
#######################################################
#                                                     #
#                        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       3.06     3.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.45     3.26
  LCS_AVERAGE:     71.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.87     3.37
  LCS_AVERAGE:     68.71

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    101  103  123     46  107  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     91  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     91  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     94  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     93  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     90  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     78  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    42_H     G    42_B    101  103  123      8  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    43_H     K    43_B    101  103  123     15  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     93  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     79  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     85  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    98_H     V    98_B    101  103  123      5  106  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    5   11   53  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    4    5    5   11   48   88  105  113  113  114  117  117  117  119  120  120  121  121  122 
LCS_GDT     L   101_H     L   101_B    101  103  123      4    6   78  109  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S   102_H     S   102_B      6  103  123      4   16   34   55   80  108  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I   103_H     I   103_B      6  103  123      4    6    6    6    7    7   41   53   66  112  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     P   104_H     P   104_B      6    7  123      4    6    6    6    9   12   17   21   33   42   53   64   78  101  110  114  119  121  122  122 
LCS_GDT     D   105_H     D   105_B      6    7  123      3    6    6    6    7    7   10   14   21   27   32   43   56   68   79   97  109  117  122  122 
LCS_GDT     L   106_H     L   106_B      6    7  123      3    6    9   12   19   27   40   51   66   80   88  106  117  119  119  120  120  121  122  122 
LCS_GDT     A   107_H     A   107_B      4    7  123      3    4    4    5    7    7   10   20   26   42   57   70   94  106  112  117  120  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    7   14   23   34   45   55   92  109  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4    4    8   53   75  104  113  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4    6  123      3    3    4    7    9   14   47   92  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   13  123      3    3   34   55   87  110  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     58  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     94  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     95  108  110  110  112  112  112  114  114  116  116  117  118  119  119  120  120  121  122  122 
LCS_AVERAGE  LCS_A:  80.08  (  68.71   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     95    108    110    110    112    112    112    114    114    116    116    117    118    119    119    120    120    121    122    122 
GDT PERCENT_AT  77.24  87.80  89.43  89.43  91.06  91.06  91.06  92.68  92.68  94.31  94.31  95.12  95.93  96.75  96.75  97.56  97.56  98.37  99.19  99.19
GDT RMS_LOCAL    0.32   0.39   0.43   0.43   0.61   0.61   0.61   1.00   1.00   1.41   1.41   1.52   1.88   2.12   1.97   2.20   2.20   2.45   3.00   2.73
GDT RMS_ALL_AT   3.35   3.35   3.35   3.35   3.35   3.35   3.35   3.27   3.27   3.20   3.20   3.21   3.12   3.09   3.13   3.10   3.10   3.08   3.06   3.07

# Checking swapping
#   possible swapping detected:  E     6_H      E     6_B
#   possible swapping detected:  F    29_H      F    29_B
#   possible swapping detected:  F    32_H      F    32_B
#   possible swapping detected:  Y    37_H      Y    37_B
#   possible swapping detected:  F    47_H      F    47_B
#   possible swapping detected:  Y    94_H      Y    94_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  Y   112_H      Y   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.015     0    0.678   1.090     8.311   79.881   48.624
LGA    V     2_H      V     2_B     0.417     0    0.065   0.193     0.711   97.619   94.558
LGA    Q     3_H      Q     3_B     0.218     0    0.071   0.378     2.587   97.619   85.344
LGA    L     4_H      L     4_B     0.562     0    0.057   0.137     0.681   90.476   90.476
LGA    V     5_H      V     5_B     0.517     0    0.118   0.125     0.817   92.857   94.558
LGA    E     6_H      E     6_B     0.396     0    0.049   0.202     0.829   97.619   93.651
LGA    S     7_H      S     7_B     0.431     0    0.038   0.112     0.690   97.619   95.238
LGA    G     8_H      G     8_B     0.451     0    0.049   0.049     0.683   97.619   97.619
LGA    G     9_H      G     9_B     0.446     0    0.046   0.046     0.446  100.000  100.000
LGA    G    10_H      G    10_B     0.289     0    0.154   0.154     0.688   97.619   97.619
LGA    L    11_H      L    11_B     0.091     0    0.022   0.446     1.046  100.000   96.488
LGA    V    12_H      V    12_B     0.381     0    0.051   0.224     0.927   97.619   95.918
LGA    Q    13_H      Q    13_B     0.407     0    0.033   1.406     4.187   97.619   82.063
LGA    A    14_H      A    14_B     0.526     0    0.027   0.036     0.622   97.619   96.190
LGA    G    15_H      G    15_B     0.369     0    0.154   0.154     0.828   95.238   95.238
LGA    G    16_H      G    16_B     0.313     0    0.058   0.058     0.514   97.619   97.619
LGA    S    17_H      S    17_B     0.260     0    0.028   0.795     2.837  100.000   92.857
LGA    L    18_H      L    18_B     0.378     0    0.030   1.123     3.809  100.000   88.214
LGA    R    19_H      R    19_B     0.496     0    0.060   1.982     7.344  100.000   68.225
LGA    L    20_H      L    20_B     0.327     0    0.063   0.315     0.930   97.619   97.619
LGA    S    21_H      S    21_B     0.145     0    0.056   0.348     1.184  100.000   96.905
LGA    C    22_H      C    22_B     0.232     0    0.024   0.090     0.657  100.000   98.413
LGA    A    23_H      A    23_B     0.218     0    0.024   0.034     0.446  100.000  100.000
LGA    A    24_H      A    24_B     0.427     0    0.027   0.043     0.721  100.000   98.095
LGA    S    25_H      S    25_B     0.219     0    0.061   0.211     0.609  100.000   98.413
LGA    G    26_H      G    26_B     0.514     0    0.077   0.077     0.514   97.619   97.619
LGA    F    27_H      F    27_B     0.048     0    0.037   0.050     0.196  100.000  100.000
LGA    I    28_H      I    28_B     0.236     0    0.067   1.285     2.823   97.619   82.738
LGA    F    29_H      F    29_B     0.428     0    0.033   0.201     0.931  100.000   95.671
LGA    H    30_H      H    30_B     0.232     0    0.138   0.252     1.714   97.619   88.952
LGA    N    31_H      N    31_B     0.359     0    0.034   0.297     1.015   95.238   92.917
LGA    F    32_H      F    32_B     0.487     0    0.069   0.360     1.299   97.619   91.429
LGA    D    33_H      D    33_B     0.720     0    0.055   0.653     2.006   90.476   86.131
LGA    M    34_H      M    34_B     0.600     0    0.108   0.239     0.717   95.238   94.048
LGA    G    35_H      G    35_B     0.587     0    0.033   0.033     0.587   95.238   95.238
LGA    W    36_H      W    36_B     0.536     0    0.055   0.066     0.689   90.476   96.599
LGA    Y    37_H      Y    37_B     0.636     0    0.043   0.249     2.007   90.476   82.421
LGA    R    38_H      R    38_B     0.580     0    0.030   0.350     1.555   92.857   88.095
LGA    Q    39_H      Q    39_B     0.667     0    0.077   0.394     2.226   90.476   85.714
LGA    A    40_H      A    40_B     0.710     0    0.074   0.086     0.751   90.476   90.476
LGA    P    41_H      P    41_B     0.747     0    0.043   0.374     1.145   92.857   90.544
LGA    G    42_H      G    42_B     1.441     0    0.240   0.240     1.441   81.429   81.429
LGA    K    43_H      K    43_B     1.372     0    0.059   0.499     2.819   81.429   75.926
LGA    E    44_H      E    44_B     0.729     0    0.053   1.119     4.648   88.214   75.767
LGA    R    45_H      R    45_B     0.594     0    0.136   1.036     4.066   88.214   72.424
LGA    E    46_H      E    46_B     0.496     0    0.024   0.513     2.290   95.238   90.847
LGA    F    47_H      F    47_B     0.484     0    0.046   0.125     0.950  100.000   93.939
LGA    V    48_H      V    48_B     0.396     0    0.020   0.069     0.430  100.000  100.000
LGA    A    49_H      A    49_B     0.430     0    0.036   0.041     0.695   97.619   96.190
LGA    A    50_H      A    50_B     0.634     0    0.091   0.132     1.112   92.857   90.571
LGA    I    51_H      I    51_B     0.262     0    0.076   0.422     0.850   97.619   95.238
LGA    S    52_H      S    52_B     0.575     0    0.074   0.092     0.916   95.238   93.651
LGA    D    53_H      D    53_B     0.361     0    0.085   0.258     0.947   95.238   95.238
LGA    N    54_H      N    54_B     0.579     0    0.309   0.474     2.173   86.429   89.643
LGA    G    55_H      G    55_B     0.273     0    0.061   0.061     0.366  100.000  100.000
LGA    R    56_H      R    56_B     0.413     0    0.032   1.138     3.647   97.619   85.584
LGA    S    57_H      S    57_B     0.347     0    0.024   0.151     0.419  100.000  100.000
LGA    T    58_H      T    58_B     0.181     0    0.151   0.322     0.712   97.619   97.279
LGA    Y    59_H      Y    59_B     0.564     0    0.027   1.321     8.015   95.238   59.246
LGA    Y    60_H      Y    60_B     0.336     0    0.047   0.055     0.463  100.000  100.000
LGA    A    61_H      A    61_B     0.283     0    0.075   0.077     0.431  100.000  100.000
LGA    D    62_H      D    62_B     0.221     0    0.076   0.342     1.209   97.619   96.488
LGA    S    63_H      S    63_B     0.571     0    0.178   0.529     3.024   97.619   86.984
LGA    V    64_H      V    64_B     0.299     0    0.045   0.074     0.491  100.000  100.000
LGA    K    65_H      K    65_B     0.234     0    0.024   0.876     4.477  100.000   86.878
LGA    G    66_H      G    66_B     0.340     0    0.175   0.175     0.970   97.619   97.619
LGA    R    67_H      R    67_B     0.317     0    0.098   0.531     1.357   97.619   95.714
LGA    F    68_H      F    68_B     0.191     0    0.051   0.199     0.700  100.000   97.403
LGA    T    69_H      T    69_B     0.328     0    0.006   0.066     0.585  100.000   98.639
LGA    I    70_H      I    70_B     0.304     0    0.074   0.219     0.530  100.000   98.810
LGA    S    71_H      S    71_B     0.455     0    0.019   0.263     1.114   95.238   92.143
LGA    R    72_H      R    72_B     0.160     0    0.011   0.191     0.847  100.000   97.403
LGA    D    73_H      D    73_B     0.078     0    0.038   0.203     0.442  100.000  100.000
LGA    N    74_H      N    74_B     0.284     0    0.053   1.086     2.496  100.000   90.000
LGA    A    75_H      A    75_B     0.289     0    0.040   0.044     0.358  100.000  100.000
LGA    K    76_H      K    76_B     0.200     0    0.070   0.483     1.443  100.000   95.820
LGA    N    77_H      N    77_B     0.263     0    0.070   0.372     1.441  100.000   95.298
LGA    T    78_H      T    78_B     0.225     0    0.061   1.186     2.660  100.000   88.844
LGA    V    79_H      V    79_B     0.203     0    0.023   0.071     0.325  100.000  100.000
LGA    Y    80_H      Y    80_B     0.190     0    0.041   0.106     0.442  100.000  100.000
LGA    L    81_H      L    81_B     0.226     0    0.032   0.113     0.330  100.000  100.000
LGA    Q    82_H      Q    82_B     0.096     0    0.017   0.781     2.409  100.000   89.048
LGA    M    83_H      M    83_B     0.264     0    0.023   0.186     0.674  100.000   98.810
LGA    N    84_H      N    84_B     0.370     0    0.025   0.266     0.776  100.000   97.619
LGA    S    85_H      S    85_B     0.385     0    0.068   0.674     2.171   97.619   92.540
LGA    L    86_H      L    86_B     0.302     0    0.088   0.387     1.361  100.000   96.488
LGA    K    87_H      K    87_B     0.325     0    0.037   0.794     1.770  100.000   89.841
LGA    P    88_H      P    88_B     0.476     0    0.130   0.383     1.060  100.000   95.986
LGA    E    89_H      E    89_B     0.281     0    0.092   0.910     3.420  100.000   83.598
LGA    D    90_H      D    90_B     0.273     0    0.074   0.321     0.973  100.000   97.619
LGA    T    91_H      T    91_B     0.265     0    0.067   0.118     0.537  100.000   98.639
LGA    A    92_H      A    92_B     0.246     0    0.042   0.059     0.338  100.000  100.000
LGA    V    93_H      V    93_B     0.379     0    0.029   0.189     0.663  100.000   97.279
LGA    Y    94_H      Y    94_B     0.297     0    0.080   0.157     0.491  100.000  100.000
LGA    Y    95_H      Y    95_B     0.641     0    0.079   0.237     1.546   90.476   87.500
LGA    C    96_H      C    96_B     0.713     0    0.073   0.151     0.903   90.476   90.476
LGA    A    97_H      A    97_B     0.181     0    0.105   0.133     0.703   95.238   96.190
LGA    V    98_H      V    98_B     1.471     0    0.080   0.134     2.833   73.452   68.639
LGA    A    99_H      A    99_B     2.767     0    0.057   0.056     3.597   54.167   57.905
LGA    W   100_H      W   100_B     6.262     0    0.177   0.879    12.578   22.976    7.381
LGA    L   101_H      L   101_B     3.564     0    0.656   1.074     5.465   41.905   40.893
LGA    S   102_H      S   102_B     5.922     0    0.196   0.196    10.028   15.833   18.651
LGA    I   103_H      I   103_B     9.957     0    0.149   0.223    12.229    2.024    1.131
LGA    P   104_H      P   104_B    14.775     0    0.085   0.382    16.863    0.000    0.000
LGA    D   105_H      D   105_B    17.161     0    0.603   1.035    21.468    0.000    0.000
LGA    L   106_H      L   106_B    11.908     0    0.543   0.441    13.780    0.000    0.060
LGA    A   107_H      A   107_B    13.000     0    0.039   0.043    14.836    0.000    0.000
LGA    E   108_H      E   108_B    10.829     0    0.242   0.587    17.583    0.714    0.317
LGA    W   109_H      W   109_B     7.791     0    0.167   1.105    16.861    6.786    2.143
LGA    Y   110_H      Y   110_B     7.886     0    0.591   1.067    18.651   11.190    3.849
LGA    D   111_H      D   111_B     5.789     0    0.024   0.318     9.109   28.333   17.976
LGA    Y   112_H      Y   112_B     0.777     0    0.548   1.183     2.750   88.810   82.897
LGA    W   113_H      W   113_B     0.348     0    0.031   0.253     1.248  100.000   91.293
LGA    G   114_H      G   114_B     0.307     0    0.018   0.018     0.434  100.000  100.000
LGA    Q   115_H      Q   115_B     0.530     0    0.040   0.338     2.493   97.619   86.878
LGA    G   116_H      G   116_B     0.239     0    0.059   0.059     0.866   97.619   97.619
LGA    T   117_H      T   117_B     0.356     0    0.132   0.146     0.520   97.619   98.639
LGA    Q   118_H      Q   118_B     0.555     0    0.112   1.020     2.659   97.619   84.233
LGA    V   119_H      V   119_B     0.203     0    0.051   0.163     0.718   97.619   97.279
LGA    T   120_H      T   120_B     0.295     0    0.075   0.220     0.786   97.619   97.279
LGA    V   121_H      V   121_B     0.338     0    0.070   0.220     1.065   97.619   94.626
LGA    S   122_H      S   122_B     0.548     0    0.084   0.542     2.550   97.619   89.683
LGA    S   123_H      S   123_B     0.258     0    0.539   0.543     1.917   90.833   89.206

# 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):     3.058          3.001                  3.872           87.919   83.819

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.00    91.870    86.988    10.357

LGA_LOCAL      RMSD:   1.001  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.271  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.058  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.076171 * X  +   0.316315 * Y  +   0.945591 * Z  +  36.979023
  Y_new =  -0.061144 * X  +  -0.948043 * Y  +   0.312210 * Z  + -21.299078
  Z_new =   0.995218 * X  +  -0.034036 * Y  +   0.091554 * Z  + -30.280678 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.465193 -1.472964 -0.355927   [DEG: -141.2451  -84.3946  -20.3931 ]
ZXZ:  1.889701  1.479114  1.604983   [DEG:  108.2719   84.7470   91.9587 ]
 
# END of job
