
#######################################################
#                                                     #
#                        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  123 (  960),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  960),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:H  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       3.07     3.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.82     3.25
  LCS_AVERAGE:     71.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.95     3.38
  LCS_AVERAGE:     66.04

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     Q     1_H     Q     1_B     99  103  123      0    5   16   88  107  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V     2_H     V     2_B     99  103  123      4   19   70  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     42  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     L     4_H     L     4_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V     5_H     V     5_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     E     6_H     E     6_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S     7_H     S     7_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G     8_H     G     8_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G     9_H     G     9_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    10_H     G    10_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     L    11_H     L    11_B     99  103  123     54  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V    12_H     V    12_B     99  103  123     47  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    14_H     A    14_B     99  103  123     72  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    15_H     G    15_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    16_H     G    16_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    17_H     S    17_B     99  103  123     47  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     L    18_H     L    18_B     99  103  123     54  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     R    19_H     R    19_B     99  103  123     35  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     L    20_H     L    20_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    21_H     S    21_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     C    22_H     C    22_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    23_H     A    23_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    24_H     A    24_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    25_H     S    25_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    26_H     G    26_B     99  103  123      3    4   40  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     F    27_H     F    27_B     99  103  123      3    4    7   68   84  101  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     I    28_H     I    28_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     F    29_H     F    29_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     H    30_H     H    30_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     N    31_H     N    31_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     F    32_H     F    32_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     D    33_H     D    33_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     M    34_H     M    34_B     99  103  123     54  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    35_H     G    35_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     W    36_H     W    36_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     R    38_H     R    38_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    40_H     A    40_B     99  103  123     33  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     P    41_H     P    41_B     99  103  123     33  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    42_H     G    42_B     99  103  123     68  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     K    43_H     K    43_B     99  103  123     48  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     E    44_H     E    44_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     R    45_H     R    45_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     E    46_H     E    46_B     99  103  123     71  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     F    47_H     F    47_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V    48_H     V    48_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    49_H     A    49_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    50_H     A    50_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     I    51_H     I    51_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    52_H     S    52_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     D    53_H     D    53_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     N    54_H     N    54_B     99  103  123      9  100  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    55_H     G    55_B     99  103  123      8  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     R    56_H     R    56_B     99  103  123      8   92  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    57_H     S    57_B     99  103  123     71  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     T    58_H     T    58_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    61_H     A    61_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     D    62_H     D    62_B     99  103  123     71  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    63_H     S    63_B     99  103  123     70  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V    64_H     V    64_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     K    65_H     K    65_B     99  103  123     71  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G    66_H     G    66_B     99  103  123     39  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     R    67_H     R    67_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     F    68_H     F    68_B     99  103  123     70  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     T    69_H     T    69_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     I    70_H     I    70_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    71_H     S    71_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     R    72_H     R    72_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     D    73_H     D    73_B     99  103  123     66  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     N    74_H     N    74_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    75_H     A    75_B     99  103  123     67  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     K    76_H     K    76_B     99  103  123     70  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     N    77_H     N    77_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     T    78_H     T    78_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V    79_H     V    79_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     L    81_H     L    81_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     M    83_H     M    83_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     N    84_H     N    84_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S    85_H     S    85_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     L    86_H     L    86_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     K    87_H     K    87_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     P    88_H     P    88_B     99  103  123     39  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     E    89_H     E    89_B     99  103  123     42  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     D    90_H     D    90_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     T    91_H     T    91_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    92_H     A    92_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V    93_H     V    93_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     C    96_H     C    96_B     99  103  123     39  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    97_H     A    97_B     99  103  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V    98_H     V    98_B     99  103  123     20   87  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   18   79  106  110  111  112  114  114  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    4    6   14   35   64   95  104  113  115  117  117  117  118  119  121  122  123  123 
LCS_GDT     L   101_H     L   101_B      4  103  123      3   31   70   93  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S   102_H     S   102_B      3  103  123      3    3    5    6   60   94  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     I   103_H     I   103_B      3  103  123      3    3    3    4    4    5    8   10   10   13   83   94  105  117  119  119  121  122  123  123 
LCS_GDT     P   104_H     P   104_B      4    7  123      3    3    5    6    8    8    8   11   18   42   62   74   96  109  115  119  120  122  123  123 
LCS_GDT     D   105_H     D   105_B      4    7  123      1    3    5    6    8   14   25   33   46   57   74   86  102  109  115  118  121  122  123  123 
LCS_GDT     L   106_H     L   106_B      4    7  123      3    4    4    6   13   23   29   44   55   72   85   94  103  116  119  119  121  122  123  123 
LCS_GDT     A   107_H     A   107_B      4    7  123      3    4    5    6    8    8    9   14   20   30   48   61   75  105  115  118  121  122  123  123 
LCS_GDT     E   108_H     E   108_B      4    7  123      3    4    4   11   17   29   41   56   83  103  115  116  117  117  119  119  121  122  123  123 
LCS_GDT     W   109_H     W   109_B      4    7  123      3    4    7   33   55   80  100  112  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y   110_H     Y   110_B      4    7  123      3    3    5    6    8   40   54  103  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     D   111_H     D   111_B      4   13  123      3   17   36   57   92  107  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     W   113_H     W   113_B     12   13  123     71  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G   114_H     G   114_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     G   116_H     G   116_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     T   117_H     T   117_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V   119_H     V   119_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     T   120_H     T   120_B     12   13  123     73  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     V   121_H     V   121_B     12   13  123     68  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S   122_H     S   122_B     12   13  123     68  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_GDT     S   123_H     S   123_B     12   13  123     60  103  106  108  108  110  111  113  114  115  116  117  117  117  119  119  121  122  123  123 
LCS_AVERAGE  LCS_A:  79.20  (  66.04   71.56  100.00 )

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     73    103    106    108    108    110    111    113    114    115    116    117    117    117    119    119    121    122    123    123 
GDT PERCENT_AT  59.35  83.74  86.18  87.80  87.80  89.43  90.24  91.87  92.68  93.50  94.31  95.12  95.12  95.12  96.75  96.75  98.37  99.19 100.00 100.00
GDT RMS_LOCAL    0.35   0.48   0.53   0.65   0.65   0.82   0.89   1.22   1.26   1.58   1.61   1.72   1.72   1.72   2.35   2.21   2.68   2.86   3.07   3.07
GDT RMS_ALL_AT   3.43   3.40   3.41   3.40   3.40   3.39   3.37   3.28   3.29   3.20   3.21   3.22   3.22   3.22   3.11   3.14   3.09   3.08   3.07   3.07

# Checking swapping
#   possible swapping detected:  F    27_H      F    27_B
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  Y    37_H      Y    37_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  E   108_H      E   108_B
#   possible swapping detected:  Y   112_H      Y   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     3.327     0    0.665   1.167     4.880   45.476   45.926
LGA    V     2_H      V     2_B     2.315     0    0.084   0.777     3.753   63.095   56.531
LGA    Q     3_H      Q     3_B     0.567     0    0.138   0.504     2.949   92.857   84.868
LGA    L     4_H      L     4_B     0.374     0    0.043   0.160     0.680   97.619   97.619
LGA    V     5_H      V     5_B     0.360     0    0.085   0.105     0.780   97.619   98.639
LGA    E     6_H      E     6_B     0.395     0    0.090   0.206     1.020   92.976   91.587
LGA    S     7_H      S     7_B     0.322     0    0.042   0.612     2.259   97.619   92.540
LGA    G     8_H      G     8_B     0.374     0    0.089   0.089     0.815   97.619   97.619
LGA    G     9_H      G     9_B     0.336     0    0.022   0.022     0.944   97.619   97.619
LGA    G    10_H      G    10_B     0.610     0    0.195   0.195     0.610   95.238   95.238
LGA    L    11_H      L    11_B     0.584     0    0.024   1.030     4.295   92.857   74.940
LGA    V    12_H      V    12_B     0.739     0    0.064   0.333     1.261   90.476   89.184
LGA    Q    13_H      Q    13_B     0.460     0    0.050   1.315     3.784   95.238   80.899
LGA    A    14_H      A    14_B     0.590     0    0.045   0.042     0.711   92.857   92.381
LGA    G    15_H      G    15_B     0.241     0    0.135   0.135     0.760   97.619   97.619
LGA    G    16_H      G    16_B     0.288     0    0.067   0.067     0.328  100.000  100.000
LGA    S    17_H      S    17_B     0.546     0    0.023   0.528     1.206   90.476   88.968
LGA    L    18_H      L    18_B     0.529     0    0.075   0.415     2.231   92.857   85.119
LGA    R    19_H      R    19_B     0.731     0    0.012   1.669     7.268   92.857   68.225
LGA    L    20_H      L    20_B     0.598     0    0.062   0.375     1.096   95.238   94.107
LGA    S    21_H      S    21_B     0.318     0    0.043   0.278     0.960  100.000   98.413
LGA    C    22_H      C    22_B     0.171     0    0.044   0.135     0.459  100.000  100.000
LGA    A    23_H      A    23_B     0.090     0    0.017   0.023     0.411  100.000  100.000
LGA    A    24_H      A    24_B     0.412     0    0.037   0.037     0.554  100.000   98.095
LGA    S    25_H      S    25_B     0.540     0    0.092   0.237     2.473   81.786   80.238
LGA    G    26_H      G    26_B     2.701     0    0.668   0.668     5.861   48.690   48.690
LGA    F    27_H      F    27_B     4.287     0    0.668   1.172    12.139   48.571   19.481
LGA    I    28_H      I    28_B     0.840     0    0.492   1.292     7.779   90.595   63.155
LGA    F    29_H      F    29_B     0.705     0    0.029   0.169     1.141   90.476   88.831
LGA    H    30_H      H    30_B     0.845     0    0.050   1.178     3.691   90.476   77.476
LGA    N    31_H      N    31_B     0.790     0    0.043   0.253     1.145   85.952   88.214
LGA    F    32_H      F    32_B     0.901     0    0.044   0.120     1.535   90.476   84.762
LGA    D    33_H      D    33_B     0.948     0    0.051   0.993     5.158   88.214   70.060
LGA    M    34_H      M    34_B     0.651     0    0.113   0.305     1.224   90.476   89.345
LGA    G    35_H      G    35_B     0.620     0    0.025   0.025     0.620   90.476   90.476
LGA    W    36_H      W    36_B     0.700     0    0.040   0.092     0.802   90.476   96.599
LGA    Y    37_H      Y    37_B     0.714     0    0.018   0.277     2.146   90.476   82.421
LGA    R    38_H      R    38_B     0.452     0    0.019   0.345     0.911   92.857   93.939
LGA    Q    39_H      Q    39_B     0.724     0    0.041   0.329     1.914   90.476   86.508
LGA    A    40_H      A    40_B     0.797     0    0.045   0.055     0.970   90.476   90.476
LGA    P    41_H      P    41_B     1.093     0    0.050   0.397     1.361   85.952   86.599
LGA    G    42_H      G    42_B     1.054     0    0.330   0.330     1.744   79.286   79.286
LGA    K    43_H      K    43_B     1.085     0    0.035   0.835     4.594   85.952   75.185
LGA    E    44_H      E    44_B     0.595     0    0.105   1.028     4.661   90.476   76.561
LGA    R    45_H      R    45_B     0.817     0    0.164   1.037     4.074   88.214   83.290
LGA    E    46_H      E    46_B     0.789     0    0.089   0.637     2.409   90.476   80.847
LGA    F    47_H      F    47_B     0.618     0    0.069   0.158     1.043   90.476   89.654
LGA    V    48_H      V    48_B     0.583     0    0.017   0.072     0.588   90.476   93.197
LGA    A    49_H      A    49_B     0.498     0    0.015   0.031     0.763   95.238   96.190
LGA    A    50_H      A    50_B     0.834     0    0.118   0.164     1.401   90.476   88.667
LGA    I    51_H      I    51_B     0.458     0    0.103   0.461     0.866   97.619   95.238
LGA    S    52_H      S    52_B     0.872     0    0.089   0.122     1.516   90.476   86.032
LGA    D    53_H      D    53_B     0.638     0    0.065   0.148     1.219   88.214   88.214
LGA    N    54_H      N    54_B     1.345     0    0.295   0.556     2.710   75.476   75.238
LGA    G    55_H      G    55_B     0.988     0    0.060   0.060     1.270   85.952   85.952
LGA    R    56_H      R    56_B     1.738     0    0.030   0.846     5.624   79.286   50.866
LGA    S    57_H      S    57_B     0.479     0    0.038   0.153     1.491   95.238   92.143
LGA    T    58_H      T    58_B     0.299     0    0.070   0.203     0.640  100.000   98.639
LGA    Y    59_H      Y    59_B     0.798     0    0.028   1.255     9.859   92.857   51.667
LGA    Y    60_H      Y    60_B     0.603     0    0.044   0.075     0.746   92.857   91.270
LGA    A    61_H      A    61_B     0.252     0    0.084   0.086     0.518   97.619   98.095
LGA    D    62_H      D    62_B     0.363     0    0.095   0.313     0.972   95.238   96.429
LGA    S    63_H      S    63_B     0.447     0    0.162   0.528     2.627   92.976   86.587
LGA    V    64_H      V    64_B     0.409     0    0.039   0.048     0.506  100.000   98.639
LGA    K    65_H      K    65_B     0.396     0    0.064   1.023     5.165   97.619   80.899
LGA    G    66_H      G    66_B     0.666     0    0.213   0.213     0.666   92.857   92.857
LGA    R    67_H      R    67_B     0.427     0    0.082   0.504     1.721   95.238   94.069
LGA    F    68_H      F    68_B     0.506     0    0.090   0.277     0.773   95.238   95.671
LGA    T    69_H      T    69_B     0.262     0    0.031   0.058     0.499  100.000  100.000
LGA    I    70_H      I    70_B     0.184     0    0.078   0.235     0.640  100.000   97.619
LGA    S    71_H      S    71_B     0.202     0    0.015   0.220     0.736  100.000   96.825
LGA    R    72_H      R    72_B     0.306     0    0.029   0.187     0.688   95.238   93.939
LGA    D    73_H      D    73_B     0.721     0    0.054   0.212     1.201   92.857   90.536
LGA    N    74_H      N    74_B     0.718     0    0.020   1.107     2.779   90.476   81.964
LGA    A    75_H      A    75_B     0.735     0    0.038   0.045     1.009   92.857   90.571
LGA    K    76_H      K    76_B     0.464     0    0.045   0.553     1.606   97.619   91.746
LGA    N    77_H      N    77_B     0.472     0    0.131   0.267     1.517  100.000   90.774
LGA    T    78_H      T    78_B     0.315     0    0.041   1.136     2.448  100.000   89.932
LGA    V    79_H      V    79_B     0.333     0    0.044   0.182     0.687   97.619   97.279
LGA    Y    80_H      Y    80_B     0.299     0    0.012   0.112     0.508  100.000   99.206
LGA    L    81_H      L    81_B     0.294     0    0.035   0.133     0.497  100.000  100.000
LGA    Q    82_H      Q    82_B     0.333     0    0.037   0.850     2.720  100.000   85.397
LGA    M    83_H      M    83_B     0.139     0    0.047   0.207     0.717  100.000   98.810
LGA    N    84_H      N    84_B     0.363     0    0.028   0.403     1.508  100.000   94.226
LGA    S    85_H      S    85_B     0.460     0    0.047   0.647     2.556   97.619   91.270
LGA    L    86_H      L    86_B     0.392     0    0.109   0.408     1.300  100.000   97.679
LGA    K    87_H      K    87_B     0.565     0    0.034   0.829     2.241   95.238   83.915
LGA    P    88_H      P    88_B     0.828     0    0.064   0.354     1.002   90.476   89.184
LGA    E    89_H      E    89_B     0.641     0    0.091   0.716     3.784   95.238   72.381
LGA    D    90_H      D    90_B     0.251     0    0.051   0.381     1.492  100.000   97.679
LGA    T    91_H      T    91_B     0.395     0    0.052   0.105     0.718  100.000   98.639
LGA    A    92_H      A    92_B     0.337     0    0.047   0.061     0.442  100.000  100.000
LGA    V    93_H      V    93_B     0.505     0    0.028   0.213     0.830   90.476   91.837
LGA    Y    94_H      Y    94_B     0.401     0    0.042   0.169     0.705   97.619   96.825
LGA    Y    95_H      Y    95_B     0.776     0    0.088   0.187     1.379   90.476   87.460
LGA    C    96_H      C    96_B     1.029     0    0.063   0.692     1.496   85.952   84.444
LGA    A    97_H      A    97_B     0.332     0    0.100   0.144     0.995   92.857   92.381
LGA    V    98_H      V    98_B     1.660     0    0.020   0.985     4.789   65.357   60.408
LGA    A    99_H      A    99_B     3.744     0    0.074   0.086     4.208   45.238   46.190
LGA    W   100_H      W   100_B     6.790     0    0.294   1.100     8.986   19.524    8.878
LGA    L   101_H      L   101_B     3.560     0    0.623   1.291     6.226   34.762   32.083
LGA    S   102_H      S   102_B     6.276     0    0.377   0.750     9.509   12.976   13.730
LGA    I   103_H      I   103_B    12.384     0    0.686   0.992    16.643    0.119    0.060
LGA    P   104_H      P   104_B    14.461     0    0.631   0.863    16.326    0.000    0.000
LGA    D   105_H      D   105_B    14.072     0    0.109   1.350    19.635    0.000    0.000
LGA    L   106_H      L   106_B    11.869     0    0.664   0.594    12.600    0.000    0.000
LGA    A   107_H      A   107_B    12.668     0    0.097   0.098    14.495    0.000    0.000
LGA    E   108_H      E   108_B    10.423     0    0.251   0.627    17.137    0.714    0.317
LGA    W   109_H      W   109_B     7.834     0    0.147   1.009    16.687    6.071    1.939
LGA    Y   110_H      Y   110_B     7.924     0    0.626   1.049    18.607   10.238    3.532
LGA    D   111_H      D   111_B     5.573     0    0.024   0.528     9.059   29.762   18.512
LGA    Y   112_H      Y   112_B     0.662     0    0.598   1.186     3.238   90.833   78.095
LGA    W   113_H      W   113_B     0.611     0    0.055   0.307     1.631   90.476   85.986
LGA    G   114_H      G   114_B     0.692     0    0.046   0.046     0.835   90.476   90.476
LGA    Q   115_H      Q   115_B     0.766     0    0.023   0.754     3.043   90.476   82.063
LGA    G   116_H      G   116_B     0.350     0    0.046   0.046     0.487  100.000  100.000
LGA    T   117_H      T   117_B     0.240     0    0.071   0.094     0.378  100.000  100.000
LGA    Q   118_H      Q   118_B     0.473     0    0.096   1.313     6.459  100.000   72.540
LGA    V   119_H      V   119_B     0.173     0    0.049   0.218     1.260  100.000   97.347
LGA    T   120_H      T   120_B     0.380     0    0.111   0.254     0.903   97.619   95.918
LGA    V   121_H      V   121_B     0.541     0    0.025   0.184     1.120   92.857   91.905
LGA    S   122_H      S   122_B     0.617     0    0.076   0.741     2.476   90.476   86.190
LGA    S   123_H      S   123_B     0.758     0    0.573   0.769     3.897   83.810   75.238

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     960    960  100.00               123
SUMMARY(RMSD_GDC):     3.075          3.005                  3.968           83.539   78.933

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    1.22    90.041    85.817     8.557

LGA_LOCAL      RMSD:   1.220  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.280  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.075  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.779267 * X  +   0.618984 * Y  +  -0.097991 * Z  +  31.147766
  Y_new =   0.427138 * X  +  -0.639014 * Y  +  -0.639699 * Z  +   2.083010
  Z_new =  -0.458581 * X  +   0.456641 * Y  +  -0.762354 * Z  + -16.414667 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.501405  0.476397  2.601918   [DEG:   28.7284   27.2956  149.0789 ]
ZXZ: -0.152001  2.437739 -0.787518   [DEG:   -8.7090  139.6721  -45.1214 ]
 
# END of job
