
#######################################################
#                                                     #
#                        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       3.22     3.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.61     3.46
  LCS_AVERAGE:     71.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.72     3.58
  LCS_AVERAGE:     66.08

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     38  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V     2_H     V     2_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     L     4_H     L     4_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V     5_H     V     5_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     E     6_H     E     6_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S     7_H     S     7_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G     8_H     G     8_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G     9_H     G     9_B     99  103  123     10   96  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    10_H     G    10_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     L    11_H     L    11_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V    12_H     V    12_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    14_H     A    14_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    15_H     G    15_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    16_H     G    16_B     99  103  123     53  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    17_H     S    17_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     L    18_H     L    18_B     99  103  123     33  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     R    19_H     R    19_B     99  103  123     17  101  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     L    20_H     L    20_B     99  103  123     20  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    21_H     S    21_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     C    22_H     C    22_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    23_H     A    23_B     99  103  123     45  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    24_H     A    24_B     99  103  123     54  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    25_H     S    25_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    26_H     G    26_B     99  103  123     13  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     F    27_H     F    27_B     99  103  123     59  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     I    28_H     I    28_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     F    29_H     F    29_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     H    30_H     H    30_B     99  103  123     54  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     N    31_H     N    31_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     F    32_H     F    32_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     D    33_H     D    33_B     99  103  123     55  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     M    34_H     M    34_B     99  103  123     52  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    35_H     G    35_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     W    36_H     W    36_B     99  103  123     51  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     R    38_H     R    38_B     99  103  123     39  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     39  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    40_H     A    40_B     99  103  123     52  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     P    41_H     P    41_B     99  103  123     57  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    42_H     G    42_B     99  103  123     29   98  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     K    43_H     K    43_B     99  103  123     11   74  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     E    44_H     E    44_B     99  103  123     59  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     R    45_H     R    45_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     E    46_H     E    46_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     F    47_H     F    47_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V    48_H     V    48_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    49_H     A    49_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    50_H     A    50_B     99  103  123     30  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     I    51_H     I    51_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    52_H     S    52_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     D    53_H     D    53_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     N    54_H     N    54_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    55_H     G    55_B     99  103  123     42  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     R    56_H     R    56_B     99  103  123      4  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    57_H     S    57_B     99  103  123     45  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     T    58_H     T    58_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    61_H     A    61_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     D    62_H     D    62_B     99  103  123     49  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    63_H     S    63_B     99  103  123     49  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V    64_H     V    64_B     99  103  123     51  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     K    65_H     K    65_B     99  103  123     39  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G    66_H     G    66_B     99  103  123     18   74  108  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     R    67_H     R    67_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     F    68_H     F    68_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     T    69_H     T    69_B     99  103  123     53  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     I    70_H     I    70_B     99  103  123     42  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    71_H     S    71_B     99  103  123     33  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     R    72_H     R    72_B     99  103  123     52  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     D    73_H     D    73_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     N    74_H     N    74_B     99  103  123     42  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    75_H     A    75_B     99  103  123     42  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     K    76_H     K    76_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     N    77_H     N    77_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     T    78_H     T    78_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V    79_H     V    79_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     L    81_H     L    81_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     M    83_H     M    83_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     N    84_H     N    84_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S    85_H     S    85_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     L    86_H     L    86_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     K    87_H     K    87_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     P    88_H     P    88_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     E    89_H     E    89_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     D    90_H     D    90_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     T    91_H     T    91_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    92_H     A    92_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V    93_H     V    93_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     C    96_H     C    96_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    97_H     A    97_B     99  103  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V    98_H     V    98_B     99  103  123     24   97  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   13   37   84  111  112  112  114  115  116  116  117  117  118  120  120  121  121  123 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    5    8   13   32   53   94  105  114  114  116  117  117  118  118  120  121  121  123 
LCS_GDT     L   101_H     L   101_B      5  103  123      3    4    5   21   87   99  112  112  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S   102_H     S   102_B      5  103  123      9   25   49   80  107  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     I   103_H     I   103_B      5  103  123      4    4    5    5    7   37   40   56   91  110  115  115  117  117  119  120  120  121  121  123 
LCS_GDT     P   104_H     P   104_B      5    7  123      4    4    5    6    8   11   18   28   33   40   53   64   78   97  106  111  115  119  120  123 
LCS_GDT     D   105_H     D   105_B      5    7  123      4    4    5    5    8    8   12   19   28   40   48   59   73   97  106  111  115  119  120  123 
LCS_GDT     L   106_H     L   106_B      5    7  123      3    4    5    6   15   22   31   43   57   66   81   89  100  113  119  120  120  121  121  123 
LCS_GDT     A   107_H     A   107_B      5    7  123      3    4    5    6   15   25   33   45   59   68   82   89  100  113  119  120  120  121  121  123 
LCS_GDT     E   108_H     E   108_B      5    7  123      3    4    5    6   12   14   31   56   63   69   87  110  116  116  119  120  120  121  121  123 
LCS_GDT     W   109_H     W   109_B      3    7  123      3    3   30   43   75  100  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y   110_H     Y   110_B      3    7  123      3    3    3    6    8   55   85  107  114  114  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     D   111_H     D   111_B      3   13  123      3   16   30   53   86  105  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     W   113_H     W   113_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G   114_H     G   114_B     12   13  123     57  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     17   59  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     G   116_H     G   116_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     T   117_H     T   117_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V   119_H     V   119_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     T   120_H     T   120_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     V   121_H     V   121_B     12   13  123     60  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S   122_H     S   122_B     12   13  123     36  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_GDT     S   123_H     S   123_B     12   13  123     29  102  109  110  110  111  112  113  114  115  116  116  117  117  119  120  120  121  121  123 
LCS_AVERAGE  LCS_A:  79.22  (  66.08   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     60    102    109    110    110    111    112    113    114    115    116    116    117    117    119    120    120    121    121    123 
GDT PERCENT_AT  48.78  82.93  88.62  89.43  89.43  90.24  91.06  91.87  92.68  93.50  94.31  94.31  95.12  95.12  96.75  97.56  97.56  98.37  98.37 100.00
GDT RMS_LOCAL    0.36   0.53   0.62   0.64   0.64   0.73   0.89   1.16   1.15   1.31   1.49   1.49   1.62   1.62   2.57   2.60   2.60   2.68   2.68   3.22
GDT RMS_ALL_AT   3.53   3.53   3.56   3.56   3.56   3.58   3.57   3.43   3.49   3.44   3.40   3.40   3.41   3.41   3.23   3.23   3.23   3.24   3.24   3.22

# Checking swapping
#   possible swapping detected:  E     6_H      E     6_B
#   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    59_H      Y    59_B
#   possible swapping detected:  Y    60_H      Y    60_B
#   possible swapping detected:  Y    80_H      Y    80_B
#   possible swapping detected:  Y    95_H      Y    95_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     0.502     0    0.248   1.072     3.252   92.857   80.212
LGA    V     2_H      V     2_B     0.368     0    0.067   0.172     0.677  100.000   97.279
LGA    Q     3_H      Q     3_B     0.443     0    0.071   0.780     2.713  100.000   85.185
LGA    L     4_H      L     4_B     0.214     0    0.030   0.222     0.935  100.000   98.810
LGA    V     5_H      V     5_B     0.137     0    0.060   0.077     0.436  100.000  100.000
LGA    E     6_H      E     6_B     0.486     0    0.079   0.696     3.412   95.238   83.280
LGA    S     7_H      S     7_B     0.444     0    0.045   0.105     0.622   97.619   95.238
LGA    G     8_H      G     8_B     0.494     0    0.610   0.610     2.628   86.905   86.905
LGA    G     9_H      G     9_B     1.390     0    0.201   0.201     2.891   71.071   71.071
LGA    G    10_H      G    10_B     0.486     0    0.114   0.114     1.161   92.976   92.976
LGA    L    11_H      L    11_B     0.289     0    0.062   0.647     1.428  100.000   94.167
LGA    V    12_H      V    12_B     0.318     0    0.199   0.397     1.370   95.357   93.333
LGA    Q    13_H      Q    13_B     0.276     0    0.113   0.775     3.770  100.000   76.772
LGA    A    14_H      A    14_B     0.267     0    0.025   0.026     0.351  100.000  100.000
LGA    G    15_H      G    15_B     0.427     0    0.163   0.163     0.801   97.619   97.619
LGA    G    16_H      G    16_B     0.680     0    0.030   0.030     0.680   95.238   95.238
LGA    S    17_H      S    17_B     0.457     0    0.044   0.792     2.983   97.619   89.683
LGA    L    18_H      L    18_B     0.673     0    0.044   0.380     2.347   90.476   81.845
LGA    R    19_H      R    19_B     1.021     0    0.058   1.787     7.238   83.690   65.325
LGA    L    20_H      L    20_B     0.725     0    0.060   0.272     1.203   92.857   90.536
LGA    S    21_H      S    21_B     0.366     0    0.143   0.373     1.582   92.976   90.794
LGA    C    22_H      C    22_B     0.359     0    0.050   0.165     0.794   97.619   96.825
LGA    A    23_H      A    23_B     0.688     0    0.033   0.050     0.782   92.857   92.381
LGA    A    24_H      A    24_B     0.590     0    0.016   0.016     0.884   90.476   90.476
LGA    S    25_H      S    25_B     0.283     0    0.083   0.231     0.849   97.619   96.825
LGA    G    26_H      G    26_B     0.942     0    0.062   0.062     0.971   92.857   92.857
LGA    F    27_H      F    27_B     0.644     0    0.037   0.131     1.060   95.238   90.563
LGA    I    28_H      I    28_B     0.541     0    0.133   1.260     3.026   90.476   78.333
LGA    F    29_H      F    29_B     0.732     0    0.058   0.295     2.513   92.857   78.182
LGA    H    30_H      H    30_B     0.851     0    0.032   1.254     5.685   90.476   63.762
LGA    N    31_H      N    31_B     0.363     0    0.056   0.223     1.060   92.857   90.536
LGA    F    32_H      F    32_B     0.672     0    0.085   0.213     0.798   90.476   90.476
LGA    D    33_H      D    33_B     0.953     0    0.061   0.538     2.002   85.952   81.607
LGA    M    34_H      M    34_B     0.765     0    0.109   1.010     3.097   90.476   79.226
LGA    G    35_H      G    35_B     0.527     0    0.024   0.024     0.662   92.857   92.857
LGA    W    36_H      W    36_B     0.858     0    0.042   0.180     1.080   90.476   90.544
LGA    Y    37_H      Y    37_B     0.778     0    0.045   0.252     2.179   90.476   81.667
LGA    R    38_H      R    38_B     0.722     0    0.067   0.579     1.513   90.476   90.606
LGA    Q    39_H      Q    39_B     0.823     0    0.094   0.377     2.104   90.476   84.656
LGA    A    40_H      A    40_B     0.760     0    0.070   0.088     0.832   90.476   90.476
LGA    P    41_H      P    41_B     0.862     0    0.092   0.386     1.738   90.476   87.959
LGA    G    42_H      G    42_B     1.610     0    0.178   0.178     1.610   75.000   75.000
LGA    K    43_H      K    43_B     1.701     0    0.072   1.003     6.326   75.000   61.799
LGA    E    44_H      E    44_B     0.885     0    0.048   1.165     4.408   88.214   75.979
LGA    R    45_H      R    45_B     0.529     0    0.090   1.199     5.535   90.476   70.303
LGA    E    46_H      E    46_B     0.630     0    0.076   0.737     2.708   90.476   80.899
LGA    F    47_H      F    47_B     0.478     0    0.052   0.124     1.269  100.000   91.472
LGA    V    48_H      V    48_B     0.425     0    0.040   0.079     0.510   97.619   98.639
LGA    A    49_H      A    49_B     0.446     0    0.030   0.041     0.758   97.619   96.190
LGA    A    50_H      A    50_B     0.844     0    0.099   0.137     1.442   90.476   88.667
LGA    I    51_H      I    51_B     0.244     0    0.067   0.436     1.050   92.976   94.107
LGA    S    52_H      S    52_B     0.632     0    0.088   0.076     0.722   95.238   93.651
LGA    D    53_H      D    53_B     0.407     0    0.073   0.233     0.881   95.238   95.238
LGA    N    54_H      N    54_B     0.673     0    0.367   1.086     5.594   86.429   68.571
LGA    G    55_H      G    55_B     0.723     0    0.042   0.042     0.994   90.476   90.476
LGA    R    56_H      R    56_B     1.426     0    0.023   1.124     4.920   83.690   61.558
LGA    S    57_H      S    57_B     0.587     0    0.082   0.558     1.569   95.238   90.714
LGA    T    58_H      T    58_B     0.368     0    0.075   0.267     0.559  100.000   98.639
LGA    Y    59_H      Y    59_B     0.647     0    0.025   1.308     9.899   92.857   52.421
LGA    Y    60_H      Y    60_B     0.573     0    0.033   0.064     0.698   90.476   93.651
LGA    A    61_H      A    61_B     0.595     0    0.047   0.049     0.633   90.476   90.476
LGA    D    62_H      D    62_B     0.798     0    0.052   0.857     2.555   90.476   80.893
LGA    S    63_H      S    63_B     0.815     0    0.112   0.565     2.447   90.476   86.190
LGA    V    64_H      V    64_B     0.766     0    0.037   0.086     0.847   90.476   91.837
LGA    K    65_H      K    65_B     0.999     0    0.673   1.060     7.155   78.095   62.222
LGA    G    66_H      G    66_B     1.857     0    0.234   0.234     2.497   70.833   70.833
LGA    R    67_H      R    67_B     0.753     0    0.064   1.308     3.451   92.857   82.857
LGA    F    68_H      F    68_B     0.078     0    0.094   0.256     0.990   97.619   94.805
LGA    T    69_H      T    69_B     0.401     0    0.064   0.083     0.550  100.000   98.639
LGA    I    70_H      I    70_B     0.677     0    0.077   0.216     0.763   92.857   91.667
LGA    S    71_H      S    71_B     0.711     0    0.050   0.220     0.954   90.476   90.476
LGA    R    72_H      R    72_B     0.480     0    0.047   1.092     2.323   97.619   84.589
LGA    D    73_H      D    73_B     0.328     0    0.065   0.232     0.864   97.619   96.429
LGA    N    74_H      N    74_B     0.860     0    0.027   1.065     2.662   88.214   79.702
LGA    A    75_H      A    75_B     0.914     0    0.140   0.150     1.327   88.214   88.667
LGA    K    76_H      K    76_B     0.403     0    0.040   0.179     0.882  100.000   96.825
LGA    N    77_H      N    77_B     0.066     0    0.083   0.545     1.608  100.000   95.417
LGA    T    78_H      T    78_B     0.255     0    0.039   0.998     2.214  100.000   89.932
LGA    V    79_H      V    79_B     0.352     0    0.028   0.049     0.725  100.000   97.279
LGA    Y    80_H      Y    80_B     0.121     0    0.021   0.216     0.562  100.000   98.413
LGA    L    81_H      L    81_B     0.135     0    0.069   0.086     0.592  100.000   98.810
LGA    Q    82_H      Q    82_B     0.515     0    0.020   0.932     3.438   97.619   83.333
LGA    M    83_H      M    83_B     0.607     0    0.037   0.724     1.486   90.476   87.083
LGA    N    84_H      N    84_B     0.558     0    0.033   0.221     0.747   95.238   94.048
LGA    S    85_H      S    85_B     0.337     0    0.041   0.641     2.022  100.000   94.127
LGA    L    86_H      L    86_B     0.358     0    0.115   0.362     1.262  100.000   96.488
LGA    K    87_H      K    87_B     0.388     0    0.030   1.167     4.940  100.000   80.847
LGA    P    88_H      P    88_B     0.571     0    0.120   0.374     1.166   95.238   91.905
LGA    E    89_H      E    89_B     0.400     0    0.086   0.630     3.180   97.619   87.354
LGA    D    90_H      D    90_B     0.444     0    0.055   0.417     1.174   97.619   95.298
LGA    T    91_H      T    91_B     0.471     0    0.021   0.164     0.791  100.000   97.279
LGA    A    92_H      A    92_B     0.519     0    0.031   0.040     0.541   92.857   92.381
LGA    V    93_H      V    93_B     0.545     0    0.036   0.118     0.657   90.476   90.476
LGA    Y    94_H      Y    94_B     0.405     0    0.021   0.154     0.604   95.238   98.413
LGA    Y    95_H      Y    95_B     0.655     0    0.068   0.188     1.344   90.476   88.214
LGA    C    96_H      C    96_B     0.763     0    0.106   0.165     1.116   88.214   88.968
LGA    A    97_H      A    97_B     0.190     0    0.127   0.184     0.617   95.238   96.190
LGA    V    98_H      V    98_B     1.600     0    0.054   0.065     3.592   63.690   59.864
LGA    A    99_H      A    99_B     4.023     0    0.105   0.105     4.526   42.262   42.476
LGA    W   100_H      W   100_B     7.322     0    0.594   1.564    15.955   21.429    6.156
LGA    L   101_H      L   101_B     5.480     0    0.198   1.181     7.621   28.452   22.440
LGA    S   102_H      S   102_B     4.374     0    0.653   0.802     6.235   28.690   30.556
LGA    I   103_H      I   103_B    10.333     0    0.220   0.265    12.814    1.190    0.595
LGA    P   104_H      P   104_B    15.128     0    0.413   0.645    17.885    0.000    0.000
LGA    D   105_H      D   105_B    16.468     0    0.598   0.888    20.211    0.000    0.000
LGA    L   106_H      L   106_B    12.671     0    0.056   0.086    14.622    0.000    0.000
LGA    A   107_H      A   107_B    13.718     0    0.083   0.080    15.493    0.000    0.000
LGA    E   108_H      E   108_B    13.283     0    0.118   0.257    19.898    0.000    0.000
LGA    W   109_H      W   109_B     6.747     0    0.421   1.044    16.405   11.667    4.694
LGA    Y   110_H      Y   110_B     7.950     0    0.646   1.088    18.130    9.405    3.254
LGA    D   111_H      D   111_B     5.820     0    0.090   0.550     9.615   28.810   17.381
LGA    Y   112_H      Y   112_B     0.225     0    0.582   1.175     3.247   91.190   70.516
LGA    W   113_H      W   113_B     0.428     0    0.046   0.242     1.271   95.238   89.898
LGA    G   114_H      G   114_B     0.634     0    0.058   0.058     1.100   90.595   90.595
LGA    Q   115_H      Q   115_B     1.808     0    0.630   1.342     5.807   64.048   55.767
LGA    G   116_H      G   116_B     0.233     0    0.023   0.023     0.922   95.238   95.238
LGA    T   117_H      T   117_B     0.465     0    0.168   1.005     2.157   97.619   88.367
LGA    Q   118_H      Q   118_B     0.573     0    0.093   1.071     2.720   95.238   83.175
LGA    V   119_H      V   119_B     0.120     0    0.058   0.164     0.772   97.619   97.279
LGA    T   120_H      T   120_B     0.466     0    0.130   0.280     1.261   97.619   94.626
LGA    V   121_H      V   121_B     0.491     0    0.098   0.290     1.085   92.857   90.544
LGA    S   122_H      S   122_B     0.911     0    0.024   0.733     3.523   92.857   82.698
LGA    S   123_H      S   123_B     1.120     0    0.329   0.682     3.994   79.286   72.222

# 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):     3.216          3.148                  4.109           84.175   78.966

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    1.16    90.447    86.212     8.945

LGA_LOCAL      RMSD:   1.163  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.431  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.216  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.877028 * X  +   0.014697 * Y  +   0.480214 * Z  +  34.864712
  Y_new =  -0.353651 * X  +   0.656806 * Y  +  -0.665986 * Z  + -36.596771
  Z_new =  -0.325195 * X  +  -0.753916 * Y  +  -0.570840 * Z  + -17.142693 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.758298  0.331218 -2.218868   [DEG: -158.0388   18.9774 -127.1318 ]
ZXZ:  0.624719  2.178325 -2.734363   [DEG:   35.7938  124.8088 -156.6674 ]
 
# END of job
