
#######################################################
#                                                     #
#                        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  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67       5_C - 71_C        4.87    11.90
  LONGEST_CONTINUOUS_SEGMENT:    67       6_C - 72_C        5.00    12.02
  LCS_AVERAGE:     58.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_C - 109_C       1.75    13.67
  LCS_AVERAGE:     25.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      76_C - 107_C       0.95    12.97
  LONGEST_CONTINUOUS_SEGMENT:    32      77_C - 108_C       0.90    12.37
  LONGEST_CONTINUOUS_SEGMENT:    32      78_C - 109_C       0.76    11.93
  LCS_AVERAGE:     20.67

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     2_C     L     2_C      3    3   32      0    3    3    3    4    6    7    9   14   21   27   28   28   34   45   48   58   63   75   79 
LCS_GDT     P     3_C     P     3_C      4    4   32      3    4    4    5    5    6    7    9   14   18   25   28   28   28   45   48   62   69   75   79 
LCS_GDT     D     4_C     D     4_C      4    4   32      3    4    4    5    7   12   18   24   25   28   29   32   41   54   58   63   67   69   72   78 
LCS_GDT     E     5_C     E     5_C      4   25   67      3    4    5    6    6   11   17   24   25   43   50   60   65   68   70   71   73   74   76   80 
LCS_GDT     E     6_C     E     6_C      4   25   67      3    4    5    6    6   11   17   33   40   45   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     K     7_C     K     7_C     22   25   67      5   12   20   23   23   23   23   32   40   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     L     8_C     L     8_C     22   25   67     10   18   20   23   23   23   23   24   27   31   41   58   65   68   70   72   75   78   81   85 
LCS_GDT     K     9_C     K     9_C     22   25   67     10   17   20   23   23   23   23   24   30   45   52   58   65   68   70   72   75   78   81   85 
LCS_GDT     L    10_C     L    10_C     22   25   67     10   18   20   23   23   23   23   27   38   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     L    11_C     L    11_C     22   25   67     10   18   20   23   23   23   23   24   27   43   52   60   65   68   70   72   74   78   81   85 
LCS_GDT     D    12_C     D    12_C     22   25   67     10   18   20   23   23   23   23   24   27   31   44   58   65   68   70   72   75   78   81   85 
LCS_GDT     T    13_C     T    13_C     22   25   67     10   18   20   23   23   23   23   28   38   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     L    14_C     L    14_C     22   25   67     10   18   20   23   23   23   23   24   34   46   53   60   65   68   70   72   74   78   81   85 
LCS_GDT     L    15_C     L    15_C     22   25   67     10   18   20   23   23   23   23   24   30   35   48   58   65   68   70   72   75   78   81   85 
LCS_GDT     T    16_C     T    16_C     22   25   67      9   18   20   23   23   23   23   24   36   46   52   59   65   68   70   72   75   78   81   85 
LCS_GDT     M    17_C     M    17_C     22   25   67     10   18   20   23   23   23   23   25   38   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     V    18_C     V    18_C     22   25   67      9   18   20   23   23   23   23   24   27   40   53   60   65   68   70   72   74   78   81   85 
LCS_GDT     E    19_C     E    19_C     22   25   67      9   18   20   23   23   23   23   24   30   45   52   59   65   68   70   72   75   78   81   85 
LCS_GDT     W    20_C     W    20_C     22   25   67     10   18   20   23   23   23   23   27   38   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     V    21_C     V    21_C     22   25   67      9   18   20   23   23   23   23   24   27   42   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     K    22_C     K    22_C     22   25   67      9   18   20   23   23   23   23   24   36   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     E    23_C     E    23_C     22   25   67      9   18   20   23   23   23   23   28   38   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     L    24_C     L    24_C     22   25   67      9   18   20   23   23   23   23   24   27   32   49   60   65   68   70   72   75   78   81   85 
LCS_GDT     L    25_C     L    25_C     22   25   67      9   18   20   23   23   23   23   24   27   39   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     E    26_C     E    26_C     22   25   67      9   18   20   23   23   23   23   29   38   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     E    27_C     E    27_C     22   25   67      3   18   20   23   23   23   23   24   27   39   49   60   65   68   70   72   75   78   81   85 
LCS_GDT     S    28_C     S    28_C     22   25   67      3   15   20   23   23   23   23   24   27   31   50   60   65   68   70   72   75   78   81   85 
LCS_GDT     V    29_C     V    29_C     22   25   67      3    6   20   23   23   23   23   24   27   43   53   59   65   68   70   72   75   78   81   85 
LCS_GDT     E    30_C     E    30_C      4   24   67      3    4    4    4    6   10   17   26   37   46   53   59   65   68   70   72   75   78   81   85 
LCS_GDT     K    31_C     K    31_C      4   25   67      3    3    4   13   16   19   29   35   39   46   53   59   65   68   70   72   75   78   81   84 
LCS_GDT     N    32_C     N    32_C      4   26   67      3    3    4    4    4   25   31   39   40   41   48   53   61   64   69   72   75   78   81   85 
LCS_GDT     S    33_C     S    33_C     23   27   67      4   21   22   23   24   31   39   43   47   50   52   60   65   68   70   72   75   78   81   85 
LCS_GDT     R    34_C     R    34_C     23   27   67     13   21   22   23   23   31   37   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     M    35_C     M    35_C     23   27   67     13   21   22   23   23   31   37   39   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     R    36_C     R    36_C     23   27   67     14   21   22   23   23   31   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     H    37_C     H    37_C     23   27   67     14   21   22   23   27   34   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     I    38_C     I    38_C     23   27   67     14   21   22   23   23   31   37   39   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     R    39_C     R    39_C     23   27   67     14   21   22   23   23   31   37   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     A    40_C     A    40_C     23   27   67     14   21   22   23   28   34   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     V    41_C     V    41_C     23   27   67     14   21   22   23   23   31   37   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     M    42_C     M    42_C     23   27   67     14   21   22   23   23   31   37   39   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     W    43_C     W    43_C     23   27   67     14   21   22   23   26   34   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     A    44_C     A    44_C     23   27   67     14   21   22   23   32   34   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     E    45_C     E    45_C     23   27   67     14   21   22   23   23   31   37   39   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     Y    46_C     Y    46_C     23   27   67     14   21   22   23   23   31   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     M    47_C     M    47_C     23   27   67     14   21   22   25   32   34   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     L    48_C     L    48_C     23   27   67     14   21   22   23   23   31   37   39   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     E    49_C     E    49_C     23   27   67     14   21   22   23   23   30   37   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     I    50_C     I    50_C     23   27   67     14   21   22   23   32   34   39   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     A    51_C     A    51_C     23   27   67     13   21   22   23   28   33   37   39   42   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     R    52_C     R    52_C     23   27   67     13   21   22   23   23   31   37   39   40   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     S    53_C     S    53_C     23   27   67     13   21   22   23   23   31   38   43   47   50   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     L    54_C     L    54_C     23   27   67      4   18   22   28   33   33   37   39   40   46   53   60   65   68   70   72   75   78   81   85 
LCS_GDT     E    55_C     E    55_C     23   27   67      4    6   20   23   23   31   37   39   40   46   53   60   65   68   70   72   73   77   81   85 
LCS_GDT     D    56_C     D    56_C     15   27   67      5   12   15   27   32   35   37   39   42   46   53   60   65   68   70   72   73   75   80   85 
LCS_GDT     E    57_C     E    57_C     15   27   67     10   14   15   15   17   25   36   39   40   46   53   60   65   68   70   72   73   75   77   80 
LCS_GDT     K    58_C     K    58_C     15   27   67      8   14   15   15   21   31   37   39   40   46   53   60   65   68   70   72   73   75   76   80 
LCS_GDT     I    59_C     I    59_C     15   27   67      8   14   15   15   21   31   37   39   42   46   53   60   65   68   70   72   73   75   79   85 
LCS_GDT     L    60_C     L    60_C     15   22   67      8   14   15   17   25   31   37   39   42   46   53   60   65   68   70   72   73   75   79   85 
LCS_GDT     E    61_C     E    61_C     15   22   67     10   14   15   15   21   31   37   39   40   46   53   60   65   68   70   72   73   75   76   80 
LCS_GDT     I    62_C     I    62_C     15   22   67     10   14   15   15   21   31   37   39   40   46   53   60   65   68   70   72   73   75   76   80 
LCS_GDT     A    63_C     A    63_C     15   22   67     10   16   27   32   33   35   37   39   42   46   53   60   65   68   70   72   73   75   81   85 
LCS_GDT     E    64_C     E    64_C     15   22   67     10   14   15   15   21   31   37   39   40   46   53   60   65   68   70   72   73   75   76   80 
LCS_GDT     K    65_C     K    65_C     15   22   67     10   14   15   15   21   31   37   39   40   45   53   60   65   68   70   72   73   74   76   79 
LCS_GDT     L    66_C     L    66_C     15   22   67     10   14   15   15   21   35   37   39   42   46   53   60   65   68   70   72   73   75   79   85 
LCS_GDT     E    67_C     E    67_C     15   21   67     10   14   15   15   18   31   37   39   42   46   53   60   65   68   70   72   73   75   79   85 
LCS_GDT     K    68_C     K    68_C     15   21   67     10   14   15   15   19   31   37   39   40   45   53   60   65   68   70   72   73   74   76   79 
LCS_GDT     A    69_C     A    69_C     15   21   67     10   14   15   15   19   31   37   39   40   45   53   60   65   68   70   72   73   74   76   79 
LCS_GDT     L    70_C     L    70_C     15   20   67     10   14   24   32   33   35   37   39   42   45   53   60   65   68   70   72   73   75   79   85 
LCS_GDT     P    71_C     P    71_C     12   19   67      3    3    7    9   17   31   37   39   40   45   53   60   65   68   70   72   73   74   76   82 
LCS_GDT     E    72_C     E    72_C      5   16   67      4    4    5    5    5    9   16   31   35   42   47   50   52   57   58   67   70   72   73   74 
LCS_GDT     K    73_C     K    73_C      5    5   58      4    4    5    5    5    6   20   39   42   43   46   50   52   55   58   63   67   69   73   74 
LCS_GDT     S    74_C     S    74_C      5    5   58      4    4    5    5    5    5    7   16   36   42   43   50   56   61   68   70   72   72   73   75 
LCS_GDT     K    75_C     K    75_C      5   35   58      4    4    5    6   12   16   19   31   40   44   50   60   64   67   69   71   72   73   74   75 
LCS_GDT     M    76_C     M    76_C     32   35   58      4   21   31   32   33   35   37   39   42   44   50   60   65   67   69   71   73   74   78   84 
LCS_GDT     F    77_C     F    77_C     32   35   58      3    3    3    5   20   35   37   39   42   46   53   60   65   68   70   72   73   78   81   85 
LCS_GDT     T    78_C     T    78_C     32   35   57     20   30   31   32   33   35   37   39   42   46   52   59   65   68   70   72   75   78   81   85 
LCS_GDT     K    79_C     K    79_C     32   35   57     15   30   31   32   33   35   39   43   47   50   52   56   64   66   68   72   75   78   81   85 
LCS_GDT     E    80_C     E    80_C     32   35   57      8   30   31   32   33   35   39   42   46   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    81_C     E    81_C     32   35   57     18   30   31   32   33   35   37   39   43   49   52   56   64   66   69   72   75   78   81   85 
LCS_GDT     Y    82_C     Y    82_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   57   64   66   70   72   75   78   81   85 
LCS_GDT     E    83_C     E    83_C     32   35   57     21   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     K    84_C     K    84_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     L    85_C     L    85_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   57   64   66   70   72   75   78   81   85 
LCS_GDT     M    86_C     M    86_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    87_C     E    87_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     V    88_C     V    88_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     L    89_C     L    89_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    90_C     E    90_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    91_C     E    91_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     L    92_C     L    92_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    93_C     E    93_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    94_C     E    94_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     V    95_C     V    95_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     L    96_C     L    96_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    97_C     E    97_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E    98_C     E    98_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     K    99_C     K    99_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     K   100_C     K   100_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E   101_C     E   101_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   63   68   75   78   81   84 
LCS_GDT     E   102_C     E   102_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     V   103_C     V   103_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E   104_C     E   104_C     32   35   57     21   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E   105_C     E   105_C     32   35   57     21   30   31   32   33   35   39   43   47   50   52   53   55   58   63   68   74   78   81   84 
LCS_GDT     R   106_C     R   106_C     32   35   57     19   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     I   107_C     I   107_C     32   35   57     22   30   31   32   33   35   39   43   47   50   52   53   55   58   64   68   75   78   81   85 
LCS_GDT     E   108_C     E   108_C     32   35   57      3   12   30   31   33   35   39   43   47   50   52   53   55   58   63   68   74   78   81   84 
LCS_GDT     G   109_C     G   109_C     32   35   57      3    4   16   27   33   35   39   43   47   50   52   53   55   58   63   68   74   78   81   84 
LCS_AVERAGE  LCS_A:  34.65  (  20.67   25.27   58.01 )

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     22     30     31     32     33     35     39     43     47     50     53     60     65     68     70     72     75     78     81     85 
GDT PERCENT_AT  20.37  27.78  28.70  29.63  30.56  32.41  36.11  39.81  43.52  46.30  49.07  55.56  60.19  62.96  64.81  66.67  69.44  72.22  75.00  78.70
GDT RMS_LOCAL    0.27   0.47   0.76   0.91   1.00   1.22   2.32   2.64   2.90   3.07   4.18   4.51   4.68   4.83   4.97   5.10   6.01   6.16   6.35   6.83
GDT RMS_ALL_AT  12.01  12.08  12.84  13.21  13.11  13.41  10.28  10.39  10.46  10.44  12.17  12.28  12.16  11.84  11.69  11.54   9.41   9.42   9.33   9.06

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  E     5_C      E     5_C
#   possible swapping detected:  E     6_C      E     6_C
#   possible swapping detected:  E    27_C      E    27_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  E    72_C      E    72_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  E    83_C      E    83_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E    93_C      E    93_C
#   possible swapping detected:  E    94_C      E    94_C
#   possible swapping detected:  E   104_C      E   104_C
#   possible swapping detected:  E   108_C      E   108_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    18.807     0    0.589   0.769    20.122    0.000    0.000
LGA    P     3_C      P     3_C    18.958     0    0.638   0.636    20.768    0.000    0.000
LGA    D     4_C      D     4_C    20.820     0    0.095   1.092    25.448    0.000    0.000
LGA    E     5_C      E     5_C    18.528     0    0.128   1.377    23.813    0.000    0.000
LGA    E     6_C      E     6_C    11.665     0    0.360   1.143    14.406    0.357    2.963
LGA    K     7_C      K     7_C    13.824     0    0.583   0.438    24.840    0.000    0.000
LGA    L     8_C      L     8_C    13.111     0    0.064   1.284    13.677    0.000    0.000
LGA    K     9_C      K     9_C    11.384     0    0.031   1.203    11.973    0.000    4.021
LGA    L    10_C      L    10_C    13.292     0    0.027   1.314    15.973    0.000    0.000
LGA    L    11_C      L    11_C    14.148     0    0.040   1.166    17.916    0.000    0.000
LGA    D    12_C      D    12_C    12.236     0    0.042   0.921    14.298    0.000    0.000
LGA    T    13_C      T    13_C    11.965     0    0.049   0.901    13.572    0.000    0.000
LGA    L    14_C      L    14_C    13.855     0    0.038   0.167    15.358    0.000    0.000
LGA    L    15_C      L    15_C    13.442     0    0.047   1.047    15.077    0.000    0.000
LGA    T    16_C      T    16_C    11.850     0    0.026   1.130    12.409    0.000    0.068
LGA    M    17_C      M    17_C    12.744     0    0.083   0.958    14.380    0.000    0.000
LGA    V    18_C      V    18_C    13.858     0    0.061   0.922    15.480    0.000    0.000
LGA    E    19_C      E    19_C    11.957     0    0.034   0.638    12.635    0.000    0.053
LGA    W    20_C      W    20_C    11.369     0    0.060   1.614    12.963    0.000    0.000
LGA    V    21_C      V    21_C    12.916     0    0.024   1.085    14.624    0.000    0.000
LGA    K    22_C      K    22_C    12.221     0    0.036   0.968    13.656    0.000    0.000
LGA    E    23_C      E    23_C    10.390     0    0.046   0.096    11.113    0.000    0.688
LGA    L    24_C      L    24_C    11.361     0    0.061   0.272    12.074    0.000    0.000
LGA    L    25_C      L    25_C    12.025     0    0.051   0.151    13.810    0.000    0.000
LGA    E    26_C      E    26_C    10.029     0    0.043   0.814    11.101    0.476    0.317
LGA    E    27_C      E    27_C     9.991     0    0.049   0.876    13.440    0.238    0.106
LGA    S    28_C      S    28_C    10.498     0    0.504   0.879    13.080    1.310    0.873
LGA    V    29_C      V    29_C    10.742     0    0.594   0.816    13.678    1.548    0.884
LGA    E    30_C      E    30_C     8.968     0    0.068   1.032    14.268    2.500    1.111
LGA    K    31_C      K    31_C    10.247     0    0.711   0.867    20.562    3.810    1.693
LGA    N    32_C      N    32_C     7.717     0    0.330   0.286    11.173   12.619    6.786
LGA    S    33_C      S    33_C     2.691     0    0.586   0.507     4.962   53.690   48.254
LGA    R    34_C      R    34_C     4.316     0    0.078   0.488    12.169   35.833   17.316
LGA    M    35_C      M    35_C     5.657     0    0.040   0.854     7.621   27.619   18.869
LGA    R    36_C      R    36_C     3.312     0    0.031   1.276    12.532   57.738   29.437
LGA    H    37_C      H    37_C     2.008     0    0.040   1.247     6.393   62.976   43.667
LGA    I    38_C      I    38_C     5.144     0    0.036   1.285    10.293   33.095   21.786
LGA    R    39_C      R    39_C     4.459     0    0.034   1.162    12.766   43.571   21.688
LGA    A    40_C      A    40_C     1.014     0    0.028   0.045     2.033   77.262   78.095
LGA    V    41_C      V    41_C     3.904     0    0.034   0.906     6.200   43.690   35.646
LGA    M    42_C      M    42_C     4.906     0    0.039   1.273    11.134   37.262   22.738
LGA    W    43_C      W    43_C     2.150     0    0.046   0.490     9.210   71.190   39.048
LGA    A    44_C      A    44_C     2.706     0    0.029   0.037     3.893   55.833   53.333
LGA    E    45_C      E    45_C     5.103     0    0.027   1.283    10.478   34.524   18.889
LGA    Y    46_C      Y    46_C     3.216     0    0.027   1.244    13.034   59.762   27.857
LGA    M    47_C      M    47_C     1.806     0    0.042   1.101     7.225   65.357   50.000
LGA    L    48_C      L    48_C     5.024     0    0.037   0.959     8.088   31.786   21.548
LGA    E    49_C      E    49_C     4.411     0    0.055   0.643     5.956   41.905   36.296
LGA    I    50_C      I    50_C     1.289     0    0.040   1.330     4.596   65.357   61.905
LGA    A    51_C      A    51_C     5.432     0    0.053   0.055     7.046   24.167   22.762
LGA    R    52_C      R    52_C     7.040     0    0.086   1.125     7.845   13.929   11.515
LGA    S    53_C      S    53_C     3.968     0    0.163   0.554     4.682   34.405   43.254
LGA    L    54_C      L    54_C     7.164     0    0.062   1.386    10.292    8.929    5.774
LGA    E    55_C      E    55_C    10.729     0    0.102   0.728    13.894    0.714    0.952
LGA    D    56_C      D    56_C    13.755     0    0.163   0.649    16.925    0.000    0.000
LGA    E    57_C      E    57_C    16.704     0    0.100   0.884    21.038    0.000    0.000
LGA    K    58_C      K    58_C    18.560     0    0.067   1.318    21.688    0.000    0.000
LGA    I    59_C      I    59_C    14.471     0    0.059   1.457    15.808    0.000    0.000
LGA    L    60_C      L    60_C    13.669     0    0.043   1.376    15.078    0.000    0.000
LGA    E    61_C      E    61_C    18.099     0    0.048   0.395    24.952    0.000    0.000
LGA    I    62_C      I    62_C    16.744     0    0.040   1.151    19.241    0.000    0.000
LGA    A    63_C      A    63_C    12.114     0    0.030   0.040    13.520    0.000    0.000
LGA    E    64_C      E    64_C    16.113     0    0.040   1.334    23.616    0.000    0.000
LGA    K    65_C      K    65_C    18.371     0    0.044   0.094    24.699    0.000    0.000
LGA    L    66_C      L    66_C    13.665     0    0.041   1.145    15.113    0.000    0.179
LGA    E    67_C      E    67_C    13.437     0    0.060   1.357    19.267    0.000    0.000
LGA    K    68_C      K    68_C    18.846     0    0.035   1.265    22.723    0.000    0.000
LGA    A    69_C      A    69_C    17.357     0    0.191   0.195    17.529    0.000    0.000
LGA    L    70_C      L    70_C    13.164     0    0.590   0.524    15.687    0.000    0.357
LGA    P    71_C      P    71_C    15.419     0    0.566   0.498    17.796    0.000    0.000
LGA    E    72_C      E    72_C    20.865     0    0.592   1.117    27.350    0.000    0.000
LGA    K    73_C      K    73_C    17.322     0    0.067   0.288    18.700    0.000    0.000
LGA    S    74_C      S    74_C    15.863     0    0.095   0.702    17.581    0.000    0.000
LGA    K    75_C      K    75_C    17.572     0    0.615   1.049    21.199    0.000    0.000
LGA    M    76_C      M    76_C    13.929     0    0.592   1.012    15.010    0.000    0.000
LGA    F    77_C      F    77_C    10.526     0    0.389   1.297    13.820    2.976    1.082
LGA    T    78_C      T    78_C     5.985     0    0.194   1.117     7.874   21.548   17.687
LGA    K    79_C      K    79_C     2.505     0    0.077   0.916     3.757   59.524   64.233
LGA    E    80_C      E    80_C     3.843     0    0.085   0.992     5.495   43.452   33.862
LGA    E    81_C      E    81_C     5.339     0    0.043   0.209    10.687   32.976   17.249
LGA    Y    82_C      Y    82_C     3.413     0    0.042   0.190     6.069   55.714   40.397
LGA    E    83_C      E    83_C     0.837     0    0.038   1.276     4.674   79.405   61.958
LGA    K    84_C      K    84_C     3.638     0    0.049   1.064     9.571   50.119   29.524
LGA    L    85_C      L    85_C     3.481     0    0.057   1.091     7.970   53.571   35.714
LGA    M    86_C      M    86_C     1.207     0    0.039   1.335     7.735   88.571   64.107
LGA    E    87_C      E    87_C     2.005     0    0.053   1.027     3.200   68.929   61.693
LGA    V    88_C      V    88_C     3.498     0    0.041   1.085     6.847   55.357   42.517
LGA    L    89_C      L    89_C     2.096     0    0.049   1.449     7.735   77.619   52.202
LGA    E    90_C      E    90_C     1.553     0    0.055   1.061     8.334   77.262   46.032
LGA    E    91_C      E    91_C     3.130     0    0.033   0.747     7.173   55.476   38.677
LGA    L    92_C      L    92_C     2.596     0    0.035   1.426     6.360   66.905   57.202
LGA    E    93_C      E    93_C     0.750     0    0.030   0.803     4.479   90.476   72.328
LGA    E    94_C      E    94_C     2.398     0    0.052   0.707     7.119   64.881   40.476
LGA    V    95_C      V    95_C     3.196     0    0.031   1.229     6.722   57.262   45.238
LGA    L    96_C      L    96_C     1.829     0    0.037   0.952     6.708   81.667   61.429
LGA    E    97_C      E    97_C     1.616     0    0.052   0.220     5.758   77.262   54.286
LGA    E    98_C      E    98_C     3.002     0    0.035   0.147     6.510   57.262   39.312
LGA    K    99_C      K    99_C     2.590     0    0.024   1.038     9.138   66.905   38.942
LGA    K   100_C      K   100_C     0.769     0    0.035   1.107     4.190   90.476   73.280
LGA    E   101_C      E   101_C     2.132     0    0.032   0.818     3.723   68.929   57.672
LGA    E   102_C      E   102_C     2.950     0    0.055   0.390     6.159   62.857   45.291
LGA    V   103_C      V   103_C     1.760     0    0.045   0.145     3.275   81.667   71.224
LGA    E   104_C      E   104_C     1.093     0    0.039   0.666     5.359   83.929   58.836
LGA    E   105_C      E   105_C     2.120     0    0.044   0.165     5.032   70.833   53.810
LGA    R   106_C      R   106_C     1.396     0    0.036   1.209     3.678   85.952   74.329
LGA    I   107_C      I   107_C     1.352     0    0.101   1.005     4.643   79.405   62.798
LGA    E   108_C      E   108_C     2.113     0    0.467   0.856     5.962   77.619   53.122
LGA    G   109_C      G   109_C     2.484     0    0.091   0.091     2.775   60.952   60.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     8.784          8.649                  9.603           29.178   22.020

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     43    2.64    40.972    36.872     1.569

LGA_LOCAL      RMSD:   2.640  Number of atoms:   43  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.387  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   8.784  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.145732 * X  +   0.436486 * Y  +   0.887830 * Z  + -17.962526
  Y_new =  -0.970163 * X  +   0.112716 * Y  +  -0.214661 * Z  +   1.381979
  Z_new =  -0.193769 * X  +  -0.892623 * Y  +   0.407036 * Z  + -30.628279 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.719895  0.195002 -1.142964   [DEG:  -98.5427   11.1728  -65.4870 ]
ZXZ:  1.333568  1.151589 -2.927831   [DEG:   76.4078   65.9812 -167.7523 ]
 
# END of job
