
#######################################################
#                                                     #
#                        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       3.08     3.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.64     3.27
  LCS_AVERAGE:     71.66

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.79     3.34
  LCS_AVERAGE:     66.05

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     60  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V     2_H     V     2_B     99  103  123     65  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     66  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     L     4_H     L     4_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V     5_H     V     5_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     E     6_H     E     6_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S     7_H     S     7_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G     8_H     G     8_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G     9_H     G     9_B     99  103  123     25  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    10_H     G    10_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     L    11_H     L    11_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V    12_H     V    12_B     99  103  123     56  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    14_H     A    14_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    15_H     G    15_B     99  103  123      9   65  105  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    16_H     G    16_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    17_H     S    17_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     L    18_H     L    18_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     R    19_H     R    19_B     99  103  123     41  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     L    20_H     L    20_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    21_H     S    21_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     C    22_H     C    22_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    23_H     A    23_B     99  103  123     66  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    24_H     A    24_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    25_H     S    25_B     99  103  123     57  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    26_H     G    26_B     99  103  123     26  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     F    27_H     F    27_B     99  103  123     16  101  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     I    28_H     I    28_B     99  103  123      3    3    4    8  107  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     F    29_H     F    29_B     99  103  123      3    7  105  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     H    30_H     H    30_B     99  103  123      3   54  103  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     N    31_H     N    31_B     99  103  123      8  101  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     F    32_H     F    32_B     99  103  123     17  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     D    33_H     D    33_B     99  103  123     49  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     M    34_H     M    34_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    35_H     G    35_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     W    36_H     W    36_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     R    38_H     R    38_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    40_H     A    40_B     99  103  123     59  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     P    41_H     P    41_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    42_H     G    42_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     K    43_H     K    43_B     99  103  123     65  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     E    44_H     E    44_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     R    45_H     R    45_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     E    46_H     E    46_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     F    47_H     F    47_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V    48_H     V    48_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    49_H     A    49_B     99  103  123     51  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    50_H     A    50_B     99  103  123     66  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     I    51_H     I    51_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    52_H     S    52_B     99  103  123     60  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     D    53_H     D    53_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     N    54_H     N    54_B     99  103  123     11   96  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    55_H     G    55_B     99  103  123     63  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     R    56_H     R    56_B     99  103  123     51  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    57_H     S    57_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     T    58_H     T    58_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    61_H     A    61_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     D    62_H     D    62_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    63_H     S    63_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V    64_H     V    64_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     K    65_H     K    65_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G    66_H     G    66_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     R    67_H     R    67_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     F    68_H     F    68_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     T    69_H     T    69_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     I    70_H     I    70_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    71_H     S    71_B     99  103  123     62  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     R    72_H     R    72_B     99  103  123     46  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     D    73_H     D    73_B     99  103  123     52  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     N    74_H     N    74_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    75_H     A    75_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     K    76_H     K    76_B     99  103  123     37  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     N    77_H     N    77_B     99  103  123     62  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     T    78_H     T    78_B     99  103  123     66  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V    79_H     V    79_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     L    81_H     L    81_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     M    83_H     M    83_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     N    84_H     N    84_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S    85_H     S    85_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     L    86_H     L    86_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     K    87_H     K    87_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     P    88_H     P    88_B     99  103  123     66  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     E    89_H     E    89_B     99  103  123     66  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     D    90_H     D    90_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     T    91_H     T    91_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    92_H     A    92_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V    93_H     V    93_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     C    96_H     C    96_B     99  103  123     41  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    97_H     A    97_B     99  103  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V    98_H     V    98_B     99  103  123     35  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   16   52  105  111  111  112  113  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    6    6    7   23   34   92   99  112  114  115  117  117  117  119  119  120  122  122 
LCS_GDT     L   101_H     L   101_B      4  103  123      3    4    5   67   90  107  111  112  113  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S   102_H     S   102_B      4  103  123      3    4   24   58   80  106  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     I   103_H     I   103_B      4  103  123      3    4    6    6   16   31   38   50   61   79  115  116  117  118  119  119  120  121  122  122 
LCS_GDT     P   104_H     P   104_B      4    6  123      3    4    6    6   13   15   23   32   44   57   69   91   99  106  111  116  119  121  122  122 
LCS_GDT     D   105_H     D   105_B      4    6  123      1    4    6    6    7    7   11   15   20   28   33   43   60   71   86   93  109  120  121  122 
LCS_GDT     L   106_H     L   106_B      4    6  123      3    4    4    9   15   20   28   42   53   68   84   91  100  115  119  119  120  121  122  122 
LCS_GDT     A   107_H     A   107_B      4    6  123      3    4    4    5    6    7   11   21   28   39   51   63   73  103  111  116  120  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    4    9   16   31   38   50   68   96  115  116  117  118  119  119  120  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4    8   30   58   81  104  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4   14  123      5    7   15   17   24   30   37   91  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   14  123      3    3    5   49   83  101  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     65  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     65  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     69  102  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   14  123     28  101  106  109  109  111  111  113  114  114  116  116  117  118  119  119  120  121  122  122 
LCS_AVERAGE  LCS_A:  79.24  (  66.05   71.66  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     69    102    106    109    109    111    111    113    114    114    116    116    117    118    119    119    120    121    122    122 
GDT PERCENT_AT  56.10  82.93  86.18  88.62  88.62  90.24  90.24  91.87  92.68  92.68  94.31  94.31  95.12  95.93  96.75  96.75  97.56  98.37  99.19  99.19
GDT RMS_LOCAL    0.33   0.50   0.54   0.63   0.63   0.77   0.77   1.25   1.43   1.20   1.55   1.55   1.68   1.99   2.23   2.23   2.48   2.69   2.78   2.78
GDT RMS_ALL_AT   3.30   3.33   3.33   3.32   3.32   3.34   3.34   3.21   3.18   3.27   3.20   3.20   3.22   3.14   3.11   3.11   3.10   3.09   3.09   3.09

# Checking swapping
#   possible swapping detected:  F    29_H      F    29_B
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  E   108_H      E   108_B
#   possible swapping detected:  Y   110_H      Y   110_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.159     0    0.481   1.242     8.391   75.833   49.206
LGA    V     2_H      V     2_B     0.992     0    0.037   0.787     2.366   88.214   82.925
LGA    Q     3_H      Q     3_B     0.252     0    0.146   0.695     1.938  100.000   86.878
LGA    L     4_H      L     4_B     0.322     0    0.041   0.182     0.729  100.000   97.619
LGA    V     5_H      V     5_B     0.340     0    0.023   0.111     0.503  100.000   98.639
LGA    E     6_H      E     6_B     0.424     0    0.087   0.263     0.915   95.238   92.593
LGA    S     7_H      S     7_B     0.409     0    0.023   0.709     1.591   97.619   92.302
LGA    G     8_H      G     8_B     0.362     0    0.076   0.076     0.771   97.619   97.619
LGA    G     9_H      G     9_B     0.777     0    0.070   0.070     0.777   95.238   95.238
LGA    G    10_H      G    10_B     0.279     0    0.168   0.168     0.585   97.619   97.619
LGA    L    11_H      L    11_B     0.300     0    0.071   1.351     3.993   97.619   81.964
LGA    V    12_H      V    12_B     0.553     0    0.038   0.271     1.315   95.238   93.265
LGA    Q    13_H      Q    13_B     0.366     0    0.073   0.902     5.038   97.619   73.069
LGA    A    14_H      A    14_B     0.432     0    0.668   0.605     2.240   91.190   91.048
LGA    G    15_H      G    15_B     1.662     0    0.212   0.212     2.008   79.643   79.643
LGA    G    16_H      G    16_B     0.487     0    0.087   0.087     0.936   97.619   97.619
LGA    S    17_H      S    17_B     0.283     0    0.090   0.813     2.854  100.000   91.270
LGA    L    18_H      L    18_B     0.226     0    0.058   0.571     2.467  100.000   93.214
LGA    R    19_H      R    19_B     0.645     0    0.041   2.168     8.613   97.619   63.420
LGA    L    20_H      L    20_B     0.449     0    0.097   0.812     1.991   97.619   90.833
LGA    S    21_H      S    21_B     0.199     0    0.032   0.765     2.346  100.000   94.127
LGA    C    22_H      C    22_B     0.126     0    0.066   0.173     0.324  100.000  100.000
LGA    A    23_H      A    23_B     0.465     0    0.047   0.054     0.727  100.000   98.095
LGA    A    24_H      A    24_B     0.538     0    0.088   0.102     1.054   92.857   90.571
LGA    S    25_H      S    25_B     1.061     0    0.059   0.182     1.423   83.690   82.937
LGA    G    26_H      G    26_B     1.733     0    0.124   0.124     2.275   70.833   70.833
LGA    F    27_H      F    27_B     1.718     0    0.065   0.495     2.345   68.810   80.130
LGA    I    28_H      I    28_B     3.221     0    0.330   0.656     8.972   65.119   38.929
LGA    F    29_H      F    29_B     1.979     0    0.462   1.336     8.646   86.190   45.368
LGA    H    30_H      H    30_B     1.814     0    0.052   1.058     4.265   72.976   60.238
LGA    N    31_H      N    31_B     1.470     0    0.181   1.052     3.925   81.429   74.643
LGA    F    32_H      F    32_B     1.172     0    0.049   0.288     2.204   83.690   80.000
LGA    D    33_H      D    33_B     1.108     0    0.044   0.618     1.847   85.952   83.750
LGA    M    34_H      M    34_B     0.716     0    0.027   0.616     2.225   90.476   86.131
LGA    G    35_H      G    35_B     0.425     0    0.046   0.046     0.534   97.619   97.619
LGA    W    36_H      W    36_B     0.620     0    0.014   0.105     0.733   90.476   96.599
LGA    Y    37_H      Y    37_B     0.684     0    0.023   0.235     2.233   90.476   80.238
LGA    R    38_H      R    38_B     0.422     0    0.038   0.986     2.694  100.000   89.351
LGA    Q    39_H      Q    39_B     0.446     0    0.030   0.379     2.413   97.619   87.037
LGA    A    40_H      A    40_B     0.594     0    0.026   0.039     0.902   97.619   96.190
LGA    P    41_H      P    41_B     0.341     0    0.601   0.846     3.093   82.738   87.415
LGA    G    42_H      G    42_B     0.381     0    0.438   0.438     1.260   90.714   90.714
LGA    K    43_H      K    43_B     0.797     0    0.075   0.361     2.084   90.476   83.757
LGA    E    44_H      E    44_B     0.396     0    0.038   1.146     4.780  100.000   79.471
LGA    R    45_H      R    45_B     0.601     0    0.078   0.940     6.150   88.214   68.009
LGA    E    46_H      E    46_B     0.699     0    0.088   0.480     2.874   90.476   80.952
LGA    F    47_H      F    47_B     0.503     0    0.053   0.080     1.332   97.619   88.961
LGA    V    48_H      V    48_B     0.476     0    0.030   0.115     0.608   92.857   95.918
LGA    A    49_H      A    49_B     0.711     0    0.032   0.046     1.032   92.857   90.571
LGA    A    50_H      A    50_B     0.858     0    0.130   0.169     1.608   90.476   86.952
LGA    I    51_H      I    51_B     0.696     0    0.026   1.332     3.760   90.476   77.202
LGA    S    52_H      S    52_B     1.012     0    0.038   0.694     3.448   88.214   80.714
LGA    D    53_H      D    53_B     0.461     0    0.078   0.526     1.597   92.857   89.464
LGA    N    54_H      N    54_B     1.284     0    0.129   1.173     4.207   81.548   71.726
LGA    G    55_H      G    55_B     0.857     0    0.059   0.059     0.965   90.476   90.476
LGA    R    56_H      R    56_B     1.144     0    0.050   1.435     4.133   88.214   71.082
LGA    S    57_H      S    57_B     0.288     0    0.037   0.134     1.158   95.238   92.143
LGA    T    58_H      T    58_B     0.270     0    0.080   0.315     0.808   97.619   95.918
LGA    Y    59_H      Y    59_B     0.394     0    0.024   1.254     8.815   95.238   59.048
LGA    Y    60_H      Y    60_B     0.483     0    0.060   0.156     1.123   97.619   92.143
LGA    A    61_H      A    61_B     0.325     0    0.031   0.041     0.356  100.000  100.000
LGA    D    62_H      D    62_B     0.307     0    0.127   0.344     1.202   97.619   95.298
LGA    S    63_H      S    63_B     0.367     0    0.239   0.566     2.718   90.833   85.159
LGA    V    64_H      V    64_B     0.568     0    0.092   0.180     0.718   95.238   93.197
LGA    K    65_H      K    65_B     0.500     0    0.031   0.936     4.126   95.238   79.894
LGA    G    66_H      G    66_B     0.439     0    0.028   0.028     0.439  100.000  100.000
LGA    R    67_H      R    67_B     0.399     0    0.080   0.537     1.657   97.619   94.935
LGA    F    68_H      F    68_B     0.190     0    0.057   0.462     1.230   97.619   91.515
LGA    T    69_H      T    69_B     0.210     0    0.106   1.033     2.135  100.000   89.728
LGA    I    70_H      I    70_B     0.289     0    0.066   1.152     2.925  100.000   87.857
LGA    S    71_H      S    71_B     0.488     0    0.036   0.792     2.478   97.619   90.952
LGA    R    72_H      R    72_B     0.608     0    0.046   0.603     1.498   92.857   86.407
LGA    D    73_H      D    73_B     0.654     0    0.029   0.221     1.509   95.238   88.393
LGA    N    74_H      N    74_B     0.309     0    0.142   1.066     2.866   95.357   84.405
LGA    A    75_H      A    75_B     0.217     0    0.034   0.049     0.436  100.000  100.000
LGA    K    76_H      K    76_B     0.932     0    0.073   0.919     1.945   90.476   84.497
LGA    N    77_H      N    77_B     0.695     0    0.116   0.896     2.926   92.857   80.000
LGA    T    78_H      T    78_B     0.447     0    0.021   1.188     2.606   97.619   86.122
LGA    V    79_H      V    79_B     0.384     0    0.056   0.133     0.601  100.000   98.639
LGA    Y    80_H      Y    80_B     0.285     0    0.042   0.103     1.238  100.000   94.484
LGA    L    81_H      L    81_B     0.223     0    0.047   0.065     0.600  100.000   98.810
LGA    Q    82_H      Q    82_B     0.317     0    0.040   0.864     2.854  100.000   88.042
LGA    M    83_H      M    83_B     0.265     0    0.063   0.193     0.681  100.000   98.810
LGA    N    84_H      N    84_B     0.368     0    0.034   0.222     0.610  100.000   97.619
LGA    S    85_H      S    85_B     0.239     0    0.062   0.621     1.808  100.000   95.476
LGA    L    86_H      L    86_B     0.154     0    0.061   0.181     0.769  100.000   98.810
LGA    K    87_H      K    87_B     0.346     0    0.072   0.787     2.444  100.000   87.989
LGA    P    88_H      P    88_B     0.642     0    0.045   0.350     0.974   90.476   91.837
LGA    E    89_H      E    89_B     0.573     0    0.145   1.211     3.861   92.857   77.196
LGA    D    90_H      D    90_B     0.303     0    0.049   0.303     1.031  100.000   97.679
LGA    T    91_H      T    91_B     0.292     0    0.049   0.202     0.598  100.000   98.639
LGA    A    92_H      A    92_B     0.423     0    0.062   0.062     0.491  100.000  100.000
LGA    V    93_H      V    93_B     0.497     0    0.044   0.158     0.824  100.000   95.918
LGA    Y    94_H      Y    94_B     0.375     0    0.023   0.124     0.495  100.000  100.000
LGA    Y    95_H      Y    95_B     0.728     0    0.139   0.228     1.172   90.476   89.762
LGA    C    96_H      C    96_B     0.910     0    0.066   0.660     1.319   90.476   87.460
LGA    A    97_H      A    97_B     0.309     0    0.064   0.112     0.808   92.857   94.286
LGA    V    98_H      V    98_B     1.331     0    0.035   1.185     4.832   71.667   66.327
LGA    A    99_H      A    99_B     3.911     0    0.056   0.076     4.634   42.262   43.810
LGA    W   100_H      W   100_B     7.529     0    0.178   1.111    10.888   11.190    4.184
LGA    L   101_H      L   101_B     5.468     0    0.583   1.442     5.764   26.310   31.071
LGA    S   102_H      S   102_B     5.294     0    0.683   0.627     6.415   25.476   24.921
LGA    I   103_H      I   103_B     9.797     0    0.089   1.206    14.018    1.310    0.655
LGA    P   104_H      P   104_B    12.711     0    0.642   0.783    15.378    0.000    0.000
LGA    D   105_H      D   105_B    16.299     0    0.613   0.963    22.625    0.000    0.000
LGA    L   106_H      L   106_B    11.833     0    0.668   0.602    13.370    0.000    0.060
LGA    A   107_H      A   107_B    12.774     0    0.087   0.085    14.541    0.000    0.000
LGA    E   108_H      E   108_B    10.267     0    0.344   0.881    13.622    1.905    0.847
LGA    W   109_H      W   109_B     7.244     0    0.031   1.284    15.528    9.524    3.265
LGA    Y   110_H      Y   110_B     7.632     0    0.623   1.048    18.193   10.238    3.651
LGA    D   111_H      D   111_B     5.669     0    0.131   0.367     9.105   29.762   18.512
LGA    Y   112_H      Y   112_B     0.471     0    0.620   1.191     3.604   88.810   71.984
LGA    W   113_H      W   113_B     0.629     0    0.066   0.317     2.194   90.476   82.279
LGA    G   114_H      G   114_B     0.479     0    0.047   0.047     0.769   92.857   92.857
LGA    Q   115_H      Q   115_B     0.923     0    0.149   0.534     4.698   92.857   73.016
LGA    G   116_H      G   116_B     0.529     0    0.088   0.088     1.121   90.595   90.595
LGA    T   117_H      T   117_B     0.554     0    0.079   0.139     0.860   90.476   91.837
LGA    Q   118_H      Q   118_B     0.549     0    0.051   1.286     3.466   95.238   82.434
LGA    V   119_H      V   119_B     0.235     0    0.082   0.138     0.678   97.619   97.279
LGA    T   120_H      T   120_B     0.213     0    0.123   0.227     0.706   97.619   97.279
LGA    V   121_H      V   121_B     0.476     0    0.029   0.259     1.440   97.619   93.265
LGA    S   122_H      S   122_B     0.506     0    0.062   0.527     2.178   92.857   87.778
LGA    S   123_H      S   123_B     0.975     0    0.327   0.582     2.937   83.810   78.968

# 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):     3.083          3.020                  3.882           84.757   78.846

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    1.25    90.041    85.872     8.372

LGA_LOCAL      RMSD:   1.250  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.211  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.083  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.764311 * X  +   0.575504 * Y  +  -0.290902 * Z  +  37.095020
  Y_new =   0.395203 * X  +  -0.774514 * Y  +  -0.493905 * Z  +   8.978493
  Z_new =  -0.509552 * X  +   0.262532 * Y  +  -0.819411 * Z  + -20.676937 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.477211  0.534664  2.831535   [DEG:   27.3422   30.6340  162.2350 ]
ZXZ: -0.532280  2.531178 -1.095046   [DEG:  -30.4974  145.0258  -62.7415 ]
 
# END of job
