
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      14_A - 132_A       4.55     7.14
  LCS_AVERAGE:     94.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       1.74     7.78
  LCS_AVERAGE:     84.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      23_A - 97_A        1.00     7.86
  LCS_AVERAGE:     41.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    7   13      0    3    5    5    5    8    8    9   10   12   14   15   17   21   23   24   27   30   32   34 
LCS_GDT     S    11_A     S    11_A      6    7   13      5    5    6    6    6    8    8    9   10   11   14   15   18   21   23   24   27   30   32   34 
LCS_GDT     S    12_A     S    12_A      6    7   13      5    5    6    6    6    8    8    9   10   12   14   15   18   21   23   28   35   37   37   37 
LCS_GDT     G    13_A     G    13_A      6    7   34      5    5    6    6    6    8    8   11   20   23   26   28   30   32   33   37   42   47   51   57 
LCS_GDT     L    14_A     L    14_A      6    7  119      5    5    6    6    6    8   14   18   22   24   26   28   31   35   43   45   55   60   71   84 
LCS_GDT     V    15_A     V    15_A      6    7  119      5    5    6    6    6    8   11   16   20   23   25   28   30   32   33   37   41   47   53   62 
LCS_GDT     P    16_A     P    16_A      6    7  119      3    3    6    6    6    8   14   18   22   24   33   45   53   68   84   95  107  113  117  117 
LCS_GDT     R    17_A     R    17_A      4    5  119      3    4    4    4    5    7    8   16   20   47   53   60   76   88  104  113  115  116  117  117 
LCS_GDT     G    18_A     G    18_A      4    6  119      3    4    4    4    5    7   24   34   41   47   54   75   86  102  111  114  115  116  117  117 
LCS_GDT     S    19_A     S    19_A      4    7  119      3    4    4    5    6    9    9   13   19   42   56   75  102  112  113  114  115  116  117  117 
LCS_GDT     H    20_A     H    20_A      4  113  119      4    4    5    6   10   27   45   77  105  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     M    21_A     M    21_A     25  113  119      4    4    5    8   20   96  107  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Q    22_A     Q    22_A     46  113  119      4   42   82   97  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E    23_A     E    23_A     75  113  119     30   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E    24_A     E    24_A     75  113  119     27   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E    25_A     E    25_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     F    26_A     F    26_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     H    27_A     H    27_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     K    28_A     K    28_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    29_A     L    29_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     A    30_A     A    30_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N    31_A     N    31_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     F    32_A     F    32_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     T    33_A     T    33_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I    34_A     I    34_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N    35_A     N    35_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     H    36_A     H    36_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    37_A     L    37_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    38_A     L    38_A     75  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E    39_A     E    39_A     75  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     K    40_A     K    40_A     75  113  119     24   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I    41_A     I    41_A     75  113  119     20   71   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E    42_A     E    42_A     75  113  119     24   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    43_A     D    43_A     75  113  119     24   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Y    44_A     Y    44_A     75  113  119     24   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G    45_A     G    45_A     75  113  119     17   62   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    46_A     D    46_A     75  113  119      5    8   81   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N    47_A     N    47_A     75  113  119      5    8   83   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     V    48_A     V    48_A     75  113  119      5   24   83   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Q    49_A     Q    49_A     75  113  119      5    6   81   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I    50_A     I    50_A     75  113  119      5    6   67   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    51_A     D    51_A     75  113  119     23   75   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G    52_A     G    52_A     75  113  119     20   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     F    53_A     F    53_A     75  113  119     34   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    54_A     D    54_A     75  113  119     34   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I    55_A     I    55_A     75  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    56_A     D    56_A     75  113  119     29   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Y    57_A     Y    57_A     75  113  119     30   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G    58_A     G    58_A     75  113  119     13   63   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N    59_A     N    59_A     75  113  119      7   35   80   93  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E    60_A     E    60_A     75  113  119      7   35   82   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     V    61_A     V    61_A     75  113  119     19   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    62_A     L    62_A     75  113  119     30   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     T    63_A     T    63_A     75  113  119     34   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    64_A     L    64_A     75  113  119     34   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     K    65_A     K    65_A     75  113  119     29   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    66_A     L    66_A     75  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G    67_A     G    67_A     75  113  119     29   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     S    68_A     S    68_A     75  113  119      6   30   73   92  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    69_A     L    69_A     75  113  119      3   50   84   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G    70_A     G    70_A     75  113  119     25   74   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     T    71_A     T    71_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Y    72_A     Y    72_A     75  113  119     33   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     V    73_A     V    73_A     75  113  119     33   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L    74_A     L    74_A     75  113  119     23   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N    75_A     N    75_A     75  113  119     18   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     K    76_A     K    76_A     75  113  119     27   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Q    77_A     Q    77_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     T    78_A     T    78_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     P    79_A     P    79_A     75  113  119     27   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N    80_A     N    80_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     R    81_A     R    81_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Q    82_A     Q    82_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I    83_A     I    83_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     W    84_A     W    84_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     M    85_A     M    85_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     S    86_A     S    86_A     75  113  119     33   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     S    87_A     S    87_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     P    88_A     P    88_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     V    89_A     V    89_A     75  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     S    90_A     S    90_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G    91_A     G    91_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     P    92_A     P    92_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     S    93_A     S    93_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     R    94_A     R    94_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     F    95_A     F    95_A     75  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    96_A     D    96_A     75  113  119     23   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     W    97_A     W    97_A     75  113  119     24   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D    98_A     D    98_A     49  113  119     14   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     R    99_A     R    99_A     48  113  119      3   20   50   76   94  106  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     D   100_A     D   100_A     40  113  119      3   16   58   88  100  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     A   101_A     A   101_A      5  113  119      3    6    6    8   12   34   61  105  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N   102_A     N   102_A      7  113  119      4   14   45   85   99  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     A   103_A     A   103_A      7  113  119     23   74   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     W   104_A     W   104_A      7  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I   105_A     I   105_A      7  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Y   106_A     Y   106_A      7  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     R   107_A     R   107_A      7  113  119      6   34   70   92  103  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     R   108_A     R   108_A      7  113  119     30   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     T   109_A     T   109_A      8  113  119      5   17   51   87  101  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E   110_A     E   110_A     14  113  119      3   54   86   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     A   111_A     A   111_A     16  113  119     31   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     K   112_A     K   112_A     16  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L   113_A     L   113_A     16  113  119     27   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     H   114_A     H   114_A     16  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     K   115_A     K   115_A     16  113  119     11   76   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L   116_A     L   116_A     16  113  119     35   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L   117_A     L   117_A     16  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E   118_A     E   118_A     16  113  119     33   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E   119_A     E   119_A     16  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E   120_A     E   120_A     16  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L   121_A     L   121_A     16  113  119     32   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E   122_A     E   122_A     16  113  119     13   67   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     N   123_A     N   123_A     16  113  119      9   34   83   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L   124_A     L   124_A     16  113  119      5   28   79   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     C   125_A     C   125_A     16  113  119      5   28   55   93  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     G   126_A     G   126_A     16  113  119     10   40   78   96  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     E   127_A     E   127_A     16  113  119      4    6   44   96  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     P   128_A     P   128_A      6  113  119      4   24   44   66  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     I   129_A     I   129_A      6  113  119      4   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     Q   130_A     Q   130_A      6  113  119     37   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     L   131_A     L   131_A      6  113  119     14   79   87   98  104  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_GDT     S   132_A     S   132_A      6  113  119      4   63   87   98  103  107  109  110  111  112  112  112  113  113  113  114  115  116  117  117 
LCS_AVERAGE  LCS_A:  73.45  (  41.42   84.84   94.08 )

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     37     79     87     98    104    107    109    110    111    112    112    112    113    113    113    114    115    116    117    117 
GDT PERCENT_AT  30.08  64.23  70.73  79.67  84.55  86.99  88.62  89.43  90.24  91.06  91.06  91.06  91.87  91.87  91.87  92.68  93.50  94.31  95.12  95.12
GDT RMS_LOCAL    0.36   0.63   0.72   0.99   1.18   1.27   1.34   1.39   1.45   1.54   1.54   1.54   1.74   1.74   1.74   2.16   2.62   3.01   3.46   3.46
GDT RMS_ALL_AT   7.80   7.82   7.83   7.88   7.88   7.87   7.86   7.89   7.86   7.85   7.85   7.85   7.78   7.78   7.78   7.69   7.57   7.46   7.34   7.34

# Checking swapping
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    35.694     0    0.441   0.977    39.107    0.000    0.000
LGA    S    11_A      S    11_A    37.149     0    0.620   0.569    39.795    0.000    0.000
LGA    S    12_A      S    12_A    33.168     0    0.078   0.655    34.965    0.000    0.000
LGA    G    13_A      G    13_A    29.210     0    0.187   0.187    30.225    0.000    0.000
LGA    L    14_A      L    14_A    26.045     3    0.170   0.219    26.928    0.000    0.000
LGA    V    15_A      V    15_A    26.828     0    0.695   0.637    31.457    0.000    0.000
LGA    P    16_A      P    16_A    21.265     0    0.684   0.595    24.412    0.000    0.000
LGA    R    17_A      R    17_A    18.010     6    0.592   0.569    19.074    0.000    0.000
LGA    G    18_A      G    18_A    17.441     0    0.669   0.669    18.253    0.000    0.000
LGA    S    19_A      S    19_A    14.608     0    0.346   0.725    19.080    0.000    0.000
LGA    H    20_A      H    20_A     9.069     5    0.311   0.373    10.848    7.143    3.333
LGA    M    21_A      M    21_A     4.588     0    0.172   0.262     6.615   29.524   29.048
LGA    Q    22_A      Q    22_A     2.547     0    0.125   0.386     6.588   71.310   47.143
LGA    E    23_A      E    23_A     1.028     0    0.091   0.701     2.785   83.810   74.233
LGA    E    24_A      E    24_A     1.241     4    0.046   0.060     1.630   81.429   44.286
LGA    E    25_A      E    25_A     0.907     0    0.079   0.571     1.528   88.214   86.508
LGA    F    26_A      F    26_A     0.444     0    0.079   0.077     0.626   97.619   99.134
LGA    H    27_A      H    27_A     0.373     0    0.032   0.110     0.569   97.619   96.190
LGA    K    28_A      K    28_A     0.543     0    0.050   1.329     5.717   97.619   73.810
LGA    L    29_A      L    29_A     0.253     0    0.038   0.225     1.109  100.000   95.298
LGA    A    30_A      A    30_A     0.278     0    0.035   0.036     0.429  100.000  100.000
LGA    N    31_A      N    31_A     0.474     0    0.060   0.363     1.722   95.238   90.655
LGA    F    32_A      F    32_A     0.549     0    0.040   1.023     5.236   92.857   67.186
LGA    T    33_A      T    33_A     0.292     0    0.049   0.050     0.396  100.000  100.000
LGA    I    34_A      I    34_A     0.235     0    0.024   0.599     2.281  100.000   95.595
LGA    N    35_A      N    35_A     0.235     0    0.035   0.902     3.172  100.000   83.095
LGA    H    36_A      H    36_A     0.304     0    0.031   1.411     5.098  100.000   72.381
LGA    L    37_A      L    37_A     0.216     0    0.028   0.122     0.345  100.000  100.000
LGA    L    38_A      L    38_A     0.359     0    0.053   1.174     2.596   97.619   87.857
LGA    E    39_A      E    39_A     0.524     0    0.049   0.822     3.455   92.857   81.323
LGA    K    40_A      K    40_A     0.983     0    0.053   1.048     3.256   85.952   75.344
LGA    I    41_A      I    41_A     1.126     0    0.091   0.625     1.712   88.214   82.679
LGA    E    42_A      E    42_A     0.846     0    0.030   0.651     2.146   90.476   83.757
LGA    D    43_A      D    43_A     0.888     0    0.086   0.094     1.332   85.952   87.083
LGA    Y    44_A      Y    44_A     0.929     0    0.044   0.467     3.778   85.952   71.071
LGA    G    45_A      G    45_A     1.396     0    0.096   0.096     1.627   77.143   77.143
LGA    D    46_A      D    46_A     2.284     0    0.067   0.307     2.809   64.881   63.869
LGA    N    47_A      N    47_A     2.187     0    0.181   0.670     3.411   59.167   62.976
LGA    V    48_A      V    48_A     2.133     0    0.052   1.199     4.562   66.786   59.048
LGA    Q    49_A      Q    49_A     2.326     0    0.085   1.123     5.660   64.762   55.026
LGA    I    50_A      I    50_A     1.990     0    0.234   0.946     3.316   68.810   63.155
LGA    D    51_A      D    51_A     1.327     0    0.574   0.663     3.860   69.762   66.369
LGA    G    52_A      G    52_A     0.677     0    0.320   0.320     0.677   95.238   95.238
LGA    F    53_A      F    53_A     0.487     0    0.069   0.303     1.906   95.238   85.758
LGA    D    54_A      D    54_A     0.633     0    0.054   0.266     1.914   92.857   88.333
LGA    I    55_A      I    55_A     0.210     0    0.058   0.676     2.456   97.619   93.214
LGA    D    56_A      D    56_A     0.771     0    0.070   0.415     2.123   95.238   84.107
LGA    Y    57_A      Y    57_A     0.848     0    0.041   0.224     2.212   88.333   79.524
LGA    G    58_A      G    58_A     1.677     0    0.045   0.045     1.937   75.000   75.000
LGA    N    59_A      N    59_A     2.401     0    0.035   1.047     4.032   64.762   60.357
LGA    E    60_A      E    60_A     2.074     0    0.036   0.358     2.408   70.952   71.270
LGA    V    61_A      V    61_A     1.004     0    0.048   1.134     2.679   83.690   75.782
LGA    L    62_A      L    62_A     0.681     0    0.027   0.164     0.968   90.476   90.476
LGA    T    63_A      T    63_A     0.447     0    0.042   0.179     0.761  100.000   97.279
LGA    L    64_A      L    64_A     0.479     0    0.027   1.117     2.588   92.857   85.476
LGA    K    65_A      K    65_A     0.640     0    0.058   1.047     2.550   90.476   81.852
LGA    L    66_A      L    66_A     0.657     0    0.357   0.379     2.258   81.786   90.893
LGA    G    67_A      G    67_A     0.896     0    0.420   0.420     3.731   74.286   74.286
LGA    S    68_A      S    68_A     2.750     0    0.534   0.690     6.103   69.048   55.079
LGA    L    69_A      L    69_A     2.078     0    0.062   0.961     4.375   73.095   60.000
LGA    G    70_A      G    70_A     1.182     0    0.024   0.024     1.656   79.286   79.286
LGA    T    71_A      T    71_A     0.617     0    0.030   0.079     0.746   90.476   90.476
LGA    Y    72_A      Y    72_A     0.640     0    0.036   0.121     0.995   90.476   91.270
LGA    V    73_A      V    73_A     0.785     0    0.028   0.050     1.045   90.476   89.184
LGA    L    74_A      L    74_A     1.019     0    0.046   0.149     1.227   83.690   84.821
LGA    N    75_A      N    75_A     0.853     0    0.043   1.309     3.233   90.476   78.988
LGA    K    76_A      K    76_A     0.812     0    0.046   0.182     0.915   90.476   90.476
LGA    Q    77_A      Q    77_A     0.798     0    0.043   1.117     2.785   90.476   83.810
LGA    T    78_A      T    78_A     0.929     0    0.020   0.058     1.048   88.214   89.184
LGA    P    79_A      P    79_A     1.157     0    0.037   0.071     1.381   81.429   81.429
LGA    N    80_A      N    80_A     0.916     0    0.126   1.005     2.832   90.476   81.845
LGA    R    81_A      R    81_A     0.807     0    0.042   1.152     5.684   92.857   68.312
LGA    Q    82_A      Q    82_A     0.307     0    0.075   0.227     1.424   97.619   94.762
LGA    I    83_A      I    83_A     0.305     0    0.043   0.568     1.779  100.000   95.417
LGA    W    84_A      W    84_A     0.218     0    0.039   0.064     1.127  100.000   93.299
LGA    M    85_A      M    85_A     0.384     0    0.046   0.251     1.408  100.000   92.976
LGA    S    86_A      S    86_A     0.475     0    0.039   0.050     0.758   92.857   92.063
LGA    S    87_A      S    87_A     0.417     0    0.048   0.079     0.592  100.000   96.825
LGA    P    88_A      P    88_A     0.512     0    0.120   0.203     1.406   90.595   93.265
LGA    V    89_A      V    89_A     1.002     0    0.070   0.089     1.754   85.952   82.789
LGA    S    90_A      S    90_A     0.294     0    0.175   0.664     1.940   97.619   93.889
LGA    G    91_A      G    91_A     0.215     0    0.131   0.131     0.497  100.000  100.000
LGA    P    92_A      P    92_A     0.521     0    0.027   0.432     2.767   90.476   81.905
LGA    S    93_A      S    93_A     0.389     0    0.042   0.595     2.401  100.000   94.127
LGA    R    94_A      R    94_A     0.707     0    0.034   0.925     1.743   90.476   86.494
LGA    F    95_A      F    95_A     0.531     0    0.028   0.097     0.913   90.476   91.342
LGA    D    96_A      D    96_A     0.835     0    0.064   0.576     2.223   90.476   85.000
LGA    W    97_A      W    97_A     0.882     0    0.105   1.265    10.476   83.810   44.184
LGA    D    98_A      D    98_A     0.967     0    0.208   0.575     3.725   72.262   83.750
LGA    R    99_A      R    99_A     4.193     0    0.117   1.161    13.003   40.952   19.394
LGA    D   100_A      D   100_A     3.467     0    0.348   1.311     7.093   37.738   39.464
LGA    A   101_A      A   101_A     5.843     0    0.698   0.661     6.680   26.429   23.810
LGA    N   102_A      N   102_A     3.513     0    0.362   0.394     7.898   54.048   33.512
LGA    A   103_A      A   103_A     1.215     0    0.100   0.155     1.889   81.548   79.810
LGA    W   104_A      W   104_A     0.599     0    0.052   0.289     0.729   90.476   91.837
LGA    I   105_A      I   105_A     0.607     0    0.090   1.173     2.906   90.476   77.976
LGA    Y   106_A      Y   106_A     0.796     0    0.211   0.327     1.648   83.810   85.317
LGA    R   107_A      R   107_A     2.504     0    0.135   1.571    12.395   71.071   33.983
LGA    R   108_A      R   108_A     0.730     0    0.551   0.765     5.025   79.881   57.532
LGA    T   109_A      T   109_A     3.499     0    0.641   0.574     7.894   65.238   42.653
LGA    E   110_A      E   110_A     1.762     0    0.066   0.794     3.914   72.976   65.238
LGA    A   111_A      A   111_A     0.646     0    0.058   0.082     1.175   90.595   88.762
LGA    K   112_A      K   112_A     0.673     0    0.086   0.943     3.917   92.857   81.481
LGA    L   113_A      L   113_A     0.902     0    0.053   0.132     1.685   90.476   84.881
LGA    H   114_A      H   114_A     0.955     0    0.036   1.477     5.536   85.952   63.810
LGA    K   115_A      K   115_A     1.386     0    0.057   1.491     9.290   81.429   52.963
LGA    L   116_A      L   116_A     0.971     0    0.034   0.914     2.882   88.214   78.750
LGA    L   117_A      L   117_A     0.425     0    0.045   0.251     1.093   92.857   90.536
LGA    E   118_A      E   118_A     1.099     0    0.074   1.192     3.804   88.214   70.370
LGA    E   119_A      E   119_A     0.833     0    0.049   1.175     3.728   92.857   75.026
LGA    E   120_A      E   120_A     0.370     0    0.049   0.268     1.590   97.619   93.810
LGA    L   121_A      L   121_A     0.462     0    0.019   0.990     3.155   95.238   84.583
LGA    E   122_A      E   122_A     1.184     0    0.038   0.716     3.869   81.548   71.746
LGA    N   123_A      N   123_A     1.868     0    0.049   0.135     3.033   67.262   65.060
LGA    L   124_A      L   124_A     2.166     0    0.094   0.355     2.999   62.976   64.881
LGA    C   125_A      C   125_A     2.782     0    0.292   0.669     5.349   64.881   55.952
LGA    G   126_A      G   126_A     2.223     0    0.204   0.204     2.604   62.857   62.857
LGA    E   127_A      E   127_A     2.576     0    0.526   0.794     4.903   50.833   57.725
LGA    P   128_A      P   128_A     3.347     0    0.105   0.112     5.339   69.762   53.401
LGA    I   129_A      I   129_A     1.233     0    0.151   0.721     4.766   77.143   59.702
LGA    Q   130_A      Q   130_A     1.009     0    0.089   0.675     3.031   83.690   74.444
LGA    L   131_A      L   131_A     1.340     0    0.210   1.411     4.209   79.286   69.702
LGA    S   132_A      S   132_A     1.844     0    0.658   0.976     3.911   63.214   60.159

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     6.952          6.894                  6.962           76.159   69.437

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    110    1.39    81.504    84.301     7.376

LGA_LOCAL      RMSD:   1.391  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.886  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   6.952  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.681103 * X  +   0.663377 * Y  +   0.309886 * Z  + -36.287582
  Y_new =   0.706923 * X  +  -0.485579 * Y  +  -0.514270 * Z  + -46.177769
  Z_new =  -0.190681 * X  +   0.569336 * Y  +  -0.799686 * Z  +   3.871515 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.803998  0.191856  2.522892   [DEG:   46.0657   10.9925  144.5511 ]
ZXZ:  0.542310  2.497568 -0.323176   [DEG:   31.0721  143.1001  -18.5166 ]
 
# END of job
