
#######################################################
#                                                     #
#                        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:    70       2_C - 71_C        4.89    11.97
  LONGEST_CONTINUOUS_SEGMENT:    70       3_C - 72_C        4.96    12.07
  LCS_AVERAGE:     60.73

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_C - 109_C       1.71    13.36
  LCS_AVERAGE:     28.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      76_C - 109_C       0.99    12.70
  LCS_AVERAGE:     22.53

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     24   28   70      3    9   16   23   26   28   28   29   33   37   39   41   51   55   60   70   71   75   78   83 
LCS_GDT     P     3_C     P     3_C     25   28   70      4   15   22   25   27   28   28   30   34   37   39   42   51   70   72   73   75   75   78   84 
LCS_GDT     D     4_C     D     4_C     25   28   70      3   13   22   25   27   28   28   30   34   37   39   60   67   70   72   74   75   81   82   85 
LCS_GDT     E     5_C     E     5_C     25   28   70     12   20   24   25   27   28   29   30   41   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E     6_C     E     6_C     25   28   70     12   20   24   25   27   28   29   30   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     K     7_C     K     7_C     25   28   70     12   20   24   25   27   28   29   30   34   37   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L     8_C     L     8_C     25   28   70      5   20   24   25   27   28   29   30   34   48   55   63   67   70   72   74   78   81   82   85 
LCS_GDT     K     9_C     K     9_C     25   28   70     15   20   24   25   27   28   29   33   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    10_C     L    10_C     25   28   70     14   20   24   25   27   28   29   30   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    11_C     L    11_C     25   28   70     15   20   24   25   27   28   29   30   36   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     D    12_C     D    12_C     25   28   70     15   20   24   25   27   28   29   32   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     T    13_C     T    13_C     25   28   70     15   20   24   25   27   28   29   35   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    14_C     L    14_C     25   28   70     15   20   24   25   27   28   29   30   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    15_C     L    15_C     25   28   70     15   20   24   25   27   28   29   33   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     T    16_C     T    16_C     25   28   70     15   20   24   25   27   28   29   35   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     M    17_C     M    17_C     25   28   70     15   20   24   25   27   28   29   35   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     V    18_C     V    18_C     25   28   70     15   20   24   25   27   28   29   33   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    19_C     E    19_C     25   28   70     15   20   24   25   27   28   29   35   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     W    20_C     W    20_C     25   28   70     15   20   24   25   27   28   29   35   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     V    21_C     V    21_C     25   28   70     15   20   24   25   27   28   29   30   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     K    22_C     K    22_C     25   28   70     15   20   24   25   27   28   29   35   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    23_C     E    23_C     25   28   70     15   20   24   25   27   28   29   35   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    24_C     L    24_C     25   28   70     15   20   24   25   27   28   29   30   34   48   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    25_C     L    25_C     25   28   70      8   18   24   25   27   28   29   30   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    26_C     E    26_C     25   28   70      8   19   24   25   27   28   29   35   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    27_C     E    27_C     25   28   70      8   18   24   25   27   28   29   30   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     S    28_C     S    28_C     25   28   70      8   18   24   25   27   28   29   30   34   38   56   64   67   70   72   74   78   81   82   85 
LCS_GDT     V    29_C     V    29_C     25   28   70      8   12   22   25   27   28   29   30   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    30_C     E    30_C      3   26   70      3    3    3   10   16   22   27   33   42   50   57   64   67   70   72   74   78   81   82   84 
LCS_GDT     K    31_C     K    31_C      3   24   70      3    3   13   16   20   25   31   38   42   49   57   64   67   70   72   74   77   81   82   83 
LCS_GDT     N    32_C     N    32_C      3   29   70      3    3    3    4   25   34   38   40   41   42   46   53   64   68   72   74   78   81   82   84 
LCS_GDT     S    33_C     S    33_C     22   31   70      7   21   22   22   22   37   39   40   43   49   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     R    34_C     R    34_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     M    35_C     M    35_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     R    36_C     R    36_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     H    37_C     H    37_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     I    38_C     I    38_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     R    39_C     R    39_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     A    40_C     A    40_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     V    41_C     V    41_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     M    42_C     M    42_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     W    43_C     W    43_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     A    44_C     A    44_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    45_C     E    45_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     Y    46_C     Y    46_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     M    47_C     M    47_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    48_C     L    48_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    49_C     E    49_C     22   31   70     16   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     I    50_C     I    50_C     22   31   70     14   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     A    51_C     A    51_C     22   31   70     15   21   22   22   34   37   39   40   42   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     R    52_C     R    52_C     22   31   70     15   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     S    53_C     S    53_C     22   31   70     14   21   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     L    54_C     L    54_C     22   31   70      3   11   22   22   34   37   39   40   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     E    55_C     E    55_C      4   31   70      3    4    8   14   29   37   39   40   43   51   57   64   67   70   72   74   75   75   79   82 
LCS_GDT     D    56_C     D    56_C     16   31   70     15   15   15   21   27   37   39   40   43   51   57   64   67   70   72   74   75   78   81   85 
LCS_GDT     E    57_C     E    57_C     16   31   70     15   15   15   18   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   78 
LCS_GDT     K    58_C     K    58_C     16   31   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   78 
LCS_GDT     I    59_C     I    59_C     16   31   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   85 
LCS_GDT     L    60_C     L    60_C     16   31   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   81 
LCS_GDT     E    61_C     E    61_C     16   31   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   78 
LCS_GDT     I    62_C     I    62_C     16   31   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   78 
LCS_GDT     A    63_C     A    63_C     16   31   70     15   15   15   22   34   37   39   40   43   51   57   64   67   70   72   74   75   75   80   85 
LCS_GDT     E    64_C     E    64_C     16   31   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   78 
LCS_GDT     K    65_C     K    65_C     16   29   70     15   15   15   19   34   37   39   40   42   49   57   64   67   70   72   74   75   75   76   78 
LCS_GDT     L    66_C     L    66_C     16   29   70     15   15   15   19   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   85 
LCS_GDT     E    67_C     E    67_C     16   24   70     15   15   15   16   34   37   39   40   43   51   57   64   67   70   72   74   75   75   78   78 
LCS_GDT     K    68_C     K    68_C     16   22   70     15   15   15   16   33   37   39   40   42   49   56   63   67   70   72   74   75   75   76   78 
LCS_GDT     A    69_C     A    69_C     16   22   70     15   15   15   18   34   37   39   40   42   49   55   63   67   70   72   74   75   75   76   78 
LCS_GDT     L    70_C     L    70_C     16   22   70     15   15   15   21   34   37   39   40   42   49   57   64   67   70   72   74   75   75   80   85 
LCS_GDT     P    71_C     P    71_C     16   21   70      3    3    8   16   31   37   39   40   42   49   56   63   67   70   72   74   75   75   76   78 
LCS_GDT     E    72_C     E    72_C      5   17   70      4    4    5    5    6    9   14   23   34   37   45   47   50   53   57   66   67   72   75   76 
LCS_GDT     K    73_C     K    73_C      5    5   65      4    4    5    5    6    7   10   16   26   39   42   44   48   53   57   58   61   70   70   76 
LCS_GDT     S    74_C     S    74_C      5    5   62      4    4    5    5    6    7   12   35   42   42   45   46   51   58   65   73   74   74   75   78 
LCS_GDT     K    75_C     K    75_C      5   35   62      4    4    5    8   16   19   29   38   42   42   45   49   58   68   72   73   74   74   76   78 
LCS_GDT     M    76_C     M    76_C     34   35   62      3   12   22   29   34   34   36   39   42   42   45   60   64   70   72   73   74   75   80   85 
LCS_GDT     F    77_C     F    77_C     34   35   62      3    3    4    6   34   34   36   40   43   51   57   64   67   70   72   74   75   81   82   85 
LCS_GDT     T    78_C     T    78_C     34   35   62     11   19   30   32   34   34   36   39   43   51   57   64   67   70   72   74   78   81   82   85 
LCS_GDT     K    79_C     K    79_C     34   35   58     11   24   31   32   34   34   36   40   43   49   55   61   67   68   70   74   78   81   82   85 
LCS_GDT     E    80_C     E    80_C     34   35   56     11   29   31   32   34   34   36   40   43   47   49   54   59   63   69   74   78   81   82   85 
LCS_GDT     E    81_C     E    81_C     34   35   56     11   29   31   32   34   34   36   39   42   47   55   61   67   68   72   74   78   81   82   85 
LCS_GDT     Y    82_C     Y    82_C     34   35   56     11   29   31   32   34   34   36   40   43   50   57   62   67   68   72   74   78   81   82   85 
LCS_GDT     E    83_C     E    83_C     34   35   56     20   29   31   32   34   34   36   40   43   47   49   54   59   63   69   74   78   81   82   85 
LCS_GDT     K    84_C     K    84_C     34   35   56     19   29   31   32   34   34   36   40   43   47   49   54   59   63   69   74   78   81   82   85 
LCS_GDT     L    85_C     L    85_C     34   35   56     19   29   31   32   34   34   36   40   43   47   55   61   67   68   70   74   78   81   82   85 
LCS_GDT     M    86_C     M    86_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   52   58   63   69   74   78   81   82   85 
LCS_GDT     E    87_C     E    87_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   58   63   69   74   78   81   82   85 
LCS_GDT     V    88_C     V    88_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   54   59   63   69   74   78   81   82   85 
LCS_GDT     L    89_C     L    89_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   54   59   63   69   74   78   81   82   85 
LCS_GDT     E    90_C     E    90_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   63   69   74   78   81   82   85 
LCS_GDT     E    91_C     E    91_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   55   63   69   74   78   81   82   85 
LCS_GDT     L    92_C     L    92_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   54   58   63   69   74   78   81   82   85 
LCS_GDT     E    93_C     E    93_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   55   63   69   74   78   81   82   85 
LCS_GDT     E    94_C     E    94_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   61   69   74   78   81   82   85 
LCS_GDT     V    95_C     V    95_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   58   63   69   74   78   81   82   85 
LCS_GDT     L    96_C     L    96_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   58   63   69   74   78   81   82   85 
LCS_GDT     E    97_C     E    97_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   58   69   73   78   81   82   85 
LCS_GDT     E    98_C     E    98_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   61   69   74   78   81   82   85 
LCS_GDT     K    99_C     K    99_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   58   63   69   74   78   81   82   85 
LCS_GDT     K   100_C     K   100_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   62   69   74   78   81   82   85 
LCS_GDT     E   101_C     E   101_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   56   67   73   78   81   82   85 
LCS_GDT     E   102_C     E   102_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   62   69   74   78   81   82   85 
LCS_GDT     V   103_C     V   103_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   55   63   69   74   78   81   82   85 
LCS_GDT     E   104_C     E   104_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   56   67   73   78   81   82   85 
LCS_GDT     E   105_C     E   105_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   56   67   73   78   81   82   85 
LCS_GDT     R   106_C     R   106_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   62   69   74   78   81   82   85 
LCS_GDT     I   107_C     I   107_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   61   69   73   78   81   82   85 
LCS_GDT     E   108_C     E   108_C     34   35   56     22   29   31   32   34   34   36   40   43   47   49   51   52   56   63   71   75   79   82   84 
LCS_GDT     G   109_C     G   109_C     34   35   56      3   29   31   32   34   34   36   40   43   47   49   51   52   56   67   73   78   81   82   85 
LCS_AVERAGE  LCS_A:  37.11  (  22.53   28.09   60.73 )

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     29     31     32     34     37     39     40     43     51     57     64     67     70     72     74     78     81     82     85 
GDT PERCENT_AT  20.37  26.85  28.70  29.63  31.48  34.26  36.11  37.04  39.81  47.22  52.78  59.26  62.04  64.81  66.67  68.52  72.22  75.00  75.93  78.70
GDT RMS_LOCAL    0.28   0.53   0.67   0.77   0.99   2.14   2.22   2.28   2.96   4.00   4.17   4.40   4.53   4.71   4.83   4.95   6.06   6.16   6.21   6.72
GDT RMS_ALL_AT  12.24  12.44  12.38  12.47  12.70  12.87  12.90  12.94  10.56  11.47  11.61  11.70  11.96  11.94  12.06  11.61   9.45   9.56   9.60   9.19

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  D    12_C      D    12_C
#   possible swapping detected:  E    19_C      E    19_C
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  E    61_C      E    61_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    81_C      E    81_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    93_C      E    93_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    14.525     0    0.114   0.460    15.671    0.000    0.000
LGA    P     3_C      P     3_C    11.478     0    0.108   0.566    13.392    0.000    0.000
LGA    D     4_C      D     4_C     8.314     0    0.103   1.046     9.213    2.976    3.274
LGA    E     5_C      E     5_C    10.686     0    0.125   1.312    13.670    0.119    0.053
LGA    E     6_C      E     6_C    11.016     0    0.044   1.035    13.551    0.000    0.000
LGA    K     7_C      K     7_C     8.896     0    0.037   0.756    12.147    2.500    1.799
LGA    L     8_C      L     8_C     9.773     0    0.013   0.066    13.209    0.476    0.238
LGA    K     9_C      K     9_C    11.768     0    0.048   0.674    17.505    0.000    0.000
LGA    L    10_C      L    10_C     9.802     0    0.048   0.448    11.921    0.833    0.476
LGA    L    11_C      L    11_C     9.102     0    0.047   0.893    11.131    1.310    0.833
LGA    D    12_C      D    12_C    11.813     0    0.015   1.014    15.757    0.000    0.000
LGA    T    13_C      T    13_C    11.589     0    0.044   0.050    12.993    0.000    0.000
LGA    L    14_C      L    14_C     8.905     0    0.029   0.108     9.564    1.548    2.679
LGA    L    15_C      L    15_C    10.833     0    0.045   1.371    15.470    0.119    0.060
LGA    T    16_C      T    16_C    12.642     0    0.056   0.938    15.239    0.000    0.000
LGA    M    17_C      M    17_C    10.266     0    0.061   0.514    11.189    0.238    0.179
LGA    V    18_C      V    18_C     9.428     0    0.024   0.055    10.658    0.714    0.680
LGA    E    19_C      E    19_C    12.425     0    0.056   1.080    18.782    0.000    0.000
LGA    W    20_C      W    20_C    12.455     0    0.023   1.576    16.498    0.000    0.000
LGA    V    21_C      V    21_C     9.412     0    0.043   1.223    10.148    1.071    2.653
LGA    K    22_C      K    22_C    10.682     0    0.132   0.665    14.979    0.000    0.000
LGA    E    23_C      E    23_C    12.889     0    0.096   0.963    18.047    0.000    0.000
LGA    L    24_C      L    24_C    10.583     0    0.041   0.201    13.161    0.714    0.357
LGA    L    25_C      L    25_C     7.736     0    0.017   0.084     8.522    4.881    8.333
LGA    E    26_C      E    26_C    10.923     0    0.044   1.118    17.006    0.119    0.053
LGA    E    27_C      E    27_C    11.661     0    0.035   1.026    16.682    0.000    0.000
LGA    S    28_C      S    28_C     8.137     0    0.059   0.187     9.083    5.833    7.302
LGA    V    29_C      V    29_C     8.230     0    0.444   0.477    11.231    4.881    2.789
LGA    E    30_C      E    30_C     9.900     0    0.077   1.560    17.319    1.905    0.847
LGA    K    31_C      K    31_C     7.334     0    0.158   0.606    12.555   14.524    7.672
LGA    N    32_C      N    32_C     3.842     0    0.399   0.967     7.184   39.167   30.298
LGA    S    33_C      S    33_C     3.436     0    0.576   0.849     6.534   57.262   44.762
LGA    R    34_C      R    34_C     1.645     0    0.066   1.233     4.414   75.119   69.784
LGA    M    35_C      M    35_C     1.968     0    0.032   1.715     9.441   68.810   46.905
LGA    R    36_C      R    36_C     2.575     0    0.038   1.067     9.296   62.857   39.134
LGA    H    37_C      H    37_C     2.034     0    0.076   1.388     8.233   68.810   44.571
LGA    I    38_C      I    38_C     1.328     0    0.060   0.077     2.161   81.429   75.119
LGA    R    39_C      R    39_C     1.886     0    0.034   1.013     9.458   72.857   41.732
LGA    A    40_C      A    40_C     2.229     0    0.045   0.044     2.670   70.833   68.095
LGA    V    41_C      V    41_C     1.540     0    0.027   0.036     2.119   77.143   72.993
LGA    M    42_C      M    42_C     1.421     0    0.035   0.553     3.605   81.429   70.595
LGA    W    43_C      W    43_C     2.040     0    0.041   0.319     3.924   70.833   56.599
LGA    A    44_C      A    44_C     1.971     0    0.067   0.066     2.367   72.857   71.238
LGA    E    45_C      E    45_C     1.648     0    0.046   0.067     2.838   77.143   70.317
LGA    Y    46_C      Y    46_C     1.375     0    0.053   0.410     5.904   81.429   54.921
LGA    M    47_C      M    47_C     1.590     0    0.046   0.654     3.411   75.000   66.190
LGA    L    48_C      L    48_C     2.116     0    0.045   0.109     3.710   68.810   58.631
LGA    E    49_C      E    49_C     2.209     0    0.037   0.892     3.236   68.810   64.127
LGA    I    50_C      I    50_C     1.544     0    0.051   1.209     5.151   79.286   65.774
LGA    A    51_C      A    51_C     1.569     0    0.142   0.145     1.750   75.000   74.571
LGA    R    52_C      R    52_C     2.427     0    0.131   1.339     9.937   66.786   33.333
LGA    S    53_C      S    53_C     1.988     0    0.184   0.738     2.144   72.857   71.508
LGA    L    54_C      L    54_C     1.684     0    0.662   0.646     4.609   68.929   58.036
LGA    E    55_C      E    55_C     3.207     0    0.481   1.022     4.485   50.476   48.836
LGA    D    56_C      D    56_C     3.266     0    0.692   1.066     8.515   61.905   36.429
LGA    E    57_C      E    57_C     2.584     0    0.061   0.747     3.434   60.952   59.788
LGA    K    58_C      K    58_C     2.191     0    0.038   0.843     5.558   64.762   53.651
LGA    I    59_C      I    59_C     2.402     0    0.045   0.704     3.818   64.762   59.226
LGA    L    60_C      L    60_C     2.239     0    0.046   0.103     2.444   64.762   64.762
LGA    E    61_C      E    61_C     2.065     0    0.046   0.078     2.575   66.786   63.968
LGA    I    62_C      I    62_C     2.094     0    0.042   0.271     3.568   66.786   61.190
LGA    A    63_C      A    63_C     2.289     0    0.032   0.037     2.558   64.762   63.238
LGA    E    64_C      E    64_C     2.130     0    0.046   0.684     2.502   64.762   69.471
LGA    K    65_C      K    65_C     1.866     0    0.055   0.075     2.049   70.833   71.958
LGA    L    66_C      L    66_C     1.936     0    0.045   0.190     2.621   68.810   66.845
LGA    E    67_C      E    67_C     2.618     0    0.100   0.674     4.170   59.048   51.217
LGA    K    68_C      K    68_C     3.039     0    0.074   1.334     4.332   53.571   56.032
LGA    A    69_C      A    69_C     2.430     0    0.199   0.206     2.578   62.857   63.238
LGA    L    70_C      L    70_C     2.316     0    0.622   0.616     3.701   59.405   60.179
LGA    P    71_C      P    71_C     3.374     0    0.536   0.717     6.579   36.667   30.408
LGA    E    72_C      E    72_C     9.185     0    0.627   0.889    15.248    4.167    1.852
LGA    K    73_C      K    73_C    10.474     0    0.067   1.352    13.444    0.714    0.317
LGA    S    74_C      S    74_C     7.872     0    0.156   0.651    10.126    7.500    5.794
LGA    K    75_C      K    75_C     7.331     0    0.622   0.803     8.888    6.786   10.476
LGA    M    76_C      M    76_C     7.489     0    0.588   1.000    11.522   15.714    8.750
LGA    F    77_C      F    77_C     5.140     0    0.568   1.264     8.839   21.190   14.848
LGA    T    78_C      T    78_C     8.665     0    0.107   1.199    11.114    4.048    2.585
LGA    K    79_C      K    79_C    15.669     0    0.102   0.604    26.098    0.000    0.000
LGA    E    80_C      E    80_C    18.474     0    0.068   0.855    23.284    0.000    0.000
LGA    E    81_C      E    81_C    12.248     0    0.073   1.137    13.998    0.000    2.169
LGA    Y    82_C      Y    82_C    13.657     0    0.035   1.367    22.170    0.000    0.000
LGA    E    83_C      E    83_C    20.345     0    0.023   1.032    25.721    0.000    0.000
LGA    K    84_C      K    84_C    18.269     0    0.034   1.115    24.785    0.000    0.000
LGA    L    85_C      L    85_C    13.114     0    0.070   1.168    15.081    0.000    2.083
LGA    M    86_C      M    86_C    19.385     0    0.048   0.815    21.963    0.000    0.000
LGA    E    87_C      E    87_C    22.568     0    0.057   0.792    26.918    0.000    0.000
LGA    V    88_C      V    88_C    17.062     0    0.059   0.161    18.629    0.000    0.000
LGA    L    89_C      L    89_C    16.383     0    0.019   0.243    18.742    0.000    0.000
LGA    E    90_C      E    90_C    23.232     0    0.053   1.302    29.875    0.000    0.000
LGA    E    91_C      E    91_C    22.121     0    0.031   0.825    24.578    0.000    0.000
LGA    L    92_C      L    92_C    15.917     0    0.076   1.433    17.863    0.000    0.000
LGA    E    93_C      E    93_C    20.928     0    0.049   0.957    26.353    0.000    0.000
LGA    E    94_C      E    94_C    25.015     0    0.037   1.028    30.658    0.000    0.000
LGA    V    95_C      V    95_C    19.690     0    0.055   0.076    21.231    0.000    0.000
LGA    L    96_C      L    96_C    17.676     0    0.032   0.118    20.015    0.000    0.000
LGA    E    97_C      E    97_C    24.665     0    0.051   1.018    30.906    0.000    0.000
LGA    E    98_C      E    98_C    24.351     0    0.036   0.877    26.823    0.000    0.000
LGA    K    99_C      K    99_C    18.152     0    0.052   1.102    20.055    0.000    0.000
LGA    K   100_C      K   100_C    21.653     0    0.052   0.877    27.920    0.000    0.000
LGA    E   101_C      E   101_C    26.659     0    0.046   1.027    32.537    0.000    0.000
LGA    E   102_C      E   102_C    22.536     0    0.030   1.014    23.651    0.000    0.000
LGA    V   103_C      V   103_C    19.210     0    0.013   0.124    21.564    0.000    0.000
LGA    E   104_C      E   104_C    26.091     0    0.032   0.946    31.688    0.000    0.000
LGA    E   105_C      E   105_C    27.543     0    0.023   1.036    30.766    0.000    0.000
LGA    R   106_C      R   106_C    21.450     0    0.011   0.985    23.249    0.000    0.000
LGA    I   107_C      I   107_C    23.501     0    0.063   0.160    26.268    0.000    0.000
LGA    E   108_C      E   108_C    29.950     0    0.440   1.074    35.035    0.000    0.000
LGA    G   109_C      G   109_C    27.874     0    0.527   0.527    28.170    0.000    0.000

# 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):     8.859          8.767                  9.580           25.743   22.396

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     40    2.28    40.509    37.914     1.679

LGA_LOCAL      RMSD:   2.282  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.938  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   8.859  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.815218 * X  +  -0.508036 * Y  +   0.278064 * Z  +   1.105632
  Y_new =   0.429065 * X  +   0.852273 * Y  +   0.299224 * Z  +  -0.183096
  Z_new =  -0.389003 * X  +  -0.124625 * Y  +   0.912768 * Z  + -42.125278 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.484481  0.399549 -0.135696   [DEG:   27.7587   22.8925   -7.7748 ]
ZXZ:  2.392832  0.420787 -1.880835   [DEG:  137.0992   24.1093 -107.7639 ]
 
# END of job
