
#######################################################
#                                                     #
#                        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       3.24     3.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.52     3.50
  LCS_AVERAGE:     71.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.90     3.63
  LCS_AVERAGE:     68.64

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     82  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     82  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     81  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     88  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     90  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     91  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     85  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     69  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     44  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     69  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    42_H     G    42_B    101  103  123     24  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     K    43_H     K    43_B    101  103  123     32  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     17  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     84  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     22  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V    98_H     V    98_B    101  103  123     20  106  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    5   14  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    5    5    6    9   37   84  105  111  114  114  117  117  117  118  119  120  120  121  122 
LCS_GDT     L   101_H     L   101_B    101  103  123      3    5   59  103  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S   102_H     S   102_B      5  103  123      4    5   29   50   86  109  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     I   103_H     I   103_B      5  103  123      4    5    5    6    7    8   25   48   89  110  115  116  118  118  119  119  120  120  121  122 
LCS_GDT     P   104_H     P   104_B      5    6  123      4    5    5    6    7    7    9   10   13   39   46   57   70   97  110  113  116  120  121  122 
LCS_GDT     D   105_H     D   105_B      5    6  123      4    5    5    6    7    8    9   13   19   36   47   61   77   97  110  113  116  120  121  122 
LCS_GDT     L   106_H     L   106_B      5    6  123      3    3    5    8   17   22   33   44   56   68   83   92   95  113  119  119  120  120  121  122 
LCS_GDT     A   107_H     A   107_B      3    6  123      3    3    4    5    7    9   13   24   34   52   63   73   92  102  110  114  120  120  121  122 
LCS_GDT     E   108_H     E   108_B      3    6  123      3    3    4   13   24   31   43   52   81   94  111  116  118  118  119  119  120  120  121  122 
LCS_GDT     W   109_H     W   109_B      3    5  123      3    3   23   38   61   88  107  113  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y   110_H     Y   110_B      3    5  123      3    3    5    6   14   18   69  105  114  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     D   111_H     D   111_B      3   13  123      3   18   35   59   92  110  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     33  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     88  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  121  122 
LCS_AVERAGE  LCS_A:  80.05  (  68.64   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     92    109    110    110    112    112    112    114    115    116    116    117    118    118    119    119    120    120    121    122 
GDT PERCENT_AT  74.80  88.62  89.43  89.43  91.06  91.06  91.06  92.68  93.50  94.31  94.31  95.12  95.93  95.93  96.75  96.75  97.56  97.56  98.37  99.19
GDT RMS_LOCAL    0.31   0.41   0.42   0.42   0.62   0.62   0.62   1.01   1.22   1.40   1.40   1.52   1.98   1.98   2.28   2.07   2.56   2.36   2.63   2.97
GDT RMS_ALL_AT   3.62   3.60   3.60   3.60   3.61   3.61   3.61   3.52   3.47   3.43   3.43   3.45   3.33   3.33   3.29   3.34   3.26   3.30   3.27   3.25

# 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:  E    46_H      E    46_B
#   possible swapping detected:  F    47_H      F    47_B
#   possible swapping detected:  E    89_H      E    89_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     0.543     0    0.644   1.049     9.038   84.048   48.095
LGA    V     2_H      V     2_B     0.563     0    0.034   0.191     0.933   95.238   94.558
LGA    Q     3_H      Q     3_B     0.541     0    0.063   0.380     2.610   90.476   81.958
LGA    L     4_H      L     4_B     0.646     0    0.116   0.163     0.968   90.476   90.476
LGA    V     5_H      V     5_B     0.427     0    0.101   0.116     0.750   97.619   98.639
LGA    E     6_H      E     6_B     0.367     0    0.063   0.285     0.732   97.619   94.709
LGA    S     7_H      S     7_B     0.473     0    0.033   0.119     0.853   97.619   95.238
LGA    G     8_H      G     8_B     0.434     0    0.090   0.090     0.801   97.619   97.619
LGA    G     9_H      G     9_B     0.255     0    0.038   0.038     0.727   97.619   97.619
LGA    G    10_H      G    10_B     0.221     0    0.141   0.141     0.723   97.619   97.619
LGA    L    11_H      L    11_B     0.116     0    0.025   0.596     1.449  100.000   95.357
LGA    V    12_H      V    12_B     0.292     0    0.048   0.270     1.081   97.619   95.986
LGA    Q    13_H      Q    13_B     0.224     0    0.033   1.366     4.190  100.000   81.429
LGA    A    14_H      A    14_B     0.312     0    0.022   0.025     0.450  100.000  100.000
LGA    G    15_H      G    15_B     0.224     0    0.130   0.130     0.525   97.619   97.619
LGA    G    16_H      G    16_B     0.246     0    0.029   0.029     0.424  100.000  100.000
LGA    S    17_H      S    17_B     0.266     0    0.043   0.190     0.464  100.000  100.000
LGA    L    18_H      L    18_B     0.321     0    0.023   0.359     1.750  100.000   90.893
LGA    R    19_H      R    19_B     0.521     0    0.045   2.028     7.446   97.619   68.139
LGA    L    20_H      L    20_B     0.282     0    0.066   0.323     1.120  100.000   96.488
LGA    S    21_H      S    21_B     0.238     0    0.034   0.252     0.847  100.000   98.413
LGA    C    22_H      C    22_B     0.148     0    0.025   0.151     0.796  100.000   98.413
LGA    A    23_H      A    23_B     0.350     0    0.030   0.030     0.462  100.000  100.000
LGA    A    24_H      A    24_B     0.485     0    0.026   0.033     0.768  100.000   98.095
LGA    S    25_H      S    25_B     0.234     0    0.042   0.228     0.873  100.000   98.413
LGA    G    26_H      G    26_B     0.343     0    0.098   0.098     0.475  100.000  100.000
LGA    F    27_H      F    27_B     0.145     0    0.023   0.089     0.309  100.000  100.000
LGA    I    28_H      I    28_B     0.396     0    0.027   1.310     2.947  100.000   83.929
LGA    F    29_H      F    29_B     0.507     0    0.051   0.207     0.807   97.619   95.671
LGA    H    30_H      H    30_B     0.338     0    0.048   0.214     1.544   97.619   88.952
LGA    N    31_H      N    31_B     0.551     0    0.036   0.198     0.974   92.857   91.667
LGA    F    32_H      F    32_B     0.541     0    0.092   0.395     1.579   92.857   88.918
LGA    D    33_H      D    33_B     0.741     0    0.063   0.518     1.641   88.214   86.012
LGA    M    34_H      M    34_B     0.638     0    0.041   0.277     0.871   95.238   92.857
LGA    G    35_H      G    35_B     0.540     0    0.029   0.029     0.568   90.476   90.476
LGA    W    36_H      W    36_B     0.544     0    0.051   0.088     0.722   90.476   97.279
LGA    Y    37_H      Y    37_B     0.653     0    0.049   0.260     1.902   90.476   83.849
LGA    R    38_H      R    38_B     0.460     0    0.008   0.406     1.614  100.000   91.645
LGA    Q    39_H      Q    39_B     0.731     0    0.106   0.393     2.325   90.476   82.804
LGA    A    40_H      A    40_B     0.939     0    0.069   0.084     0.939   90.476   90.476
LGA    P    41_H      P    41_B     1.058     0    0.069   0.353     1.222   90.595   86.667
LGA    G    42_H      G    42_B     1.145     0    0.238   0.238     1.258   81.429   81.429
LGA    K    43_H      K    43_B     1.020     0    0.054   0.924     5.451   85.952   73.122
LGA    E    44_H      E    44_B     0.543     0    0.058   1.300     5.942   90.476   67.037
LGA    R    45_H      R    45_B     0.587     0    0.077   1.167     4.385   90.476   71.645
LGA    E    46_H      E    46_B     0.627     0    0.070   0.882     3.152   90.476   81.058
LGA    F    47_H      F    47_B     0.403     0    0.039   0.076     0.714  100.000   95.671
LGA    V    48_H      V    48_B     0.410     0    0.035   0.076     0.424  100.000  100.000
LGA    A    49_H      A    49_B     0.388     0    0.023   0.030     0.678   97.619   96.190
LGA    A    50_H      A    50_B     0.621     0    0.101   0.137     1.154   97.619   94.381
LGA    I    51_H      I    51_B     0.297     0    0.035   0.435     0.794   97.619   95.238
LGA    S    52_H      S    52_B     0.588     0    0.048   0.056     1.111   95.238   92.143
LGA    D    53_H      D    53_B     0.251     0    0.151   0.277     1.034   95.357   91.786
LGA    N    54_H      N    54_B     0.723     0    0.309   0.516     2.339   84.167   87.321
LGA    G    55_H      G    55_B     0.391     0    0.041   0.041     0.457  100.000  100.000
LGA    R    56_H      R    56_B     0.724     0    0.023   1.146     3.152   90.476   81.126
LGA    S    57_H      S    57_B     0.437     0    0.012   0.138     0.510  100.000   98.413
LGA    T    58_H      T    58_B     0.198     0    0.081   0.266     0.669  100.000   97.279
LGA    Y    59_H      Y    59_B     0.563     0    0.072   1.261     8.715   97.619   58.413
LGA    Y    60_H      Y    60_B     0.340     0    0.035   0.057     0.678  100.000   96.032
LGA    A    61_H      A    61_B     0.311     0    0.058   0.059     0.400  100.000  100.000
LGA    D    62_H      D    62_B     0.336     0    0.092   0.248     0.718   97.619   96.429
LGA    S    63_H      S    63_B     0.658     0    0.163   0.550     3.067   97.619   86.984
LGA    V    64_H      V    64_B     0.223     0    0.019   0.087     0.456  100.000  100.000
LGA    K    65_H      K    65_B     0.295     0    0.021   0.816     4.028  100.000   88.889
LGA    G    66_H      G    66_B     0.382     0    0.134   0.134     0.918   97.619   97.619
LGA    R    67_H      R    67_B     0.255     0    0.044   0.585     1.751  100.000   95.801
LGA    F    68_H      F    68_B     0.147     0    0.068   0.239     0.785  100.000   96.537
LGA    T    69_H      T    69_B     0.202     0    0.032   0.036     0.353  100.000  100.000
LGA    I    70_H      I    70_B     0.289     0    0.071   0.205     0.409  100.000  100.000
LGA    S    71_H      S    71_B     0.469     0    0.025   0.221     1.029   95.238   92.143
LGA    R    72_H      R    72_B     0.354     0    0.022   0.390     2.109  100.000   90.909
LGA    D    73_H      D    73_B     0.166     0    0.057   0.217     0.737  100.000   98.810
LGA    N    74_H      N    74_B     0.273     0    0.083   1.076     2.635   97.619   88.869
LGA    A    75_H      A    75_B     0.213     0    0.016   0.028     0.306  100.000  100.000
LGA    K    76_H      K    76_B     0.153     0    0.030   0.568     1.728  100.000   93.810
LGA    N    77_H      N    77_B     0.104     0    0.076   0.382     1.675  100.000   94.226
LGA    T    78_H      T    78_B     0.127     0    0.023   1.171     2.709  100.000   88.844
LGA    V    79_H      V    79_B     0.143     0    0.029   0.039     0.195  100.000  100.000
LGA    Y    80_H      Y    80_B     0.180     0    0.014   0.119     0.379  100.000  100.000
LGA    L    81_H      L    81_B     0.198     0    0.047   0.087     0.381  100.000  100.000
LGA    Q    82_H      Q    82_B     0.193     0    0.041   0.820     2.571  100.000   89.101
LGA    M    83_H      M    83_B     0.317     0    0.022   0.138     0.659  100.000   97.619
LGA    N    84_H      N    84_B     0.354     0    0.029   0.178     0.521  100.000   98.810
LGA    S    85_H      S    85_B     0.241     0    0.065   0.653     2.059  100.000   94.127
LGA    L    86_H      L    86_B     0.224     0    0.087   0.339     1.206  100.000   97.679
LGA    K    87_H      K    87_B     0.299     0    0.055   0.792     2.096  100.000   87.989
LGA    P    88_H      P    88_B     0.451     0    0.098   0.361     0.986   97.619   94.558
LGA    E    89_H      E    89_B     0.138     0    0.067   0.610     1.560   97.619   91.746
LGA    D    90_H      D    90_B     0.318     0    0.046   0.287     0.981   97.619   96.429
LGA    T    91_H      T    91_B     0.171     0    0.032   0.121     0.396  100.000  100.000
LGA    A    92_H      A    92_B     0.221     0    0.022   0.030     0.334  100.000  100.000
LGA    V    93_H      V    93_B     0.359     0    0.040   0.150     0.542  100.000   98.639
LGA    Y    94_H      Y    94_B     0.226     0    0.042   0.116     0.302  100.000  100.000
LGA    Y    95_H      Y    95_B     0.565     0    0.071   0.215     1.694   90.476   85.992
LGA    C    96_H      C    96_B     0.895     0    0.054   0.738     1.599   88.214   84.524
LGA    A    97_H      A    97_B     0.130     0    0.104   0.147     0.767   97.619   96.190
LGA    V    98_H      V    98_B     1.395     0    0.031   0.075     2.811   73.452   68.639
LGA    A    99_H      A    99_B     2.809     0    0.063   0.062     3.706   54.167   57.905
LGA    W   100_H      W   100_B     6.532     0    0.149   0.993    14.603   19.524    6.224
LGA    L   101_H      L   101_B     3.910     0    0.645   1.190     5.892   41.905   36.488
LGA    S   102_H      S   102_B     5.909     0    0.461   0.574     9.432   14.762   17.063
LGA    I   103_H      I   103_B    10.846     0    0.030   0.306    13.673    1.190    0.595
LGA    P   104_H      P   104_B    16.725     0    0.173   0.394    18.985    0.000    0.000
LGA    D   105_H      D   105_B    17.379     0    0.024   1.159    22.922    0.000    0.000
LGA    L   106_H      L   106_B    13.798     0    0.645   0.560    14.681    0.000    0.000
LGA    A   107_H      A   107_B    14.329     0    0.027   0.030    16.427    0.000    0.000
LGA    E   108_H      E   108_B    12.265     0    0.229   0.546    18.388    0.000    0.000
LGA    W   109_H      W   109_B     7.558     0    0.284   1.154    16.943    6.429    2.177
LGA    Y   110_H      Y   110_B     7.885     0    0.630   1.158    18.563   10.238    3.532
LGA    D   111_H      D   111_B     5.768     0    0.057   0.272     9.173   28.333   17.976
LGA    Y   112_H      Y   112_B     1.069     0    0.555   1.210     2.938   81.786   77.579
LGA    W   113_H      W   113_B     0.380     0    0.049   0.292     1.557   97.619   88.707
LGA    G   114_H      G   114_B     0.267     0    0.018   0.018     0.306  100.000  100.000
LGA    Q   115_H      Q   115_B     0.355     0    0.018   0.709     2.614  100.000   89.101
LGA    G   116_H      G   116_B     0.159     0    0.020   0.020     0.394  100.000  100.000
LGA    T   117_H      T   117_B     0.241     0    0.116   0.138     0.519  100.000   98.639
LGA    Q   118_H      Q   118_B     0.496     0    0.083   1.065     2.874  100.000   85.185
LGA    V   119_H      V   119_B     0.266     0    0.032   0.215     0.903   97.619   97.279
LGA    T   120_H      T   120_B     0.487     0    0.100   0.242     1.075   97.619   94.626
LGA    V   121_H      V   121_B     0.331     0    0.062   0.219     1.097   97.619   94.626
LGA    S   122_H      S   122_B     0.599     0    0.039   0.784     3.119   95.238   86.905
LGA    S   123_H      S   123_B     0.262     0    0.548   0.562     1.882   90.833   90.714

# 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):     3.241          3.147                  4.061           87.837   83.435

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.01    91.870    87.035    10.280

LGA_LOCAL      RMSD:   1.009  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.519  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.241  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.948081 * X  +  -0.318029 * Y  +   0.000490 * Z  +  38.354881
  Y_new =  -0.295568 * X  +   0.881689 * Y  +   0.367783 * Z  + -20.485460
  Z_new =  -0.117397 * X  +   0.348543 * Y  +  -0.929912 * Z  + -29.889484 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.839387  0.117669  2.782986   [DEG: -162.6849    6.7419  159.4534 ]
ZXZ:  3.140261  2.764969 -0.324889   [DEG:  179.9237  158.4211  -18.6147 ]
 
# END of job
