
#######################################################
#                                                     #
#                        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       4.40     8.68
  LCS_AVERAGE:     94.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       1.50     9.20
  LCS_AVERAGE:     87.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       0.97     9.33
  LCS_AVERAGE:     84.86

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    6   18      0    3    3    3    5    7    7    8    9    9   13   14   15   15   16   18   19   19   20   21 
LCS_GDT     S    11_A     S    11_A      4    7   18      3    4    4    4    8   10   11   13   13   13   14   15   15   17   17   18   19   21   22   24 
LCS_GDT     S    12_A     S    12_A      4    7   18      3    4    4    4    8   10   11   13   13   13   14   15   15   17   19   20   21   25   26   29 
LCS_GDT     G    13_A     G    13_A      5    7   18      3    4    5    6    7    9   11   13   13   13   14   15   15   17   17   18   19   23   24   28 
LCS_GDT     L    14_A     L    14_A      5    7  119      4    4    5    6    6    9   10   13   13   13   14   15   17   21   25   30   31   32   34   34 
LCS_GDT     V    15_A     V    15_A      5    7  119      4    4    5    6    8   10   16   20   27   29   30   30   32   33   37   41   48   56   66   79 
LCS_GDT     P    16_A     P    16_A      5    7  119      4    4    5    7   13   25   27   30   30   32   39   46   54   63   77   85   92  100  108  114 
LCS_GDT     R    17_A     R    17_A      5    7  119      4    4    5    6    7   25   29   30   38   51   65   79   89   96  109  115  116  116  116  116 
LCS_GDT     G    18_A     G    18_A      5  115  119      3    3    5    6   12   21   38   49   89   98  108  115  115  115  115  115  116  116  116  116 
LCS_GDT     S    19_A     S    19_A     29  115  119      3    6   26   55   94  110  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     H    20_A     H    20_A    113  115  119      4   17   54  104  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     M    21_A     M    21_A    113  115  119      8   68  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Q    22_A     Q    22_A    113  115  119     20   82  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E    23_A     E    23_A    113  115  119     38   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E    24_A     E    24_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E    25_A     E    25_A    113  115  119     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     F    26_A     F    26_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     H    27_A     H    27_A    113  115  119     15   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     K    28_A     K    28_A    113  115  119     12   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    29_A     L    29_A    113  115  119     24   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     A    30_A     A    30_A    113  115  119     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N    31_A     N    31_A    113  115  119     13   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     F    32_A     F    32_A    113  115  119     12   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     T    33_A     T    33_A    113  115  119     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I    34_A     I    34_A    113  115  119     13   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N    35_A     N    35_A    113  115  119     13   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     H    36_A     H    36_A    113  115  119     15   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    37_A     L    37_A    113  115  119     37   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    38_A     L    38_A    113  115  119     36   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E    39_A     E    39_A    113  115  119     36   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     K    40_A     K    40_A    113  115  119     19   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I    41_A     I    41_A    113  115  119     34   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E    42_A     E    42_A    113  115  119     39   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    43_A     D    43_A    113  115  119     19   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Y    44_A     Y    44_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G    45_A     G    45_A    113  115  119     17   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    46_A     D    46_A    113  115  119     39   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N    47_A     N    47_A    113  115  119     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     V    48_A     V    48_A    113  115  119      3   20  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Q    49_A     Q    49_A    113  115  119      8   33   66  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I    50_A     I    50_A    113  115  119     13   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    51_A     D    51_A    113  115  119      3   78  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G    52_A     G    52_A    113  115  119      3    5   50  103  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     F    53_A     F    53_A    113  115  119      3   17   22  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    54_A     D    54_A    113  115  119     24   80  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I    55_A     I    55_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    56_A     D    56_A    113  115  119     37   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Y    57_A     Y    57_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G    58_A     G    58_A    113  115  119     13   81  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N    59_A     N    59_A    113  115  119     18   82  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E    60_A     E    60_A    113  115  119     18   82  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     V    61_A     V    61_A    113  115  119     25   89  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    62_A     L    62_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     T    63_A     T    63_A    113  115  119     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    64_A     L    64_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     K    65_A     K    65_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    66_A     L    66_A    113  115  119     36   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G    67_A     G    67_A    113  115  119     28   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     S    68_A     S    68_A    113  115  119     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    69_A     L    69_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G    70_A     G    70_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     T    71_A     T    71_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Y    72_A     Y    72_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     V    73_A     V    73_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L    74_A     L    74_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N    75_A     N    75_A    113  115  119     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     K    76_A     K    76_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Q    77_A     Q    77_A    113  115  119     24   87  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     T    78_A     T    78_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     P    79_A     P    79_A    113  115  119      4   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N    80_A     N    80_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     R    81_A     R    81_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Q    82_A     Q    82_A    113  115  119     38   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I    83_A     I    83_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     W    84_A     W    84_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     M    85_A     M    85_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     S    86_A     S    86_A    113  115  119     20   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     S    87_A     S    87_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     P    88_A     P    88_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     V    89_A     V    89_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     S    90_A     S    90_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G    91_A     G    91_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     P    92_A     P    92_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     S    93_A     S    93_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     R    94_A     R    94_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     F    95_A     F    95_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    96_A     D    96_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     W    97_A     W    97_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D    98_A     D    98_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     R    99_A     R    99_A    113  115  119     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     D   100_A     D   100_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     A   101_A     A   101_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N   102_A     N   102_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     A   103_A     A   103_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     W   104_A     W   104_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I   105_A     I   105_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Y   106_A     Y   106_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     R   107_A     R   107_A    113  115  119     34   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     R   108_A     R   108_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     T   109_A     T   109_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E   110_A     E   110_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     A   111_A     A   111_A    113  115  119     20   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     K   112_A     K   112_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L   113_A     L   113_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     H   114_A     H   114_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     K   115_A     K   115_A    113  115  119     15   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L   116_A     L   116_A    113  115  119     18   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L   117_A     L   117_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E   118_A     E   118_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E   119_A     E   119_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E   120_A     E   120_A    113  115  119     18   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L   121_A     L   121_A    113  115  119     28   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E   122_A     E   122_A    113  115  119     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     N   123_A     N   123_A    113  115  119     10   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L   124_A     L   124_A    113  115  119     39   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     C   125_A     C   125_A    113  115  119     43   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     G   126_A     G   126_A    113  115  119     39   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     E   127_A     E   127_A    113  115  119     24   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     P   128_A     P   128_A    113  115  119      6   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     I   129_A     I   129_A    113  115  119     13   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     Q   130_A     Q   130_A    113  115  119     13   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     L   131_A     L   131_A    113  115  119     10   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_GDT     S   132_A     S   132_A    113  115  119      3    6   38   94  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  116 
LCS_AVERAGE  LCS_A:  88.91  (  84.86   87.78   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     43     91    106    110    111    113    114    114    114    114    114    115    115    115    115    115    116    116    116    116 
GDT PERCENT_AT  34.96  73.98  86.18  89.43  90.24  91.87  92.68  92.68  92.68  92.68  92.68  93.50  93.50  93.50  93.50  93.50  94.31  94.31  94.31  94.31
GDT RMS_LOCAL    0.33   0.63   0.74   0.83   0.86   0.97   1.12   1.12   1.12   1.12   1.12   1.50   1.50   1.50   1.50   1.50   2.08   2.08   2.08   2.08
GDT RMS_ALL_AT   9.39   9.38   9.37   9.36   9.36   9.33   9.27   9.27   9.27   9.27   9.27   9.20   9.20   9.20   9.20   9.20   9.08   9.08   9.08   9.08

# Checking swapping
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    51.123     0    0.246   1.423    54.400    0.000    0.000
LGA    S    11_A      S    11_A    47.632     0    0.660   0.603    48.539    0.000    0.000
LGA    S    12_A      S    12_A    41.335     0    0.038   0.574    43.251    0.000    0.000
LGA    G    13_A      G    13_A    36.633     0    0.339   0.339    38.327    0.000    0.000
LGA    L    14_A      L    14_A    31.466     3    0.180   0.217    33.360    0.000    0.000
LGA    V    15_A      V    15_A    26.480     0    0.066   0.094    29.401    0.000    0.000
LGA    P    16_A      P    16_A    20.678     0    0.021   0.314    23.632    0.000    0.000
LGA    R    17_A      R    17_A    16.317     6    0.453   0.497    17.770    0.000    0.000
LGA    G    18_A      G    18_A    10.993     0    0.266   0.266    12.499    3.690    3.690
LGA    S    19_A      S    19_A     5.807     0    0.272   0.736     7.957   21.548   17.778
LGA    H    20_A      H    20_A     3.659     5    0.209   0.252     4.090   46.905   23.095
LGA    M    21_A      M    21_A     1.565     0    0.082   0.999     2.731   72.976   71.012
LGA    Q    22_A      Q    22_A     1.116     0    0.091   1.324     5.713   85.952   68.836
LGA    E    23_A      E    23_A     0.693     0    0.027   0.123     1.332   90.476   86.455
LGA    E    24_A      E    24_A     0.506     4    0.008   0.011     0.778   92.857   52.381
LGA    E    25_A      E    25_A     0.623     0    0.042   0.677     2.636   90.476   82.857
LGA    F    26_A      F    26_A     0.448     0    0.067   0.100     0.658   95.238   98.268
LGA    H    27_A      H    27_A     1.122     0    0.040   0.062     1.445   83.690   82.333
LGA    K    28_A      K    28_A     1.533     0    0.034   0.828     4.356   79.286   66.878
LGA    L    29_A      L    29_A     1.030     0    0.012   1.377     3.622   85.952   75.893
LGA    A    30_A      A    30_A     0.676     0    0.015   0.016     0.919   90.476   90.476
LGA    N    31_A      N    31_A     1.240     0    0.048   0.220     1.428   81.429   81.429
LGA    F    32_A      F    32_A     1.261     0    0.016   1.315     6.839   81.429   54.416
LGA    T    33_A      T    33_A     0.925     0    0.029   0.061     1.039   88.214   87.891
LGA    I    34_A      I    34_A     1.035     0    0.039   0.102     1.326   83.690   82.560
LGA    N    35_A      N    35_A     1.357     0    0.023   0.857     4.758   81.429   65.417
LGA    H    36_A      H    36_A     0.996     0    0.041   0.088     1.301   88.214   85.048
LGA    L    37_A      L    37_A     0.591     0    0.026   0.053     0.709   92.857   95.238
LGA    L    38_A      L    38_A     0.563     0    0.050   0.839     2.479   90.476   86.131
LGA    E    39_A      E    39_A     0.565     0    0.006   0.629     3.361   90.476   79.259
LGA    K    40_A      K    40_A     0.831     0    0.044   0.512     1.730   90.476   86.561
LGA    I    41_A      I    41_A     0.621     0    0.121   0.188     0.896   90.476   92.857
LGA    E    42_A      E    42_A     0.561     0    0.025   0.166     1.107   90.476   90.529
LGA    D    43_A      D    43_A     0.917     0    0.012   0.122     1.398   90.476   85.952
LGA    Y    44_A      Y    44_A     0.597     0    0.019   1.349     8.325   90.476   56.508
LGA    G    45_A      G    45_A     0.793     0    0.071   0.071     0.793   90.476   90.476
LGA    D    46_A      D    46_A     0.472     0    0.097   0.100     0.557   97.619   98.810
LGA    N    47_A      N    47_A     0.709     0    0.099   0.511     1.343   88.214   87.083
LGA    V    48_A      V    48_A     1.677     0    0.189   0.429     2.814   75.000   69.524
LGA    Q    49_A      Q    49_A     2.501     0    0.190   0.861     5.342   62.857   45.556
LGA    I    50_A      I    50_A     1.109     0    0.068   0.614     2.460   79.286   78.333
LGA    D    51_A      D    51_A     1.137     0    0.019   0.854     4.072   75.119   62.976
LGA    G    52_A      G    52_A     2.582     0    0.616   0.616     4.656   54.643   54.643
LGA    F    53_A      F    53_A     2.270     0    0.432   0.320     4.243   55.952   54.935
LGA    D    54_A      D    54_A     1.265     0    0.121   0.891     3.898   81.429   68.869
LGA    I    55_A      I    55_A     0.648     0    0.122   1.363     3.099   88.214   77.917
LGA    D    56_A      D    56_A     0.536     0    0.052   0.840     3.629   97.619   78.750
LGA    Y    57_A      Y    57_A     0.251     0    0.036   0.087     1.385   95.238   90.595
LGA    G    58_A      G    58_A     1.224     0    0.116   0.116     1.334   83.690   83.690
LGA    N    59_A      N    59_A     1.046     0    0.016   0.988     2.560   81.429   76.310
LGA    E    60_A      E    60_A     1.108     0    0.030   0.297     1.268   81.429   84.444
LGA    V    61_A      V    61_A     0.848     0    0.059   1.196     2.745   90.476   80.952
LGA    L    62_A      L    62_A     0.573     0    0.025   0.076     0.655   90.476   90.476
LGA    T    63_A      T    63_A     0.543     0    0.040   0.089     0.955   97.619   94.558
LGA    L    64_A      L    64_A     0.357     0    0.038   0.060     0.458  100.000  100.000
LGA    K    65_A      K    65_A     0.550     0    0.080   1.102     5.752   92.857   73.915
LGA    L    66_A      L    66_A     0.585     0    0.078   0.186     0.838   90.476   90.476
LGA    G    67_A      G    67_A     0.842     0    0.059   0.059     0.842   92.857   92.857
LGA    S    68_A      S    68_A     0.417     0    0.070   0.623     2.956  100.000   91.270
LGA    L    69_A      L    69_A     0.300     0    0.108   0.120     0.963   97.619   98.810
LGA    G    70_A      G    70_A     0.371     0    0.049   0.049     0.371  100.000  100.000
LGA    T    71_A      T    71_A     0.288     0    0.023   0.042     0.446  100.000  100.000
LGA    Y    72_A      Y    72_A     0.463     0    0.051   0.163     1.432   95.238   89.048
LGA    V    73_A      V    73_A     0.681     0    0.033   0.030     0.873   92.857   91.837
LGA    L    74_A      L    74_A     0.509     0    0.021   0.110     0.871   95.238   94.048
LGA    N    75_A      N    75_A     0.525     0    0.045   0.845     2.743   95.238   83.393
LGA    K    76_A      K    76_A     0.358     0    0.149   0.701     1.466   95.238   89.577
LGA    Q    77_A      Q    77_A     0.862     0    0.087   1.016     4.270   92.857   74.339
LGA    T    78_A      T    78_A     0.511     0    0.042   0.053     0.889   90.476   91.837
LGA    P    79_A      P    79_A     1.214     0    0.023   0.025     1.797   85.952   81.565
LGA    N    80_A      N    80_A     0.318     0    0.155   0.145     1.253   95.238   90.595
LGA    R    81_A      R    81_A     0.066     0    0.034   1.119     2.981  100.000   87.836
LGA    Q    82_A      Q    82_A     0.461     0    0.049   0.621     1.667  100.000   89.735
LGA    I    83_A      I    83_A     0.363     0    0.035   0.040     0.469  100.000  100.000
LGA    W    84_A      W    84_A     0.321     0    0.020   1.175     8.357  100.000   51.735
LGA    M    85_A      M    85_A     0.230     0    0.082   0.971     1.767  100.000   89.702
LGA    S    86_A      S    86_A     0.831     0    0.019   0.057     1.091   92.857   90.556
LGA    S    87_A      S    87_A     0.811     0    0.022   0.572     1.147   90.476   88.968
LGA    P    88_A      P    88_A     0.450     0    0.033   0.042     0.576   97.619   95.918
LGA    V    89_A      V    89_A     0.571     0    0.023   0.095     0.813   90.476   90.476
LGA    S    90_A      S    90_A     0.516     0    0.053   0.598     2.071   90.476   87.778
LGA    G    91_A      G    91_A     0.504     0    0.075   0.075     0.542   92.857   92.857
LGA    P    92_A      P    92_A     0.647     0    0.047   0.389     2.051   90.476   85.510
LGA    S    93_A      S    93_A     0.617     0    0.031   0.631     1.953   95.238   90.714
LGA    R    94_A      R    94_A     0.360     0    0.105   0.601     3.653  100.000   82.987
LGA    F    95_A      F    95_A     0.417     0    0.068   0.122     0.736   95.238   93.074
LGA    D    96_A      D    96_A     0.401     0    0.011   0.325     1.066  100.000   96.488
LGA    W    97_A      W    97_A     0.429     0    0.026   0.063     0.531  100.000   98.639
LGA    D    98_A      D    98_A     0.435     0    0.044   0.259     0.683  100.000   97.619
LGA    R    99_A      R    99_A     0.617     0    0.032   0.216     1.195   90.476   89.654
LGA    D   100_A      D   100_A     0.560     0    0.075   0.814     3.031   90.476   83.155
LGA    A   101_A      A   101_A     0.542     0    0.019   0.023     0.644   92.857   92.381
LGA    N   102_A      N   102_A     0.265     0    0.038   1.121     2.523  100.000   91.250
LGA    A   103_A      A   103_A     0.348     0    0.061   0.090     0.431  100.000  100.000
LGA    W   104_A      W   104_A     0.439     0    0.033   0.081     0.651  100.000   96.599
LGA    I   105_A      I   105_A     0.215     0    0.053   0.106     0.800  100.000   97.619
LGA    Y   106_A      Y   106_A     0.191     0    0.030   0.105     0.453  100.000  100.000
LGA    R   107_A      R   107_A     0.753     0    0.014   0.458     1.432   95.238   88.918
LGA    R   108_A      R   108_A     0.318     0    0.033   1.188     5.437   97.619   68.312
LGA    T   109_A      T   109_A     0.613     0    0.020   0.084     1.098   92.857   90.544
LGA    E   110_A      E   110_A     0.480     0    0.008   0.316     0.943   95.238   94.709
LGA    A   111_A      A   111_A     0.686     0    0.041   0.045     0.845   90.476   90.476
LGA    K   112_A      K   112_A     0.923     0    0.023   0.080     1.304   85.952   84.444
LGA    L   113_A      L   113_A     1.059     0    0.011   0.082     1.207   81.429   83.690
LGA    H   114_A      H   114_A     1.040     0    0.041   1.048     6.385   81.429   56.905
LGA    K   115_A      K   115_A     1.140     0    0.062   0.985     6.499   81.429   63.333
LGA    L   116_A      L   116_A     1.180     0    0.056   0.122     1.682   83.690   81.488
LGA    L   117_A      L   117_A     1.068     0    0.018   0.116     1.146   81.429   84.821
LGA    E   118_A      E   118_A     1.110     0    0.058   0.145     1.427   81.429   82.434
LGA    E   119_A      E   119_A     1.011     0    0.010   1.149     4.606   83.690   71.534
LGA    E   120_A      E   120_A     1.047     0    0.034   0.423     1.738   88.214   83.492
LGA    L   121_A      L   121_A     0.740     0    0.032   0.082     0.872   90.476   90.476
LGA    E   122_A      E   122_A     0.610     0    0.022   0.824     3.523   90.476   76.720
LGA    N   123_A      N   123_A     0.857     0    0.007   0.091     1.756   92.857   86.071
LGA    L   124_A      L   124_A     0.682     0    0.042   1.132     2.838   90.476   82.976
LGA    C   125_A      C   125_A     0.684     0    0.069   0.686     3.811   92.857   82.698
LGA    G   126_A      G   126_A     0.618     0    0.073   0.073     0.757   92.857   92.857
LGA    E   127_A      E   127_A     0.928     0    0.027   0.812     2.834   88.214   83.757
LGA    P   128_A      P   128_A     0.979     0    0.111   0.144     0.987   90.476   90.476
LGA    I   129_A      I   129_A     1.096     0    0.143   1.001     3.956   83.690   75.000
LGA    Q   130_A      Q   130_A     1.037     0    0.083   0.878     2.736   85.952   77.090
LGA    L   131_A      L   131_A     1.035     0    0.394   0.385     1.235   83.690   85.952
LGA    S   132_A      S   132_A     2.973     0    0.619   0.591     4.584   63.333   53.651

# 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):     8.332          8.233                  8.049           82.309   76.555

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    1.12    87.398    89.207     9.379

LGA_LOCAL      RMSD:   1.115  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.275  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   8.332  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.399990 * X  +  -0.711665 * Y  +  -0.577530 * Z  +   1.716817
  Y_new =   0.817044 * X  +   0.562385 * Y  +  -0.127128 * Z  + -72.417732
  Z_new =   0.415267 * X  +  -0.421018 * Y  +   0.806410 * Z  +   8.547851 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.115538 -0.428236 -0.481162   [DEG:   63.9156  -24.5361  -27.5686 ]
ZXZ: -1.354129  0.632740  2.363072   [DEG:  -77.5859   36.2533  135.3940 ]
 
# END of job
