
#######################################################
#                                                     #
#                        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  124 (  971),  selected  124 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       3.51     3.51
  LCS_AVERAGE:     98.41

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.99     3.69
  LCS_AVERAGE:     69.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.93     3.86
  LCS_AVERAGE:     66.75

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     E     1_B     E     1_B    101  103  124      6   49  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V     2_B     V     2_B    101  103  124     39  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Q     3_B     Q     3_B    101  103  124     11  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L     4_B     L     4_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Q     5_B     Q     5_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     E     6_B     E     6_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S     7_B     S     7_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G     8_B     G     8_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G     9_B     G     9_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    10_B     G    10_B    101  103  124     71  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    11_B     L    11_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V    12_B     V    12_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Q    13_B     Q    13_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     P    14_B     P    14_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    15_B     G    15_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    16_B     G    16_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    17_B     S    17_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    18_B     L    18_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    19_B     R    19_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    20_B     L    20_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    21_B     S    21_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     C    22_B     C    22_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    23_B     A    23_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    24_B     A    24_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    25_B     S    25_B    101  103  124     70  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    26_B     G    26_B    101  103  124     15  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     F    27_B     F    27_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    28_B     R    28_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     F    29_B     F    29_B    101  103  124     50  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    30_B     S    30_B    101  103  124      8  103  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    31_B     S    31_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    32_B     Y    32_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     W    33_B     W    33_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     M    34_B     M    34_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    35_B     Y    35_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     W    36_B     W    36_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V    37_B     V    37_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    38_B     R    38_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Q    39_B     Q    39_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    40_B     A    40_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     P    41_B     P    41_B    101  103  124      5  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    42_B     G    42_B    101  103  124     63  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     K    43_B     K    43_B    101  103  124     65  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    44_B     G    44_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    45_B     L    45_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     E    46_B     E    46_B    101  103  124     37  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     W    47_B     W    47_B    101  103  124     21  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V    48_B     V    48_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    49_B     S    49_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    50_B     A    50_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     I    51_B     I    51_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     N    52_B     N    52_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    53_B     S    53_B    101  103  124     18  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    54_B     S    54_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    55_B     G    55_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    56_B     G    56_B    101  103  124      5   10   85  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    57_B     Y    57_B    101  103  124     70  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T    58_B     T    58_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    59_B     R    59_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    60_B     Y    60_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    61_B     A    61_B    101  103  124     73  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     D    62_B     D    62_B    101  103  124     71  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    63_B     S    63_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V    64_B     V    64_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     K    65_B     K    65_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G    66_B     G    66_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    67_B     R    67_B    101  103  124     73  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     F    68_B     F    68_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T    69_B     T    69_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     I    70_B     I    70_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    71_B     S    71_B    101  103  124     73  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    72_B     R    72_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     D    73_B     D    73_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     N    74_B     N    74_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    75_B     A    75_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     K    76_B     K    76_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     N    77_B     N    77_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T    78_B     T    78_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    79_B     L    79_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    80_B     Y    80_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    81_B     L    81_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Q    82_B     Q    82_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     M    83_B     M    83_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     N    84_B     N    84_B    101  103  124     44  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S    85_B     S    85_B    101  103  124     58  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L    86_B     L    86_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R    87_B     R    87_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    88_B     A    88_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     E    89_B     E    89_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     D    90_B     D    90_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T    91_B     T    91_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    92_B     A    92_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V    93_B     V    93_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    94_B     Y    94_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y    95_B     Y    95_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     C    96_B     C    96_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     A    97_B     A    97_B    101  103  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T    98_B     T    98_B    101  103  124     63  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     D    99_B     D    99_B    101  103  124      3   13  103  110  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S   100_B     S   100_B    101  103  124      3    3   14   35  110  111  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G   101_B     G   101_B    101  103  124      3    8   15   58   95  110  113  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     D   102_B     D   102_B      4  103  124      3    3    4    6    8    8   15   15   56   89  107  112  116  118  119  121  123  123  124  124 
LCS_GDT     G   103_B     G   103_B      4  103  124      3    4    8   12   16   21   22   25   31   36   38   96  108  114  119  121  123  123  124  124 
LCS_GDT     K   104_B     K   104_B      4    8  124      3    5    8   12   16   21   22   25   31   36   50   76  100  110  116  121  123  123  124  124 
LCS_GDT     R   105_B     R   105_B      4    8  124      3    4    8   12   16   21   22   25   31   36   38   44   81  104  115  119  123  123  124  124 
LCS_GDT     Y   106_B     Y   106_B      4    8  124      1    4    4    6   16   21   22   25   31   36   38   76  100  110  115  121  123  123  124  124 
LCS_GDT     W   107_B     W   107_B      3    5  124      3    3    3    5    6   13   21   41   57   70   89  106  114  118  119  121  123  123  124  124 
LCS_GDT     S   108_B     S   108_B      3    5  124      3    3    3    4    6    7    7   10   10   16   24   27   42   76  108  115  120  123  124  124 
LCS_GDT     G   109_B     G   109_B      3    5  124      3    3    3    4    6   10   15   22   37   55   65   76   92  104  112  118  123  123  124  124 
LCS_GDT     E   110_B     E   110_B      3   15  124      3    3    3    5    5   24   39   49   97  108  114  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y   111_B     Y   111_B     14   15  124      3    5   50   96  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     F   112_B     F   112_B     14   15  124     11   76  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Y   113_B     Y   113_B     14   15  124      4  101  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R   114_B     R   114_B     14   15  124     63  103  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     S   115_B     S   115_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     R   116_B     R   116_B     14   15  124     44  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G   117_B     G   117_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     Q   118_B     Q   118_B     14   15  124     44  103  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     G   119_B     G   119_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T   120_B     T   120_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     L   121_B     L   121_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V   122_B     V   122_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     T   123_B     T   123_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_GDT     V   124_B     V   124_B     14   15  124     77  104  109  111  112  113  114  115  115  115  115  115  116  118  119  121  123  123  124  124 
LCS_AVERAGE  LCS_A:  78.25  (  66.75   69.59   98.41 )

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     77    104    109    111    112    113    114    115    115    115    115    115    116    118    119    121    123    123    124    124 
GDT PERCENT_AT  61.11  82.54  86.51  88.10  88.89  89.68  90.48  91.27  91.27  91.27  91.27  91.27  92.06  93.65  94.44  96.03  97.62  97.62  98.41  98.41
GDT RMS_LOCAL    0.32   0.48   0.54   0.61   0.65   0.71   0.81   0.96   0.96   0.96   0.96   0.96   1.20   1.88   2.26   2.92   3.35   3.35   3.51   3.51
GDT RMS_ALL_AT   3.89   3.90   3.87   3.89   3.88   3.86   3.86   3.83   3.83   3.83   3.83   3.83   3.81   3.69   3.63   3.54   3.51   3.51   3.51   3.51

# Checking swapping
#   possible swapping detected:  F    27_B      F    27_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  F   112_B      F   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.394     0    0.513   0.941     7.347   70.833   46.931
LGA    V     2_B      V     2_B     1.373     0    0.084   0.216     1.720   81.548   80.272
LGA    Q     3_B      Q     3_B     1.299     0    0.138   0.639     3.086   83.690   69.894
LGA    L     4_B      L     4_B     0.566     0    0.058   0.429     1.826   95.238   91.845
LGA    Q     5_B      Q     5_B     0.297     0    0.033   0.993     3.828  100.000   78.730
LGA    E     6_B      E     6_B     0.139     0    0.078   0.135     0.349  100.000  100.000
LGA    S     7_B      S     7_B     0.443     0    0.087   0.727     2.432   97.619   90.952
LGA    G     8_B      G     8_B     0.211     0    0.093   0.093     0.584   97.619   97.619
LGA    G     9_B      G     9_B     0.135     0    0.032   0.032     1.050   95.357   95.357
LGA    G    10_B      G    10_B     0.577     0    0.039   0.039     0.577   97.619   97.619
LGA    L    11_B      L    11_B     0.210     0    0.085   0.360     1.102  100.000   96.488
LGA    V    12_B      V    12_B     0.408     0    0.033   0.148     0.737  100.000   98.639
LGA    Q    13_B      Q    13_B     0.428     0    0.023   1.063     3.291  100.000   89.206
LGA    P    14_B      P    14_B     0.376     0    0.015   0.070     0.674  100.000   98.639
LGA    G    15_B      G    15_B     0.120     0    0.156   0.156     0.728   97.619   97.619
LGA    G    16_B      G    16_B     0.478     0    0.056   0.056     0.701   95.238   95.238
LGA    S    17_B      S    17_B     0.513     0    0.085   0.643     1.524   92.857   89.127
LGA    L    18_B      L    18_B     0.360     0    0.043   1.346     3.302   97.619   84.643
LGA    R    19_B      R    19_B     0.405     0    0.168   1.019     4.174   97.619   81.818
LGA    L    20_B      L    20_B     0.132     0    0.075   1.141     2.648  100.000   90.238
LGA    S    21_B      S    21_B     0.381     0    0.038   0.180     0.792   97.619   95.238
LGA    C    22_B      C    22_B     0.360     0    0.073   0.158     0.636   97.619   96.825
LGA    A    23_B      A    23_B     0.174     0    0.083   0.092     0.573   97.619   98.095
LGA    A    24_B      A    24_B     0.397     0    0.050   0.071     0.700   97.619   96.190
LGA    S    25_B      S    25_B     0.810     0    0.652   0.590     3.380   80.476   82.302
LGA    G    26_B      G    26_B     0.681     0    0.137   0.137     1.138   88.214   88.214
LGA    F    27_B      F    27_B     0.575     0    0.044   0.373     0.945   90.476   92.208
LGA    R    28_B      R    28_B     0.508     0    0.062   1.316     7.269   95.238   60.996
LGA    F    29_B      F    29_B     0.782     0    0.028   0.478     2.196   90.476   84.113
LGA    S    30_B      S    30_B     0.934     0    0.159   0.223     1.571   86.071   84.524
LGA    S    31_B      S    31_B     0.568     0    0.088   0.599     1.617   92.857   89.127
LGA    Y    32_B      Y    32_B     0.676     0    0.057   0.303     1.548   90.476   87.540
LGA    W    33_B      W    33_B     0.593     0    0.036   0.214     2.413   95.238   79.422
LGA    M    34_B      M    34_B     0.587     0    0.066   1.050     4.227   95.238   82.857
LGA    Y    35_B      Y    35_B     0.297     0    0.062   1.383     7.578   97.619   64.008
LGA    W    36_B      W    36_B     0.461     0    0.041   0.177     1.211   97.619   91.939
LGA    V    37_B      V    37_B     0.461     0    0.123   1.166     2.913   92.976   84.830
LGA    R    38_B      R    38_B     0.315     0    0.015   0.980     2.689  100.000   93.636
LGA    Q    39_B      Q    39_B     0.115     0    0.060   0.168     1.010  100.000   95.820
LGA    A    40_B      A    40_B     0.309     0    0.058   0.073     0.468  100.000  100.000
LGA    P    41_B      P    41_B     1.138     0    0.011   0.026     1.786   81.548   80.340
LGA    G    42_B      G    42_B     1.096     0    0.019   0.019     1.169   81.429   81.429
LGA    K    43_B      K    43_B     0.983     0    0.053   0.208     1.239   90.476   85.450
LGA    G    44_B      G    44_B     0.586     0    0.096   0.096     0.975   90.476   90.476
LGA    L    45_B      L    45_B     0.512     0    0.017   1.180     3.341   90.476   80.000
LGA    E    46_B      E    46_B     0.801     0    0.051   0.263     1.540   88.214   83.492
LGA    W    47_B      W    47_B     0.736     0    0.048   1.172     8.339   95.238   49.388
LGA    V    48_B      V    48_B     0.320     0    0.083   0.077     0.479  100.000  100.000
LGA    S    49_B      S    49_B     0.338     0    0.042   0.225     1.137   97.619   95.317
LGA    A    50_B      A    50_B     0.632     0    0.045   0.048     1.035   92.857   90.571
LGA    I    51_B      I    51_B     0.467     0    0.058   0.089     0.642   92.857   94.048
LGA    N    52_B      N    52_B     0.566     0    0.019   0.094     1.030   90.476   89.345
LGA    S    53_B      S    53_B     0.715     0    0.121   0.534     1.345   95.238   90.635
LGA    S    54_B      S    54_B     0.367     0    0.067   0.068     1.011   92.976   92.143
LGA    G    55_B      G    55_B     0.581     0    0.762   0.762     2.397   86.429   86.429
LGA    G    56_B      G    56_B     2.317     0    0.149   0.149     2.317   75.357   75.357
LGA    Y    57_B      Y    57_B     0.772     0    0.191   1.404     7.847   90.595   60.079
LGA    T    58_B      T    58_B     0.395     0    0.099   1.040     2.231   95.238   85.850
LGA    R    59_B      R    59_B     0.359     0    0.049   1.109     4.466  100.000   80.433
LGA    Y    60_B      Y    60_B     0.086     0    0.099   0.271     1.033  100.000   97.659
LGA    A    61_B      A    61_B     0.462     0    0.082   0.083     0.551   97.619   98.095
LGA    D    62_B      D    62_B     0.558     0    0.030   0.281     1.934   95.238   89.524
LGA    S    63_B      S    63_B     0.334     0    0.133   0.131     0.825   97.619   95.238
LGA    V    64_B      V    64_B     0.279     0    0.161   0.164     1.023   97.619   93.265
LGA    K    65_B      K    65_B     0.217     0    0.054   0.799     3.469  100.000   89.683
LGA    G    66_B      G    66_B     0.455     0    0.072   0.072     0.629   97.619   97.619
LGA    R    67_B      R    67_B     0.543     0    0.058   1.463     8.970   97.619   62.121
LGA    F    68_B      F    68_B     0.295     0    0.114   0.215     0.954   97.619   98.268
LGA    T    69_B      T    69_B     0.316     0    0.083   0.127     0.599  100.000   98.639
LGA    I    70_B      I    70_B     0.213     0    0.022   0.091     0.430  100.000  100.000
LGA    S    71_B      S    71_B     0.485     0    0.026   0.061     0.850  100.000   96.825
LGA    R    72_B      R    72_B     0.300     0    0.052   1.002     2.523  100.000   86.797
LGA    D    73_B      D    73_B     0.085     0    0.099   0.423     1.485  100.000   96.488
LGA    N    74_B      N    74_B     0.106     0    0.063   0.889     2.197  100.000   93.274
LGA    A    75_B      A    75_B     0.093     0    0.021   0.024     0.163  100.000  100.000
LGA    K    76_B      K    76_B     0.314     0    0.020   0.717     4.714  100.000   83.704
LGA    N    77_B      N    77_B     0.399     0    0.035   0.363     1.819  100.000   94.226
LGA    T    78_B      T    78_B     0.588     0    0.127   1.087     2.731   92.857   84.558
LGA    L    79_B      L    79_B     0.245     0    0.047   0.096     0.953  100.000   96.429
LGA    Y    80_B      Y    80_B     0.297     0    0.056   0.145     1.336  100.000   92.183
LGA    L    81_B      L    81_B     0.201     0    0.033   0.187     0.792  100.000   98.810
LGA    Q    82_B      Q    82_B     0.253     0    0.016   0.833     3.385  100.000   84.974
LGA    M    83_B      M    83_B     0.455     0    0.018   0.563     1.256  100.000   92.976
LGA    N    84_B      N    84_B     0.665     0    0.697   0.834     3.574   78.810   81.310
LGA    S    85_B      S    85_B     0.590     0    0.093   0.129     0.886   95.238   95.238
LGA    L    86_B      L    86_B     0.346     0    0.064   0.310     0.884   97.619   97.619
LGA    R    87_B      R    87_B     0.352     0    0.119   0.942     2.246   97.619   86.667
LGA    A    88_B      A    88_B     0.182     0    0.080   0.091     0.337  100.000  100.000
LGA    E    89_B      E    89_B     0.259     0    0.011   0.963     3.350  100.000   83.598
LGA    D    90_B      D    90_B     0.198     0    0.007   0.044     0.236  100.000  100.000
LGA    T    91_B      T    91_B     0.245     0    0.050   0.061     0.388  100.000  100.000
LGA    A    92_B      A    92_B     0.209     0    0.028   0.034     0.238  100.000  100.000
LGA    V    93_B      V    93_B     0.064     0    0.027   0.176     0.587  100.000   98.639
LGA    Y    94_B      Y    94_B     0.174     0    0.074   0.134     0.477  100.000  100.000
LGA    Y    95_B      Y    95_B     0.468     0    0.040   0.277     0.814  100.000   96.825
LGA    C    96_B      C    96_B     0.539     0    0.186   0.600     1.322   92.857   89.048
LGA    A    97_B      A    97_B     0.294     0    0.063   0.066     0.397  100.000  100.000
LGA    T    98_B      T    98_B     0.666     0    0.095   1.103     2.571   90.595   82.109
LGA    D    99_B      D    99_B     2.243     0    0.505   0.746     4.063   68.810   57.024
LGA    S   100_B      S   100_B     4.034     0    0.716   0.841     8.600   43.452   31.667
LGA    G   101_B      G   101_B     5.575     0    0.262   0.262     9.542   15.119   15.119
LGA    D   102_B      D   102_B    11.119     0    0.221   0.456    15.361    1.190    0.595
LGA    G   103_B      G   103_B    14.698     0    0.540   0.540    15.674    0.000    0.000
LGA    K   104_B      K   104_B    16.301     0    0.177   0.587    22.224    0.000    0.000
LGA    R   105_B      R   105_B    16.717     0    0.665   1.286    18.057    0.000    0.000
LGA    Y   106_B      Y   106_B    15.759     0    0.636   1.201    26.573    0.000    0.000
LGA    W   107_B      W   107_B    12.018     0    0.597   1.438    13.669    0.000    0.000
LGA    S   108_B      S   108_B    14.010     0    0.155   0.205    14.465    0.000    0.000
LGA    G   109_B      G   109_B    13.353     0    0.045   0.045    13.465    0.000    0.000
LGA    E   110_B      E   110_B     7.774     0    0.341   1.504    10.949   16.548    9.101
LGA    Y   111_B      Y   111_B     3.183     0    0.556   1.379    11.277   47.619   23.571
LGA    F   112_B      F   112_B     1.833     0    0.087   0.394     3.917   71.071   61.861
LGA    Y   113_B      Y   113_B     1.065     0    0.327   1.452     8.693   81.548   52.937
LGA    R   114_B      R   114_B     0.707     0    0.157   1.143     3.450   90.476   74.329
LGA    S   115_B      S   115_B     0.273     0    0.054   0.688     2.761  100.000   92.857
LGA    R   116_B      R   116_B     0.900     0    0.089   1.235     5.260   92.857   64.459
LGA    G   117_B      G   117_B     0.425     0    0.110   0.110     0.690   95.238   95.238
LGA    Q   118_B      Q   118_B     0.964     0    0.034   1.377     7.822   92.857   56.984
LGA    G   119_B      G   119_B     0.199     0    0.060   0.060     0.223  100.000  100.000
LGA    T   120_B      T   120_B     0.339     0    0.015   1.031     2.966  100.000   87.483
LGA    L   121_B      L   121_B     0.183     0    0.035   0.215     1.078  100.000   96.488
LGA    V   122_B      V   122_B     0.282     0    0.008   0.156     0.781  100.000   98.639
LGA    T   123_B      T   123_B     0.443     0    0.095   0.507     1.850   97.619   90.748
LGA    V   124_B      V   124_B     0.087     0    0.020   0.043     0.347  100.000  100.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               126
SUMMARY(RMSD_GDC):     3.511          3.484                  4.264           85.336   78.977

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  126    4.0    115    0.96    89.484    84.695    10.830

LGA_LOCAL      RMSD:   0.962  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.830  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   3.511  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.657153 * X  +   0.208794 * Y  +   0.724261 * Z  + -34.777718
  Y_new =   0.481619 * X  +   0.622828 * Y  +  -0.616546 * Z  + -26.566195
  Z_new =  -0.579821 * X  +   0.753983 * Y  +   0.308735 * Z  + -124.274727 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.632458  0.618509  1.182152   [DEG:   36.2372   35.4380   67.7323 ]
ZXZ:  0.865563  1.256934 -0.655557   [DEG:   49.5931   72.0170  -37.5607 ]
 
# END of job
