
#######################################################
#                                                     #
#                        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  114 (  837),  selected  112 , name one
# Molecule2: number of CA atoms  113 (  828),  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:    79      40_A - 118_A       4.79    17.15
  LCS_AVERAGE:     62.54

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      45_A - 92_A        1.94    17.21
  LCS_AVERAGE:     34.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37       7_A - 43_A        0.92    34.16
  LCS_AVERAGE:     22.50

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     E     7_A     E     7_A     37   39   50     15   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     C     8_A     C     8_A     37   39   50     17   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     A     9_A     A     9_A     37   39   50      9   29   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     S    10_A     S    10_A     37   39   50      4   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     N    11_A     N    11_A     37   39   50      4   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     P    12_A     P    12_A     37   39   50     15   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     C    13_A     C    13_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     L    14_A     L    14_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     N    15_A     N    15_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     Q    16_A     Q    16_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     G    17_A     G    17_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     T    18_A     T    18_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     C    19_A     C    19_A     37   39   50      9   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     I    20_A     I    20_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     D    21_A     D    21_A     37   39   50     15   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     D    22_A     D    22_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   53   55   57 
LCS_GDT     V    23_A     V    23_A     37   39   50     18   30   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   53   55   57 
LCS_GDT     A    24_A     A    24_A     37   39   50      3    4    6   34   37   38   38   39   39   41   42   43   45   45   47   49   50   53   55   57 
LCS_GDT     G    25_A     G    25_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   53   55   57 
LCS_GDT     Y    26_A     Y    26_A     37   39   50     15   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   53   55   57 
LCS_GDT     K    27_A     K    27_A     37   39   50      6   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   53   55   57 
LCS_GDT     C    28_A     C    28_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   53   55   57 
LCS_GDT     N    29_A     N    29_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     C    30_A     C    30_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     L    31_A     L    31_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     L    32_A     L    32_A     37   39   50      3   16   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   50   52   56 
LCS_GDT     P    33_A     P    33_A     37   39   50     17   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   49   53   55   57 
LCS_GDT     Y    34_A     Y    34_A     37   39   50     16   31   36   37   37   38   38   39   39   41   42   43   45   46   48   51   58   67   71   77 
LCS_GDT     T    35_A     T    35_A     37   39   50      5   31   36   37   37   38   38   39   39   41   42   43   45   53   61   67   72   75   77   77 
LCS_GDT     G    36_A     G    36_A     37   39   50     18   31   36   37   37   38   38   39   39   41   42   43   51   58   65   69   73   76   77   77 
LCS_GDT     A    37_A     A    37_A     37   39   50      4   26   36   37   37   38   38   39   39   41   42   43   45   46   48   52   60   67   71   76 
LCS_GDT     T    38_A     T    38_A     37   39   53     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   50   54   59   62 
LCS_GDT     C    39_A     C    39_A     37   39   71     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   49   57   61   69   73 
LCS_GDT     E    40_A     E    40_A     37   39   79     18   31   36   37   37   38   38   39   39   41   42   43   45   46   48   51   60   64   71   76 
LCS_GDT     V    41_A     V    41_A     37   39   79     13   31   36   37   37   38   38   39   39   41   42   49   57   69   70   73   75   76   77   77 
LCS_GDT     V    42_A     V    42_A     37   39   79     11   31   36   37   37   38   38   39   39   41   49   59   67   69   73   74   75   76   77   77 
LCS_GDT     L    43_A     L    43_A     37   39   79      7   29   36   37   37   38   38   39   39   54   65   68   70   71   73   74   75   76   77   77 
LCS_GDT     A    44_A     A    44_A     20   47   79      3    9   31   37   37   38   38   49   59   64   68   69   71   73   73   74   75   76   77   77 
LCS_GDT     P    45_A     P    45_A     18   48   79      3   23   35   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    46_A     C    46_A     18   48   79     15   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     A    47_A     A    47_A     18   48   79      8   29   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     P    48_A     P    48_A     18   48   79      6   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     S    49_A     S    49_A     18   48   79      6   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     P    50_A     P    50_A     18   48   79     10   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    51_A     C    51_A     18   48   79     13   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     R    52_A     R    52_A     18   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     N    53_A     N    53_A     18   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G    54_A     G    54_A     18   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G    55_A     G    55_A     18   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     E    56_A     E    56_A     18   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    57_A     C    57_A     18   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     R    58_A     R    58_A     18   48   79     17   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Q    59_A     Q    59_A     18   48   79     17   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     S    60_A     S    60_A     18   48   79      4   12   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     E    61_A     E    61_A     18   48   79      4   12   30   40   42   47   55   63   66   67   68   70   71   73   73   74   75   76   77   77 
LCS_GDT     D    62_A     D    62_A     18   48   79      4   29   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Y    63_A     Y    63_A      3   48   79      3    3    6    9   11   38   43   54   58   64   68   69   71   73   73   74   75   76   77   77 
LCS_GDT     E    64_A     E    64_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     S    65_A     S    65_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     F    66_A     F    66_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     S    67_A     S    67_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    68_A     C    68_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     V    69_A     V    69_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    70_A     C    70_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     P    71_A     P    71_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     T    72_A     T    72_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G    73_A     G    73_A     22   48   79      3   21   36   40   42   43   46   58   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     W    74_A     W    74_A     22   48   79     16   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Q    75_A     Q    75_A     22   48   79      3   18   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G    76_A     G    76_A     22   48   79      5   28   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Q    77_A     Q    77_A     22   48   79     10   24   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     T    78_A     T    78_A     22   48   79     10   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    79_A     C    79_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     E    80_A     E    80_A     22   48   79     18   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     V    81_A     V    81_A     22   48   79     15   30   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     D    82_A     D    82_A     22   48   79     15   30   37   40   43   47   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     I    83_A     I    83_A     26   48   79     14   30   37   40   43   46   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     N    84_A     N    84_A     26   48   79      4   29   37   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     E    85_A     E    85_A     26   48   79     18   30   37   40   43   47   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    86_A     C    86_A     26   48   79      6   22   34   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     V    87_A     V    87_A     26   48   79      4   22   25   28   31   43   46   59   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     L    88_A     L    88_A     26   48   79      4    7   24   28   31   33   44   47   54   62   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     S    89_A     S    89_A     26   48   79      3   22   25   33   43   48   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     P    90_A     P    90_A     26   48   79     10   24   34   40   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    91_A     C    91_A     26   48   79     10   22   25   32   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     R    92_A     R    92_A     26   48   79      3   17   25   28   43   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     H    93_A     H    93_A     26   31   79      3    7   24   28   31   40   55   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G    94_A     G    94_A     26   31   79      9   22   25   28   33   40   52   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     A    95_A     A    95_A     26   31   79      9   22   25   28   33   48   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     S    96_A     S    96_A     26   31   79     10   22   25   28   33   46   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C    97_A     C    97_A     26   31   79     10   22   25   29   41   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Q    98_A     Q    98_A     26   31   79      9   22   25   28   39   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     N    99_A     N    99_A     26   31   79      9   22   25   32   41   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     T   100_A     T   100_A     26   31   79     10   22   25   28   36   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     H   101_A     H   101_A     26   31   79     10   22   25   28   32   44   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G   102_A     G   102_A     26   31   79      3   16   25   28   32   44   54   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G   103_A     G   103_A     26   31   79     10   22   25   28   31   37   52   60   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Y   104_A     Y   104_A     26   31   79     10   22   25   28   37   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     R   105_A     R   105_A     26   31   79      5   22   25   28   32   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C   106_A     C   106_A     26   31   79     10   22   25   28   37   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     H   107_A     H   107_A     26   31   79     10   22   25   28   32   40   52   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C   108_A     C   108_A     26   31   79      5   22   25   28   31   37   42   56   65   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     Q   109_A     Q   109_A      4   31   79      3    5   13   25   37   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     A   110_A     A   110_A      4   30   79      3    4    5    6    8   27   29   43   60   68   69   70   71   73   73   74   75   76   76   77 
LCS_GDT     G   111_A     G   111_A      4    8   79      3    4    5    6    8   13   21   27   35   37   55   59   71   71   72   73   74   75   75   77 
LCS_GDT     Y   112_A     Y   112_A      3    8   79      3    5    8   10   14   19   20   22   34   38   40   46   49   67   69   72   72   75   75   77 
LCS_GDT     S   113_A     S   113_A      3    8   79      3    3    4    6    8   17   31   44   61   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     G   114_A     G   114_A      3    8   79      3    3    4    4    8   17   21   27   49   63   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     R   115_A     R   115_A      4    8   79      3    7   11   28   31   37   53   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     N   116_A     N   116_A      4    5   79      3    7   24   28   39   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     C   117_A     C   117_A      4    5   79      3   22   25   28   39   49   56   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_GDT     E   118_A     E   118_A      4    5   79      3   12   20   27   31   44   52   63   66   68   69   70   71   73   73   74   75   76   77   77 
LCS_AVERAGE  LCS_A:  39.95  (  22.50   34.81   62.54 )

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     18     31     37     40     43     49     56     63     66     68     69     70     71     73     73     74     75     76     77     77 
GDT PERCENT_AT  15.93  27.43  32.74  35.40  38.05  43.36  49.56  55.75  58.41  60.18  61.06  61.95  62.83  64.60  64.60  65.49  66.37  67.26  68.14  68.14
GDT RMS_LOCAL    0.34   0.57   0.80   0.97   1.51   2.01   2.25   2.51   2.65   2.91   3.00   3.03   3.11   3.32   3.32   3.50   3.78   4.07   4.65   4.05
GDT RMS_ALL_AT  17.12  34.00  16.94  16.80  17.48  18.12  18.26  18.35  18.40  18.84  18.92  18.73  18.78  18.37  18.37  18.15  17.82  17.46  16.58  17.97

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  Y   112_A      Y   112_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    42.677     0    0.108   0.389    44.303    0.000    0.000
LGA    C     8_A      C     8_A    42.107     0    0.044   0.176    43.540    0.000    0.000
LGA    A     9_A      A     9_A    46.737     0    0.169   0.170    48.311    0.000    0.000
LGA    S    10_A      S    10_A    43.606     0    0.480   0.749    44.407    0.000    0.000
LGA    N    11_A      N    11_A    40.034     0    0.296   0.838    42.878    0.000    0.000
LGA    P    12_A      P    12_A    35.018     0    0.113   0.163    37.306    0.000    0.000
LGA    C    13_A      C    13_A    31.688     0    0.075   0.152    33.320    0.000    0.000
LGA    L    14_A      L    14_A    29.218     0    0.041   0.146    31.415    0.000    0.000
LGA    N    15_A      N    15_A    27.316     0    0.045   1.027    28.668    0.000    0.000
LGA    Q    16_A      Q    16_A    32.344     0    0.092   1.328    35.273    0.000    0.000
LGA    G    17_A      G    17_A    31.277     0    0.082   0.082    34.570    0.000    0.000
LGA    T    18_A      T    18_A    36.313     0    0.111   0.122    37.730    0.000    0.000
LGA    C    19_A      C    19_A    37.618     0    0.034   0.664    40.522    0.000    0.000
LGA    I    20_A      I    20_A    39.261     0    0.137   0.478    39.626    0.000    0.000
LGA    D    21_A      D    21_A    40.866     0    0.061   1.207    44.047    0.000    0.000
LGA    D    22_A      D    22_A    38.557     0    0.057   0.265    39.122    0.000    0.000
LGA    V    23_A      V    23_A    38.880     0    0.623   1.402    41.158    0.000    0.000
LGA    A    24_A      A    24_A    34.005     0    0.509   0.525    35.508    0.000    0.000
LGA    G    25_A      G    25_A    34.151     0    0.029   0.029    34.542    0.000    0.000
LGA    Y    26_A      Y    26_A    34.972     0    0.044   0.163    35.894    0.000    0.000
LGA    K    27_A      K    27_A    31.910     0    0.103   0.714    34.068    0.000    0.000
LGA    C    28_A      C    28_A    30.511     0    0.031   0.684    30.889    0.000    0.000
LGA    N    29_A      N    29_A    30.619     0    0.056   0.370    34.767    0.000    0.000
LGA    C    30_A      C    30_A    26.823     0    0.042   0.066    27.812    0.000    0.000
LGA    L    31_A      L    31_A    26.996     0    0.216   1.015    29.861    0.000    0.000
LGA    L    32_A      L    32_A    24.136     0    0.637   1.025    25.237    0.000    0.000
LGA    P    33_A      P    33_A    18.995     0    0.078   0.430    22.376    0.000    0.000
LGA    Y    34_A      Y    34_A    19.459     0    0.026   1.213    22.551    0.000    0.000
LGA    T    35_A      T    35_A    17.981     0    0.011   0.059    18.265    0.000    0.000
LGA    G    36_A      G    36_A    18.265     0    0.054   0.054    22.020    0.000    0.000
LGA    A    37_A      A    37_A    23.293     0    0.035   0.045    26.340    0.000    0.000
LGA    T    38_A      T    38_A    25.735     0    0.235   1.027    27.102    0.000    0.000
LGA    C    39_A      C    39_A    22.861     0    0.042   0.053    26.254    0.000    0.000
LGA    E    40_A      E    40_A    21.126     0    0.150   0.968    21.656    0.000    0.000
LGA    V    41_A      V    41_A    15.270     0    0.024   1.050    17.438    0.000    0.000
LGA    V    42_A      V    42_A    13.538     0    0.056   0.081    16.126    0.119    0.068
LGA    L    43_A      L    43_A    10.382     0    0.609   1.221    14.529    0.119    0.060
LGA    A    44_A      A    44_A     8.081     0    0.236   0.260     9.741   11.548    9.333
LGA    P    45_A      P    45_A     1.430     0    0.694   0.617     5.154   74.167   58.776
LGA    C    46_A      C    46_A     1.357     0    0.111   0.105     1.728   81.429   78.571
LGA    A    47_A      A    47_A     1.510     0    0.046   0.047     1.632   75.000   76.286
LGA    P    48_A      P    48_A     2.030     0    0.065   0.175     2.175   66.786   67.075
LGA    S    49_A      S    49_A     2.119     0    0.019   0.059     2.269   68.810   67.460
LGA    P    50_A      P    50_A     1.796     0    0.038   0.045     1.907   77.143   75.306
LGA    C    51_A      C    51_A     1.214     0    0.130   0.234     1.663   79.286   80.000
LGA    R    52_A      R    52_A     1.899     0    0.019   1.280     5.604   70.833   57.446
LGA    N    53_A      N    53_A     2.741     0    0.039   0.413     3.600   57.262   57.440
LGA    G    54_A      G    54_A     3.048     0    0.062   0.062     3.048   57.262   57.262
LGA    G    55_A      G    55_A     1.865     0    0.046   0.046     2.322   70.833   70.833
LGA    E    56_A      E    56_A     1.626     0    0.073   1.108     4.780   77.143   61.164
LGA    C    57_A      C    57_A     1.064     0    0.042   0.103     1.405   83.690   82.937
LGA    R    58_A      R    58_A     0.504     0    0.037   0.308     1.420   92.857   93.983
LGA    Q    59_A      Q    59_A     0.983     0    0.070   0.695     4.275   85.952   70.317
LGA    S    60_A      S    60_A     1.985     0    0.139   0.690     4.920   70.952   62.063
LGA    E    61_A      E    61_A     3.596     0    0.669   0.920     5.121   44.167   42.540
LGA    D    62_A      D    62_A     1.610     0    0.154   0.553     5.267   63.214   52.262
LGA    Y    63_A      Y    63_A     7.000     0    0.544   0.710    16.893   16.905    5.675
LGA    E    64_A      E    64_A     2.314     0    0.561   0.676     3.769   53.810   65.661
LGA    S    65_A      S    65_A     2.332     0    0.044   0.620     2.552   68.810   67.540
LGA    F    66_A      F    66_A     1.483     0    0.029   0.082     2.491   79.286   72.987
LGA    S    67_A      S    67_A     0.680     0    0.025   0.063     0.798   90.476   90.476
LGA    C    68_A      C    68_A     0.792     0    0.031   0.055     1.093   90.476   88.968
LGA    V    69_A      V    69_A     1.089     0    0.080   0.083     1.754   81.548   82.789
LGA    C    70_A      C    70_A     1.785     0    0.067   0.103     2.548   66.905   70.317
LGA    P    71_A      P    71_A     2.669     0    0.070   0.380     2.949   60.952   60.408
LGA    T    72_A      T    72_A     3.259     0    0.620   0.946     5.705   61.905   48.367
LGA    G    73_A      G    73_A     4.942     0    0.136   0.136     4.950   39.048   39.048
LGA    W    74_A      W    74_A     2.664     0    0.074   1.124     6.777   55.595   45.374
LGA    Q    75_A      Q    75_A     2.279     0    0.646   0.771     3.916   64.881   65.291
LGA    G    76_A      G    76_A     2.465     0    0.037   0.037     2.990   64.881   64.881
LGA    Q    77_A      Q    77_A     1.915     0    0.057   0.952     5.740   77.143   53.175
LGA    T    78_A      T    78_A     0.421     0    0.113   0.133     1.854   92.976   89.388
LGA    C    79_A      C    79_A     1.156     0    0.056   0.060     1.934   81.548   81.508
LGA    E    80_A      E    80_A     1.218     0    0.141   0.958     6.026   75.119   58.519
LGA    V    81_A      V    81_A     2.309     0    0.070   1.081     4.183   62.976   57.687
LGA    D    82_A      D    82_A     3.463     0    0.057   0.894     6.657   46.667   36.369
LGA    I    83_A      I    83_A     3.717     0    0.041   1.283     6.138   46.667   45.238
LGA    N    84_A      N    84_A     3.096     0    0.116   0.392     3.897   48.333   52.798
LGA    E    85_A      E    85_A     3.642     0    0.121   1.261     4.431   46.667   42.751
LGA    C    86_A      C    86_A     2.793     0    0.085   0.104     4.341   48.690   59.683
LGA    V    87_A      V    87_A     4.997     0    0.035   0.105     6.534   25.833   25.442
LGA    L    88_A      L    88_A     6.756     0    0.540   1.190    11.534   24.524   12.857
LGA    S    89_A      S    89_A     3.351     0    0.353   0.702     6.088   43.690   38.175
LGA    P    90_A      P    90_A     2.843     0    0.153   0.185     3.106   65.000   63.946
LGA    C    91_A      C    91_A     1.090     0    0.038   0.130     2.719   73.214   74.524
LGA    R    92_A      R    92_A     2.580     0    0.598   1.137     5.922   48.690   50.693
LGA    H    93_A      H    93_A     3.762     0    0.596   1.054     7.345   36.310   31.381
LGA    G    94_A      G    94_A     4.016     0    0.144   0.144     4.661   40.476   40.476
LGA    A    95_A      A    95_A     3.082     0    0.017   0.030     3.082   53.571   54.286
LGA    S    96_A      S    96_A     3.291     0    0.025   0.587     5.977   57.381   48.016
LGA    C    97_A      C    97_A     1.433     0    0.063   0.153     2.215   72.976   77.302
LGA    Q    98_A      Q    98_A     2.076     0    0.071   0.240     4.620   68.810   55.608
LGA    N    99_A      N    99_A     1.566     0    0.069   0.892     4.012   70.952   64.643
LGA    T   100_A      T   100_A     2.851     0    0.115   0.171     3.434   59.048   55.170
LGA    H   101_A      H   101_A     3.472     0    0.188   1.045     9.168   48.333   28.286
LGA    G   102_A      G   102_A     3.825     0    0.061   0.061     4.332   40.238   40.238
LGA    G   103_A      G   103_A     4.505     0    0.142   0.142     4.505   38.810   38.810
LGA    Y   104_A      Y   104_A     2.669     0    0.029   0.296     4.484   53.571   51.587
LGA    R   105_A      R   105_A     2.789     0    0.047   1.411     3.803   60.952   57.359
LGA    C   106_A      C   106_A     2.447     0    0.063   0.069     3.533   53.810   58.810
LGA    H   107_A      H   107_A     3.871     0    0.079   1.048     4.672   41.905   40.952
LGA    C   108_A      C   108_A     4.973     0    0.565   0.565     6.370   27.857   25.714
LGA    Q   109_A      Q   109_A     2.742     0    0.066   1.386     5.809   41.786   43.968
LGA    A   110_A      A   110_A     7.624     0    0.078   0.078     8.451    9.524    8.571
LGA    G   111_A      G   111_A    10.489     0    0.677   0.677    13.141    0.119    0.119
LGA    Y   112_A      Y   112_A    11.903     0    0.593   1.315    22.500    0.119    0.040
LGA    S   113_A      S   113_A     7.803     0    0.068   0.590     9.447    3.690    5.476
LGA    G   114_A      G   114_A     7.825     0    0.102   0.102     7.825   21.667   21.667
LGA    R   115_A      R   115_A     3.987     0    0.578   1.692    13.529   37.976   19.524
LGA    N   116_A      N   116_A     2.275     0    0.228   1.019     7.676   64.762   44.345
LGA    C   117_A      C   117_A     2.143     0    0.139   0.872     4.184   62.857   60.238
LGA    E   118_A      E   118_A     3.962     0    0.684   1.420     8.495   36.548   27.778

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     821    821  100.00               113
SUMMARY(RMSD_GDC):    11.356         11.342                 11.432           37.308   34.797

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  114  113    4.0     63    2.51    46.018    44.719     2.414

LGA_LOCAL      RMSD:   2.510  Number of atoms:   63  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.352  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:  11.356  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.620832 * X  +   0.758411 * Y  +  -0.198443 * Z  +  50.233730
  Y_new =  -0.771634 * X  +   0.635863 * Y  +   0.016077 * Z  + 127.877602
  Z_new =   0.138376 * X  +   0.143144 * Y  +   0.979981 * Z  +  70.301689 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.893276 -0.138821  0.145042   [DEG:  -51.1810   -7.9539    8.3103 ]
ZXZ: -1.651637  0.200432  0.768462   [DEG:  -94.6318   11.4839   44.0296 ]
 
# END of job
