
#######################################################
#                                                     #
#                        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:   121      12_A - 132_A       4.87     6.21
  LCS_AVERAGE:     97.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       1.60     6.86
  LCS_AVERAGE:     87.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   112      21_A - 132_A       0.98     7.04
  LCS_AVERAGE:     83.56

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      4    4   17      3    3    4    4    6    6    8   11   11   15   15   15   16   20   20   26   30   31   33   38 
LCS_GDT     S    11_A     S    11_A      4    4   17      3    3    4    4    5    7    9   12   13   16   19   22   25   27   32   35   39   42   46   52 
LCS_GDT     S    12_A     S    12_A      4    8  121      3    3    4    5    8    9   10   12   13   16   20   25   30   33   37   45   49   56   60   65 
LCS_GDT     G    13_A     G    13_A      5    8  121      3    4    5    6    8    9   10   12   13   16   19   23   25   28   34   38   43   51   54   59 
LCS_GDT     L    14_A     L    14_A      5    8  121      4    4    5    6    8    9    9   11   12   16   16   20   25   28   32   38   44   53   57   63 
LCS_GDT     V    15_A     V    15_A      5    8  121      4    4    5    6    8    9   15   18   23   27   34   39   47   50   59   68   81   98  108  111 
LCS_GDT     P    16_A     P    16_A      5    8  121      4    4    5    6    8    9   27   32   34   37   43   54   69   84   96  107  111  114  117  117 
LCS_GDT     R    17_A     R    17_A      5   33  121      4    4    5    6   12   27   29   33   38   53   65   80   88  106  110  115  116  116  117  117 
LCS_GDT     G    18_A     G    18_A      5  115  121      0    3    5   14   20   29   41   59   80   97  109  114  115  115  115  115  116  116  117  117 
LCS_GDT     S    19_A     S    19_A     24  115  121      3   12   25   32   69  101  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     H    20_A     H    20_A     32  115  121      3   18   41   97  110  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     M    21_A     M    21_A    112  115  121      7   59  105  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Q    22_A     Q    22_A    112  115  121     23   79  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E    23_A     E    23_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E    24_A     E    24_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E    25_A     E    25_A    112  115  121     27   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     F    26_A     F    26_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     H    27_A     H    27_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     K    28_A     K    28_A    112  115  121     12   81  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    29_A     L    29_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     A    30_A     A    30_A    112  115  121     31   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N    31_A     N    31_A    112  115  121     16   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     F    32_A     F    32_A    112  115  121     15   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     T    33_A     T    33_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I    34_A     I    34_A    112  115  121     16   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N    35_A     N    35_A    112  115  121     12   81  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     H    36_A     H    36_A    112  115  121     16   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    37_A     L    37_A    112  115  121     27   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    38_A     L    38_A    112  115  121     29   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E    39_A     E    39_A    112  115  121     23   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     K    40_A     K    40_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I    41_A     I    41_A    112  115  121     18   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E    42_A     E    42_A    112  115  121     18   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    43_A     D    43_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Y    44_A     Y    44_A    112  115  121     29   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G    45_A     G    45_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    46_A     D    46_A    112  115  121     23   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N    47_A     N    47_A    112  115  121     27   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     V    48_A     V    48_A    112  115  121      3   11  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Q    49_A     Q    49_A    112  115  121      4   21   50   89  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I    50_A     I    50_A    112  115  121     16   70  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    51_A     D    51_A    112  115  121      4   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G    52_A     G    52_A    112  115  121      5   35   66  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     F    53_A     F    53_A    112  115  121      5   55  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    54_A     D    54_A    112  115  121      5   74  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I    55_A     I    55_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    56_A     D    56_A    112  115  121     21   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Y    57_A     Y    57_A    112  115  121     32   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G    58_A     G    58_A    112  115  121     15   55  103  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N    59_A     N    59_A    112  115  121     17   55  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E    60_A     E    60_A    112  115  121     17   59  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     V    61_A     V    61_A    112  115  121     19   78  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    62_A     L    62_A    112  115  121     30   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     T    63_A     T    63_A    112  115  121     32   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    64_A     L    64_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     K    65_A     K    65_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    66_A     L    66_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G    67_A     G    67_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     S    68_A     S    68_A    112  115  121     32   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    69_A     L    69_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G    70_A     G    70_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     T    71_A     T    71_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Y    72_A     Y    72_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     V    73_A     V    73_A    112  115  121     19   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L    74_A     L    74_A    112  115  121     30   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N    75_A     N    75_A    112  115  121     29   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     K    76_A     K    76_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Q    77_A     Q    77_A    112  115  121     15   79  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     T    78_A     T    78_A    112  115  121     28   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     P    79_A     P    79_A    112  115  121      6   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N    80_A     N    80_A    112  115  121     29   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     R    81_A     R    81_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Q    82_A     Q    82_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I    83_A     I    83_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     W    84_A     W    84_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     M    85_A     M    85_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     S    86_A     S    86_A    112  115  121     14   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     S    87_A     S    87_A    112  115  121     16   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     P    88_A     P    88_A    112  115  121     17   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     V    89_A     V    89_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     S    90_A     S    90_A    112  115  121      5   79  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G    91_A     G    91_A    112  115  121     11   65  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     P    92_A     P    92_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     S    93_A     S    93_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     R    94_A     R    94_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     F    95_A     F    95_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    96_A     D    96_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     W    97_A     W    97_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D    98_A     D    98_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     R    99_A     R    99_A    112  115  121      6   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     D   100_A     D   100_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     A   101_A     A   101_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N   102_A     N   102_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     A   103_A     A   103_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     W   104_A     W   104_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I   105_A     I   105_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Y   106_A     Y   106_A    112  115  121     32   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     R   107_A     R   107_A    112  115  121     14   83  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     R   108_A     R   108_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     T   109_A     T   109_A    112  115  121     32   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E   110_A     E   110_A    112  115  121     26   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     A   111_A     A   111_A    112  115  121     29   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     K   112_A     K   112_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L   113_A     L   113_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     H   114_A     H   114_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     K   115_A     K   115_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L   116_A     L   116_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L   117_A     L   117_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E   118_A     E   118_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E   119_A     E   119_A    112  115  121     22   74  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E   120_A     E   120_A    112  115  121     19   69  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L   121_A     L   121_A    112  115  121     30   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E   122_A     E   122_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     N   123_A     N   123_A    112  115  121      6   69  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L   124_A     L   124_A    112  115  121     33   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     C   125_A     C   125_A    112  115  121     16   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     G   126_A     G   126_A    112  115  121     23   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     E   127_A     E   127_A    112  115  121     19   83  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     P   128_A     P   128_A    112  115  121      5   77  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     I   129_A     I   129_A    112  115  121      4   78  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     Q   130_A     Q   130_A    112  115  121      4   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     L   131_A     L   131_A    112  115  121     22   84  106  110  111  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_GDT     S   132_A     S   132_A    112  115  121      5   11   38   97  110  112  113  114  114  114  114  114  115  115  115  115  116  116  117  117 
LCS_AVERAGE  LCS_A:  89.50  (  83.56   87.95   97.00 )

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     33     84    106    110    111    112    113    114    114    114    114    114    115    115    115    115    116    116    117    117 
GDT PERCENT_AT  26.83  68.29  86.18  89.43  90.24  91.06  91.87  92.68  92.68  92.68  92.68  92.68  93.50  93.50  93.50  93.50  94.31  94.31  95.12  95.12
GDT RMS_LOCAL    0.35   0.67   0.84   0.90   0.94   0.98   1.05   1.20   1.20   1.20   1.20   1.20   1.60   1.60   1.60   1.60   2.10   2.10   2.59   2.59
GDT RMS_ALL_AT   6.99   7.04   7.05   7.05   7.05   7.04   7.01   6.96   6.96   6.96   6.96   6.96   6.86   6.86   6.86   6.86   6.74   6.74   6.61   6.61

# 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    35.872     0    0.601   1.168    39.577    0.000    0.000
LGA    S    11_A      S    11_A    33.859     0    0.414   0.605    34.393    0.000    0.000
LGA    S    12_A      S    12_A    28.476     0    0.645   0.579    30.193    0.000    0.000
LGA    G    13_A      G    13_A    27.562     0    0.537   0.537    28.094    0.000    0.000
LGA    L    14_A      L    14_A    26.111     3    0.056   0.062    27.817    0.000    0.000
LGA    V    15_A      V    15_A    20.025     0    0.018   0.049    22.216    0.000    0.000
LGA    P    16_A      P    16_A    18.040     0    0.059   0.083    18.377    0.000    0.000
LGA    R    17_A      R    17_A    15.396     6    0.389   0.440    16.621    0.000    0.000
LGA    G    18_A      G    18_A    11.706     0    0.577   0.577    12.282    1.071    1.071
LGA    S    19_A      S    19_A     6.095     0    0.248   0.731     8.256   17.381   14.048
LGA    H    20_A      H    20_A     4.004     5    0.304   0.371     4.358   41.905   20.476
LGA    M    21_A      M    21_A     1.517     0    0.070   1.001     2.724   72.976   72.083
LGA    Q    22_A      Q    22_A     0.853     0    0.084   0.789     3.404   88.214   75.556
LGA    E    23_A      E    23_A     0.624     0    0.038   0.196     1.225   90.476   89.471
LGA    E    24_A      E    24_A     0.677     4    0.011   0.012     0.920   92.857   51.323
LGA    E    25_A      E    25_A     0.582     0    0.060   0.112     1.046   90.476   89.471
LGA    F    26_A      F    26_A     0.337     0    0.068   0.083     0.637   95.238   95.671
LGA    H    27_A      H    27_A     1.225     0    0.043   0.069     1.614   83.690   80.619
LGA    K    28_A      K    28_A     1.594     0    0.030   0.836     4.532   79.286   65.344
LGA    L    29_A      L    29_A     1.022     0    0.009   1.383     3.409   85.952   75.774
LGA    A    30_A      A    30_A     0.749     0    0.013   0.013     0.996   90.476   90.476
LGA    N    31_A      N    31_A     1.346     0    0.039   0.214     1.498   81.429   81.429
LGA    F    32_A      F    32_A     1.315     0    0.019   1.311     6.954   81.429   53.290
LGA    T    33_A      T    33_A     0.976     0    0.027   0.064     1.095   88.214   87.891
LGA    I    34_A      I    34_A     1.140     0    0.041   0.099     1.496   81.429   81.429
LGA    N    35_A      N    35_A     1.437     0    0.044   0.075     2.004   81.429   76.131
LGA    H    36_A      H    36_A     1.106     0    0.042   0.083     1.419   85.952   84.143
LGA    L    37_A      L    37_A     0.665     0    0.023   0.059     0.778   90.476   94.048
LGA    L    38_A      L    38_A     0.544     0    0.075   0.080     0.707   90.476   95.238
LGA    E    39_A      E    39_A     0.618     0    0.011   0.640     3.467   90.476   79.259
LGA    K    40_A      K    40_A     0.905     0    0.040   0.498     1.796   90.476   85.556
LGA    I    41_A      I    41_A     0.854     0    0.111   0.152     1.031   88.214   89.345
LGA    E    42_A      E    42_A     0.827     0    0.029   0.184     0.954   90.476   91.534
LGA    D    43_A      D    43_A     0.899     0    0.007   0.130     1.300   90.476   88.214
LGA    Y    44_A      Y    44_A     0.611     0    0.021   1.352     8.334   90.476   56.508
LGA    G    45_A      G    45_A     0.836     0    0.089   0.089     0.912   90.476   90.476
LGA    D    46_A      D    46_A     0.581     0    0.061   0.162     0.648   90.476   94.048
LGA    N    47_A      N    47_A     0.775     0    0.087   0.510     1.252   88.214   87.083
LGA    V    48_A      V    48_A     1.746     0    0.193   0.448     2.843   75.000   69.524
LGA    Q    49_A      Q    49_A     2.967     0    0.183   0.862     6.054   60.952   41.323
LGA    I    50_A      I    50_A     1.461     0    0.096   0.616     2.374   75.119   76.250
LGA    D    51_A      D    51_A     1.204     0    0.598   1.022     5.152   69.762   58.810
LGA    G    52_A      G    52_A     2.302     0    0.615   0.615     3.581   61.429   61.429
LGA    F    53_A      F    53_A     1.570     0    0.156   0.348     2.955   68.929   69.221
LGA    D    54_A      D    54_A     1.311     0    0.105   0.941     4.746   85.952   67.679
LGA    I    55_A      I    55_A     0.590     0    0.097   1.140     3.186   90.476   83.155
LGA    D    56_A      D    56_A     1.050     0    0.072   0.832     3.880   92.976   74.405
LGA    Y    57_A      Y    57_A     0.405     0    0.041   0.106     2.787   95.238   80.556
LGA    G    58_A      G    58_A     1.696     0    0.134   0.134     1.696   75.000   75.000
LGA    N    59_A      N    59_A     1.370     0    0.009   0.985     2.880   81.429   77.321
LGA    E    60_A      E    60_A     1.323     0    0.032   0.213     1.376   81.429   85.503
LGA    V    61_A      V    61_A     0.965     0    0.056   1.198     2.669   88.214   78.367
LGA    L    62_A      L    62_A     0.606     0    0.046   0.097     0.706   90.476   90.476
LGA    T    63_A      T    63_A     0.375     0    0.065   0.093     0.877  100.000   95.918
LGA    L    64_A      L    64_A     0.289     0    0.043   0.079     0.601  100.000   98.810
LGA    K    65_A      K    65_A     0.600     0    0.013   1.115     5.583   92.857   74.762
LGA    L    66_A      L    66_A     0.688     0    0.020   0.114     0.833   90.476   90.476
LGA    G    67_A      G    67_A     0.606     0    0.058   0.058     0.606   92.857   92.857
LGA    S    68_A      S    68_A     0.756     0    0.077   0.076     1.474   92.857   89.048
LGA    L    69_A      L    69_A     0.447     0    0.101   0.147     0.965   95.238   96.429
LGA    G    70_A      G    70_A     0.948     0    0.052   0.052     0.948   90.476   90.476
LGA    T    71_A      T    71_A     0.562     0    0.035   0.038     0.785   95.238   93.197
LGA    Y    72_A      Y    72_A     0.499     0    0.067   0.191     1.812   95.238   84.643
LGA    V    73_A      V    73_A     0.686     0    0.044   0.040     0.886   90.476   90.476
LGA    L    74_A      L    74_A     0.538     0    0.036   0.118     0.928   95.238   94.048
LGA    N    75_A      N    75_A     0.573     0    0.055   0.904     2.522   95.238   83.214
LGA    K    76_A      K    76_A     0.289     0    0.152   0.712     1.651   92.857   87.672
LGA    Q    77_A      Q    77_A     1.064     0    0.103   1.003     4.101   88.214   69.947
LGA    T    78_A      T    78_A     0.733     0    0.043   0.058     0.965   90.476   90.476
LGA    P    79_A      P    79_A     1.096     0    0.023   0.024     1.583   85.952   82.789
LGA    N    80_A      N    80_A     0.658     0    0.172   0.162     1.642   90.476   83.810
LGA    R    81_A      R    81_A     0.531     0    0.051   1.016     2.711   95.238   87.619
LGA    Q    82_A      Q    82_A     0.525     0    0.052   0.811     2.570   90.476   85.767
LGA    I    83_A      I    83_A     0.405     0    0.018   0.045     0.512   97.619   98.810
LGA    W    84_A      W    84_A     0.391     0    0.019   1.173     8.394   97.619   51.054
LGA    M    85_A      M    85_A     0.246     0    0.061   1.188     2.469  100.000   87.798
LGA    S    86_A      S    86_A     0.936     0    0.052   0.060     1.319   92.857   89.048
LGA    S    87_A      S    87_A     0.996     0    0.044   0.741     2.417   88.214   81.746
LGA    P    88_A      P    88_A     0.993     0    0.044   0.330     1.353   90.476   87.891
LGA    V    89_A      V    89_A     0.927     0    0.389   0.413     2.941   77.738   79.320
LGA    S    90_A      S    90_A     1.129     0    0.625   0.832     3.161   75.833   77.778
LGA    G    91_A      G    91_A     1.380     0    0.200   0.200     1.611   79.286   79.286
LGA    P    92_A      P    92_A     0.231     0    0.024   0.382     1.806   97.619   92.041
LGA    S    93_A      S    93_A     0.199     0    0.050   0.643     2.468   97.619   92.540
LGA    R    94_A      R    94_A     0.382     0    0.044   0.818     2.502   97.619   81.342
LGA    F    95_A      F    95_A     0.123     0    0.041   0.142     0.627  100.000   98.268
LGA    D    96_A      D    96_A     0.270     0    0.063   0.838     2.795  100.000   85.893
LGA    W    97_A      W    97_A     0.446     0    0.119   0.219     0.763   97.619   92.517
LGA    D    98_A      D    98_A     0.377     0    0.081   0.353     1.312   95.238   94.107
LGA    R    99_A      R    99_A     0.740     0    0.010   0.137     0.979   90.476   90.476
LGA    D   100_A      D   100_A     0.556     0    0.045   0.292     1.216   90.476   89.345
LGA    A   101_A      A   101_A     0.447     0    0.021   0.021     0.546   97.619   98.095
LGA    N   102_A      N   102_A     0.279     0    0.033   1.349     4.077  100.000   80.655
LGA    A   103_A      A   103_A     0.245     0    0.074   0.106     0.368  100.000  100.000
LGA    W   104_A      W   104_A     0.369     0    0.026   0.142     0.660  100.000   96.599
LGA    I   105_A      I   105_A     0.335     0    0.081   0.134     0.974  100.000   97.619
LGA    Y   106_A      Y   106_A     0.350     0    0.065   0.127     0.845   95.238   96.825
LGA    R   107_A      R   107_A     1.324     0    0.021   1.021     8.317   85.952   55.195
LGA    R   108_A      R   108_A     0.097     0    0.025   1.190     5.659  100.000   68.745
LGA    T   109_A      T   109_A     0.315     0    0.017   0.079     0.548   97.619   95.918
LGA    E   110_A      E   110_A     0.627     0    0.013   0.252     1.455   92.857   90.529
LGA    A   111_A      A   111_A     0.613     0    0.026   0.027     0.745   90.476   90.476
LGA    K   112_A      K   112_A     0.816     0    0.017   0.085     1.333   90.476   87.460
LGA    L   113_A      L   113_A     0.933     0    0.011   0.064     1.011   88.214   88.214
LGA    H   114_A      H   114_A     0.986     0    0.043   1.072     6.478   85.952   58.714
LGA    K   115_A      K   115_A     1.077     0    0.066   0.987     6.459   81.429   63.333
LGA    L   116_A      L   116_A     1.150     0    0.048   0.122     1.754   81.429   80.357
LGA    L   117_A      L   117_A     1.112     0    0.023   0.166     1.311   81.429   83.690
LGA    E   118_A      E   118_A     1.193     0    0.050   0.149     1.575   79.286   82.487
LGA    E   119_A      E   119_A     1.267     0    0.005   1.153     4.471   81.429   70.159
LGA    E   120_A      E   120_A     1.404     0    0.034   0.306     2.304   81.429   74.868
LGA    L   121_A      L   121_A     0.885     0    0.037   0.084     1.064   88.214   89.345
LGA    E   122_A      E   122_A     0.686     0    0.023   0.829     3.693   90.476   75.873
LGA    N   123_A      N   123_A     1.152     0    0.014   0.090     2.258   85.952   78.393
LGA    L   124_A      L   124_A     0.839     0    0.056   0.128     1.591   90.476   84.881
LGA    C   125_A      C   125_A     0.792     0    0.068   0.687     3.836   88.214   79.603
LGA    G   126_A      G   126_A     0.817     0    0.067   0.067     0.966   90.476   90.476
LGA    E   127_A      E   127_A     1.066     0    0.024   0.814     2.711   81.429   80.741
LGA    P   128_A      P   128_A     1.143     0    0.109   0.143     1.215   81.429   84.014
LGA    I   129_A      I   129_A     1.141     0    0.127   0.998     3.998   83.690   75.000
LGA    Q   130_A      Q   130_A     0.981     0    0.097   0.856     2.922   88.214   78.095
LGA    L   131_A      L   131_A     0.806     0    0.523   0.500     1.116   88.214   88.214
LGA    S   132_A      S   132_A     3.033     0    0.650   0.635     4.784   61.429   51.429

# 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):     6.133          6.026                  5.950           81.042   75.233

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    1.20    85.976    88.679     8.774

LGA_LOCAL      RMSD:   1.199  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.955  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   6.133  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.475746 * X  +  -0.298570 * Y  +   0.827358 * Z  +  18.522583
  Y_new =   0.407824 * X  +   0.758534 * Y  +   0.508239 * Z  + -58.755222
  Z_new =  -0.779324 * X  +   0.579209 * Y  +  -0.239105 * Z  +  16.895695 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.432916  0.893586  1.962300   [DEG:  139.3958   51.1987  112.4315 ]
ZXZ:  2.121658  1.812241 -0.931649   [DEG:  121.5620  103.8337  -53.3795 ]
 
# END of job
