
#######################################################
#                                                     #
#                        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       3.09     3.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.72     3.25
  LCS_AVERAGE:     72.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       0.88     3.37
  LCS_AVERAGE:     69.93

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    102  104  123     66  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V     2_H     V     2_B    102  104  123     68  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    102  104  123     78  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     L     4_H     L     4_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V     5_H     V     5_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     E     6_H     E     6_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S     7_H     S     7_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G     8_H     G     8_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G     9_H     G     9_B    102  104  123     29  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    10_H     G    10_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     L    11_H     L    11_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V    12_H     V    12_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    14_H     A    14_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    15_H     G    15_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    16_H     G    16_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    17_H     S    17_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     L    18_H     L    18_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     R    19_H     R    19_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     L    20_H     L    20_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    21_H     S    21_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     C    22_H     C    22_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    23_H     A    23_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    24_H     A    24_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    25_H     S    25_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    26_H     G    26_B    102  104  123     62  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     F    27_H     F    27_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     I    28_H     I    28_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     F    29_H     F    29_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     H    30_H     H    30_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     N    31_H     N    31_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     F    32_H     F    32_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     D    33_H     D    33_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     M    34_H     M    34_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    35_H     G    35_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     W    36_H     W    36_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     R    38_H     R    38_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    102  104  123     75  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    40_H     A    40_B    102  104  123     21  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     P    41_H     P    41_B    102  104  123      7  101  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    42_H     G    42_B    102  104  123      7  103  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     K    43_H     K    43_B    102  104  123     57  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     E    44_H     E    44_B    102  104  123     64  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     R    45_H     R    45_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     E    46_H     E    46_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     F    47_H     F    47_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V    48_H     V    48_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    49_H     A    49_B    102  104  123     12  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    50_H     A    50_B    102  104  123     76  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     I    51_H     I    51_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    52_H     S    52_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     D    53_H     D    53_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     N    54_H     N    54_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    55_H     G    55_B    102  104  123     49  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     R    56_H     R    56_B    102  104  123     11  101  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    57_H     S    57_B    102  104  123     45  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     T    58_H     T    58_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    102  104  123     74  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    61_H     A    61_B    102  104  123     66  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     D    62_H     D    62_B    102  104  123     63  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    63_H     S    63_B    102  104  123     66  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V    64_H     V    64_B    102  104  123     67  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     K    65_H     K    65_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G    66_H     G    66_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     R    67_H     R    67_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     F    68_H     F    68_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     T    69_H     T    69_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     I    70_H     I    70_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    71_H     S    71_B    102  104  123     76  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     R    72_H     R    72_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     D    73_H     D    73_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     N    74_H     N    74_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    75_H     A    75_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     K    76_H     K    76_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     N    77_H     N    77_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     T    78_H     T    78_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V    79_H     V    79_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     L    81_H     L    81_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     M    83_H     M    83_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     N    84_H     N    84_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S    85_H     S    85_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     L    86_H     L    86_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     K    87_H     K    87_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     P    88_H     P    88_B    102  104  123     60  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     E    89_H     E    89_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     D    90_H     D    90_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     T    91_H     T    91_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    92_H     A    92_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V    93_H     V    93_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     C    96_H     C    96_B    102  104  123     74  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    97_H     A    97_B    102  104  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V    98_H     V    98_B    102  104  123     19  100  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     A    99_H     A    99_B    102  104  123      4    4    6   97  111  112  113  113  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     W   100_H     W   100_B    102  104  123      4    4    7   10   58  100  113  113  114  114  115  117  117  118  118  119  120  121  122  122 
LCS_GDT     L   101_H     L   101_B    102  104  123      4   18   80  110  111  112  113  113  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S   102_H     S   102_B    102  104  123      4    4   86  109  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     I   103_H     I   103_B      4  104  123      3    3    5    6    7    7    9   42  108  115  115  117  117  118  118  119  120  121  122  122 
LCS_GDT     P   104_H     P   104_B      4  104  123      3    3    5    6   14   23   25   36   50   56   65   74   78   88  118  119  120  121  122  122 
LCS_GDT     D   105_H     D   105_B      3    6  123      0    3    3    5    6    7   10   14   16   20   25   42   50   66   76   90  104  108  112  114 
LCS_GDT     L   106_H     L   106_B      3    6  123      2    3    3    5    9   10   22   29   38   54   65   74   78   88   93  104  117  121  122  122 
LCS_GDT     A   107_H     A   107_B      3    5  123      3    3    4    4    6    9   11   18   31   38   52   66   77   88   93  100  107  119  122  122 
LCS_GDT     E   108_H     E   108_B      3    5  123      3    3    4    5    9   16   28   42   50   56   67   96  111  118  118  119  120  121  122  122 
LCS_GDT     W   109_H     W   109_B      3    5  123      3    3    7   44   63   88  112  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4   14  123      3    3    4   10   14   65   99  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   14  123      3   13   35   65  102  111  112  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     33  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     74  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     81  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     65  105  109  110  111  112  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   14  123      3   19   55   89  110  111  113  114  114  116  116  117  117  118  118  119  120  121  122  122 
LCS_AVERAGE  LCS_A:  80.96  (  69.93   72.97  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     81    105    109    110    111    112    113    114    114    116    116    117    117    118    118    119    120    121    122    122 
GDT PERCENT_AT  65.85  85.37  88.62  89.43  90.24  91.06  91.87  92.68  92.68  94.31  94.31  95.12  95.12  95.93  95.93  96.75  97.56  98.37  99.19  99.19
GDT RMS_LOCAL    0.35   0.47   0.52   0.60   0.67   0.72   0.79   1.26   0.92   1.33   1.33   1.41   1.41   1.62   1.62   2.13   2.19   2.49   2.76   2.76
GDT RMS_ALL_AT   3.34   3.33   3.34   3.34   3.33   3.35   3.34   3.21   3.36   3.23   3.23   3.25   3.25   3.22   3.22   3.13   3.14   3.11   3.10   3.10

# Checking swapping
#   possible swapping detected:  F    27_H      F    27_B
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  Y    60_H      Y    60_B
#   possible swapping detected:  Y    95_H      Y    95_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     0.628     0    0.136   0.938     4.647   90.595   74.550
LGA    V     2_H      V     2_B     0.387     0    0.650   0.696     3.509   81.190   87.891
LGA    Q     3_H      Q     3_B     0.471     0    0.087   0.322     3.787   97.619   79.206
LGA    L     4_H      L     4_B     0.516     0    0.072   0.134     0.673   90.476   91.667
LGA    V     5_H      V     5_B     0.530     0    0.069   0.102     0.787   90.476   91.837
LGA    E     6_H      E     6_B     0.381     0    0.103   0.297     1.203   92.976   88.571
LGA    S     7_H      S     7_B     0.436     0    0.019   0.112     0.901   97.619   95.238
LGA    G     8_H      G     8_B     0.442     0    0.027   0.027     0.605   97.619   97.619
LGA    G     9_H      G     9_B     0.675     0    0.094   0.094     0.675   97.619   97.619
LGA    G    10_H      G    10_B     0.375     0    0.149   0.149     0.375  100.000  100.000
LGA    L    11_H      L    11_B     0.171     0    0.026   0.417     1.132  100.000   94.167
LGA    V    12_H      V    12_B     0.356     0    0.041   0.305     1.339   97.619   94.626
LGA    Q    13_H      Q    13_B     0.190     0    0.053   1.056     3.124  100.000   90.265
LGA    A    14_H      A    14_B     0.375     0    0.052   0.059     0.576  100.000   98.095
LGA    G    15_H      G    15_B     0.116     0    0.126   0.126     0.803   97.619   97.619
LGA    G    16_H      G    16_B     0.181     0    0.026   0.026     0.374  100.000  100.000
LGA    S    17_H      S    17_B     0.551     0    0.063   0.231     1.252   97.619   92.222
LGA    L    18_H      L    18_B     0.545     0    0.026   0.436     2.638   97.619   84.464
LGA    R    19_H      R    19_B     0.528     0    0.033   1.721     6.474   95.238   67.662
LGA    L    20_H      L    20_B     0.367     0    0.060   0.333     1.094  100.000   95.298
LGA    S    21_H      S    21_B     0.186     0    0.026   0.314     1.038  100.000   95.317
LGA    C    22_H      C    22_B     0.113     0    0.034   0.115     0.594  100.000   98.413
LGA    A    23_H      A    23_B     0.119     0    0.049   0.047     0.580   97.619   98.095
LGA    A    24_H      A    24_B     0.171     0    0.039   0.036     0.373  100.000  100.000
LGA    S    25_H      S    25_B     0.406     0    0.042   0.154     1.033   95.238   92.143
LGA    G    26_H      G    26_B     1.053     0    0.098   0.098     1.053   88.214   88.214
LGA    F    27_H      F    27_B     0.397     0    0.052   0.135     0.589   97.619   98.268
LGA    I    28_H      I    28_B     0.288     0    0.044   0.525     2.159  100.000   94.405
LGA    F    29_H      F    29_B     0.475     0    0.045   0.233     1.068  100.000   94.026
LGA    H    30_H      H    30_B     0.467     0    0.082   1.015     4.918   95.238   77.000
LGA    N    31_H      N    31_B     0.497     0    0.033   0.153     0.771   95.238   92.857
LGA    F    32_H      F    32_B     0.521     0    0.073   0.225     1.053   92.857   90.519
LGA    D    33_H      D    33_B     0.734     0    0.082   0.581     1.645   88.214   84.940
LGA    M    34_H      M    34_B     0.685     0    0.094   0.233     0.711   90.476   91.667
LGA    G    35_H      G    35_B     0.795     0    0.021   0.021     0.795   90.476   90.476
LGA    W    36_H      W    36_B     0.686     0    0.034   0.091     0.974   90.476   95.918
LGA    Y    37_H      Y    37_B     0.740     0    0.062   0.589     3.816   90.476   73.849
LGA    R    38_H      R    38_B     0.339     0    0.028   0.561     1.811  100.000   93.247
LGA    Q    39_H      Q    39_B     0.627     0    0.674   0.739     3.031   80.357   73.704
LGA    A    40_H      A    40_B     0.865     0    0.103   0.116     0.926   90.476   90.476
LGA    P    41_H      P    41_B     1.286     0    0.037   0.341     1.673   83.690   81.497
LGA    G    42_H      G    42_B     1.552     0    0.124   0.124     1.783   77.143   77.143
LGA    K    43_H      K    43_B     1.166     0    0.103   0.442     1.891   85.952   84.550
LGA    E    44_H      E    44_B     0.747     0    0.053   1.115     4.927   90.476   69.894
LGA    R    45_H      R    45_B     0.649     0    0.050   1.092     4.480   90.476   74.416
LGA    E    46_H      E    46_B     0.618     0    0.024   0.595     2.822   90.476   86.825
LGA    F    47_H      F    47_B     0.846     0    0.040   0.099     1.503   90.476   83.939
LGA    V    48_H      V    48_B     0.654     0    0.065   0.097     0.768   90.476   93.197
LGA    A    49_H      A    49_B     1.214     0    0.028   0.050     1.214   88.214   86.857
LGA    A    50_H      A    50_B     0.979     0    0.107   0.132     1.618   88.214   85.143
LGA    I    51_H      I    51_B     0.531     0    0.028   0.441     0.788   90.476   91.667
LGA    S    52_H      S    52_B     0.792     0    0.051   0.615     3.353   95.238   85.397
LGA    D    53_H      D    53_B     0.376     0    0.112   0.376     1.833   97.619   89.583
LGA    N    54_H      N    54_B     0.433     0    0.223   0.880     3.713   92.976   77.917
LGA    G    55_H      G    55_B     0.764     0    0.048   0.048     0.983   90.476   90.476
LGA    R    56_H      R    56_B     1.037     0    0.084   0.916     3.655   83.690   67.965
LGA    S    57_H      S    57_B     0.624     0    0.034   0.562     1.215   95.238   92.143
LGA    T    58_H      T    58_B     0.373     0    0.064   0.286     0.680  100.000   98.639
LGA    Y    59_H      Y    59_B     0.735     0    0.045   0.234     1.707   90.476   86.032
LGA    Y    60_H      Y    60_B     0.858     0    0.049   0.076     1.037   88.214   89.722
LGA    A    61_H      A    61_B     0.819     0    0.056   0.068     0.870   90.476   90.476
LGA    D    62_H      D    62_B     0.829     0    0.089   1.015     3.655   90.476   77.202
LGA    S    63_H      S    63_B     0.996     0    0.178   0.541     2.455   88.214   83.175
LGA    V    64_H      V    64_B     0.968     0    0.056   0.107     1.023   88.214   89.184
LGA    K    65_H      K    65_B     0.813     0    0.499   0.818     5.160   76.429   72.381
LGA    G    66_H      G    66_B     0.679     0    0.196   0.196     0.770   90.476   90.476
LGA    R    67_H      R    67_B     0.779     0    0.058   0.506     1.313   90.476   93.983
LGA    F    68_H      F    68_B     0.428     0    0.052   0.302     1.315   95.238   93.160
LGA    T    69_H      T    69_B     0.168     0    0.051   0.057     0.347  100.000  100.000
LGA    I    70_H      I    70_B     0.160     0    0.062   0.342     0.685   97.619   96.429
LGA    S    71_H      S    71_B     0.350     0    0.037   0.253     0.996  100.000   96.825
LGA    R    72_H      R    72_B     0.265     0    0.054   0.565     1.627  100.000   95.801
LGA    D    73_H      D    73_B     0.243     0    0.050   0.319     1.526   97.619   93.036
LGA    N    74_H      N    74_B     0.396     0    0.064   1.094     2.419   97.619   87.619
LGA    A    75_H      A    75_B     0.410     0    0.031   0.039     0.687   97.619   98.095
LGA    K    76_H      K    76_B     0.302     0    0.085   1.220     4.213  100.000   87.884
LGA    N    77_H      N    77_B     0.375     0    0.057   1.103     2.258  100.000   91.190
LGA    T    78_H      T    78_B     0.437     0    0.029   1.173     2.481  100.000   89.932
LGA    V    79_H      V    79_B     0.390     0    0.043   0.951     2.030  100.000   91.088
LGA    Y    80_H      Y    80_B     0.286     0    0.025   0.164     0.827  100.000   96.825
LGA    L    81_H      L    81_B     0.159     0    0.040   0.075     0.717  100.000   96.429
LGA    Q    82_H      Q    82_B     0.424     0    0.043   0.899     2.780  100.000   89.101
LGA    M    83_H      M    83_B     0.678     0    0.053   0.761     1.672   90.476   86.012
LGA    N    84_H      N    84_B     0.638     0    0.051   0.280     1.083   92.857   90.536
LGA    S    85_H      S    85_B     0.433     0    0.061   0.659     1.743   97.619   92.302
LGA    L    86_H      L    86_B     0.199     0    0.428   0.955     2.978   86.905   91.131
LGA    K    87_H      K    87_B     0.247     0    0.052   0.660     1.619   97.619   89.788
LGA    P    88_H      P    88_B     0.636     0    0.120   0.362     0.767   95.238   93.197
LGA    E    89_H      E    89_B     0.277     0    0.051   0.235     1.172  100.000   94.762
LGA    D    90_H      D    90_B     0.344     0    0.050   0.272     0.725   97.619   96.429
LGA    T    91_H      T    91_B     0.363     0    0.030   0.135     0.643  100.000   98.639
LGA    A    92_H      A    92_B     0.393     0    0.040   0.049     0.508   97.619   98.095
LGA    V    93_H      V    93_B     0.557     0    0.031   0.271     0.626   92.857   94.558
LGA    Y    94_H      Y    94_B     0.314     0    0.040   0.143     0.482  100.000  100.000
LGA    Y    95_H      Y    95_B     0.593     0    0.110   0.153     0.862   90.476   92.063
LGA    C    96_H      C    96_B     0.805     0    0.054   0.184     0.909   90.476   90.476
LGA    A    97_H      A    97_B     0.431     0    0.181   0.265     0.731   92.857   92.381
LGA    V    98_H      V    98_B     1.759     0    0.023   1.198     5.012   65.357   58.503
LGA    A    99_H      A    99_B     3.564     0    0.056   0.064     4.064   45.238   46.190
LGA    W   100_H      W   100_B     5.501     0    0.652   1.522     6.960   42.262   28.537
LGA    L   101_H      L   101_B     3.536     0    0.529   0.622     5.837   49.167   48.750
LGA    S   102_H      S   102_B     2.794     0    0.183   0.467     5.336   41.190   41.984
LGA    I   103_H      I   103_B     8.563     0    0.747   1.585    13.732    5.357    2.679
LGA    P   104_H      P   104_B    11.731     0    0.609   0.627    13.536    0.119    0.136
LGA    D   105_H      D   105_B    16.922     0    0.493   1.275    22.048    0.000    0.000
LGA    L   106_H      L   106_B    13.913     0    0.726   0.618    14.884    0.000    0.000
LGA    A   107_H      A   107_B    14.113     0    0.672   0.624    15.075    0.000    0.000
LGA    E   108_H      E   108_B    11.859     0    0.696   1.271    17.116    0.476    0.212
LGA    W   109_H      W   109_B     6.776     0    0.328   1.698    14.084   11.190    4.014
LGA    Y   110_H      Y   110_B     6.911     0    0.630   1.278    17.575   16.310    5.833
LGA    D   111_H      D   111_B     5.025     0    0.776   1.405     7.735   30.595   23.929
LGA    Y   112_H      Y   112_B     1.211     0    0.480   1.101     3.443   85.952   68.810
LGA    W   113_H      W   113_B     0.817     0    0.093   0.281     1.751   90.476   86.735
LGA    G   114_H      G   114_B     0.767     0    0.027   0.027     0.941   90.476   90.476
LGA    Q   115_H      Q   115_B     0.992     0    0.028   1.161     4.231   90.476   72.646
LGA    G   116_H      G   116_B     0.363     0    0.035   0.035     0.754   95.238   95.238
LGA    T   117_H      T   117_B     0.385     0    0.115   0.117     0.583   97.619   97.279
LGA    Q   118_H      Q   118_B     0.615     0    0.081   0.680     2.886   92.857   82.011
LGA    V   119_H      V   119_B     0.206     0    0.074   0.225     0.940   97.619   97.279
LGA    T   120_H      T   120_B     0.331     0    0.089   0.185     1.008   97.619   94.626
LGA    V   121_H      V   121_B     0.439     0    0.102   0.260     1.289   95.238   91.905
LGA    S   122_H      S   122_B     0.715     0    0.067   0.585     3.017   73.929   76.429
LGA    S   123_H      S   123_B     3.316     0    0.347   0.339     4.416   48.810   51.667

# 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):     3.094          3.059                  3.727           85.297   81.233

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.26    91.057    87.005     8.366

LGA_LOCAL      RMSD:   1.263  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.211  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.094  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.730371 * X  +  -0.601914 * Y  +  -0.322891 * Z  +  40.513844
  Y_new =   0.115412 * X  +  -0.574670 * Y  +   0.810207 * Z  + -30.567139
  Z_new =  -0.673230 * X  +   0.554486 * Y  +   0.489190 * Z  + -47.661221 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.984870  0.738568  0.847880   [DEG:  171.0204   42.3169   48.5799 ]
ZXZ: -2.762355  1.059636 -0.881818   [DEG: -158.2713   60.7126  -50.5245 ]
 
# END of job
