
#######################################################
#                                                     #
#                        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       3.09     3.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       2.00     3.22
  LCS_AVERAGE:     72.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.93     3.39
  LCS_AVERAGE:     68.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_H     Q     1_B    101  104  123     44  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V     2_H     V     2_B    101  104  123     83  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     L     4_H     L     4_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V     5_H     V     5_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     E     6_H     E     6_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S     7_H     S     7_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G     8_H     G     8_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G     9_H     G     9_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    10_H     G    10_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     L    11_H     L    11_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V    12_H     V    12_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    14_H     A    14_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    15_H     G    15_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    16_H     G    16_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    17_H     S    17_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     L    18_H     L    18_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     R    19_H     R    19_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     L    20_H     L    20_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    21_H     S    21_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     C    22_H     C    22_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    23_H     A    23_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    24_H     A    24_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    25_H     S    25_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    26_H     G    26_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     F    27_H     F    27_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     I    28_H     I    28_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     F    29_H     F    29_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     H    30_H     H    30_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     N    31_H     N    31_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     F    32_H     F    32_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     D    33_H     D    33_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     M    34_H     M    34_B    101  104  123     85  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    35_H     G    35_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     W    36_H     W    36_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     R    38_H     R    38_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    40_H     A    40_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     P    41_H     P    41_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    42_H     G    42_B    101  104  123     16   97  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     K    43_H     K    43_B    101  104  123     23   97  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     E    44_H     E    44_B    101  104  123     93  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     R    45_H     R    45_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     E    46_H     E    46_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     F    47_H     F    47_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V    48_H     V    48_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    49_H     A    49_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    50_H     A    50_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     I    51_H     I    51_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    52_H     S    52_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     D    53_H     D    53_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     N    54_H     N    54_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    55_H     G    55_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     R    56_H     R    56_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    57_H     S    57_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     T    58_H     T    58_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    61_H     A    61_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     D    62_H     D    62_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    63_H     S    63_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V    64_H     V    64_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     K    65_H     K    65_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G    66_H     G    66_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     R    67_H     R    67_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     F    68_H     F    68_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     T    69_H     T    69_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     I    70_H     I    70_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    71_H     S    71_B    101  104  123     74  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     R    72_H     R    72_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     D    73_H     D    73_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     N    74_H     N    74_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    75_H     A    75_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     K    76_H     K    76_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     N    77_H     N    77_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     T    78_H     T    78_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V    79_H     V    79_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     L    81_H     L    81_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     M    83_H     M    83_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     N    84_H     N    84_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S    85_H     S    85_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     L    86_H     L    86_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     K    87_H     K    87_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     P    88_H     P    88_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     E    89_H     E    89_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     D    90_H     D    90_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     T    91_H     T    91_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    92_H     A    92_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V    93_H     V    93_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     C    96_H     C    96_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    97_H     A    97_B    101  104  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V    98_H     V    98_B    101  104  123      5  104  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     A    99_H     A    99_B    101  104  123      4    4    8   18  111  112  112  112  114  115  116  116  117  118  119  119  120  121  122  122 
LCS_GDT     W   100_H     W   100_B    101  104  123      3    4    5    5   10   34   58   91  108  113  114  116  117  117  119  119  120  120  122  122 
LCS_GDT     L   101_H     L   101_B    101  104  123      3    4   74  108  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S   102_H     S   102_B      4  104  123      3    4   24   50   79  108  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     I   103_H     I   103_B      4  104  123      3    4    4    6    7   30   38   49   63   73  113  117  117  118  119  119  120  121  122  122 
LCS_GDT     P   104_H     P   104_B      4  104  123      3    4    4    6    7   11   20   32   37   52   69   83   94  102  109  113  117  121  122  122 
LCS_GDT     D   105_H     D   105_B      4    6  123      3    4    4    6    7    8    9   14   16   21   34   45   56   66   77   93  108  116  121  122 
LCS_GDT     L   106_H     L   106_B      4    6  123      3    4    4    8   14   21   29   41   51   68   78   89   96  112  118  119  120  121  122  122 
LCS_GDT     A   107_H     A   107_B      4    6  123      3    4    4    5    7    8    9   14   29   36   44   63   74   99  109  113  120  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    4   12   17   30   44   49   66  100  113  117  117  118  119  119  120  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4   10   21   52   76  104  111  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4   14  123      3    3    5    5    8   26   44   96  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   14  123      3    3   35   57   85  110  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     63  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     87  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     94  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     90  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   14  123     53  107  110  110  111  112  113  113  114  115  116  117  117  118  119  119  120  121  122  122 
LCS_AVERAGE  LCS_A:  80.54  (  68.64   72.99  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     94    107    110    110    111    112    113    113    114    115    116    117    117    118    119    119    120    121    122    122 
GDT PERCENT_AT  76.42  86.99  89.43  89.43  90.24  91.06  91.87  91.87  92.68  93.50  94.31  95.12  95.12  95.93  96.75  96.75  97.56  98.37  99.19  99.19
GDT RMS_LOCAL    0.31   0.39   0.45   0.45   0.58   0.65   0.98   0.98   1.03   1.25   1.43   1.90   1.55   1.93   2.03   2.03   2.29   2.69   2.76   2.76
GDT RMS_ALL_AT   3.36   3.35   3.36   3.36   3.36   3.37   3.28   3.28   3.30   3.25   3.22   3.14   3.24   3.15   3.16   3.16   3.13   3.10   3.10   3.10

# 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:  E   108_H      E   108_B
#   possible swapping detected:  Y   112_H      Y   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.109     0    0.677   1.116     8.071   79.881   49.312
LGA    V     2_H      V     2_B     0.532     0    0.054   0.199     0.856   95.238   93.197
LGA    Q     3_H      Q     3_B     0.249     0    0.073   0.375     2.592   97.619   85.344
LGA    L     4_H      L     4_B     0.593     0    0.055   0.136     0.696   90.476   91.667
LGA    V     5_H      V     5_B     0.582     0    0.113   0.125     0.895   90.476   90.476
LGA    E     6_H      E     6_B     0.419     0    0.051   0.211     0.933   97.619   93.651
LGA    S     7_H      S     7_B     0.443     0    0.034   0.124     0.640   97.619   95.238
LGA    G     8_H      G     8_B     0.436     0    0.015   0.015     0.502   97.619   97.619
LGA    G     9_H      G     9_B     0.350     0    0.037   0.037     0.411  100.000  100.000
LGA    G    10_H      G    10_B     0.234     0    0.138   0.138     0.619   97.619   97.619
LGA    L    11_H      L    11_B     0.074     0    0.026   0.242     0.590  100.000   97.619
LGA    V    12_H      V    12_B     0.354     0    0.039   0.263     1.015  100.000   95.986
LGA    Q    13_H      Q    13_B     0.402     0    0.035   0.868     3.028   97.619   88.148
LGA    A    14_H      A    14_B     0.436     0    0.027   0.036     0.509  100.000   98.095
LGA    G    15_H      G    15_B     0.338     0    0.161   0.161     0.846   97.619   97.619
LGA    G    16_H      G    16_B     0.276     0    0.063   0.063     0.491  100.000  100.000
LGA    S    17_H      S    17_B     0.306     0    0.027   0.795     2.925  100.000   92.857
LGA    L    18_H      L    18_B     0.341     0    0.014   0.856     3.447  100.000   90.238
LGA    R    19_H      R    19_B     0.492     0    0.066   2.032     7.687  100.000   67.186
LGA    L    20_H      L    20_B     0.324     0    0.054   0.326     1.037   97.619   95.298
LGA    S    21_H      S    21_B     0.079     0    0.053   0.352     1.283  100.000   96.905
LGA    C    22_H      C    22_B     0.237     0    0.042   0.105     0.707  100.000   96.825
LGA    A    23_H      A    23_B     0.087     0    0.034   0.038     0.405  100.000  100.000
LGA    A    24_H      A    24_B     0.355     0    0.021   0.035     0.549  100.000   98.095
LGA    S    25_H      S    25_B     0.055     0    0.056   0.187     0.596  100.000   98.413
LGA    G    26_H      G    26_B     0.448     0    0.093   0.093     0.448  100.000  100.000
LGA    F    27_H      F    27_B     0.157     0    0.033   0.073     0.353  100.000  100.000
LGA    I    28_H      I    28_B     0.186     0    0.081   1.293     2.876   97.619   82.738
LGA    F    29_H      F    29_B     0.418     0    0.036   0.205     0.771  100.000   96.537
LGA    H    30_H      H    30_B     0.362     0    0.122   1.152     2.966   97.619   88.619
LGA    N    31_H      N    31_B     0.489     0    0.037   0.242     0.882   95.238   95.238
LGA    F    32_H      F    32_B     0.559     0    0.069   0.410     1.488   90.476   88.831
LGA    D    33_H      D    33_B     0.861     0    0.036   0.606     1.780   88.214   84.940
LGA    M    34_H      M    34_B     0.700     0    0.102   0.226     0.914   90.476   90.476
LGA    G    35_H      G    35_B     0.641     0    0.032   0.032     0.641   95.238   95.238
LGA    W    36_H      W    36_B     0.527     0    0.058   0.076     0.636   90.476   97.279
LGA    Y    37_H      Y    37_B     0.596     0    0.033   0.243     1.921   92.857   83.889
LGA    R    38_H      R    38_B     0.539     0    0.033   0.340     1.422   92.857   90.563
LGA    Q    39_H      Q    39_B     0.606     0    0.071   0.379     2.179   90.476   85.714
LGA    A    40_H      A    40_B     0.576     0    0.074   0.086     0.713   95.238   94.286
LGA    P    41_H      P    41_B     0.555     0    0.044   0.375     1.148   92.857   93.265
LGA    G    42_H      G    42_B     1.593     0    0.249   0.249     1.593   79.286   79.286
LGA    K    43_H      K    43_B     1.502     0    0.066   0.476     2.729   77.143   74.021
LGA    E    44_H      E    44_B     0.634     0    0.053   1.134     5.087   90.476   74.656
LGA    R    45_H      R    45_B     0.488     0    0.145   1.133     4.989   90.595   71.255
LGA    E    46_H      E    46_B     0.413     0    0.024   0.501     2.194  100.000   92.963
LGA    F    47_H      F    47_B     0.432     0    0.041   0.154     0.885  100.000   95.671
LGA    V    48_H      V    48_B     0.380     0    0.012   0.067     0.422  100.000  100.000
LGA    A    49_H      A    49_B     0.379     0    0.042   0.047     0.718   97.619   96.190
LGA    A    50_H      A    50_B     0.640     0    0.100   0.147     1.161   92.857   90.571
LGA    I    51_H      I    51_B     0.341     0    0.069   0.423     0.812   97.619   95.238
LGA    S    52_H      S    52_B     0.671     0    0.081   0.107     0.911   95.238   93.651
LGA    D    53_H      D    53_B     0.503     0    0.091   0.353     1.040   88.214   90.536
LGA    N    54_H      N    54_B     0.429     0    0.315   0.471     1.970   90.833   93.036
LGA    G    55_H      G    55_B     0.352     0    0.063   0.063     0.484  100.000  100.000
LGA    R    56_H      R    56_B     0.383     0    0.015   1.149     4.009  100.000   85.931
LGA    S    57_H      S    57_B     0.464     0    0.022   0.141     0.533  100.000   98.413
LGA    T    58_H      T    58_B     0.164     0    0.120   0.291     0.538   97.619   97.279
LGA    Y    59_H      Y    59_B     0.518     0    0.016   1.316     8.371   97.619   59.524
LGA    Y    60_H      Y    60_B     0.418     0    0.042   0.056     0.686   97.619   96.032
LGA    A    61_H      A    61_B     0.302     0    0.075   0.076     0.474  100.000  100.000
LGA    D    62_H      D    62_B     0.174     0    0.072   0.348     1.152   97.619   96.488
LGA    S    63_H      S    63_B     0.490     0    0.179   0.544     2.987  100.000   91.270
LGA    V    64_H      V    64_B     0.256     0    0.046   0.091     0.472  100.000  100.000
LGA    K    65_H      K    65_B     0.300     0    0.027   0.845     4.347  100.000   86.878
LGA    G    66_H      G    66_B     0.443     0    0.188   0.188     1.042   92.976   92.976
LGA    R    67_H      R    67_B     0.386     0    0.104   0.523     1.292   97.619   95.714
LGA    F    68_H      F    68_B     0.219     0    0.068   0.239     0.813   97.619   96.537
LGA    T    69_H      T    69_B     0.414     0    0.022   0.093     0.776   97.619   95.918
LGA    I    70_H      I    70_B     0.340     0    0.077   0.221     0.557  100.000   98.810
LGA    S    71_H      S    71_B     0.526     0    0.026   0.147     0.950   90.476   90.476
LGA    R    72_H      R    72_B     0.217     0    0.015   0.216     0.996  100.000   96.537
LGA    D    73_H      D    73_B     0.137     0    0.035   0.192     0.481  100.000  100.000
LGA    N    74_H      N    74_B     0.282     0    0.052   1.100     2.610  100.000   90.060
LGA    A    75_H      A    75_B     0.305     0    0.040   0.044     0.408  100.000  100.000
LGA    K    76_H      K    76_B     0.186     0    0.075   0.524     1.251  100.000   94.762
LGA    N    77_H      N    77_B     0.242     0    0.065   0.343     1.328  100.000   95.298
LGA    T    78_H      T    78_B     0.285     0    0.061   1.175     2.557  100.000   88.844
LGA    V    79_H      V    79_B     0.264     0    0.033   0.946     2.238  100.000   91.088
LGA    Y    80_H      Y    80_B     0.210     0    0.033   0.119     0.552  100.000   99.206
LGA    L    81_H      L    81_B     0.220     0    0.029   0.113     0.375  100.000  100.000
LGA    Q    82_H      Q    82_B     0.069     0    0.031   0.762     2.342  100.000   89.048
LGA    M    83_H      M    83_B     0.377     0    0.027   0.636     1.619  100.000   91.905
LGA    N    84_H      N    84_B     0.430     0    0.025   0.203     0.661  100.000   97.619
LGA    S    85_H      S    85_B     0.315     0    0.073   0.680     2.089  100.000   94.127
LGA    L    86_H      L    86_B     0.170     0    0.085   0.376     1.377  100.000   96.488
LGA    K    87_H      K    87_B     0.255     0    0.035   0.799     1.895  100.000   89.841
LGA    P    88_H      P    88_B     0.437     0    0.120   0.379     1.070  100.000   95.986
LGA    E    89_H      E    89_B     0.267     0    0.084   0.563     1.554  100.000   92.804
LGA    D    90_H      D    90_B     0.275     0    0.065   0.315     0.951  100.000   97.619
LGA    T    91_H      T    91_B     0.312     0    0.069   0.124     0.594  100.000   98.639
LGA    A    92_H      A    92_B     0.299     0    0.042   0.058     0.359  100.000  100.000
LGA    V    93_H      V    93_B     0.342     0    0.037   0.179     0.624  100.000   97.279
LGA    Y    94_H      Y    94_B     0.280     0    0.069   0.142     0.502  100.000   99.206
LGA    Y    95_H      Y    95_B     0.609     0    0.075   0.196     1.243   90.476   88.214
LGA    C    96_H      C    96_B     0.701     0    0.083   0.168     0.930   90.476   90.476
LGA    A    97_H      A    97_B     0.207     0    0.099   0.130     0.836   95.238   94.286
LGA    V    98_H      V    98_B     1.555     0    0.054   0.110     3.124   67.262   64.082
LGA    A    99_H      A    99_B     3.334     0    0.057   0.056     4.054   48.810   50.476
LGA    W   100_H      W   100_B     6.836     0    0.192   0.788    14.700   17.381    5.204
LGA    L   101_H      L   101_B     3.735     0    0.641   1.156     4.623   37.381   40.060
LGA    S   102_H      S   102_B     5.933     0    0.451   0.395     8.936   15.714   17.063
LGA    I   103_H      I   103_B    10.463     0    0.339   0.311    13.950    0.714    0.357
LGA    P   104_H      P   104_B    13.464     0    0.635   0.823    15.131    0.000    0.000
LGA    D   105_H      D   105_B    17.208     0    0.569   1.027    21.911    0.000    0.000
LGA    L   106_H      L   106_B    12.575     0    0.632   0.534    14.197    0.000    0.000
LGA    A   107_H      A   107_B    13.203     0    0.048   0.056    14.989    0.000    0.000
LGA    E   108_H      E   108_B    10.888     0    0.253   0.859    19.068    0.714    0.317
LGA    W   109_H      W   109_B     7.803     0    0.159   1.073    16.764    6.786    2.279
LGA    Y   110_H      Y   110_B     7.757     0    0.606   1.080    18.595   11.190    3.849
LGA    D   111_H      D   111_B     5.687     0    0.039   0.401     8.974   28.333   18.452
LGA    Y   112_H      Y   112_B     0.849     0    0.554   1.169     2.558   84.048   81.270
LGA    W   113_H      W   113_B     0.505     0    0.034   0.326     1.620   95.238   87.415
LGA    G   114_H      G   114_B     0.459     0    0.025   0.025     0.596   95.238   95.238
LGA    Q   115_H      Q   115_B     0.704     0    0.031   0.747     2.226   92.857   86.667
LGA    G   116_H      G   116_B     0.274     0    0.059   0.059     0.820   97.619   97.619
LGA    T   117_H      T   117_B     0.394     0    0.127   0.138     0.557   97.619   97.279
LGA    Q   118_H      Q   118_B     0.597     0    0.105   1.042     2.773   95.238   83.175
LGA    V   119_H      V   119_B     0.172     0    0.061   0.173     0.805   97.619   97.279
LGA    T   120_H      T   120_B     0.241     0    0.072   0.227     0.743   97.619   97.279
LGA    V   121_H      V   121_B     0.353     0    0.059   0.218     1.066   97.619   94.626
LGA    S   122_H      S   122_B     0.644     0    0.064   0.786     3.157   92.857   85.317
LGA    S   123_H      S   123_B     0.846     0    0.543   0.764     2.701   84.048   80.635

# 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):     3.093          3.042                  3.945           87.410   83.412

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    0.98    91.260    87.138    10.429

LGA_LOCAL      RMSD:   0.983  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.283  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.093  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.051465 * X  +  -0.201095 * Y  +   0.978219 * Z  +  37.521122
  Y_new =  -0.347040 * X  +  -0.922075 * Y  +  -0.171295 * Z  + -21.078556
  Z_new =   0.936437 * X  +  -0.330665 * Y  +  -0.117242 * Z  + -30.103708 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.423573 -1.212334 -1.911532   [DEG:  -81.5647  -69.4616 -109.5227 ]
ZXZ:  1.397445  1.688309  1.910239   [DEG:   80.0677   96.7330  109.4486 ]
 
# END of job
