
#######################################################
#                                                     #
#                        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    14.52
  LCS_AVERAGE:     73.79

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      28_B - 73_B        1.84    14.98
  LCS_AVERAGE:     30.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      30_B - 51_B        0.92    15.16
  LCS_AVERAGE:     11.92

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      8   11   23      4    9   10   11   14   15   16   18   20   27   37   50   65   73   81   82   83   86   87   87 
LCS_GDT     P     8_B     P     8_B      8   11   23      4    9   10   11   18   21   37   41   48   73   75   76   80   81   83   84   86   86   87   87 
LCS_GDT     K     9_B     K     9_B      8   11   23      4    9   10   11   14   19   25   33   39   46   53   77   80   82   83   84   86   86   87   87 
LCS_GDT     V    10_B     V    10_B      8   14   23      4    9   10   11   14   15   16   18   20   22   30   35   38   45   58   63   68   83   84   84 
LCS_GDT     Y    11_B     Y    11_B      8   14   23      3    9   10   11   14   15   16   18   20   21   21   21   21   22   37   38   53   55   63   77 
LCS_GDT     A    12_B     A    12_B      8   14   23      3    9   10   11   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   27 
LCS_GDT     P    13_B     P    13_B     10   14   23      4    9   10   11   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     V    14_B     V    14_B     10   14   23      4    6   10   11   13   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     T    15_B     T    15_B     10   14   23      4    6   10   10   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     T    16_B     T    16_B     10   14   23      4    6   10   10   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     G    17_B     G    17_B     10   14   23      4    6   10   10   12   14   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     A    18_B     A    18_B     10   14   23      4    6   10   10   12   14   15   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     D    19_B     D    19_B     10   14   23      4    6   10   10   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     G    20_B     G    20_B     10   14   23      4    6   10   10   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     K    21_B     K    21_B     10   14   23      4    6   10   11   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     L    22_B     L    22_B     10   14   23      4    9   10   11   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     S    23_B     S    23_B      5   14   23      3    9   10   11   14   15   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     L    24_B     L    24_B      5   14   88      3    4    6    8   10   14   16   18   20   21   21   21   21   22   22   23   23   24   25   26 
LCS_GDT     S    25_B     S    25_B      5    9   88      3    4    6    8   10   13   15   18   20   21   21   21   21   22   22   23   23   32   51   73 
LCS_GDT     V    26_B     V    26_B      5    9   88      3    4    6    8   10   13   15   18   20   21   21   21   29   49   67   80   83   84   85   85 
LCS_GDT     G    27_B     G    27_B      5   28   88      3    4    6    8   10   12   30   56   77   80   81   82   82   85   85   85   86   86   87   87 
LCS_GDT     G    28_B     G    28_B      6   46   88      0    3   28   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Y    29_B     Y    29_B     21   46   88      0    3   32   50   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    30_B     K    30_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    31_B     K    31_B     22   46   88     13   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T    32_B     T    32_B     22   46   88      5   27   41   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     F    33_B     F    33_B     22   46   88      5   20   41   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T    34_B     T    34_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    35_B     K    35_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    36_B     V    36_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     D    37_B     D    37_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    38_B     A    38_B     22   46   88     17   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    39_B     A    39_B     22   46   88     10   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T    40_B     T    40_B     22   46   88      4   20   41   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    41_B     K    41_B     22   46   88      3   19   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    42_B     A    42_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     P    43_B     P    43_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     L    44_B     L    44_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    45_B     A    45_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     G    46_B     G    46_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    47_B     A    47_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    48_B     V    48_B     22   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     F    49_B     F    49_B     22   46   88     17   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Q    50_B     Q    50_B     22   46   88      6   32   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    51_B     V    51_B     22   46   88     11   32   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    52_B     V    52_B     20   46   88      8   26   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     E    53_B     E    53_B     14   46   88      6   19   37   50   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    54_B     K    54_B     14   46   88      6   12   24   43   59   68   73   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     D    55_B     D    55_B     14   46   88      3    9   16   35   56   67   73   76   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     G    56_B     G    56_B     14   46   88      4   10   19   33   54   66   73   76   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     D    57_B     D    57_B     14   46   88      5   13   24   42   59   68   73   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     I    58_B     I    58_B     14   46   88      4   16   31   47   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T    59_B     T    59_B     14   46   88      9   26   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     L    60_B     L    60_B     14   46   88      9   26   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Y    61_B     Y    61_B     14   46   88      9   26   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     E    62_B     E    62_B     14   46   88      9   32   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     L    63_B     L    63_B     13   46   88     17   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     S    64_B     S    64_B     13   46   88     20   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     S    65_B     S    65_B     13   46   88      9   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     P    66_B     P    66_B     13   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    67_B     A    67_B     13   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     G    68_B     G    68_B     13   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Y    69_B     Y    69_B     13   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    70_B     V    70_B     13   46   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     P    71_B     P    71_B      9   46   88      4    5   24   47   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    72_B     V    72_B      6   46   88      4    5   10   23   58   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T    73_B     T    73_B      3   46   88      3    3   18   45   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     N    74_B     N    74_B      4   33   88      3    4    4    7   10   11   31   38   55   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    75_B     K    75_B      4   33   88      3    9   15   34   56   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     P    76_B     P    76_B      4   33   88      7   26   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     I    77_B     I    77_B      5   11   88      3   24   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Y    78_B     Y    78_B      5   11   88      3    8   20   38   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     N    79_B     N    79_B      5   13   88      5   16   35   50   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     I    80_B     I    80_B      5   15   88      3    5   13   29   56   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     S    81_B     S    81_B      6   15   88      4    5   21   36   56   68   73   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T    82_B     T    82_B      6   25   88      4    5   12   30   57   68   73   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     G    83_B     G    83_B      6   27   88      4    5   16   30   56   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     E    84_B     E    84_B      6   27   88      4    5   10   22   48   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    85_B     A    85_B      6   27   88      3    5   10   24   47   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     F    86_B     F    86_B      6   27   88      3    5   18   44   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     D    87_B     D    87_B      6   27   88      4   15   36   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     S    88_B     S    88_B      6   27   88      3    9   18   50   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    89_B     A    89_B      6   27   88      4    6    9   23   48   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    90_B     A    90_B      5   27   88      4   14   32   50   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A    91_B     A    91_B     14   27   88     13   32   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     S    92_B     S    92_B     14   27   88     19   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    93_B     V    93_B     14   27   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     V    94_B     V    94_B     14   27   88      5   17   41   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     K    95_B     K    95_B     14   27   88      5   16   39   45   55   64   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     E    96_B     E    96_B     14   27   88      5   14   27   45   54   64   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     D    97_B     D    97_B     14   27   88      6   14   21   45   54   64   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     G    98_B     G    98_B     14   27   88      3    8   20   29   50   64   73   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Q    99_B     Q    99_B     14   27   88      6   14   27   45   54   64   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Y   100_B     Y   100_B     14   27   88      6   17   39   48   55   65   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     Y   101_B     Y   101_B     14   27   88      7   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     I   102_B     I   102_B     14   27   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T   103_B     T   103_B     14   27   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     N   104_B     N   104_B     14   27   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     T   105_B     T   105_B     10   27   88     19   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A   106_B     A   106_B     10   27   88     21   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A   107_B     A   107_B     10   27   88     10   33   44   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     L   108_B     L   108_B     10   27   88      6   17   41   51   59   68   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A   109_B     A   109_B      7   27   88      3   14   23   45   54   67   74   78   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A   110_B     A   110_B      7   27   88      3    5   19   21   33   58   65   77   80   83   83   83   84   85   85   85   86   86   87   87 
LCS_GDT     A   111_B     A   111_B      7   25   88      3    4   15   21   28   35   47   64   70   77   79   81   84   85   85   85   85   86   87   87 
LCS_AVERAGE  LCS_A:  38.77  (  11.92   30.61   73.79 )

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     21     33     44     51     59     68     74     78     80     83     83     83     84     85     85     85     86     86     87     87 
GDT PERCENT_AT  20.00  31.43  41.90  48.57  56.19  64.76  70.48  74.29  76.19  79.05  79.05  79.05  80.00  80.95  80.95  80.95  81.90  81.90  82.86  82.86
GDT RMS_LOCAL    0.36   0.54   0.91   1.16   1.45   1.85   2.03   2.19   2.29   2.53   2.53   2.53   2.66   2.80   2.80   2.80   3.14   3.14   3.36   3.36
GDT RMS_ALL_AT  15.08  15.13  15.01  15.04  14.97  14.88  14.91  14.87  14.86  14.92  14.92  14.92  14.96  14.89  14.89  14.89  14.78  14.78  14.81  14.81

# Checking swapping
#   possible swapping detected:  Y    11_B      Y    11_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  E    53_B      E    53_B
#   possible swapping detected:  D    55_B      D    55_B
#   possible swapping detected:  Y    61_B      Y    61_B
#   possible swapping detected:  Y    69_B      Y    69_B
#   possible swapping detected:  F    86_B      F    86_B
#   possible swapping detected:  E    96_B      E    96_B
#   possible swapping detected:  Y   100_B      Y   100_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B    12.879     0    0.066   1.546    14.824    0.000    0.000
LGA    P     8_B      P     8_B    11.505     0    0.212   0.390    12.728    0.000    0.000
LGA    K     9_B      K     9_B    12.231     0    0.108   1.135    13.685    0.000    0.000
LGA    V    10_B      V    10_B    17.064     0    0.019   0.100    20.910    0.000    0.000
LGA    Y    11_B      Y    11_B    20.044     0    0.099   0.303    23.636    0.000    0.000
LGA    A    12_B      A    12_B    26.410     0    0.023   0.036    27.859    0.000    0.000
LGA    P    13_B      P    13_B    31.896     0    0.054   0.373    34.053    0.000    0.000
LGA    V    14_B      V    14_B    35.266     0    0.161   1.127    38.961    0.000    0.000
LGA    T    15_B      T    15_B    40.784     0    0.160   1.034    42.022    0.000    0.000
LGA    T    16_B      T    16_B    44.248     0    0.064   1.042    47.342    0.000    0.000
LGA    G    17_B      G    17_B    45.611     0    0.122   0.122    48.717    0.000    0.000
LGA    A    18_B      A    18_B    50.314     0    0.073   0.078    52.177    0.000    0.000
LGA    D    19_B      D    19_B    48.866     0    0.090   0.110    49.416    0.000    0.000
LGA    G    20_B      G    20_B    48.840     0    0.013   0.013    48.840    0.000    0.000
LGA    K    21_B      K    21_B    42.263     0    0.050   0.837    44.557    0.000    0.000
LGA    L    22_B      L    22_B    37.828     0    0.075   0.901    41.840    0.000    0.000
LGA    S    23_B      S    23_B    31.460     0    0.374   0.375    33.971    0.000    0.000
LGA    L    24_B      L    24_B    25.665     0    0.137   0.921    27.948    0.000    0.000
LGA    S    25_B      S    25_B    18.926     0    0.435   0.823    21.337    0.000    0.000
LGA    V    26_B      V    26_B    13.883     0    0.042   1.067    15.801    0.000    0.000
LGA    G    27_B      G    27_B     7.948     0    0.311   0.311     9.974   11.548   11.548
LGA    G    28_B      G    28_B     1.690     0    0.707   0.707     3.771   63.452   63.452
LGA    Y    29_B      Y    29_B     2.240     0    0.644   1.053     5.171   63.452   57.579
LGA    K    30_B      K    30_B     0.352     0    0.173   0.797     4.806   92.857   72.698
LGA    K    31_B      K    31_B     1.097     0    0.026   0.902     3.163   83.690   75.291
LGA    T    32_B      T    32_B     1.816     0    0.154   0.217     2.443   68.810   67.075
LGA    F    33_B      F    33_B     2.008     0    0.147   0.457     5.810   72.976   49.221
LGA    T    34_B      T    34_B     0.239     0    0.019   0.070     0.910   95.238   93.197
LGA    K    35_B      K    35_B     0.446     0    0.033   0.499     1.683   95.238   88.730
LGA    V    36_B      V    36_B     0.930     0    0.039   0.055     1.576   90.476   85.374
LGA    D    37_B      D    37_B     1.123     0    0.063   0.461     2.011   75.119   78.333
LGA    A    38_B      A    38_B     2.097     0    0.041   0.041     2.498   66.786   66.381
LGA    A    39_B      A    39_B     1.925     0    0.152   0.157     2.299   68.810   69.619
LGA    T    40_B      T    40_B     2.254     0    0.642   0.534     4.038   57.857   60.884
LGA    K    41_B      K    41_B     0.929     0    0.030   1.030     4.214   88.214   74.868
LGA    A    42_B      A    42_B     1.186     0    0.057   0.083     1.909   88.214   85.143
LGA    P    43_B      P    43_B     0.833     0    0.048   0.386     1.604   92.976   86.803
LGA    L    44_B      L    44_B     0.348     0    0.140   0.163     0.520   97.619   97.619
LGA    A    45_B      A    45_B     1.144     0    0.023   0.023     1.382   83.690   83.238
LGA    G    46_B      G    46_B     1.606     0    0.040   0.040     1.689   75.000   75.000
LGA    A    47_B      A    47_B     1.329     0    0.060   0.074     1.428   81.429   81.429
LGA    V    48_B      V    48_B     1.243     0    0.030   0.041     1.857   81.429   77.755
LGA    F    49_B      F    49_B     0.810     0    0.041   0.105     0.992   90.476   90.476
LGA    Q    50_B      Q    50_B     0.897     0    0.028   1.219     5.049   88.214   70.423
LGA    V    51_B      V    51_B     0.932     0    0.014   1.193     3.850   90.476   79.932
LGA    V    52_B      V    52_B     0.981     0    0.065   0.091     1.427   85.952   87.891
LGA    E    53_B      E    53_B     2.020     0    0.050   0.987     5.704   62.976   54.021
LGA    K    54_B      K    54_B     3.592     0    0.093   0.658     7.831   41.905   30.317
LGA    D    55_B      D    55_B     4.811     0    0.288   0.887     6.450   34.286   28.512
LGA    G    56_B      G    56_B     5.021     0    0.642   0.642     5.021   33.214   33.214
LGA    D    57_B      D    57_B     3.717     0    0.089   0.148     4.951   49.167   57.202
LGA    I    58_B      I    58_B     2.669     0    0.055   1.295     7.028   55.357   48.036
LGA    T    59_B      T    59_B     1.939     0    0.137   1.083     4.226   72.857   67.755
LGA    L    60_B      L    60_B     1.722     0    0.034   0.052     1.767   72.857   72.857
LGA    Y    61_B      Y    61_B     1.739     0    0.086   1.310     9.455   72.857   44.365
LGA    E    62_B      E    62_B     1.754     0    0.020   0.651     3.850   72.857   66.878
LGA    L    63_B      L    63_B     1.558     0    0.046   0.887     3.949   72.857   67.262
LGA    S    64_B      S    64_B     2.229     0    0.050   0.090     2.461   66.786   66.111
LGA    S    65_B      S    65_B     2.076     0    0.072   0.608     2.660   68.810   67.540
LGA    P    66_B      P    66_B     1.400     0    0.036   0.330     1.620   77.143   78.980
LGA    A    67_B      A    67_B     1.596     0    0.095   0.107     1.735   79.286   78.000
LGA    G    68_B      G    68_B     1.169     0    0.014   0.014     1.279   81.429   81.429
LGA    Y    69_B      Y    69_B     1.380     0    0.088   0.132     1.683   77.143   83.016
LGA    V    70_B      V    70_B     1.732     0    0.049   0.087     2.921   81.786   74.558
LGA    P    71_B      P    71_B     2.342     0    0.088   0.132     3.854   70.952   61.020
LGA    V    72_B      V    72_B     2.979     0    0.651   0.535     5.215   47.619   49.660
LGA    T    73_B      T    73_B     2.620     0    0.638   1.326     3.465   59.167   58.299
LGA    N    74_B      N    74_B     7.235     0    0.446   0.385    13.023   18.571    9.464
LGA    K    75_B      K    75_B     3.017     0    0.108   1.133     4.454   52.262   51.164
LGA    P    76_B      P    76_B     1.286     0    0.106   0.335     2.106   90.714   85.782
LGA    I    77_B      I    77_B     0.602     0    0.575   0.618     3.382   80.476   78.869
LGA    Y    78_B      Y    78_B     2.616     0    0.043   0.946    14.632   61.548   23.611
LGA    N    79_B      N    79_B     2.084     0    0.141   0.929     8.468   84.167   49.167
LGA    I    80_B      I    80_B     3.413     0    0.643   0.670     7.814   53.571   31.964
LGA    S    81_B      S    81_B     4.272     0    0.140   0.645     5.622   40.357   34.841
LGA    T    82_B      T    82_B     3.612     0    0.023   0.032     4.700   46.667   43.537
LGA    G    83_B      G    83_B     3.446     0    0.209   0.209     3.446   50.000   50.000
LGA    E    84_B      E    84_B     3.324     0    0.096   0.186     5.040   53.810   45.450
LGA    A    85_B      A    85_B     3.158     0    0.087   0.091     3.513   51.905   51.524
LGA    F    86_B      F    86_B     2.134     0    0.545   1.393     7.073   63.095   44.675
LGA    D    87_B      D    87_B     1.143     0    0.041   1.231     5.267   79.286   66.488
LGA    S    88_B      S    88_B     2.080     0    0.069   0.166     3.092   61.190   62.381
LGA    A    89_B      A    89_B     3.249     0    0.433   0.442     4.505   63.333   56.952
LGA    A    90_B      A    90_B     1.638     0    0.038   0.036     2.292   77.381   76.476
LGA    A    91_B      A    91_B     1.436     0    0.078   0.087     2.488   77.381   74.857
LGA    S    92_B      S    92_B     1.562     0    0.055   0.133     2.063   77.143   74.365
LGA    V    93_B      V    93_B     1.256     0    0.120   0.161     1.838   79.286   76.531
LGA    V    94_B      V    94_B     2.331     0    0.046   1.120     3.865   64.881   60.680
LGA    K    95_B      K    95_B     3.511     0    0.013   0.228     3.697   45.000   45.556
LGA    E    96_B      E    96_B     3.961     0    0.275   0.998     5.729   36.310   33.810
LGA    D    97_B      D    97_B     4.074     0    0.160   0.638     7.104   38.690   31.369
LGA    G    98_B      G    98_B     4.872     0    0.228   0.228     4.934   31.429   31.429
LGA    Q    99_B      Q    99_B     4.155     0    0.061   1.542     6.988   34.286   31.164
LGA    Y   100_B      Y   100_B     3.180     0    0.095   0.515     6.501   51.905   37.937
LGA    Y   101_B      Y   101_B     1.245     0    0.032   0.330     1.792   79.286   80.000
LGA    I   102_B      I   102_B     0.873     0    0.043   0.098     1.168   90.476   89.345
LGA    T   103_B      T   103_B     1.239     0    0.027   0.085     1.988   81.429   77.755
LGA    N   104_B      N   104_B     1.282     1    0.012   0.724     2.815   81.429   65.179
LGA    T   105_B      T   105_B     1.859     0    0.109   0.134     2.834   72.857   67.211
LGA    A   106_B      A   106_B     0.991     0    0.023   0.025     1.313   83.690   85.048
LGA    A   107_B      A   107_B     1.427     0    0.058   0.085     2.654   77.262   73.238
LGA    L   108_B      L   108_B     1.572     0    0.081   0.190     2.949   71.310   70.119
LGA    A   109_B      A   109_B     3.707     0    0.045   0.069     4.747   40.833   41.333
LGA    A   110_B      A   110_B     6.360     0    0.623   0.611     7.130   18.452   16.762
LGA    A   111_B      A   111_B     9.106     0    0.037   0.037    11.759    7.857    6.286

# 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):    13.218         13.223                 12.833           54.008   49.822

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     78    2.19    58.810    55.247     3.409

LGA_LOCAL      RMSD:   2.188  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.867  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  13.218  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.658560 * X  +   0.736828 * Y  +   0.152919 * Z  +  35.491608
  Y_new =  -0.000269 * X  +   0.202976 * Y  +  -0.979184 * Z  + -99.204575
  Z_new =  -0.752529 * X  +  -0.644892 * Y  +  -0.133474 * Z  +  -7.962526 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.141184  0.851893 -1.774886   [DEG: -179.9766   48.8099 -101.6935 ]
ZXZ:  0.154919  1.704670 -2.279321   [DEG:    8.8762   97.6704 -130.5955 ]
 
# END of job
