
#######################################################
#                                                     #
#                        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       3.05     3.05
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.44     3.24
  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     3.35
  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     60  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     86  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     94  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     73  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     81  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    42_H     G    42_B    101  103  123      9  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    43_H     K    43_B    101  103  123      9  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     22  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     87  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     94  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     48  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    98_H     V    98_B    101  103  123      7  107  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    5    9  111  112  112  112  114  114  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    4    5    6   12   50   89  104  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   81  109  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S   102_H     S   102_B      6  103  123      4    6   33   53   79  110  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     I   103_H     I   103_B      6  103  123      4    6    6    6    7    7   40   54   67  112  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     P   104_H     P   104_B      6    7  123      4    6    6    6    8    9   17   21   28   44   54   63   82  103  111  116  121  121  122  122 
LCS_GDT     D   105_H     D   105_B      6    7  123      4    6    6    6    7    7   11   14   21   29   39   49   62   71   84   98  111  118  122  122 
LCS_GDT     L   106_H     L   106_B      6    7  123      4    6    9   14   18   27   40   52   67   81   91  106  119  119  119  120  121  121  122  122 
LCS_GDT     A   107_H     A   107_B      4    7  123      3    4    4    5    7    7   10   20   26   46   60   73   98  108  113  120  121  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    9   14   22   39   47   63   95  112  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4    4    5   54   78  105  113  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4    6  123      3    3    4    7   10   13   47   98  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   13  123      3    3   35   61   96  110  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     53  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     94  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     93  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     95  109  110  111  112  112  113  114  114  116  117  118  119  119  119  120  121  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    109    110    111    112    112    113    114    114    116    117    118    119    119    119    120    121    121    122    122 
GDT PERCENT_AT  77.24  88.62  89.43  90.24  91.06  91.06  91.87  92.68  92.68  94.31  95.12  95.93  96.75  96.75  96.75  97.56  98.37  98.37  99.19  99.19
GDT RMS_LOCAL    0.32   0.40   0.42   0.48   0.59   0.59   0.96   0.99   0.99   1.39   1.85   1.87   2.10   2.10   1.95   2.18   2.66   2.43   2.99   2.99
GDT RMS_ALL_AT   3.34   3.33   3.34   3.35   3.34   3.34   3.25   3.26   3.26   3.19   3.10   3.11   3.08   3.08   3.12   3.09   3.05   3.07   3.05   3.05

# 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     0.773     0    0.677   1.113     8.753   84.048   48.571
LGA    V     2_H      V     2_B     0.525     0    0.049   0.201     0.800   95.238   93.197
LGA    Q     3_H      Q     3_B     0.317     0    0.077   0.407     2.694   97.619   84.444
LGA    L     4_H      L     4_B     0.589     0    0.069   0.144     0.755   90.476   90.476
LGA    V     5_H      V     5_B     0.572     0    0.126   0.130     0.939   90.476   91.837
LGA    E     6_H      E     6_B     0.432     0    0.046   0.217     0.897   95.238   92.593
LGA    S     7_H      S     7_B     0.482     0    0.036   0.087     0.668  100.000   96.825
LGA    G     8_H      G     8_B     0.457     0    0.072   0.072     0.753   97.619   97.619
LGA    G     9_H      G     9_B     0.302     0    0.030   0.030     0.615   97.619   97.619
LGA    G    10_H      G    10_B     0.323     0    0.157   0.157     0.701   97.619   97.619
LGA    L    11_H      L    11_B     0.091     0    0.021   0.596     1.455  100.000   96.488
LGA    V    12_H      V    12_B     0.327     0    0.050   0.286     1.068   97.619   95.986
LGA    Q    13_H      Q    13_B     0.319     0    0.035   1.354     4.175   97.619   82.063
LGA    A    14_H      A    14_B     0.484     0    0.029   0.037     0.614  100.000   98.095
LGA    G    15_H      G    15_B     0.309     0    0.159   0.159     0.770   97.619   97.619
LGA    G    16_H      G    16_B     0.277     0    0.057   0.057     0.497  100.000  100.000
LGA    S    17_H      S    17_B     0.206     0    0.026   0.791     2.760  100.000   92.857
LGA    L    18_H      L    18_B     0.294     0    0.041   0.336     1.717  100.000   90.893
LGA    R    19_H      R    19_B     0.473     0    0.071   1.996     7.392  100.000   69.091
LGA    L    20_H      L    20_B     0.366     0    0.067   0.350     1.093   97.619   95.298
LGA    S    21_H      S    21_B     0.147     0    0.035   0.228     0.811  100.000   98.413
LGA    C    22_H      C    22_B     0.237     0    0.034   0.087     0.748  100.000   96.825
LGA    A    23_H      A    23_B     0.197     0    0.028   0.035     0.450  100.000  100.000
LGA    A    24_H      A    24_B     0.394     0    0.022   0.036     0.616  100.000   98.095
LGA    S    25_H      S    25_B     0.173     0    0.056   0.207     0.572  100.000   98.413
LGA    G    26_H      G    26_B     0.471     0    0.077   0.077     0.471  100.000  100.000
LGA    F    27_H      F    27_B     0.145     0    0.034   0.074     0.311  100.000  100.000
LGA    I    28_H      I    28_B     0.314     0    0.061   1.292     2.846   97.619   82.738
LGA    F    29_H      F    29_B     0.521     0    0.032   0.195     0.755   97.619   94.805
LGA    H    30_H      H    30_B     0.243     0    0.114   0.181     1.083   97.619   93.429
LGA    N    31_H      N    31_B     0.362     0    0.015   0.187     0.771   95.238   94.048
LGA    F    32_H      F    32_B     0.519     0    0.085   0.382     1.587   92.857   88.918
LGA    D    33_H      D    33_B     0.713     0    0.047   0.601     1.971   88.214   86.012
LGA    M    34_H      M    34_B     0.719     0    0.092   0.271     0.992   92.857   92.857
LGA    G    35_H      G    35_B     0.588     0    0.028   0.028     0.588   97.619   97.619
LGA    W    36_H      W    36_B     0.537     0    0.056   0.080     0.648   90.476   97.279
LGA    Y    37_H      Y    37_B     0.589     0    0.043   0.262     2.198   92.857   83.214
LGA    R    38_H      R    38_B     0.549     0    0.021   0.341     1.488   95.238   90.606
LGA    Q    39_H      Q    39_B     0.636     0    0.063   0.362     1.988   90.476   86.614
LGA    A    40_H      A    40_B     0.697     0    0.074   0.087     0.733   90.476   90.476
LGA    P    41_H      P    41_B     0.689     0    0.042   0.373     1.162   92.857   90.544
LGA    G    42_H      G    42_B     1.274     0    0.240   0.240     1.274   81.429   81.429
LGA    K    43_H      K    43_B     1.162     0    0.054   0.474     2.291   83.690   79.630
LGA    E    44_H      E    44_B     0.390     0    0.054   1.126     5.101   92.857   74.709
LGA    R    45_H      R    45_B     0.410     0    0.149   1.131     4.219   95.357   74.242
LGA    E    46_H      E    46_B     0.438     0    0.021   0.474     2.049  100.000   92.963
LGA    F    47_H      F    47_B     0.441     0    0.044   0.099     0.758  100.000   94.805
LGA    V    48_H      V    48_B     0.385     0    0.018   0.061     0.412  100.000  100.000
LGA    A    49_H      A    49_B     0.405     0    0.040   0.043     0.642   97.619   96.190
LGA    A    50_H      A    50_B     0.603     0    0.094   0.141     1.097   92.857   90.571
LGA    I    51_H      I    51_B     0.237     0    0.074   0.422     0.791   97.619   95.238
LGA    S    52_H      S    52_B     0.474     0    0.076   0.105     0.895  100.000   96.825
LGA    D    53_H      D    53_B     0.390     0    0.082   0.285     0.998   95.238   95.238
LGA    N    54_H      N    54_B     0.680     0    0.314   0.468     2.365   84.167   87.321
LGA    G    55_H      G    55_B     0.174     0    0.065   0.065     0.206  100.000  100.000
LGA    R    56_H      R    56_B     0.423     0    0.019   1.141     3.428  100.000   86.970
LGA    S    57_H      S    57_B     0.358     0    0.010   0.153     0.533  100.000   98.413
LGA    T    58_H      T    58_B     0.163     0    0.116   0.263     0.529   97.619   98.639
LGA    Y    59_H      Y    59_B     0.543     0    0.020   1.277     8.683   97.619   58.413
LGA    Y    60_H      Y    60_B     0.350     0    0.037   0.046     0.495  100.000  100.000
LGA    A    61_H      A    61_B     0.266     0    0.070   0.070     0.415  100.000  100.000
LGA    D    62_H      D    62_B     0.104     0    0.073   0.329     1.192   97.619   96.488
LGA    S    63_H      S    63_B     0.569     0    0.179   0.534     3.051   97.619   86.984
LGA    V    64_H      V    64_B     0.300     0    0.049   0.092     0.515  100.000   98.639
LGA    K    65_H      K    65_B     0.315     0    0.031   0.846     4.432  100.000   85.926
LGA    G    66_H      G    66_B     0.374     0    0.174   0.174     1.011   95.357   95.357
LGA    R    67_H      R    67_B     0.317     0    0.084   0.503     1.423   97.619   96.580
LGA    F    68_H      F    68_B     0.220     0    0.061   0.212     0.666  100.000   98.268
LGA    T    69_H      T    69_B     0.371     0    0.011   0.057     0.588  100.000   97.279
LGA    I    70_H      I    70_B     0.312     0    0.075   0.215     0.511  100.000   98.810
LGA    S    71_H      S    71_B     0.482     0    0.017   0.256     1.084   95.238   92.143
LGA    R    72_H      R    72_B     0.135     0    0.015   0.232     1.033  100.000   94.892
LGA    D    73_H      D    73_B     0.167     0    0.037   0.187     0.579  100.000   98.810
LGA    N    74_H      N    74_B     0.234     0    0.066   1.082     2.622  100.000   90.060
LGA    A    75_H      A    75_B     0.251     0    0.054   0.058     0.373  100.000  100.000
LGA    K    76_H      K    76_B     0.126     0    0.080   0.301     1.153  100.000   95.820
LGA    N    77_H      N    77_B     0.314     0    0.076   0.358     1.593  100.000   94.226
LGA    T    78_H      T    78_B     0.266     0    0.065   1.158     2.551  100.000   88.844
LGA    V    79_H      V    79_B     0.266     0    0.031   0.981     2.361  100.000   89.932
LGA    Y    80_H      Y    80_B     0.204     0    0.037   0.114     0.448  100.000  100.000
LGA    L    81_H      L    81_B     0.210     0    0.032   0.112     0.323  100.000  100.000
LGA    Q    82_H      Q    82_B     0.090     0    0.020   0.804     2.501  100.000   88.201
LGA    M    83_H      M    83_B     0.293     0    0.021   0.701     2.082  100.000   93.214
LGA    N    84_H      N    84_B     0.382     0    0.022   0.245     0.731  100.000   97.619
LGA    S    85_H      S    85_B     0.341     0    0.066   0.674     2.144  100.000   94.127
LGA    L    86_H      L    86_B     0.238     0    0.093   0.391     1.379  100.000   96.488
LGA    K    87_H      K    87_B     0.412     0    0.033   0.807     2.029  100.000   88.942
LGA    P    88_H      P    88_B     0.583     0    0.123   0.381     0.994   95.238   93.197
LGA    E    89_H      E    89_B     0.208     0    0.079   0.556     1.373  100.000   94.815
LGA    D    90_H      D    90_B     0.223     0    0.063   0.319     1.085  100.000   96.488
LGA    T    91_H      T    91_B     0.253     0    0.072   0.129     0.567  100.000   98.639
LGA    A    92_H      A    92_B     0.246     0    0.039   0.055     0.337  100.000  100.000
LGA    V    93_H      V    93_B     0.371     0    0.028   0.177     0.664  100.000   97.279
LGA    Y    94_H      Y    94_B     0.260     0    0.072   0.150     0.429  100.000  100.000
LGA    Y    95_H      Y    95_B     0.664     0    0.073   0.214     1.415   90.476   88.214
LGA    C    96_H      C    96_B     0.733     0    0.082   0.169     0.932   90.476   90.476
LGA    A    97_H      A    97_B     0.191     0    0.108   0.141     0.732   95.238   94.286
LGA    V    98_H      V    98_B     1.485     0    0.075   0.122     2.825   73.452   68.639
LGA    A    99_H      A    99_B     2.749     0    0.060   0.057     3.629   54.167   57.905
LGA    W   100_H      W   100_B     6.244     0    0.191   0.935    13.605   22.976    7.517
LGA    L   101_H      L   101_B     3.490     0    0.652   1.114     5.377   43.571   41.726
LGA    S   102_H      S   102_B     5.951     0    0.154   0.139    10.108   15.833   18.651
LGA    I   103_H      I   103_B    10.049     0    0.103   0.193    12.285    1.786    0.952
LGA    P   104_H      P   104_B    14.999     0    0.143   0.420    17.133    0.000    0.000
LGA    D   105_H      D   105_B    17.117     0    0.626   1.030    21.134    0.000    0.000
LGA    L   106_H      L   106_B    11.790     0    0.553   0.456    13.671    0.000    0.179
LGA    A   107_H      A   107_B    12.905     0    0.033   0.036    14.729    0.000    0.000
LGA    E   108_H      E   108_B    10.728     0    0.251   0.591    17.413    0.714    0.317
LGA    W   109_H      W   109_B     7.713     0    0.166   1.135    16.882    6.786    2.143
LGA    Y   110_H      Y   110_B     7.738     0    0.582   1.083    18.528   11.190    3.849
LGA    D   111_H      D   111_B     5.644     0    0.024   0.186     9.056   28.333   18.512
LGA    Y   112_H      Y   112_B     0.926     0    0.545   1.182     2.822   84.048   80.675
LGA    W   113_H      W   113_B     0.447     0    0.034   0.331     1.589  100.000   89.388
LGA    G   114_H      G   114_B     0.387     0    0.022   0.022     0.582   97.619   97.619
LGA    Q   115_H      Q   115_B     0.692     0    0.036   0.670     1.875   90.476   86.508
LGA    G   116_H      G   116_B     0.172     0    0.049   0.049     0.718   97.619   97.619
LGA    T   117_H      T   117_B     0.318     0    0.125   0.138     0.513   97.619   98.639
LGA    Q   118_H      Q   118_B     0.580     0    0.108   1.051     2.727   97.619   83.280
LGA    V   119_H      V   119_B     0.198     0    0.062   0.183     0.847   97.619   97.279
LGA    T   120_H      T   120_B     0.330     0    0.093   0.213     0.859   97.619   97.279
LGA    V   121_H      V   121_B     0.358     0    0.082   0.232     1.111   97.619   94.626
LGA    S   122_H      S   122_B     0.551     0    0.083   0.773     3.210   97.619   88.492
LGA    S   123_H      S   123_B     0.284     0    0.493   0.518     1.674   90.833   87.698

# 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):     3.045          2.990                  3.867           88.004   83.758

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    0.99    92.276    87.252    10.494

LGA_LOCAL      RMSD:   0.986  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.262  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.045  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.072219 * X  +  -0.687049 * Y  +   0.723013 * Z  +  36.339035
  Y_new =  -0.981335 * X  +  -0.080592 * Y  +  -0.174605 * Z  + -19.798210
  Z_new =   0.178232 * X  +  -0.722128 * Y  +  -0.668405 * Z  + -28.689068 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.644257 -0.179189 -2.317579   [DEG:  -94.2090  -10.2668 -132.7875 ]
ZXZ:  1.333837  2.302858  2.899614   [DEG:   76.4232  131.9441  166.1357 ]
 
# END of job
