      S    74_B     0.617     0    0.621   0.766     4.695   64.881   66.667
LGA    G    75_C      G    75_B     3.055     0    0.092   0.092     3.055   67.262   67.262
LGA    Y    76_C      Y    76_B     1.627     0    0.056   1.471    12.024   60.000   26.310
LGA    L    77_C      L    77_B     2.142     0    0.067   0.959     8.669   75.833   44.048
LGA    L    78_C      L    78_B     2.859     0    0.266   1.048     8.722   73.214   41.726
LGA    S    79_C      S    79_B     3.039     0    0.071   0.116     4.474   55.476   49.365
LGA    E    80_C      E    80_B     3.515     0    0.374   1.217     6.693   35.476   30.159
LGA    P    81_C      P    81_B     3.393     0    0.036   0.470     4.430   46.786   46.327
LGA    N    82_C      N    82_B     3.407     0    0.116   0.595     8.093   48.571   34.345
LGA    C    83_C      C    83_B     3.091     0    0.113   0.690     3.173   55.357   57.381
LGA    V    84_C      V    84_B     2.650     0    0.043   0.042     3.591   51.905   56.327
LGA    D    85_C      D    85_B     3.168     0    0.095   0.291     4.015   51.786   47.619
LGA    L    86_C      L    86_B     3.018     0    0.036   1.113     3.728   48.333   57.798
LGA    L    87_C      L    87_B     3.818     0    0.085   0.132     5.640   48.333   38.690
LGA    I    88_C      I    88_B     3.229     0    0.613   0.749     3.994   48.333   54.643
LGA    E    89_C      E    89_B     3.407     0    0.073   1.119     8.674   45.357   26.085
LGA    P    90_C      P    90_B     2.773     0    0.604   1.092     5.693   55.595   44.082
LGA    N    91_C      N    91_B     2.043     0    0.147   0.751     7.131   68.810   46.726
LGA    N    92_C      N    92_B     1.509     0    0.061   0.121     2.217   77.143   71.964
LGA    Y    93_C      Y    93_B     2.439     0    0.162   1.272     6.619   60.952   50.476
LGA    V    94_C      V    94_B     2.679     0    0.038   0.150     3.494   57.143   54.082
LGA    R    95_C      R    95_B     2.134     0    0.042   1.003     3.467   64.762   62.165
LGA    L    96_C      L    96_B     2.803     0    0.068   0.876     4.086   57.143   53.750
LGA    R    97_C      R    97_B     2.855     0    0.238   1.328     8.168   62.976   40.043
LGA    L    98_C      L    98_B     3.187     0    0.630   1.454     5.149   45.833   56.548
LGA    I    99_C      I    99_B     3.652     0    0.129   1.291     8.192   53.690   34.405
LGA    E   100_C      E   100_B     2.815     0    0.441   0.816     7.755   53.571   34.603
LGA    K   101_C      K   101_B     2.229     0    0.468   0.744     6.663   77.619   51.746
LGA    I   102_C      I   102_B     3.667     0    0.534   0.551     8.769   42.024   26.905
LGA    D   103_C      D   103_B     4.876     0    0.577   1.423    10.003   45.714   27.679
LGA    I   104_C      I   104_B     4.218     0    0.098   0.943     8.746   37.262   25.000
LGA    L   105_C      L   105_B     5.806     0    0.063   1.418     9.111   25.119   17.321
LGA    E   106_C      E   106_B     2.912     0    0.035   1.147     5.207   50.357   45.820
LGA    V   107_C      V   107_B     2.160     0    0.030   0.084     4.223   56.190   64.558
LGA    E   108_C      E   108_B     5.173     0    0.070   0.997     8.075   24.167   17.460
LGA    N   109_C      N   109_B     8.137     0    0.035   0.089     9.767    5.833    4.524
LGA    H   110_C      H   110_B     8.037     0    0.029   1.093     9.521    5.000    8.619
LGA    L   111_C      L   111_B     7.148     0    0.042   0.127     9.194    6.548   20.298
LGA    K   112_C      K   112_B    10.219     0    0.070   0.587    12.347    0.714    0.317
LGA    F   113_C      F   113_B    13.089     0    0.071   0.098    17.482    0.000    0.000
LGA    L   114_C      L   114_B    12.643     0    0.318   0.283    15.736    0.000    0.000
LGA    F   115_C      F   115_B    11.642     0    0.211   0.639    12.877    0.000    1.905
LGA    D   116_C      D   116_B    15.326     0    0.589   0.776    18.859    0.000    0.000
LGA    N   117_C      N   117_B    15.950     0    0.172   1.041    16.849    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):    10.283         10.227                 10.998           19.688   17.016

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     36    2.90    28.664    24.312     1.202

LGA_LOCAL      RMSD:   2.896  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.661  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  10.283  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.827828 * X  +  -0.560773 * Y  +   0.015326 * Z  + -15.484790
  Y_new =   0.376901 * X  +   0.535740 * Y  +  -0.755598 * Z  + -16.123518
  Z_new =   0.415508 * X  +   0.631281 * Y  +   0.654856 * Z  + -61.077522 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.427244 -0.428502  0.767070   [DEG:   24.4793  -24.5513   43.9499 ]
ZXZ:  0.020280  0.856804  0.582117   [DEG:    1.1620   49.0912   33.3529 ]
 
# END of job
