
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88      24_B - 111_B       4.56    18.27
  LCS_AVERAGE:     73.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      28_B - 89_B        1.84    18.59
  LCS_AVERAGE:     40.71

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      31_B - 80_B        0.98    18.78
  LCS_AVERAGE:     27.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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_B     E     7_B     10   11   16      4    8   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     P     8_B     P     8_B     10   11   16      4    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     K     9_B     K     9_B     10   11   16      4    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     V    10_B     V    10_B     10   11   16      4    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     Y    11_B     Y    11_B     10   11   16      4    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     A    12_B     A    12_B     10   11   16      4    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     P    13_B     P    13_B     10   11   16      4    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     V    14_B     V    14_B     10   11   16      3    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   16   16 
LCS_GDT     T    15_B     T    15_B     10   11   16      3    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   17   17 
LCS_GDT     T    16_B     T    16_B     10   11   16      3    9   10   10   10   11   11   11   13   13   14   15   15   15   15   16   16   16   17   19 
LCS_GDT     G    17_B     G    17_B      6   11   16      4    4    6    9   10   11   11   11   13   13   14   15   15   15   15   16   17   18   20   20 
LCS_GDT     A    18_B     A    18_B      5   11   16      4    4    7    7    9   10   11   12   12   13   14   15   15   15   16   16   17   18   20   21 
LCS_GDT     D    19_B     D    19_B      5   11   16      4    4    5    7    9   10   11   12   12   13   14   15   15   15   16   16   17   18   20   20 
LCS_GDT     G    20_B     G    20_B      5   11   16      4    4    5    7    9   10   11   12   13   13   14   15   15   15   16   16   17   18   20   21 
LCS_GDT     K    21_B     K    21_B      6   11   16      4    4    7    7    9   10   11   12   13   13   14   15   15   15   16   16   17   18   20   21 
LCS_GDT     L    22_B     L    22_B      6   11   16      4    6    7    7    9   10   11   12   12   13   13   14   14   15   16   16   17   18   20   21 
LCS_GDT     S    23_B     S    23_B      6   11   86      4    6    6    7    8   10   11   12   12   13   13   14   14   15   16   17   19   20   23   24 
LCS_GDT     L    24_B     L    24_B      6   11   88      3    6    7    7    9   10   11   12   12   13   13   14   14   15   16   17   19   21   31   33 
LCS_GDT     S    25_B     S    25_B      6   11   88      3    6    7    7    9   10   11   12   12   16   20   28   31   39   53   64   76   82   83   83 
LCS_GDT     V    26_B     V    26_B      6   11   88      3    6    7    7    9   10   11   12   12   16   20   28   48   61   68   80   82   82   83   83 
LCS_GDT     G    27_B     G    27_B      6   56   88      3    6    7    7   13   23   35   42   55   72   79   80   80   81   81   81   82   83   83   84 
LCS_GDT     G    28_B     G    28_B      3   62   88      2    9   21   47   66   73   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Y    29_B     Y    29_B      7   62   88      4   12   37   66   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    30_B     K    30_B     23   62   88      3   12   37   66   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    31_B     K    31_B     50   62   88      6   39   61   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T    32_B     T    32_B     50   62   88     20   54   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     F    33_B     F    33_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T    34_B     T    34_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    35_B     K    35_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    36_B     V    36_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     D    37_B     D    37_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    38_B     A    38_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    39_B     A    39_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T    40_B     T    40_B     50   62   88     16   50   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    41_B     K    41_B     50   62   88     16   49   61   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    42_B     A    42_B     50   62   88     26   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     P    43_B     P    43_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     L    44_B     L    44_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    45_B     A    45_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     G    46_B     G    46_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    47_B     A    47_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    48_B     V    48_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     F    49_B     F    49_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Q    50_B     Q    50_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    51_B     V    51_B     50   62   88      6   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    52_B     V    52_B     50   62   88     13   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     E    53_B     E    53_B     50   62   88      7   23   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    54_B     K    54_B     50   62   88      3   23   57   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     D    55_B     D    55_B     50   62   88     17   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     G    56_B     G    56_B     50   62   88      3    3   55   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     D    57_B     D    57_B     50   62   88      4   24   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     I    58_B     I    58_B     50   62   88     17   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T    59_B     T    59_B     50   62   88     17   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     L    60_B     L    60_B     50   62   88     17   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Y    61_B     Y    61_B     50   62   88     30   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     E    62_B     E    62_B     50   62   88     30   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     L    63_B     L    63_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     S    64_B     S    64_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     S    65_B     S    65_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     P    66_B     P    66_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    67_B     A    67_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     G    68_B     G    68_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Y    69_B     Y    69_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    70_B     V    70_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     P    71_B     P    71_B     50   62   88     23   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    72_B     V    72_B     50   62   88     15   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T    73_B     T    73_B     50   62   88     14   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     N    74_B     N    74_B     50   62   88      5   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    75_B     K    75_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     P    76_B     P    76_B     50   62   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     I    77_B     I    77_B     50   62   88      7   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Y    78_B     Y    78_B     50   62   88     17   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     N    79_B     N    79_B     50   62   88     14   54   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     I    80_B     I    80_B     50   62   88      5   19   54   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     S    81_B     S    81_B      7   62   88      3    8   18   40   59   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T    82_B     T    82_B      3   62   88      3    9   23   36   50   73   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     G    83_B     G    83_B      4   62   88      3    3    9   25   39   64   72   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     E    84_B     E    84_B      4   62   88      3   36   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    85_B     A    85_B      4   62   88      3   11   53   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     F    86_B     F    86_B      4   62   88      3    3   21   39   68   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     D    87_B     D    87_B      4   62   88      3   12   41   67   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     S    88_B     S    88_B      3   62   88      1    6   41   64   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    89_B     A    89_B      4   62   88      3    4    4    4    8   15   58   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A    90_B     A    90_B      4    5   88      3    3    4    4    4    5    8   16   18   44   52   66   76   81   81   81   82   83   83   84 
LCS_GDT     A    91_B     A    91_B      4   18   88      3    4    8    9   17   34   45   59   70   77   79   80   80   81   82   82   82   83   83   84 
LCS_GDT     S    92_B     S    92_B     16   18   88     20   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    93_B     V    93_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     V    94_B     V    94_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     K    95_B     K    95_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     E    96_B     E    96_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     D    97_B     D    97_B     16   18   88     23   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     G    98_B     G    98_B     16   18   88     20   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Q    99_B     Q    99_B     16   18   88     20   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Y   100_B     Y   100_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     Y   101_B     Y   101_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     I   102_B     I   102_B     16   18   88     32   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T   103_B     T   103_B     16   18   88     20   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     N   104_B     N   104_B     16   18   88     20   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     T   105_B     T   105_B     16   18   88     16   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A   106_B     A   106_B     16   18   88     16   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A   107_B     A   107_B     16   18   88     16   56   62   68   72   74   76   78   78   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     L   108_B     L   108_B      6   18   88      4    5   25   45   56   68   74   75   77   79   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A   109_B     A   109_B      6   18   88      4    5   17   27   49   63   65   70   74   77   80   80   81   81   82   82   82   83   83   84 
LCS_GDT     A   110_B     A   110_B      6   11   88      3    5    7   12   15   18   64   69   70   73   75   77   81   81   82   82   82   82   83   84 
LCS_GDT     A   111_B     A   111_B      6   10   88      3    5    7    7   10   11   16   20   29   34   42   63   75   76   80   82   82   82   83   84 
LCS_AVERAGE  LCS_A:  47.15  (  27.40   40.71   73.34 )

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     32     56     62     68     72     74     76     78     78     79     80     80     81     81     82     82     82     83     83     84 
GDT PERCENT_AT  30.48  53.33  59.05  64.76  68.57  70.48  72.38  74.29  74.29  75.24  76.19  76.19  77.14  77.14  78.10  78.10  78.10  79.05  79.05  80.00
GDT RMS_LOCAL    0.36   0.63   0.77   1.00   1.24   1.40   1.59   1.77   1.77   1.86   2.03   2.03   2.27   2.17   2.40   2.40   2.40   2.61   2.61   2.82
GDT RMS_ALL_AT  18.86  18.88  18.83  18.74  18.67  18.64  18.56  18.54  18.54  18.57  18.63  18.63  18.69  18.62  18.69  18.69  18.69  18.54  18.54  18.60

# Checking swapping
#   possible swapping detected:  Y    11_B      Y    11_B
#   possible swapping detected:  D    19_B      D    19_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    53_B      E    53_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  Y    61_B      Y    61_B
#   possible swapping detected:  Y    78_B      Y    78_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  F    86_B      F    86_B
#   possible swapping detected:  D    87_B      D    87_B
#   possible swapping detected:  E    96_B      E    96_B
#   possible swapping detected:  Y   101_B      Y   101_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B    45.463     0    0.088   1.103    45.618    0.000    0.000
LGA    P     8_B      P     8_B    45.867     0    0.241   0.319    46.310    0.000    0.000
LGA    K     9_B      K     9_B    44.519     0    0.041   0.925    47.974    0.000    0.000
LGA    V    10_B      V    10_B    44.698     0    0.070   0.083    45.244    0.000    0.000
LGA    Y    11_B      Y    11_B    45.259     0    0.046   1.257    45.736    0.000    0.000
LGA    A    12_B      A    12_B    45.728     0    0.050   0.077    46.194    0.000    0.000
LGA    P    13_B      P    13_B    45.961     0    0.078   0.111    46.631    0.000    0.000
LGA    V    14_B      V    14_B    47.874     0    0.061   0.111    48.866    0.000    0.000
LGA    T    15_B      T    15_B    48.278     0    0.095   1.099    49.499    0.000    0.000
LGA    T    16_B      T    16_B    49.535     0    0.213   0.246    51.523    0.000    0.000
LGA    G    17_B      G    17_B    48.670     0    0.649   0.649    49.220    0.000    0.000
LGA    A    18_B      A    18_B    51.746     0    0.084   0.082    53.861    0.000    0.000
LGA    D    19_B      D    19_B    48.477     0    0.183   0.998    49.689    0.000    0.000
LGA    G    20_B      G    20_B    43.816     0    0.709   0.709    45.781    0.000    0.000
LGA    K    21_B      K    21_B    38.367     0    0.089   0.626    40.113    0.000    0.000
LGA    L    22_B      L    22_B    33.711     0    0.097   1.024    38.178    0.000    0.000
LGA    S    23_B      S    23_B    27.842     0    0.320   0.684    29.936    0.000    0.000
LGA    L    24_B      L    24_B    23.036     0    0.065   0.916    25.371    0.000    0.000
LGA    S    25_B      S    25_B    17.030     0    0.403   0.408    18.869    0.000    0.000
LGA    V    26_B      V    26_B    13.903     0    0.154   0.187    17.686    0.000    0.000
LGA    G    27_B      G    27_B     9.586     0    0.289   0.289    11.002    3.095    3.095
LGA    G    28_B      G    28_B     4.496     0    0.715   0.715     5.927   34.762   34.762
LGA    Y    29_B      Y    29_B     2.589     0    0.599   0.872     3.233   63.214   54.405
LGA    K    30_B      K    30_B     2.515     0    0.137   1.030     9.131   59.286   37.831
LGA    K    31_B      K    31_B     1.653     0    0.168   1.478    11.654   81.548   46.667
LGA    T    32_B      T    32_B     1.234     0    0.081   0.080     1.388   81.429   81.429
LGA    F    33_B      F    33_B     1.048     0    0.022   0.079     1.104   85.952   83.074
LGA    T    34_B      T    34_B     0.891     0    0.080   0.074     1.032   88.214   89.184
LGA    K    35_B      K    35_B     0.663     0    0.091   0.497     2.135   92.857   84.762
LGA    V    36_B      V    36_B     0.776     0    0.025   0.104     0.871   90.476   90.476
LGA    D    37_B      D    37_B     0.684     0    0.053   0.177     0.873   90.476   90.476
LGA    A    38_B      A    38_B     0.907     0    0.112   0.111     1.501   83.810   85.143
LGA    A    39_B      A    39_B     1.160     0    0.046   0.071     1.376   83.690   83.238
LGA    T    40_B      T    40_B     1.599     0    0.145   1.123     3.921   72.976   71.224
LGA    K    41_B      K    41_B     1.601     0    0.062   0.724     4.401   75.000   64.974
LGA    A    42_B      A    42_B     1.002     0    0.091   0.103     1.062   83.690   85.048
LGA    P    43_B      P    43_B     0.603     0    0.033   0.248     0.975   95.238   93.197
LGA    L    44_B      L    44_B     0.312     0    0.053   0.097     0.786   97.619   97.619
LGA    A    45_B      A    45_B     0.530     0    0.041   0.051     0.674   92.857   92.381
LGA    G    46_B      G    46_B     1.001     0    0.037   0.037     1.297   83.690   83.690
LGA    A    47_B      A    47_B     0.888     0    0.152   0.176     1.680   83.810   85.143
LGA    V    48_B      V    48_B     0.809     0    0.071   0.963     2.608   90.476   84.422
LGA    F    49_B      F    49_B     1.007     0    0.027   0.097     1.037   85.952   88.831
LGA    Q    50_B      Q    50_B     1.241     0    0.022   0.525     2.715   81.429   73.333
LGA    V    51_B      V    51_B     1.624     0    0.034   1.077     4.403   77.143   69.048
LGA    V    52_B      V    52_B     1.489     0    0.051   1.175     3.072   77.143   73.265
LGA    E    53_B      E    53_B     2.231     0    0.096   0.931     2.231   66.786   73.122
LGA    K    54_B      K    54_B     2.207     0    0.261   0.289     7.583   55.952   42.222
LGA    D    55_B      D    55_B     1.967     0    0.377   0.375     3.228   68.929   63.095
LGA    G    56_B      G    56_B     1.809     0    0.635   0.635     3.070   71.429   71.429
LGA    D    57_B      D    57_B     2.039     0    0.336   1.311     5.894   75.119   55.714
LGA    I    58_B      I    58_B     1.545     0    0.122   1.162     4.684   72.857   64.405
LGA    T    59_B      T    59_B     1.347     0    0.021   1.105     3.447   81.429   74.558
LGA    L    60_B      L    60_B     1.374     0    0.083   0.148     2.191   83.690   77.262
LGA    Y    61_B      Y    61_B     0.814     0    0.049   0.223     1.220   85.952   88.968
LGA    E    62_B      E    62_B     0.529     0    0.039   0.121     0.654   95.238   95.767
LGA    L    63_B      L    63_B     0.451     0    0.120   0.287     1.861   95.238   88.393
LGA    S    64_B      S    64_B     0.796     0    0.037   0.577     1.381   90.476   88.968
LGA    S    65_B      S    65_B     0.552     0    0.039   0.044     0.760   90.476   90.476
LGA    P    66_B      P    66_B     0.810     0    0.058   0.269     0.857   90.476   90.476
LGA    A    67_B      A    67_B     1.199     0    0.037   0.043     1.613   85.952   83.333
LGA    G    68_B      G    68_B     1.204     0    0.056   0.056     1.266   81.429   81.429
LGA    Y    69_B      Y    69_B     0.762     0    0.052   0.129     0.826   90.476   90.476
LGA    V    70_B      V    70_B     0.753     0    0.061   0.070     0.851   90.476   90.476
LGA    P    71_B      P    71_B     1.068     0    0.062   0.270     1.510   83.690   84.082
LGA    V    72_B      V    72_B     1.114     0    0.065   0.332     1.492   83.690   85.306
LGA    T    73_B      T    73_B     0.798     0    0.022   0.173     1.584   92.857   90.680
LGA    N    74_B      N    74_B     0.988     0    0.069   1.015     2.947   88.214   79.643
LGA    K    75_B      K    75_B     0.795     0    0.118   1.297     7.028   95.238   66.561
LGA    P    76_B      P    76_B     0.907     0    0.077   0.134     1.038   90.476   89.184
LGA    I    77_B      I    77_B     1.125     0    0.020   0.092     1.244   81.429   83.690
LGA    Y    78_B      Y    78_B     0.708     0    0.068   1.237     8.947   90.476   55.714
LGA    N    79_B      N    79_B     0.847     0    0.245   1.135     4.276   88.214   75.298
LGA    I    80_B      I    80_B     1.543     0    0.639   0.533     3.197   75.238   66.250
LGA    S    81_B      S    81_B     4.033     0    0.576   0.944     6.828   37.262   32.302
LGA    T    82_B      T    82_B     4.322     0    0.717   0.616     6.931   45.595   34.762
LGA    G    83_B      G    83_B     5.210     0    0.197   0.197     5.210   38.095   38.095
LGA    E    84_B      E    84_B     1.437     0    0.047   0.612    10.199   65.595   35.556
LGA    A    85_B      A    85_B     1.783     0    0.044   0.059     4.100   77.738   69.619
LGA    F    86_B      F    86_B     3.248     0    0.070   1.229    11.882   67.262   27.619
LGA    D    87_B      D    87_B     2.389     0    0.644   1.039     4.493   60.952   51.369
LGA    S    88_B      S    88_B     2.302     0    0.664   0.750     5.915   66.786   55.317
LGA    A    89_B      A    89_B     4.833     0    0.711   0.672     5.978   27.857   28.571
LGA    A    90_B      A    90_B     9.355     0    0.033   0.052    12.002    4.048    3.238
LGA    A    91_B      A    91_B     6.809     0    0.692   0.630     8.219   21.071   17.810
LGA    S    92_B      S    92_B     1.586     0    0.712   0.907     3.237   67.143   65.238
LGA    V    93_B      V    93_B     1.261     0    0.135   1.120     2.955   81.429   76.735
LGA    V    94_B      V    94_B     1.408     0    0.099   1.135     3.262   79.286   72.245
LGA    K    95_B      K    95_B     1.200     0    0.015   0.804     4.117   81.429   70.370
LGA    E    96_B      E    96_B     1.241     0    0.424   1.041     5.617   69.762   59.418
LGA    D    97_B      D    97_B     0.669     0    0.203   0.202     1.297   90.476   85.952
LGA    G    98_B      G    98_B     0.843     0    0.195   0.195     1.752   83.810   83.810
LGA    Q    99_B      Q    99_B     0.756     0    0.055   1.148     3.249   88.214   74.709
LGA    Y   100_B      Y   100_B     1.401     0    0.046   0.145     2.380   81.429   72.341
LGA    Y   101_B      Y   101_B     1.228     0    0.040   0.103     1.590   79.286   84.484
LGA    I   102_B      I   102_B     1.234     0    0.053   1.062     2.843   81.429   74.226
LGA    T   103_B      T   103_B     1.352     0    0.025   0.992     2.202   81.429   76.667
LGA    N   104_B      N   104_B     1.248     1    0.046   0.307     1.415   81.429   74.643
LGA    T   105_B      T   105_B     1.575     0    0.035   1.035     3.716   79.286   74.830
LGA    A   106_B      A   106_B     1.487     0    0.086   0.089     1.992   75.000   74.571
LGA    A   107_B      A   107_B     1.870     0    0.068   0.066     4.090   58.214   62.857
LGA    L   108_B      L   108_B     5.563     0    0.086   0.905     6.485   23.214   22.381
LGA    A   109_B      A   109_B     8.161     0    0.129   0.191     8.867    5.119    4.667
LGA    A   110_B      A   110_B    10.681     0    0.653   0.626    11.448    0.238    0.190
LGA    A   111_B      A   111_B    14.872     0    0.444   0.517    15.937    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):    16.261         16.188                 16.076           58.834   54.460

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     78    1.77    67.619    62.324     4.176

LGA_LOCAL      RMSD:   1.768  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.541  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  16.261  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.535934 * X  +   0.807312 * Y  +   0.247027 * Z  +  -2.408105
  Y_new =   0.352329 * X  +   0.479769 * Y  +  -0.803546 * Z  + -107.535011
  Z_new =  -0.767228 * X  +  -0.343613 * Y  +  -0.541564 * Z  +   3.444369 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.560025  0.874508 -2.576204   [DEG:  146.6786   50.1056 -147.6056 ]
ZXZ:  0.298252  2.143093 -1.991871   [DEG:   17.0886  122.7902 -114.1258 ]
 
# END of job
