
#######################################################
#                                                     #
#                        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       3.26     3.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.64     3.48
  LCS_AVERAGE:     71.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.69     3.61
  LCS_AVERAGE:     66.15

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     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V     2_H     V     2_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     L     4_H     L     4_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V     5_H     V     5_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     E     6_H     E     6_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S     7_H     S     7_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G     8_H     G     8_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G     9_H     G     9_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    10_H     G    10_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     L    11_H     L    11_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V    12_H     V    12_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    14_H     A    14_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    15_H     G    15_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    16_H     G    16_B     99  103  123     59  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    17_H     S    17_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     L    18_H     L    18_B     99  103  123     49  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     R    19_H     R    19_B     99  103  123     29  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     L    20_H     L    20_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    21_H     S    21_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     C    22_H     C    22_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    23_H     A    23_B     99  103  123     29  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    24_H     A    24_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    25_H     S    25_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    26_H     G    26_B     99  103  123      6  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     F    27_H     F    27_B     99  103  123     56  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     I    28_H     I    28_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     F    29_H     F    29_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     H    30_H     H    30_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     N    31_H     N    31_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     F    32_H     F    32_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     D    33_H     D    33_B     99  103  123     43  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     M    34_H     M    34_B     99  103  123     38  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    35_H     G    35_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     W    36_H     W    36_B     99  103  123     42  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     R    38_H     R    38_B     99  103  123     31  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     31  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    40_H     A    40_B     99  103  123     31  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     P    41_H     P    41_B     99  103  123     56  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    42_H     G    42_B     99  103  123     15  103  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     K    43_H     K    43_B     99  103  123     25  101  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     E    44_H     E    44_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     R    45_H     R    45_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     E    46_H     E    46_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     F    47_H     F    47_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V    48_H     V    48_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    49_H     A    49_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    50_H     A    50_B     99  103  123     34  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     I    51_H     I    51_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    52_H     S    52_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     D    53_H     D    53_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     N    54_H     N    54_B     99  103  123     49  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    55_H     G    55_B     99  103  123     42  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     R    56_H     R    56_B     99  103  123      4  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    57_H     S    57_B     99  103  123     55  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     T    58_H     T    58_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     59  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     59  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    61_H     A    61_B     99  103  123     56  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     D    62_H     D    62_B     99  103  123     49  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    63_H     S    63_B     99  103  123     39  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V    64_H     V    64_B     99  103  123     49  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     K    65_H     K    65_B     99  103  123     59  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G    66_H     G    66_B     99  103  123     57  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     R    67_H     R    67_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     F    68_H     F    68_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     T    69_H     T    69_B     99  103  123     58  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     I    70_H     I    70_B     99  103  123     46  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    71_H     S    71_B     99  103  123     37  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     R    72_H     R    72_B     99  103  123     41  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     D    73_H     D    73_B     99  103  123     58  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     N    74_H     N    74_B     99  103  123     55  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    75_H     A    75_B     99  103  123     55  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     K    76_H     K    76_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     N    77_H     N    77_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     T    78_H     T    78_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V    79_H     V    79_B     99  103  123     57  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     L    81_H     L    81_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     M    83_H     M    83_B     99  103  123     50  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     N    84_H     N    84_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S    85_H     S    85_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     L    86_H     L    86_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     K    87_H     K    87_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     P    88_H     P    88_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     E    89_H     E    89_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     D    90_H     D    90_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     T    91_H     T    91_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    92_H     A    92_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V    93_H     V    93_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     C    96_H     C    96_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    97_H     A    97_B     99  103  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V    98_H     V    98_B     99  103  123     13   99  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   13   36   89  112  112  112  114  114  116  116  117  119  119  120  120  120  121  122 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    5    5   13   16   38   64  102  113  114  115  117  117  117  120  120  120  121  122 
LCS_GDT     L   101_H     L   101_B      6  103  123      5   15   57   96  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S   102_H     S   102_B      6  103  123      5   15   29   54   81  105  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     I   103_H     I   103_B      6  103  123      5    5    5    6    6    7   36   45   59  103  113  116  118  119  119  120  120  120  121  122 
LCS_GDT     P   104_H     P   104_B      6    7  123      5    5    5    6    6    8   12   18   31   42   52   61   75   91  104  107  111  113  118  122 
LCS_GDT     D   105_H     D   105_B      6    7  123      5    5    5    6    6    7    9   13   18   27   42   51   63   76   95  106  111  113  118  120 
LCS_GDT     L   106_H     L   106_B      6    7  123      4    4   11   16   22   36   42   49   66   91  105  115  118  119  119  120  120  120  121  122 
LCS_GDT     A   107_H     A   107_B      5    7  123      4    4    5    5    6    7   12   18   31   43   56   67   82   96  104  107  115  120  121  122 
LCS_GDT     E   108_H     E   108_B      5    6  123      4    4    5    5   16   21   33   46   59   69   96  110  118  119  119  120  120  120  121  122 
LCS_GDT     W   109_H     W   109_B      5    6  123      4    4   23   39   58   82  104  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y   110_H     Y   110_B      5    6  123      3    4    5    6    8   13   81  107  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     D   111_H     D   111_B      3   13  123      3    4    4   47   72  102  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     58  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     59  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     54  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     17   54  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     61  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     32  105  109  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     18   60  108  110  110  112  112  113  115  115  116  116  118  119  119  120  120  120  121  122 
LCS_AVERAGE  LCS_A:  79.23  (  66.15   71.54  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     61    105    109    110    110    112    112    113    115    115    116    116    118    119    119    120    120    120    121    122 
GDT PERCENT_AT  49.59  85.37  88.62  89.43  89.43  91.06  91.06  91.87  93.50  93.50  94.31  94.31  95.93  96.75  96.75  97.56  97.56  97.56  98.37  99.19
GDT RMS_LOCAL    0.36   0.53   0.59   0.61   0.61   0.81   0.81   1.09   1.47   1.47   1.52   1.52   2.26   2.29   2.29   2.39   2.39   2.39   2.69   2.96
GDT RMS_ALL_AT   3.56   3.57   3.59   3.59   3.59   3.59   3.59   3.50   3.41   3.41   3.43   3.43   3.29   3.30   3.30   3.31   3.31   3.31   3.28   3.26

# Checking swapping
#   possible swapping detected:  F    27_H      F    27_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     0.464     0    0.251   1.070     3.070   90.595   81.164
LGA    V     2_H      V     2_B     0.379     0    0.071   0.168     0.691  100.000   97.279
LGA    Q     3_H      Q     3_B     0.474     0    0.073   0.774     2.783  100.000   85.185
LGA    L     4_H      L     4_B     0.257     0    0.034   0.213     0.933   97.619   96.429
LGA    V     5_H      V     5_B     0.216     0    0.063   0.086     0.517  100.000   98.639
LGA    E     6_H      E     6_B     0.211     0    0.071   0.776     4.515   97.619   78.677
LGA    S     7_H      S     7_B     0.245     0    0.043   0.101     0.557  100.000   98.413
LGA    G     8_H      G     8_B     0.361     0    0.118   0.118     0.655   97.619   97.619
LGA    G     9_H      G     9_B     0.476     0    0.109   0.109     1.036   95.357   95.357
LGA    G    10_H      G    10_B     0.369     0    0.155   0.155     0.732   95.238   95.238
LGA    L    11_H      L    11_B     0.270     0    0.077   0.659     1.565  100.000   93.095
LGA    V    12_H      V    12_B     0.226     0    0.100   0.945     2.375   95.357   88.435
LGA    Q    13_H      Q    13_B     0.247     0    0.036   1.323     3.713  100.000   83.333
LGA    A    14_H      A    14_B     0.336     0    0.025   0.024     0.413  100.000  100.000
LGA    G    15_H      G    15_B     0.498     0    0.145   0.145     0.615   97.619   97.619
LGA    G    16_H      G    16_B     0.578     0    0.036   0.036     0.629   95.238   95.238
LGA    S    17_H      S    17_B     0.434     0    0.055   0.812     2.873   95.238   88.095
LGA    L    18_H      L    18_B     0.689     0    0.031   0.869     3.901   90.476   82.381
LGA    R    19_H      R    19_B     0.898     0    0.038   1.728     7.594   90.476   65.671
LGA    L    20_H      L    20_B     0.615     0    0.069   0.246     0.914   95.238   92.857
LGA    S    21_H      S    21_B     0.325     0    0.143   0.366     1.607   97.619   93.889
LGA    C    22_H      C    22_B     0.436     0    0.043   0.162     0.826   92.857   92.063
LGA    A    23_H      A    23_B     0.772     0    0.028   0.043     0.854   92.857   92.381
LGA    A    24_H      A    24_B     0.625     0    0.023   0.024     0.923   90.476   90.476
LGA    S    25_H      S    25_B     0.279     0    0.082   0.231     0.832   97.619   96.825
LGA    G    26_H      G    26_B     0.934     0    0.061   0.061     0.956   92.857   92.857
LGA    F    27_H      F    27_B     0.592     0    0.037   0.121     1.072   95.238   90.563
LGA    I    28_H      I    28_B     0.462     0    0.133   1.263     2.924   92.857   81.310
LGA    F    29_H      F    29_B     0.726     0    0.057   0.283     2.517   92.857   78.874
LGA    H    30_H      H    30_B     0.725     0    0.035   1.244     5.973   95.238   65.333
LGA    N    31_H      N    31_B     0.320     0    0.050   0.213     0.849   95.238   92.857
LGA    F    32_H      F    32_B     0.562     0    0.082   0.226     0.766   90.476   90.476
LGA    D    33_H      D    33_B     0.888     0    0.024   1.004     5.112   88.214   70.952
LGA    M    34_H      M    34_B     0.730     0    0.137   1.016     3.152   90.476   79.226
LGA    G    35_H      G    35_B     0.613     0    0.020   0.020     0.709   92.857   92.857
LGA    W    36_H      W    36_B     0.877     0    0.051   0.207     1.252   90.476   88.571
LGA    Y    37_H      Y    37_B     0.786     0    0.045   0.257     1.874   90.476   83.810
LGA    R    38_H      R    38_B     0.798     0    0.064   0.582     1.481   90.476   90.563
LGA    Q    39_H      Q    39_B     0.862     0    0.100   0.386     1.958   90.476   85.556
LGA    A    40_H      A    40_B     0.862     0    0.069   0.088     0.909   90.476   90.476
LGA    P    41_H      P    41_B     0.768     0    0.092   0.386     1.589   90.476   87.959
LGA    G    42_H      G    42_B     1.446     0    0.179   0.179     1.504   79.286   79.286
LGA    K    43_H      K    43_B     1.495     0    0.073   1.006     6.201   79.286   65.608
LGA    E    44_H      E    44_B     0.718     0    0.048   1.165     4.602   88.214   73.704
LGA    R    45_H      R    45_B     0.434     0    0.090   1.202     5.364   95.238   72.468
LGA    E    46_H      E    46_B     0.578     0    0.077   0.735     2.667   92.857   81.958
LGA    F    47_H      F    47_B     0.458     0    0.056   0.107     0.981  100.000   95.671
LGA    V    48_H      V    48_B     0.389     0    0.036   0.077     0.491  100.000  100.000
LGA    A    49_H      A    49_B     0.501     0    0.031   0.042     0.831   95.238   94.286
LGA    A    50_H      A    50_B     0.776     0    0.097   0.131     1.367   90.476   88.667
LGA    I    51_H      I    51_B     0.208     0    0.087   0.443     1.039   92.976   94.107
LGA    S    52_H      S    52_B     0.572     0    0.084   0.070     0.714   97.619   95.238
LGA    D    53_H      D    53_B     0.391     0    0.066   0.128     0.875   95.238   95.238
LGA    N    54_H      N    54_B     0.778     0    0.363   1.127     5.555   86.429   68.571
LGA    G    55_H      G    55_B     0.771     0    0.044   0.044     1.060   88.214   88.214
LGA    R    56_H      R    56_B     1.446     0    0.025   1.121     4.669   81.429   60.736
LGA    S    57_H      S    57_B     0.533     0    0.095   0.557     1.415   97.619   93.730
LGA    T    58_H      T    58_B     0.258     0    0.056   0.252     0.614  100.000   98.639
LGA    Y    59_H      Y    59_B     0.616     0    0.060   0.360     2.841   90.476   78.968
LGA    Y    60_H      Y    60_B     0.607     0    0.021   0.093     0.721   90.476   93.651
LGA    A    61_H      A    61_B     0.609     0    0.072   0.086     0.657   90.476   90.476
LGA    D    62_H      D    62_B     0.824     0    0.045   0.224     1.122   90.476   89.345
LGA    S    63_H      S    63_B     0.963     0    0.117   0.569     2.391   90.476   84.683
LGA    V    64_H      V    64_B     0.760     0    0.049   0.097     0.857   90.476   91.837
LGA    K    65_H      K    65_B     0.575     0    0.018   1.115     5.708   90.476   72.751
LGA    G    66_H      G    66_B     0.661     0    0.152   0.152     1.421   88.214   88.214
LGA    R    67_H      R    67_B     0.563     0    0.092   0.565     1.320   92.857   91.385
LGA    F    68_H      F    68_B     0.146     0    0.089   0.261     1.143   97.619   95.714
LGA    T    69_H      T    69_B     0.404     0    0.064   0.084     0.589  100.000   98.639
LGA    I    70_H      I    70_B     0.595     0    0.073   0.219     0.657   92.857   91.667
LGA    S    71_H      S    71_B     0.660     0    0.047   0.217     0.970   90.476   90.476
LGA    R    72_H      R    72_B     0.553     0    0.060   1.023     2.141   92.857   84.329
LGA    D    73_H      D    73_B     0.335     0    0.060   0.230     0.796  100.000   98.810
LGA    N    74_H      N    74_B     0.491     0    0.124   1.056     3.118   92.976   83.333
LGA    A    75_H      A    75_B     0.538     0    0.064   0.075     0.689   95.238   94.286
LGA    K    76_H      K    76_B     0.438     0    0.115   0.628     2.186   97.619   89.894
LGA    N    77_H      N    77_B     0.180     0    0.087   0.475     1.399   97.619   92.976
LGA    T    78_H      T    78_B     0.244     0    0.071   1.140     2.638  100.000   88.844
LGA    V    79_H      V    79_B     0.354     0    0.029   0.062     0.753  100.000   95.918
LGA    Y    80_H      Y    80_B     0.118     0    0.021   0.227     0.700  100.000   97.619
LGA    L    81_H      L    81_B     0.142     0    0.053   0.060     0.515  100.000   98.810
LGA    Q    82_H      Q    82_B     0.526     0    0.032   0.956     3.384   97.619   84.233
LGA    M    83_H      M    83_B     0.667     0    0.046   0.729     1.805   90.476   84.881
LGA    N    84_H      N    84_B     0.554     0    0.030   0.217     0.749   95.238   94.048
LGA    S    85_H      S    85_B     0.314     0    0.053   0.642     2.005  100.000   94.127
LGA    L    86_H      L    86_B     0.415     0    0.117   0.334     1.190   97.619   96.488
LGA    K    87_H      K    87_B     0.419     0    0.031   0.868     2.212   97.619   89.048
LGA    P    88_H      P    88_B     0.614     0    0.118   0.374     1.378   92.857   90.544
LGA    E    89_H      E    89_B     0.580     0    0.091   0.619     2.813   90.476   86.878
LGA    D    90_H      D    90_B     0.551     0    0.055   0.425     1.219   90.476   90.536
LGA    T    91_H      T    91_B     0.512     0    0.022   0.164     0.822   92.857   94.558
LGA    A    92_H      A    92_B     0.544     0    0.036   0.047     0.554   92.857   92.381
LGA    V    93_H      V    93_B     0.570     0    0.039   0.112     0.707   90.476   90.476
LGA    Y    94_H      Y    94_B     0.465     0    0.017   0.152     0.668   92.857   97.619
LGA    Y    95_H      Y    95_B     0.652     0    0.038   0.191     1.480   90.476   87.460
LGA    C    96_H      C    96_B     0.740     0    0.101   0.161     1.135   88.214   88.968
LGA    A    97_H      A    97_B     0.152     0    0.125   0.182     0.541   97.619   96.190
LGA    V    98_H      V    98_B     1.516     0    0.059   0.071     3.591   65.952   61.156
LGA    A    99_H      A    99_B     3.944     0    0.069   0.075     4.456   45.238   46.190
LGA    W   100_H      W   100_B     7.517     0    0.043   1.585    16.366   12.857    3.707
LGA    L   101_H      L   101_B     4.039     0    0.638   1.253     4.920   35.833   40.000
LGA    S   102_H      S   102_B     5.812     0    0.111   0.549     9.471   14.762   16.984
LGA    I   103_H      I   103_B    10.904     0    0.117   0.155    13.861    0.714    0.357
LGA    P   104_H      P   104_B    15.202     0    0.097   0.396    17.330    0.000    0.000
LGA    D   105_H      D   105_B    17.385     0    0.623   1.373    23.677    0.000    0.000
LGA    L   106_H      L   106_B    12.154     0    0.354   0.356    14.031    0.000    0.357
LGA    A   107_H      A   107_B    15.064     0    0.040   0.037    17.278    0.000    0.000
LGA    E   108_H      E   108_B    12.175     0    0.254   0.593    18.333    0.357    0.159
LGA    W   109_H      W   109_B     7.809     0    0.453   1.300    14.766    5.714    1.973
LGA    Y   110_H      Y   110_B     7.904     0    0.621   1.109    17.392    7.857    2.857
LGA    D   111_H      D   111_B     6.075     0    0.106   0.508    10.034   27.738   15.952
LGA    Y   112_H      Y   112_B     0.400     0    0.579   1.175     3.377   86.905   68.492
LGA    W   113_H      W   113_B     0.303     0    0.043   0.229     1.189   97.619   89.966
LGA    G   114_H      G   114_B     0.530     0    0.059   0.059     0.902   92.857   92.857
LGA    Q   115_H      Q   115_B     1.710     0    0.636   1.335     5.711   64.048   56.508
LGA    G   116_H      G   116_B     0.271     0    0.033   0.033     0.814   97.619   97.619
LGA    T   117_H      T   117_B     0.559     0    0.128   1.153     2.771   92.857   84.558
LGA    Q   118_H      Q   118_B     0.623     0    0.107   1.073     2.872   90.476   81.058
LGA    V   119_H      V   119_B     0.142     0    0.059   0.163     0.568  100.000   98.639
LGA    T   120_H      T   120_B     0.402     0    0.146   0.285     1.102   97.619   95.986
LGA    V   121_H      V   121_B     0.539     0    0.037   0.241     1.082   90.476   89.184
LGA    S   122_H      S   122_B     0.797     0    0.032   0.167     1.119   85.952   89.048
LGA    S   123_H      S   123_B     1.670     0    0.199   0.679     4.339   75.000   66.984

# 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):     3.257          3.192                  4.071           84.490   79.889

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    1.09    91.057    86.550     9.517

LGA_LOCAL      RMSD:   1.087  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.497  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.257  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.824808 * X  +   0.068789 * Y  +  -0.561213 * Z  +  32.988762
  Y_new =   0.472332 * X  +   0.629425 * Y  +  -0.617031 * Z  + -35.758274
  Z_new =   0.310796 * X  +  -0.774011 * Y  +  -0.551646 * Z  + -18.110676 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.621521 -0.316031 -2.190002   [DEG:  150.2021  -18.1072 -125.4779 ]
ZXZ: -0.738060  2.155133  2.759759   [DEG:  -42.2877  123.4800  158.1226 ]
 
# END of job
