
#######################################################
#                                                     #
#                        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       3.51     3.51
  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     3.75
  LCS_AVERAGE:     71.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.75     3.87
  LCS_AVERAGE:     66.10

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     30  101  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V     2_H     V     2_B     99  103  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     L     4_H     L     4_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V     5_H     V     5_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     E     6_H     E     6_B     99  103  123     58  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S     7_H     S     7_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G     8_H     G     8_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G     9_H     G     9_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    10_H     G    10_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     L    11_H     L    11_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V    12_H     V    12_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    14_H     A    14_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    15_H     G    15_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    16_H     G    16_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    17_H     S    17_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     L    18_H     L    18_B     99  103  123     47  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     R    19_H     R    19_B     99  103  123     18  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     L    20_H     L    20_B     99  103  123     53  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    21_H     S    21_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     C    22_H     C    22_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    23_H     A    23_B     99  103  123     53  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    24_H     A    24_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    25_H     S    25_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    26_H     G    26_B     99  103  123     24  101  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     F    27_H     F    27_B     99  103  123      5   98  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     I    28_H     I    28_B     99  103  123     32  101  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     F    29_H     F    29_B     99  103  123     13  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     H    30_H     H    30_B     99  103  123     13  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     N    31_H     N    31_B     99  103  123     13  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     F    32_H     F    32_B     99  103  123     14  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     D    33_H     D    33_B     99  103  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     M    34_H     M    34_B     99  103  123     53  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    35_H     G    35_B     99  103  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     W    36_H     W    36_B     99  103  123     51  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     61  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     R    38_H     R    38_B     99  103  123     50  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     59  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    40_H     A    40_B     99  103  123     39  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     P    41_H     P    41_B     99  103  123     50  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    42_H     G    42_B     99  103  123     54  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     K    43_H     K    43_B     99  103  123     58  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     E    44_H     E    44_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     R    45_H     R    45_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     E    46_H     E    46_B     99  103  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     F    47_H     F    47_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V    48_H     V    48_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    49_H     A    49_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    50_H     A    50_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     I    51_H     I    51_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    52_H     S    52_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     D    53_H     D    53_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     N    54_H     N    54_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    55_H     G    55_B     99  103  123     55  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     R    56_H     R    56_B     99  103  123     17  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    57_H     S    57_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     T    58_H     T    58_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    61_H     A    61_B     99  103  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     D    62_H     D    62_B     99  103  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    63_H     S    63_B     99  103  123     54  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V    64_H     V    64_B     99  103  123     49  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     K    65_H     K    65_B     99  103  123     45  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G    66_H     G    66_B     99  103  123      9   71  104  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     R    67_H     R    67_B     99  103  123     51  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     F    68_H     F    68_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     T    69_H     T    69_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     I    70_H     I    70_B     99  103  123     48  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    71_H     S    71_B     99  103  123     55  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     R    72_H     R    72_B     99  103  123     17  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     D    73_H     D    73_B     99  103  123     60  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     N    74_H     N    74_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    75_H     A    75_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     K    76_H     K    76_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     N    77_H     N    77_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     T    78_H     T    78_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V    79_H     V    79_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     L    81_H     L    81_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     M    83_H     M    83_B     99  103  123     54  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     N    84_H     N    84_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S    85_H     S    85_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     L    86_H     L    86_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     K    87_H     K    87_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     P    88_H     P    88_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     E    89_H     E    89_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     D    90_H     D    90_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     T    91_H     T    91_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    92_H     A    92_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V    93_H     V    93_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     C    96_H     C    96_B     99  103  123     58  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    97_H     A    97_B     99  103  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V    98_H     V    98_B     99  103  123     14   88  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   13   32   84  110  112  112  114  114  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    5    6   15   29   37   84  105  113  114  116  117  117  117  118  118  119  120  121 
LCS_GDT     L   101_H     L   101_B      6  103  123      4   25   79  103  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S   102_H     S   102_B      6  103  123      4   16   37   61   93  110  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     I   103_H     I   103_B      6  103  123      4    5    6    6    6    7   29   69   86  107  115  116  116  117  117  118  119  119  120  121 
LCS_GDT     P   104_H     P   104_B      6    7  123      4    5    6    6    6    8   15   22   29   38   46   57   74   82   93   99  106  107  111  121 
LCS_GDT     D   105_H     D   105_B      6    7  123      3    5    6    6    6    7    8   10   13   16   22   32   46   57   68   80   96  105  109  113 
LCS_GDT     L   106_H     L   106_B      6    7  123      3    5    6    6   13   17   26   36   44   54   68   78   83   94  109  118  119  119  120  121 
LCS_GDT     A   107_H     A   107_B      3    7  123      3    3    3    4    5    8   11   23   32   42   51   62   79   87   94  101  109  117  120  121 
LCS_GDT     E   108_H     E   108_B      3    4  123      3    3    3    3   13   19   29   38   47   57   68   97  111  116  117  118  119  119  120  121 
LCS_GDT     W   109_H     W   109_B      3    4  123      3   12   27   47   64   92  108  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y   110_H     Y   110_B      3    5  123      3    3    4    7    8   58   85  110  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     D   111_H     D   111_B      3   13  123      3   14   30   53   86  106  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     W   113_H     W   113_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G   114_H     G   114_B     12   13  123     56  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Q   115_H     Q   115_B     12   13  123      7   93  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     G   116_H     G   116_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     T   117_H     T   117_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V   119_H     V   119_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     T   120_H     T   120_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     V   121_H     V   121_B     12   13  123     62  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S   122_H     S   122_B     12   13  123     54  102  108  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_GDT     S   123_H     S   123_B     12   13  123      3   35  105  110  110  111  113  114  115  115  116  116  117  117  117  118  119  119  120  121 
LCS_AVERAGE  LCS_A:  79.20  (  66.10   71.51  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     62    102    108    110    110    111    113    114    115    115    116    116    117    117    117    118    119    119    120    121 
GDT PERCENT_AT  50.41  82.93  87.80  89.43  89.43  90.24  91.87  92.68  93.50  93.50  94.31  94.31  95.12  95.12  95.12  95.93  96.75  96.75  97.56  98.37
GDT RMS_LOCAL    0.35   0.52   0.61   0.66   0.66   0.75   1.06   1.25   1.42   1.42   1.47   1.47   1.61   1.61   1.61   1.86   2.47   2.22   2.56   2.88
GDT RMS_ALL_AT   3.80   3.84   3.85   3.85   3.85   3.84   3.77   3.72   3.69   3.69   3.70   3.70   3.71   3.71   3.71   3.66   3.56   3.61   3.56   3.53

# Checking swapping
#   possible swapping detected:  E     6_H      E     6_B
#   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:  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:  D   105_H      D   105_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     0.904     0    0.283   1.121     3.212   92.857   77.460
LGA    V     2_H      V     2_B     0.369     0    0.069   0.149     1.086   97.619   93.265
LGA    Q     3_H      Q     3_B     0.254     0    0.065   0.866     2.758  100.000   87.196
LGA    L     4_H      L     4_B     0.369     0    0.056   0.188     0.638   97.619   97.619
LGA    V     5_H      V     5_B     0.452     0    0.030   0.051     0.485  100.000  100.000
LGA    E     6_H      E     6_B     0.707     0    0.073   0.748     2.984   90.476   81.958
LGA    S     7_H      S     7_B     0.514     0    0.055   0.111     0.649   92.857   93.651
LGA    G     8_H      G     8_B     0.521     0    0.107   0.107     0.631   92.857   92.857
LGA    G     9_H      G     9_B     0.451     0    0.110   0.110     1.134   95.357   95.357
LGA    G    10_H      G    10_B     0.393     0    0.158   0.158     0.754   95.238   95.238
LGA    L    11_H      L    11_B     0.269     0    0.067   0.655     1.543  100.000   94.286
LGA    V    12_H      V    12_B     0.259     0    0.071   0.949     2.413   97.619   89.728
LGA    Q    13_H      Q    13_B     0.453     0    0.040   0.748     3.467  100.000   79.947
LGA    A    14_H      A    14_B     0.332     0    0.020   0.024     0.384  100.000  100.000
LGA    G    15_H      G    15_B     0.410     0    0.147   0.147     0.683   97.619   97.619
LGA    G    16_H      G    16_B     0.569     0    0.043   0.043     0.575   95.238   95.238
LGA    S    17_H      S    17_B     0.441     0    0.058   0.814     2.908   95.238   88.095
LGA    L    18_H      L    18_B     0.672     0    0.034   0.871     3.891   90.476   82.381
LGA    R    19_H      R    19_B     0.899     0    0.037   1.729     7.614   90.476   65.671
LGA    L    20_H      L    20_B     0.633     0    0.060   0.240     0.915   95.238   92.857
LGA    S    21_H      S    21_B     0.255     0    0.140   0.373     1.624   95.357   92.381
LGA    C    22_H      C    22_B     0.209     0    0.042   0.120     0.553  100.000   98.413
LGA    A    23_H      A    23_B     0.526     0    0.022   0.035     0.796   97.619   96.190
LGA    A    24_H      A    24_B     0.393     0    0.026   0.031     0.784  100.000   98.095
LGA    S    25_H      S    25_B     0.519     0    0.049   0.222     1.181   92.857   90.556
LGA    G    26_H      G    26_B     1.585     0    0.036   0.036     2.136   72.976   72.976
LGA    F    27_H      F    27_B     1.762     0    0.075   1.393     8.687   77.143   45.065
LGA    I    28_H      I    28_B     1.448     0    0.605   1.102     3.500   69.286   64.464
LGA    F    29_H      F    29_B     1.186     0    0.118   1.235     8.310   83.690   49.567
LGA    H    30_H      H    30_B     1.320     0    0.056   1.218     5.341   81.429   62.571
LGA    N    31_H      N    31_B     1.182     0    0.063   0.244     1.477   81.429   84.821
LGA    F    32_H      F    32_B     1.030     0    0.102   0.306     1.236   83.690   87.186
LGA    D    33_H      D    33_B     0.945     0    0.074   0.770     1.789   85.952   83.810
LGA    M    34_H      M    34_B     0.685     0    0.018   0.269     1.059   92.857   90.536
LGA    G    35_H      G    35_B     0.585     0    0.083   0.083     0.592   95.238   95.238
LGA    W    36_H      W    36_B     0.825     0    0.067   0.197     0.864   90.476   93.197
LGA    Y    37_H      Y    37_B     0.765     0    0.054   0.285     1.990   90.476   83.095
LGA    R    38_H      R    38_B     0.690     0    0.087   0.581     1.504   90.476   89.740
LGA    Q    39_H      Q    39_B     0.781     0    0.152   0.802     3.492   88.214   75.450
LGA    A    40_H      A    40_B     0.894     0    0.068   0.089     0.894   90.476   90.476
LGA    P    41_H      P    41_B     0.835     0    0.095   0.383     1.383   90.476   89.184
LGA    G    42_H      G    42_B     1.181     0    0.184   0.184     1.516   79.286   79.286
LGA    K    43_H      K    43_B     0.987     0    0.058   0.429     1.866   90.476   86.561
LGA    E    44_H      E    44_B     0.564     0    0.072   1.172     4.778   92.857   75.767
LGA    R    45_H      R    45_B     0.543     0    0.107   1.187     4.047   90.476   73.680
LGA    E    46_H      E    46_B     0.677     0    0.075   0.743     2.800   90.476   80.899
LGA    F    47_H      F    47_B     0.485     0    0.057   0.113     1.041  100.000   93.983
LGA    V    48_H      V    48_B     0.452     0    0.024   0.065     0.517   97.619   98.639
LGA    A    49_H      A    49_B     0.574     0    0.040   0.042     0.813   95.238   94.286
LGA    A    50_H      A    50_B     0.690     0    0.111   0.154     1.319   92.857   90.571
LGA    I    51_H      I    51_B     0.314     0    0.074   0.436     0.810   97.619   95.238
LGA    S    52_H      S    52_B     0.584     0    0.081   0.072     0.847   97.619   95.238
LGA    D    53_H      D    53_B     0.359     0    0.086   0.194     0.805   95.238   96.429
LGA    N    54_H      N    54_B     0.533     0    0.367   1.087     5.361   86.429   71.190
LGA    G    55_H      G    55_B     0.537     0    0.053   0.053     0.779   90.476   90.476
LGA    R    56_H      R    56_B     1.292     0    0.038   1.121     4.553   85.952   64.935
LGA    S    57_H      S    57_B     0.254     0    0.050   0.187     0.927   97.619   96.825
LGA    T    58_H      T    58_B     0.182     0    0.061   0.245     0.550  100.000   98.639
LGA    Y    59_H      Y    59_B     0.492     0    0.049   0.223     1.957   95.238   86.151
LGA    Y    60_H      Y    60_B     0.598     0    0.025   0.104     0.717   92.857   92.857
LGA    A    61_H      A    61_B     0.606     0    0.062   0.069     0.652   90.476   90.476
LGA    D    62_H      D    62_B     0.630     0    0.064   0.239     1.033   90.476   90.536
LGA    S    63_H      S    63_B     0.668     0    0.105   0.568     2.312   90.476   86.190
LGA    V    64_H      V    64_B     0.825     0    0.047   0.095     0.852   90.476   91.837
LGA    K    65_H      K    65_B     0.939     0    0.658   1.041     6.200   79.881   65.979
LGA    G    66_H      G    66_B     2.009     0    0.255   0.255     2.776   66.905   66.905
LGA    R    67_H      R    67_B     0.930     0    0.066   1.453     6.404   88.214   63.939
LGA    F    68_H      F    68_B     0.193     0    0.093   0.254     1.117   95.238   93.117
LGA    T    69_H      T    69_B     0.346     0    0.069   0.091     0.549  100.000   98.639
LGA    I    70_H      I    70_B     0.467     0    0.078   0.229     0.522  100.000   98.810
LGA    S    71_H      S    71_B     0.432     0    0.064   0.226     0.758   95.238   93.651
LGA    R    72_H      R    72_B     0.612     0    0.073   0.802     5.118   92.857   69.264
LGA    D    73_H      D    73_B     0.536     0    0.084   0.228     1.090   95.238   91.726
LGA    N    74_H      N    74_B     0.366     0    0.074   1.051     2.491   97.619   87.619
LGA    A    75_H      A    75_B     0.143     0    0.052   0.063     0.393  100.000  100.000
LGA    K    76_H      K    76_B     0.373     0    0.018   0.581     2.382  100.000   92.011
LGA    N    77_H      N    77_B     0.167     0    0.100   0.566     1.525   97.619   93.095
LGA    T    78_H      T    78_B     0.190     0    0.037   0.992     2.246  100.000   89.932
LGA    V    79_H      V    79_B     0.269     0    0.036   1.028     2.254  100.000   89.932
LGA    Y    80_H      Y    80_B     0.241     0    0.021   0.218     0.532  100.000   99.206
LGA    L    81_H      L    81_B     0.159     0    0.055   0.064     0.516  100.000   98.810
LGA    Q    82_H      Q    82_B     0.583     0    0.036   0.959     3.355   95.238   82.275
LGA    M    83_H      M    83_B     0.669     0    0.050   0.726     1.747   90.476   84.881
LGA    N    84_H      N    84_B     0.539     0    0.041   0.218     0.713   95.238   94.048
LGA    S    85_H      S    85_B     0.283     0    0.047   0.642     2.158  100.000   92.540
LGA    L    86_H      L    86_B     0.302     0    0.126   0.373     1.380   97.619   95.298
LGA    K    87_H      K    87_B     0.339     0    0.037   1.205     5.440  100.000   79.524
LGA    P    88_H      P    88_B     0.550     0    0.120   0.374     1.293   95.238   91.905
LGA    E    89_H      E    89_B     0.518     0    0.088   0.630     3.034   90.476   84.180
LGA    D    90_H      D    90_B     0.520     0    0.056   0.412     1.009   92.857   91.726
LGA    T    91_H      T    91_B     0.487     0    0.022   0.161     0.823   97.619   97.279
LGA    A    92_H      A    92_B     0.497     0    0.035   0.046     0.520   97.619   98.095
LGA    V    93_H      V    93_B     0.536     0    0.035   0.126     0.689   90.476   90.476
LGA    Y    94_H      Y    94_B     0.410     0    0.012   0.138     0.539   95.238   98.413
LGA    Y    95_H      Y    95_B     0.596     0    0.068   0.172     1.025   90.476   89.722
LGA    C    96_H      C    96_B     0.819     0    0.047   0.650     1.232   90.476   87.460
LGA    A    97_H      A    97_B     0.375     0    0.100   0.141     0.951   92.857   92.381
LGA    V    98_H      V    98_B     1.797     0    0.027   1.010     4.275   63.690   59.116
LGA    A    99_H      A    99_B     4.192     0    0.102   0.112     4.583   40.476   41.048
LGA    W   100_H      W   100_B     7.447     0    0.134   1.118     9.451   14.405    6.497
LGA    L   101_H      L   101_B     3.458     0    0.584   0.721     4.641   42.143   49.286
LGA    S   102_H      S   102_B     5.086     0    0.239   0.265     9.203   17.976   24.444
LGA    I   103_H      I   103_B    10.493     0    0.282   0.319    13.552    1.786    0.893
LGA    P   104_H      P   104_B    15.465     0    0.075   0.116    18.269    0.000    0.000
LGA    D   105_H      D   105_B    19.390     0    0.651   1.385    25.372    0.000    0.000
LGA    L   106_H      L   106_B    15.115     0    0.646   0.573    16.508    0.000    0.000
LGA    A   107_H      A   107_B    15.929     0    0.453   0.419    17.508    0.000    0.000
LGA    E   108_H      E   108_B    13.756     0    0.575   0.591    20.444    0.000    0.000
LGA    W   109_H      W   109_B     6.981     0    0.637   1.352     9.393    8.690    8.299
LGA    Y   110_H      Y   110_B     7.540     0    0.646   1.128    17.440   10.952    4.048
LGA    D   111_H      D   111_B     5.541     0    0.109   0.524     9.385   32.976   20.119
LGA    Y   112_H      Y   112_B     0.506     0    0.585   1.197     3.819   90.833   71.389
LGA    W   113_H      W   113_B     0.502     0    0.044   0.314     1.538   92.857   86.020
LGA    G   114_H      G   114_B     0.684     0    0.052   0.052     1.094   88.214   88.214
LGA    Q   115_H      Q   115_B     1.653     0    0.601   1.348     5.828   66.071   58.307
LGA    G   116_H      G   116_B     0.162     0    0.021   0.021     1.182   90.595   90.595
LGA    T   117_H      T   117_B     0.535     0    0.122   1.104     2.745   92.857   84.558
LGA    Q   118_H      Q   118_B     0.673     0    0.108   1.077     2.828   90.476   81.058
LGA    V   119_H      V   119_B     0.201     0    0.059   0.164     0.531   97.619   97.279
LGA    T   120_H      T   120_B     0.378     0    0.149   0.282     1.059   97.619   95.986
LGA    V   121_H      V   121_B     0.493     0    0.035   0.235     1.049   92.857   90.544
LGA    S   122_H      S   122_B     0.754     0    0.068   0.563     2.127   83.810   83.333
LGA    S   123_H      S   123_B     2.068     0    0.408   0.698     5.063   70.833   58.810

# 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):     3.509          3.475                  4.125           83.785   78.836

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.25    90.244    86.174     8.461

LGA_LOCAL      RMSD:   1.247  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.722  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.509  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.782992 * X  +  -0.144263 * Y  +   0.605072 * Z  +  32.854786
  Y_new =  -0.526117 * X  +   0.672540 * Y  +  -0.520471 * Z  + -34.706669
  Z_new =  -0.331851 * X  +  -0.725863 * Y  +  -0.602493 * Z  + -16.305141 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.549954  0.338265 -2.263586   [DEG: -146.1016   19.3811 -129.6939 ]
ZXZ:  0.860421  2.217417 -2.712783   [DEG:   49.2985  127.0487 -155.4310 ]
 
# END of job
