
#######################################################
#                                                     #
#                        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       3.10     3.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.48     3.30
  LCS_AVERAGE:     71.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.86     3.41
  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     59  107  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     90  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     94  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     82  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    42_H     G    42_B    101  103  123     10  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     K    43_H     K    43_B    101  103  123     10  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     24  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     88  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     48  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V    98_H     V    98_B    101  103  123      7  106  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    7    9  109  112  112  112  113  114  116  116  118  118  119  119  120  120  121  122  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    4    4    6   12   60   82   99  113  114  115  117  117  117  119  120  120  121  121  122 
LCS_GDT     L   101_H     L   101_B    101  103  123      4    6   79  109  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S   102_H     S   102_B      6  103  123      4   15   28   48   72  104  113  113  115  116  117  118  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   40   52   66  110  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     P   104_H     P   104_B      6    7  123      4    6    6    6    7    9   17   21   26   39   50   56   73   89  105  115  118  121  122  122 
LCS_GDT     D   105_H     D   105_B      6    7  123      4    6    6    6    7    7    9   13   17   22   31   42   54   65   79   97  109  117  122  122 
LCS_GDT     L   106_H     L   106_B      6    7  123      4    6    9   13   17   27   39   49   66   79   88  105  118  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   44   57   71   95  106  111  117  120  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    9   13   21   36   45   61   94  110  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4    4    5   55   78  104  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4    6  123      3    3    4    7    9   11   46  101  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   13  123      3   15   35   61   95  110  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     42  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  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  113  113  115  116  117  118  118  119  119  120  120  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     96  108  110  110  112  112  113  113  115  116  117  118  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     96    108    110    110    112    112    113    113    115    116    117    118    118    119    119    120    120    121    122    122 
GDT PERCENT_AT  78.05  87.80  89.43  89.43  91.06  91.06  91.87  91.87  93.50  94.31  95.12  95.93  95.93  96.75  96.75  97.56  97.56  98.37  99.19  99.19
GDT RMS_LOCAL    0.30   0.37   0.41   0.41   0.60   0.60   0.98   0.82   1.38   1.40   1.88   1.90   1.90   2.14   1.98   2.21   2.21   2.46   3.05   2.77
GDT RMS_ALL_AT   3.40   3.41   3.40   3.40   3.40   3.40   3.31   3.36   3.24   3.25   3.16   3.17   3.17   3.14   3.18   3.14   3.14   3.12   3.10   3.11

# 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:  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     0.958     0    0.676   1.110     8.677   82.143   48.571
LGA    V     2_H      V     2_B     0.578     0    0.052   0.203     0.866   95.238   93.197
LGA    Q     3_H      Q     3_B     0.396     0    0.084   0.413     2.671   95.238   84.286
LGA    L     4_H      L     4_B     0.524     0    0.065   0.168     0.792   90.476   91.667
LGA    V     5_H      V     5_B     0.471     0    0.116   0.116     0.805   97.619   98.639
LGA    E     6_H      E     6_B     0.384     0    0.058   0.228     0.907   97.619   93.651
LGA    S     7_H      S     7_B     0.449     0    0.030   0.143     0.899   97.619   95.238
LGA    G     8_H      G     8_B     0.411     0    0.061   0.061     0.649   97.619   97.619
LGA    G     9_H      G     9_B     0.419     0    0.038   0.038     0.419  100.000  100.000
LGA    G    10_H      G    10_B     0.253     0    0.152   0.152     0.644   97.619   97.619
LGA    L    11_H      L    11_B     0.165     0    0.023   0.590     1.463  100.000   96.488
LGA    V    12_H      V    12_B     0.330     0    0.045   0.256     0.936   97.619   97.279
LGA    Q    13_H      Q    13_B     0.250     0    0.033   1.342     3.981   97.619   81.958
LGA    A    14_H      A    14_B     0.388     0    0.026   0.040     0.524  100.000   98.095
LGA    G    15_H      G    15_B     0.261     0    0.157   0.157     0.745   97.619   97.619
LGA    G    16_H      G    16_B     0.268     0    0.058   0.058     0.495  100.000  100.000
LGA    S    17_H      S    17_B     0.247     0    0.028   0.799     2.819  100.000   92.857
LGA    L    18_H      L    18_B     0.343     0    0.027   1.208     3.648  100.000   88.274
LGA    R    19_H      R    19_B     0.548     0    0.064   2.001     7.324   95.238   67.100
LGA    L    20_H      L    20_B     0.404     0    0.062   0.338     1.049   97.619   95.298
LGA    S    21_H      S    21_B     0.106     0    0.074   0.755     2.641   97.619   91.270
LGA    C    22_H      C    22_B     0.167     0    0.027   0.099     0.603  100.000   98.413
LGA    A    23_H      A    23_B     0.244     0    0.032   0.037     0.474  100.000  100.000
LGA    A    24_H      A    24_B     0.365     0    0.022   0.035     0.558  100.000   98.095
LGA    S    25_H      S    25_B     0.158     0    0.056   0.175     0.470  100.000  100.000
LGA    G    26_H      G    26_B     0.421     0    0.081   0.081     0.421  100.000  100.000
LGA    F    27_H      F    27_B     0.071     0    0.034   0.082     0.361  100.000  100.000
LGA    I    28_H      I    28_B     0.213     0    0.066   1.300     2.839   97.619   82.738
LGA    F    29_H      F    29_B     0.431     0    0.033   0.177     0.654  100.000   96.537
LGA    H    30_H      H    30_B     0.160     0    0.126   0.247     1.362   97.619   93.429
LGA    N    31_H      N    31_B     0.341     0    0.024   0.210     0.881   97.619   94.048
LGA    F    32_H      F    32_B     0.465     0    0.080   0.333     1.433   95.238   92.294
LGA    D    33_H      D    33_B     0.556     0    0.060   0.617     1.931   90.476   87.143
LGA    M    34_H      M    34_B     0.523     0    0.076   0.240     0.721   97.619   95.238
LGA    G    35_H      G    35_B     0.486     0    0.031   0.031     0.486  100.000  100.000
LGA    W    36_H      W    36_B     0.425     0    0.050   0.080     0.523   95.238   98.639
LGA    Y    37_H      Y    37_B     0.476     0    0.034   0.224     1.818  100.000   88.452
LGA    R    38_H      R    38_B     0.502     0    0.019   0.346     1.465   97.619   92.338
LGA    Q    39_H      Q    39_B     0.558     0    0.065   0.380     1.901   90.476   87.566
LGA    A    40_H      A    40_B     0.674     0    0.078   0.090     0.723   95.238   94.286
LGA    P    41_H      P    41_B     0.649     0    0.049   0.376     1.205   95.238   91.905
LGA    G    42_H      G    42_B     1.266     0    0.246   0.246     1.266   81.429   81.429
LGA    K    43_H      K    43_B     1.135     0    0.054   0.469     2.220   85.952   80.635
LGA    E    44_H      E    44_B     0.261     0    0.056   1.125     5.297   95.238   75.767
LGA    R    45_H      R    45_B     0.320     0    0.133   1.179     4.328   95.357   74.113
LGA    E    46_H      E    46_B     0.364     0    0.030   0.506     2.153  100.000   92.963
LGA    F    47_H      F    47_B     0.389     0    0.041   0.133     0.672  100.000   97.403
LGA    V    48_H      V    48_B     0.337     0    0.018   0.063     0.390  100.000  100.000
LGA    A    49_H      A    49_B     0.358     0    0.039   0.042     0.658   97.619   96.190
LGA    A    50_H      A    50_B     0.497     0    0.094   0.139     0.955   97.619   96.190
LGA    I    51_H      I    51_B     0.211     0    0.072   0.418     0.710   97.619   95.238
LGA    S    52_H      S    52_B     0.340     0    0.072   0.097     0.809  100.000   96.825
LGA    D    53_H      D    53_B     0.356     0    0.084   0.263     0.922   95.238   95.238
LGA    N    54_H      N    54_B     0.622     0    0.311   0.456     2.340   84.167   87.321
LGA    G    55_H      G    55_B     0.084     0    0.063   0.063     0.117  100.000  100.000
LGA    R    56_H      R    56_B     0.323     0    0.017   1.141     3.578  100.000   86.364
LGA    S    57_H      S    57_B     0.252     0    0.012   0.169     0.713  100.000   98.413
LGA    T    58_H      T    58_B     0.168     0    0.107   0.254     0.583   97.619   95.918
LGA    Y    59_H      Y    59_B     0.408     0    0.019   1.279     8.608  100.000   59.841
LGA    Y    60_H      Y    60_B     0.278     0    0.038   0.047     0.424  100.000  100.000
LGA    A    61_H      A    61_B     0.202     0    0.069   0.069     0.341  100.000  100.000
LGA    D    62_H      D    62_B     0.084     0    0.080   0.305     1.161   97.619   96.488
LGA    S    63_H      S    63_B     0.449     0    0.174   0.533     2.975  100.000   91.270
LGA    V    64_H      V    64_B     0.275     0    0.053   0.085     0.491  100.000  100.000
LGA    K    65_H      K    65_B     0.252     0    0.029   1.090     5.691  100.000   79.683
LGA    G    66_H      G    66_B     0.296     0    0.181   0.181     1.020   95.357   95.357
LGA    R    67_H      R    67_B     0.243     0    0.086   0.503     1.463   97.619   97.446
LGA    F    68_H      F    68_B     0.230     0    0.073   0.237     0.740  100.000   97.403
LGA    T    69_H      T    69_B     0.400     0    0.005   0.069     0.564   97.619   97.279
LGA    I    70_H      I    70_B     0.343     0    0.074   0.208     0.502  100.000   98.810
LGA    S    71_H      S    71_B     0.521     0    0.015   0.272     1.208   90.476   88.968
LGA    R    72_H      R    72_B     0.207     0    0.019   0.193     0.753  100.000   97.403
LGA    D    73_H      D    73_B     0.168     0    0.036   0.192     0.603  100.000   98.810
LGA    N    74_H      N    74_B     0.168     0    0.060   1.092     2.589  100.000   91.250
LGA    A    75_H      A    75_B     0.220     0    0.050   0.053     0.355  100.000  100.000
LGA    K    76_H      K    76_B     0.177     0    0.071   0.481     1.311  100.000   94.762
LGA    N    77_H      N    77_B     0.258     0    0.069   0.385     1.520  100.000   94.226
LGA    T    78_H      T    78_B     0.201     0    0.051   1.154     2.562  100.000   88.844
LGA    V    79_H      V    79_B     0.180     0    0.017   0.117     0.372  100.000  100.000
LGA    Y    80_H      Y    80_B     0.158     0    0.032   0.082     0.431  100.000  100.000
LGA    L    81_H      L    81_B     0.210     0    0.029   0.098     0.293  100.000  100.000
LGA    Q    82_H      Q    82_B     0.123     0    0.018   0.806     2.580  100.000   88.201
LGA    M    83_H      M    83_B     0.333     0    0.024   0.712     1.950  100.000   93.036
LGA    N    84_H      N    84_B     0.323     0    0.024   0.256     0.730  100.000   97.619
LGA    S    85_H      S    85_B     0.268     0    0.067   0.677     2.098  100.000   94.127
LGA    L    86_H      L    86_B     0.199     0    0.090   0.379     1.371  100.000   96.488
LGA    K    87_H      K    87_B     0.320     0    0.034   0.817     2.005  100.000   88.942
LGA    P    88_H      P    88_B     0.481     0    0.128   0.384     1.039  100.000   95.986
LGA    E    89_H      E    89_B     0.219     0    0.087   0.596     1.574  100.000   93.862
LGA    D    90_H      D    90_B     0.233     0    0.062   0.317     1.034  100.000   96.488
LGA    T    91_H      T    91_B     0.249     0    0.070   0.126     0.541  100.000   98.639
LGA    A    92_H      A    92_B     0.243     0    0.037   0.052     0.319  100.000  100.000
LGA    V    93_H      V    93_B     0.300     0    0.030   0.177     0.584  100.000   97.279
LGA    Y    94_H      Y    94_B     0.217     0    0.072   0.146     0.441  100.000  100.000
LGA    Y    95_H      Y    95_B     0.556     0    0.075   0.207     1.275   90.476   88.214
LGA    C    96_H      C    96_B     0.649     0    0.086   0.188     0.890   90.476   90.476
LGA    A    97_H      A    97_B     0.143     0    0.112   0.149     0.697   95.238   94.286
LGA    V    98_H      V    98_B     1.423     0    0.062   0.201     2.834   75.476   69.796
LGA    A    99_H      A    99_B     2.719     0    0.057   0.061     3.703   54.167   57.905
LGA    W   100_H      W   100_B     6.229     0    0.163   0.997    13.327   21.786    7.381
LGA    L   101_H      L   101_B     3.730     0    0.647   1.111     4.929   38.810   41.488
LGA    S   102_H      S   102_B     6.447     0    0.177   0.160    10.541   12.857   16.032
LGA    I   103_H      I   103_B    10.523     0    0.150   0.163    12.576    1.190    0.595
LGA    P   104_H      P   104_B    15.713     0    0.648   0.786    17.892    0.000    0.000
LGA    D   105_H      D   105_B    17.548     0    0.569   1.188    22.796    0.000    0.000
LGA    L   106_H      L   106_B    12.136     0    0.529   0.450    14.067    0.000    0.060
LGA    A   107_H      A   107_B    13.140     0    0.036   0.041    14.940    0.000    0.000
LGA    E   108_H      E   108_B    11.043     0    0.271   0.589    17.788    0.714    0.317
LGA    W   109_H      W   109_B     7.873     0    0.180   1.151    16.502    6.786    2.143
LGA    Y   110_H      Y   110_B     7.933     0    0.584   1.075    18.716    9.643    3.333
LGA    D   111_H      D   111_B     5.828     0    0.026   0.084     9.405   28.333   18.512
LGA    Y   112_H      Y   112_B     0.855     0    0.542   1.203     2.764   88.810   83.730
LGA    W   113_H      W   113_B     0.323     0    0.036   0.318     1.448  100.000   90.646
LGA    G   114_H      G   114_B     0.279     0    0.021   0.021     0.435  100.000  100.000
LGA    Q   115_H      Q   115_B     0.550     0    0.035   0.691     2.130   97.619   87.778
LGA    G   116_H      G   116_B     0.199     0    0.051   0.051     0.729   97.619   97.619
LGA    T   117_H      T   117_B     0.344     0    0.127   0.139     0.475  100.000  100.000
LGA    Q   118_H      Q   118_B     0.521     0    0.104   1.029     2.658   97.619   84.286
LGA    V   119_H      V   119_B     0.239     0    0.053   0.160     0.794  100.000   98.639
LGA    T   120_H      T   120_B     0.341     0    0.095   0.219     0.811   97.619   97.279
LGA    V   121_H      V   121_B     0.348     0    0.079   0.225     1.073   97.619   94.626
LGA    S   122_H      S   122_B     0.596     0    0.071   0.768     3.077   95.238   86.905
LGA    S   123_H      S   123_B     0.279     0    0.497   0.523     1.923   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):     3.101          3.040                  3.917           88.455   84.220

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    0.82    91.667    87.092    12.324

LGA_LOCAL      RMSD:   0.817  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.359  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.101  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.487791 * X  +  -0.759211 * Y  +   0.430881 * Z  +  35.352005
  Y_new =  -0.847100 * X  +   0.530913 * Y  +  -0.023517 * Z  + -19.662069
  Z_new =  -0.210906 * X  +  -0.376470 * Y  +  -0.902102 * Z  + -30.585840 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.093259  0.212502 -2.746240   [DEG: -119.9349   12.1755 -157.3480 ]
ZXZ:  1.516272  2.695413 -2.630937   [DEG:   86.8760  154.4358 -150.7416 ]
 
# END of job
