
#######################################################
#                                                     #
#                        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:    89      23_B - 111_B       4.44    15.52
  LCS_AVERAGE:     74.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      29_B - 89_B        1.87    15.99
  LCS_AVERAGE:     39.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      43_B - 78_B        1.00    16.41
  LCS_AVERAGE:     18.73

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      4    7   16      3    3    4    5    6    6    7    7   11   12   14   14   15   15   15   15   15   15   15   16 
LCS_GDT     P     8_B     P     8_B      6    9   16      3    5    7    8    9    9   10   10   11   13   14   14   15   15   15   15   15   15   15   16 
LCS_GDT     K     9_B     K     9_B      6    9   16      3    5    7    8    9    9   10   11   11   13   14   14   15   15   15   15   15   15   15   16 
LCS_GDT     V    10_B     V    10_B      6    9   16      3    5    7    8    9    9   10   11   11   13   14   14   15   15   15   15   15   15   15   16 
LCS_GDT     Y    11_B     Y    11_B      6    9   16      4    5    7    8    9    9   10   11   11   13   14   14   15   15   15   15   15   15   15   16 
LCS_GDT     A    12_B     A    12_B      6    9   16      4    5    7    8    9    9   10   11   11   13   14   14   15   15   15   15   15   16   18   19 
LCS_GDT     P    13_B     P    13_B      6    9   16      4    5    7    8    9    9   10   11   11   13   14   14   15   15   15   16   18   19   21   21 
LCS_GDT     V    14_B     V    14_B      6    9   17      4    5    7    8    9    9   10   11   11   13   14   14   15   16   17   20   21   21   23   23 
LCS_GDT     T    15_B     T    15_B      5    9   17      4    4    5    8    9    9   10   11   11   13   14   17   18   20   20   21   23   23   25   25 
LCS_GDT     T    16_B     T    16_B      5    9   17      4    4    5    8    9    9   10   11   12   13   15   17   18   20   20   20   24   24   25   25 
LCS_GDT     G    17_B     G    17_B      5    9   17      4    4    5    6    8    9   10   11   14   15   16   17   19   20   21   21   24   24   25   26 
LCS_GDT     A    18_B     A    18_B      3    6   17      3    3    3    4    5    7    7   11   14   15   16   17   19   20   21   21   24   24   25   26 
LCS_GDT     D    19_B     D    19_B      3    9   17      3    3    4    7    9    9   11   12   14   15   16   17   19   20   21   21   24   24   25   25 
LCS_GDT     G    20_B     G    20_B      3    9   17      3    3    7    8    9    9   11   12   14   15   16   17   19   20   21   21   24   24   25   25 
LCS_GDT     K    21_B     K    21_B      6    9   17      4    5    7    8    8    8   10   11   12   14   16   17   18   20   21   21   24   24   25   25 
LCS_GDT     L    22_B     L    22_B      6    9   87      4    5    7    8    9    9   11   12   14   15   16   17   19   20   21   21   24   24   29   32 
LCS_GDT     S    23_B     S    23_B      6    9   89      4    5    7    8    9    9   11   12   14   15   16   17   19   23   25   26   39   42   52   61 
LCS_GDT     L    24_B     L    24_B      6    9   89      4    5    7    8    9    9   11   12   14   19   24   26   31   44   58   70   78   81   82   85 
LCS_GDT     S    25_B     S    25_B      6    9   89      3    5    7    8    9   13   19   23   32   42   54   63   71   78   79   82   83   84   86   87 
LCS_GDT     V    26_B     V    26_B      6    9   89      3    5    7    8   10   20   30   44   58   70   77   79   79   80   81   83   83   84   86   87 
LCS_GDT     G    27_B     G    27_B      5    9   89      3    5    7    8    9   10   12   13   15   21   25   28   62   71   80   82   83   84   86   87 
LCS_GDT     G    28_B     G    28_B      4    9   89      3    4    4    5    9   10   11   12   18   53   69   73   78   80   81   82   83   84   86   87 
LCS_GDT     Y    29_B     Y    29_B      5   61   89      3    4    5    7   10   21   36   71   77   77   78   79   80   81   82   83   83   84   86   87 
LCS_GDT     K    30_B     K    30_B      5   61   89      3    8   17   40   68   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     K    31_B     K    31_B     23   61   89      8   51   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T    32_B     T    32_B     23   61   89     16   49   59   66   70   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     F    33_B     F    33_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T    34_B     T    34_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     K    35_B     K    35_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    36_B     V    36_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     D    37_B     D    37_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    38_B     A    38_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    39_B     A    39_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T    40_B     T    40_B     23   61   89     19   49   59   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     K    41_B     K    41_B     23   61   89     19   49   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    42_B     A    42_B     23   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     P    43_B     P    43_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     L    44_B     L    44_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    45_B     A    45_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     G    46_B     G    46_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    47_B     A    47_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    48_B     V    48_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     F    49_B     F    49_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Q    50_B     Q    50_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    51_B     V    51_B     36   61   89     14   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    52_B     V    52_B     36   61   89      6   49   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     E    53_B     E    53_B     36   61   89     10   35   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     K    54_B     K    54_B     36   61   89      4   18   46   64   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     D    55_B     D    55_B     36   61   89      5   14   32   60   69   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     G    56_B     G    56_B     36   61   89      5   10   20   58   69   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     D    57_B     D    57_B     36   61   89     11   31   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     I    58_B     I    58_B     36   61   89     10   40   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T    59_B     T    59_B     36   61   89     14   51   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     L    60_B     L    60_B     36   61   89     14   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Y    61_B     Y    61_B     36   61   89     15   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     E    62_B     E    62_B     36   61   89     26   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     L    63_B     L    63_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     S    64_B     S    64_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     S    65_B     S    65_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     P    66_B     P    66_B     36   61   89     17   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    67_B     A    67_B     36   61   89     14   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     G    68_B     G    68_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Y    69_B     Y    69_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    70_B     V    70_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     P    71_B     P    71_B     36   61   89     11   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    72_B     V    72_B     36   61   89     13   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T    73_B     T    73_B     36   61   89     17   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     N    74_B     N    74_B     36   61   89      6   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     K    75_B     K    75_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     P    76_B     P    76_B     36   61   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     I    77_B     I    77_B     36   61   89     16   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Y    78_B     Y    78_B     36   61   89     14   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     N    79_B     N    79_B     24   61   89      8   48   59   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     I    80_B     I    80_B     23   61   89      4   10   28   55   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     S    81_B     S    81_B      5   61   89      4   13   36   65   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T    82_B     T    82_B      4   61   89      4   16   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     G    83_B     G    83_B      4   61   89      4    7   20   60   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     E    84_B     E    84_B      4   61   89      4   37   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    85_B     A    85_B      4   61   89      4    7   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     F    86_B     F    86_B      4   61   89      4    4   28   65   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     D    87_B     D    87_B      3   61   89      3    9   49   63   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     S    88_B     S    88_B      3   61   89      1   11   54   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    89_B     A    89_B      4   61   89      3    4    4    4   11   54   68   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A    90_B     A    90_B      4    5   89      3    3    4    4    5    8    9   13   16   17   23   55   74   80   81   82   83   84   85   87 
LCS_GDT     A    91_B     A    91_B      4   19   89      3    4    4    5   10   19   39   54   69   75   78   79   80   81   82   83   83   84   86   87 
LCS_GDT     S    92_B     S    92_B     16   19   89     23   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    93_B     V    93_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     V    94_B     V    94_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     K    95_B     K    95_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     E    96_B     E    96_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     D    97_B     D    97_B     16   19   89     20   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     G    98_B     G    98_B     16   19   89     20   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Q    99_B     Q    99_B     16   19   89     20   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Y   100_B     Y   100_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     Y   101_B     Y   101_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     I   102_B     I   102_B     16   19   89     31   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T   103_B     T   103_B     16   19   89     23   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     N   104_B     N   104_B     16   19   89     23   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     T   105_B     T   105_B     16   19   89     23   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A   106_B     A   106_B     16   19   89     23   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A   107_B     A   107_B     16   19   89     20   52   60   66   71   73   75   76   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     L   108_B     L   108_B      9   19   89      4    5   23   48   59   70   73   75   77   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A   109_B     A   109_B      5   19   89      4    5   11   15   26   37   62   68   73   75   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A   110_B     A   110_B      5   19   89      4    5    8   19   26   63   69   73   74   78   79   80   80   81   82   83   83   84   86   87 
LCS_GDT     A   111_B     A   111_B      3    3   89      3    3    3    3    4    4    4    4    5   66   74   80   80   81   82   83   83   84   86   87 
LCS_AVERAGE  LCS_A:  44.21  (  18.73   39.02   74.88 )

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     31     52     60     66     71     73     75     76     77     78     79     80     80     81     82     83     83     84     86     87 
GDT PERCENT_AT  29.52  49.52  57.14  62.86  67.62  69.52  71.43  72.38  73.33  74.29  75.24  76.19  76.19  77.14  78.10  79.05  79.05  80.00  81.90  82.86
GDT RMS_LOCAL    0.35   0.61   0.91   0.99   1.32   1.38   1.53   1.63   1.69   1.81   1.93   2.05   2.05   2.19   2.33   2.58   2.58   2.78   3.42   3.56
GDT RMS_ALL_AT  16.55  16.52  16.30  16.31  16.14  16.12  16.06  16.06  16.09  16.13  16.18  16.20  16.20  16.20  16.16  16.05  16.05  16.06  15.76  15.77

# Checking swapping
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  D    55_B      D    55_B
#   possible swapping detected:  Y    61_B      Y    61_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B    40.697     0    0.110   1.556    41.900    0.000    0.000
LGA    P     8_B      P     8_B    43.865     0    0.274   0.347    45.251    0.000    0.000
LGA    K     9_B      K     9_B    42.292     0    0.082   1.665    45.593    0.000    0.000
LGA    V    10_B      V    10_B    42.552     0    0.136   0.156    43.880    0.000    0.000
LGA    Y    11_B      Y    11_B    40.292     0    0.116   1.288    41.569    0.000    0.000
LGA    A    12_B      A    12_B    40.187     0    0.037   0.049    40.612    0.000    0.000
LGA    P    13_B      P    13_B    42.095     0    0.070   0.128    44.031    0.000    0.000
LGA    V    14_B      V    14_B    40.419     0    0.060   1.057    41.798    0.000    0.000
LGA    T    15_B      T    15_B    41.789     0    0.123   1.038    42.701    0.000    0.000
LGA    T    16_B      T    16_B    39.958     0    0.066   1.014    42.231    0.000    0.000
LGA    G    17_B      G    17_B    40.184     0    0.139   0.139    40.785    0.000    0.000
LGA    A    18_B      A    18_B    41.338     0    0.677   0.633    41.795    0.000    0.000
LGA    D    19_B      D    19_B    40.408     0    0.674   1.273    40.435    0.000    0.000
LGA    G    20_B      G    20_B    37.054     0    0.716   0.716    38.675    0.000    0.000
LGA    K    21_B      K    21_B    32.213     0    0.236   0.782    35.226    0.000    0.000
LGA    L    22_B      L    22_B    25.195     0    0.102   0.166    27.730    0.000    0.000
LGA    S    23_B      S    23_B    21.914     0    0.281   0.254    25.362    0.000    0.000
LGA    L    24_B      L    24_B    15.977     0    0.088   0.129    18.470    0.000    0.000
LGA    S    25_B      S    25_B    13.658     0    0.495   0.848    17.267    0.000    0.000
LGA    V    26_B      V    26_B    10.267     0    0.225   0.284    11.189    0.000    0.136
LGA    G    27_B      G    27_B    13.403     0    0.203   0.203    13.403    0.000    0.000
LGA    G    28_B      G    28_B    12.176     0    0.234   0.234    12.953    1.310    1.310
LGA    Y    29_B      Y    29_B     6.964     0    0.556   1.259    13.806   15.595    5.595
LGA    K    30_B      K    30_B     4.434     0    0.070   0.972    10.691   53.690   28.995
LGA    K    31_B      K    31_B     0.522     0    0.205   0.844     9.996   81.667   49.735
LGA    T    32_B      T    32_B     1.968     0    0.195   0.255     3.471   75.000   64.286
LGA    F    33_B      F    33_B     0.876     0    0.025   0.184     1.720   88.214   84.805
LGA    T    34_B      T    34_B     0.820     0    0.066   1.061     2.627   90.476   83.197
LGA    K    35_B      K    35_B     0.620     0    0.092   0.514     2.007   90.476   85.714
LGA    V    36_B      V    36_B     0.756     0    0.014   0.110     0.878   90.476   90.476
LGA    D    37_B      D    37_B     0.685     0    0.044   0.380     1.738   90.476   88.274
LGA    A    38_B      A    38_B     0.955     0    0.120   0.118     1.630   83.810   85.143
LGA    A    39_B      A    39_B     1.525     0    0.046   0.069     1.917   75.000   74.571
LGA    T    40_B      T    40_B     1.902     0    0.117   1.093     3.651   70.833   65.238
LGA    K    41_B      K    41_B     1.644     0    0.026   0.831     5.944   75.000   57.725
LGA    A    42_B      A    42_B     0.894     0    0.087   0.096     1.028   85.952   86.857
LGA    P    43_B      P    43_B     0.498     0    0.049   0.093     0.778   95.238   93.197
LGA    L    44_B      L    44_B     0.304     0    0.057   0.113     0.791   97.619   94.048
LGA    A    45_B      A    45_B     0.453     0    0.044   0.058     0.755   95.238   96.190
LGA    G    46_B      G    46_B     0.943     0    0.055   0.055     1.354   85.952   85.952
LGA    A    47_B      A    47_B     0.932     0    0.165   0.197     1.774   83.810   85.143
LGA    V    48_B      V    48_B     0.816     0    0.070   0.075     0.895   90.476   90.476
LGA    F    49_B      F    49_B     0.962     0    0.014   0.075     1.089   90.476   88.009
LGA    Q    50_B      Q    50_B     1.018     0    0.031   0.912     3.035   88.214   82.963
LGA    V    51_B      V    51_B     1.067     0    0.022   0.239     1.478   85.952   84.014
LGA    V    52_B      V    52_B     0.694     0    0.072   1.106     2.930   88.214   81.837
LGA    E    53_B      E    53_B     1.711     0    0.035   1.011     1.987   77.143   76.667
LGA    K    54_B      K    54_B     2.831     0    0.309   0.937     7.463   47.857   34.709
LGA    D    55_B      D    55_B     3.727     0    0.269   1.070     5.320   50.119   40.833
LGA    G    56_B      G    56_B     3.393     0    0.289   0.289     3.563   50.119   50.119
LGA    D    57_B      D    57_B     1.622     0    0.145   1.109     2.747   72.976   73.095
LGA    I    58_B      I    58_B     1.112     0    0.106   1.147     4.509   81.429   68.333
LGA    T    59_B      T    59_B     1.066     0    0.025   1.098     3.258   83.690   74.762
LGA    L    60_B      L    60_B     1.102     0    0.095   0.850     2.890   85.952   78.571
LGA    Y    61_B      Y    61_B     0.883     0    0.054   0.183     1.154   85.952   87.460
LGA    E    62_B      E    62_B     0.684     0    0.031   0.153     0.897   92.857   91.534
LGA    L    63_B      L    63_B     0.580     0    0.131   1.036     2.515   90.476   80.833
LGA    S    64_B      S    64_B     0.773     0    0.032   0.592     1.329   90.476   88.968
LGA    S    65_B      S    65_B     0.585     0    0.045   0.058     0.721   90.476   90.476
LGA    P    66_B      P    66_B     0.777     0    0.066   0.064     0.906   92.857   91.837
LGA    A    67_B      A    67_B     0.921     0    0.067   0.068     1.350   92.857   90.571
LGA    G    68_B      G    68_B     0.861     0    0.044   0.044     1.087   88.214   88.214
LGA    Y    69_B      Y    69_B     0.345     0    0.048   0.106     1.009  100.000   93.690
LGA    V    70_B      V    70_B     0.624     0    0.076   1.073     2.409   90.476   83.129
LGA    P    71_B      P    71_B     1.024     0    0.063   0.145     1.085   88.214   87.891
LGA    V    72_B      V    72_B     0.957     0    0.076   0.315     1.100   85.952   85.306
LGA    T    73_B      T    73_B     1.038     0    0.033   0.110     1.503   88.214   85.374
LGA    N    74_B      N    74_B     1.143     0    0.065   0.114     1.881   83.690   79.345
LGA    K    75_B      K    75_B     0.599     0    0.094   0.943     6.232   92.857   69.048
LGA    P    76_B      P    76_B     0.816     0    0.074   0.112     0.993   90.476   90.476
LGA    I    77_B      I    77_B     0.885     0    0.028   0.649     2.402   88.214   86.131
LGA    Y    78_B      Y    78_B     0.982     0    0.100   0.489     3.188   85.952   73.492
LGA    N    79_B      N    79_B     1.427     0    0.106   1.108     4.844   73.214   59.345
LGA    I    80_B      I    80_B     3.282     0    0.626   1.579     5.975   59.286   46.429
LGA    S    81_B      S    81_B     2.946     0    0.103   0.096     4.988   65.357   56.032
LGA    T    82_B      T    82_B     1.605     0    0.713   1.377     5.713   77.143   60.476
LGA    G    83_B      G    83_B     3.060     0    0.625   0.625     3.060   67.500   67.500
LGA    E    84_B      E    84_B     1.419     0    0.189   1.214     8.654   71.190   41.323
LGA    A    85_B      A    85_B     1.715     0    0.072   0.073     3.622   79.643   72.381
LGA    F    86_B      F    86_B     2.489     0    0.099   1.313     8.833   75.595   35.325
LGA    D    87_B      D    87_B     2.494     0    0.607   1.219     7.748   72.976   44.464
LGA    S    88_B      S    88_B     2.233     0    0.664   0.846     6.081   64.762   54.365
LGA    A    89_B      A    89_B     5.048     0    0.706   0.669     6.214   25.476   26.667
LGA    A    90_B      A    90_B     9.671     0    0.034   0.047    12.266    2.857    2.286
LGA    A    91_B      A    91_B     6.891     0    0.696   0.632     8.271   20.238   17.143
LGA    S    92_B      S    92_B     1.482     0    0.711   0.902     3.117   71.429   68.095
LGA    V    93_B      V    93_B     1.144     0    0.129   1.088     2.779   81.429   76.735
LGA    V    94_B      V    94_B     1.423     0    0.086   1.060     2.958   81.429   74.490
LGA    K    95_B      K    95_B     1.262     0    0.027   0.238     1.573   81.429   80.476
LGA    E    96_B      E    96_B     1.258     0    0.428   1.329     3.856   69.762   67.989
LGA    D    97_B      D    97_B     0.588     0    0.212   0.267     1.427   92.857   87.143
LGA    G    98_B      G    98_B     0.808     0    0.169   0.169     1.569   86.071   86.071
LGA    Q    99_B      Q    99_B     0.708     0    0.043   1.226     5.193   88.214   72.963
LGA    Y   100_B      Y   100_B     1.334     0    0.043   0.263     3.719   81.429   66.706
LGA    Y   101_B      Y   101_B     1.073     0    0.043   0.078     1.558   79.286   85.992
LGA    I   102_B      I   102_B     1.184     0    0.059   0.085     1.227   81.429   82.560
LGA    T   103_B      T   103_B     1.321     0    0.013   1.033     2.381   81.429   76.667
LGA    N   104_B      N   104_B     1.090     1    0.043   0.452     1.649   81.429   71.310
LGA    T   105_B      T   105_B     1.199     0    0.034   1.020     3.196   83.690   78.231
LGA    A   106_B      A   106_B     1.096     0    0.080   0.093     1.303   81.429   81.429
LGA    A   107_B      A   107_B     1.277     0    0.100   0.105     3.853   68.095   69.048
LGA    L   108_B      L   108_B     4.489     0    0.057   1.382     6.811   38.929   34.345
LGA    A   109_B      A   109_B     7.084     0    0.031   0.046     8.715   17.619   14.667
LGA    A   110_B      A   110_B     6.396     0    0.365   0.365     8.636   19.524   16.190
LGA    A   111_B      A   111_B     7.442     0    0.514   0.546     9.301   16.667   13.619

# 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):    13.820         13.742                 13.613           59.766   54.888

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     76    1.63    65.952    60.946     4.397

LGA_LOCAL      RMSD:   1.628  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.060  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  13.820  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.546051 * X  +   0.837604 * Y  +  -0.015748 * Z  + -11.901974
  Y_new =   0.193298 * X  +   0.107680 * Y  +  -0.975213 * Z  + -90.216637
  Z_new =  -0.815147 * X  +  -0.535561 * Y  +  -0.220706 * Z  +  24.343201 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.801365  0.952982 -1.961692   [DEG:  160.5064   54.6019 -112.3967 ]
ZXZ: -0.016147  1.793334 -2.152085   [DEG:   -0.9252  102.7505 -123.3054 ]
 
# END of job
