
#######################################################
#                                                     #
#                        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  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , 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:   126       1_B - 126_B       2.63     2.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.67     2.66
  LCS_AVERAGE:     69.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.82     2.77
  LCS_AVERAGE:     66.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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  126     50  110  112  113  115  116  116  116  117  119  119  120  121  123  124  125  126  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     75  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     90  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     75  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      4   93  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     92  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  103  126      4   38  107  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  103  126      4    4   23   34   45  102  111  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      4   21   51   99  110  114  115  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     D   102_B     D   102_B      3  103  126      3    5   10   26   53   84  107  113  116  118  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  103  126      3    6    9   11   16   24   29   36   42   54   91  118  122  123  124  125  126  126  126  126 
LCS_GDT     K   104_B     K   104_B      5    9  126      3    6    9   11   16   24   29   37   51  100  114  118  122  123  124  125  126  126  126  126 
LCS_GDT     R   105_B     R   105_B      5    9  126      3    6    9   11   16   24   31   56   93  109  115  119  122  123  124  125  126  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5    9  126      1    5    5    8   16   53   81  102  112  116  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     W   107_B     W   107_B      5    9  126      3    5    5   27   41   63   91  108  115  118  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S   108_B     S   108_B      4    9  126      3    4    4    7    9   10   11   11   16   21  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      3   20  104  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     E   110_B     E   110_B      8   18  126      3    4    9   16   27   73  102  114  117  119  119  119  119  120  121  123  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      8   18  126      5   25   53   81  111  116  116  116  117  119  119  119  121  122  123  125  126  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      5   45  107  113  115  116  116  116  117  119  119  120  121  122  124  125  126  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126     75  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   18  126     21  105  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     75  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     97  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     89  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   18  126      3  110  112  113  115  116  116  116  117  119  119  120  122  123  124  125  126  126  126  126 
LCS_AVERAGE  LCS_A:  78.38  (  66.00   69.15  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     97    110    112    113    115    116    116    116    117    119    119    120    122    123    124    125    126    126    126    126 
GDT PERCENT_AT  76.98  87.30  88.89  89.68  91.27  92.06  92.06  92.06  92.86  94.44  94.44  95.24  96.83  97.62  98.41  99.21 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.37   0.41   0.47   0.57   0.70   0.70   0.70   0.87   1.15   1.15   1.54   2.44   2.45   2.48   2.53   2.63   2.63   2.63   2.63
GDT RMS_ALL_AT   2.80   2.84   2.84   2.83   2.84   2.87   2.87   2.87   2.80   2.85   2.85   2.69   2.65   2.64   2.64   2.63   2.63   2.63   2.63   2.63

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  D   102_B      D   102_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.047     0    0.120   0.834     3.518   83.810   73.704
LGA    V     2_B      V     2_B     0.774     0    0.075   0.259     1.132   92.857   90.544
LGA    Q     3_B      Q     3_B     0.559     0    0.094   0.580     1.494   95.238   92.698
LGA    L     4_B      L     4_B     0.265     0    0.091   0.420     0.973   97.619   95.238
LGA    Q     5_B      Q     5_B     0.104     0    0.027   0.966     3.526  100.000   81.217
LGA    E     6_B      E     6_B     0.076     0    0.084   0.146     0.425  100.000  100.000
LGA    S     7_B      S     7_B     0.176     0    0.056   0.153     0.516  100.000   98.413
LGA    G     8_B      G     8_B     0.263     0    0.007   0.007     0.429  100.000  100.000
LGA    G     9_B      G     9_B     0.387     0    0.115   0.115     1.167   92.976   92.976
LGA    G    10_B      G    10_B     0.142     0    0.035   0.035     0.233  100.000  100.000
LGA    L    11_B      L    11_B     0.252     0    0.067   0.362     0.863  100.000   97.619
LGA    V    12_B      V    12_B     0.241     0    0.013   0.119     0.399  100.000  100.000
LGA    Q    13_B      Q    13_B     0.225     0    0.013   1.264     3.328  100.000   87.407
LGA    P    14_B      P    14_B     0.276     0    0.031   0.097     0.541  100.000   98.639
LGA    G    15_B      G    15_B     0.438     0    0.180   0.180     0.628   97.619   97.619
LGA    G    16_B      G    16_B     0.251     0    0.066   0.066     0.470  100.000  100.000
LGA    S    17_B      S    17_B     0.447     0    0.041   0.063     0.696   97.619   95.238
LGA    L    18_B      L    18_B     0.287     0    0.033   1.164     3.144  100.000   87.917
LGA    R    19_B      R    19_B     0.201     0    0.052   0.344     1.130   97.619   97.446
LGA    L    20_B      L    20_B     0.101     0    0.022   1.186     2.573  100.000   89.048
LGA    S    21_B      S    21_B     0.282     0    0.070   0.305     0.900  100.000   98.413
LGA    C    22_B      C    22_B     0.438     0    0.049   0.068     0.557   97.619   96.825
LGA    A    23_B      A    23_B     0.280     0    0.039   0.060     0.417  100.000  100.000
LGA    A    24_B      A    24_B     0.417     0    0.086   0.114     0.820   97.619   96.190
LGA    S    25_B      S    25_B     0.372     0    0.048   0.131     0.669  100.000   98.413
LGA    G    26_B      G    26_B     0.162     0    0.054   0.054     0.335  100.000  100.000
LGA    F    27_B      F    27_B     0.388     0    0.045   0.232     0.639  100.000   98.268
LGA    R    28_B      R    28_B     0.416     0    0.015   0.887     3.551  100.000   85.714
LGA    F    29_B      F    29_B     0.413     0    0.024   0.174     0.788  100.000   97.403
LGA    S    30_B      S    30_B     0.565     0    0.081   0.079     0.684   95.238   93.651
LGA    S    31_B      S    31_B     0.423     0    0.083   0.602     1.473  100.000   95.317
LGA    Y    32_B      Y    32_B     0.329     0    0.025   0.210     1.141  100.000   92.897
LGA    W    33_B      W    33_B     0.253     0    0.032   0.141     0.802  100.000   97.959
LGA    M    34_B      M    34_B     0.267     0    0.014   0.848     2.847  100.000   93.452
LGA    Y    35_B      Y    35_B     0.202     0    0.046   0.196     1.258  100.000   93.730
LGA    W    36_B      W    36_B     0.257     0    0.036   0.156     0.686  100.000   97.959
LGA    V    37_B      V    37_B     0.191     0    0.087   0.584     1.486  100.000   94.694
LGA    R    38_B      R    38_B     0.349     0    0.033   0.105     0.621  100.000   98.268
LGA    Q    39_B      Q    39_B     0.201     0    0.068   0.114     0.715  100.000   96.825
LGA    A    40_B      A    40_B     0.158     0    0.030   0.041     0.376  100.000  100.000
LGA    P    41_B      P    41_B     0.610     0    0.049   0.076     0.803   92.857   91.837
LGA    G    42_B      G    42_B     0.644     0    0.075   0.075     0.644   92.857   92.857
LGA    K    43_B      K    43_B     0.507     0    0.070   0.618     3.071   97.619   84.339
LGA    G    44_B      G    44_B     0.587     0    0.044   0.044     0.587   92.857   92.857
LGA    L    45_B      L    45_B     0.411     0    0.019   1.248     3.277   97.619   85.655
LGA    E    46_B      E    46_B     0.180     0    0.071   0.726     2.063   97.619   85.979
LGA    W    47_B      W    47_B     0.401     0    0.042   0.115     0.548  100.000   98.639
LGA    V    48_B      V    48_B     0.398     0    0.012   0.049     0.398  100.000  100.000
LGA    S    49_B      S    49_B     0.412     0    0.024   0.282     1.028  100.000   96.905
LGA    A    50_B      A    50_B     0.238     0    0.035   0.043     0.285  100.000  100.000
LGA    I    51_B      I    51_B     0.327     0    0.043   0.099     0.632   97.619   96.429
LGA    N    52_B      N    52_B     0.182     0    0.039   0.117     0.387  100.000  100.000
LGA    S    53_B      S    53_B     0.489     0    0.056   0.364     1.160   95.238   93.730
LGA    S    54_B      S    54_B     0.631     0    0.112   0.116     1.270   90.595   90.556
LGA    G    55_B      G    55_B     0.288     0    0.761   0.761     2.868   86.905   86.905
LGA    G    56_B      G    56_B     1.469     0    0.062   0.062     1.608   86.190   86.190
LGA    Y    57_B      Y    57_B     0.291     0    0.097   0.332     0.986   97.619   94.444
LGA    T    58_B      T    58_B     0.207     0    0.029   0.136     0.381  100.000  100.000
LGA    R    59_B      R    59_B     0.205     0    0.026   1.093     4.910  100.000   82.597
LGA    Y    60_B      Y    60_B     0.304     0    0.034   0.231     0.726  100.000   96.032
LGA    A    61_B      A    61_B     0.319     0    0.037   0.059     0.376  100.000  100.000
LGA    D    62_B      D    62_B     0.433     0    0.067   0.400     2.032   97.619   90.893
LGA    S    63_B      S    63_B     0.379     0    0.103   0.116     1.008   95.357   95.317
LGA    V    64_B      V    64_B     0.223     0    0.027   0.126     0.413  100.000  100.000
LGA    K    65_B      K    65_B     0.162     0    0.047   0.702     2.660  100.000   91.164
LGA    G    66_B      G    66_B     0.322     0    0.045   0.045     0.380  100.000  100.000
LGA    R    67_B      R    67_B     0.346     0    0.048   0.157     0.783  100.000   96.537
LGA    F    68_B      F    68_B     0.183     0    0.052   0.127     0.551   97.619   99.134
LGA    T    69_B      T    69_B     0.151     0    0.026   0.087     0.336  100.000  100.000
LGA    I    70_B      I    70_B     0.151     0    0.043   0.073     0.256  100.000  100.000
LGA    S    71_B      S    71_B     0.524     0    0.027   0.091     0.623   97.619   95.238
LGA    R    72_B      R    72_B     0.232     0    0.057   0.229     0.911  100.000   95.671
LGA    D    73_B      D    73_B     0.400     0    0.020   0.227     1.492   97.619   94.107
LGA    N    74_B      N    74_B     0.205     0    0.041   0.887     2.166  100.000   93.274
LGA    A    75_B      A    75_B     0.675     0    0.014   0.022     0.812   92.857   92.381
LGA    K    76_B      K    76_B     0.461     0    0.006   0.300     1.049  100.000   96.878
LGA    N    77_B      N    77_B     0.335     0    0.023   0.281     0.893   97.619   97.619
LGA    T    78_B      T    78_B     0.357     0    0.057   0.094     0.676  100.000   98.639
LGA    L    79_B      L    79_B     0.117     0    0.027   0.098     0.270  100.000  100.000
LGA    Y    80_B      Y    80_B     0.086     0    0.094   0.243     1.106   97.619   95.278
LGA    L    81_B      L    81_B     0.120     0    0.017   0.254     0.552  100.000   97.619
LGA    Q    82_B      Q    82_B     0.146     0    0.032   0.129     0.321  100.000  100.000
LGA    M    83_B      M    83_B     0.240     0    0.022   0.801     2.103  100.000   93.214
LGA    N    84_B      N    84_B     0.141     0    0.085   0.206     0.570   97.619   97.619
LGA    S    85_B      S    85_B     0.649     0    0.057   0.112     0.808   90.476   90.476
LGA    L    86_B      L    86_B     0.268     0    0.069   0.074     0.622   97.619   98.810
LGA    R    87_B      R    87_B     0.188     0    0.015   0.922     3.174  100.000   89.524
LGA    A    88_B      A    88_B     0.122     0    0.049   0.048     0.280  100.000  100.000
LGA    E    89_B      E    89_B     0.277     0    0.029   0.866     2.230  100.000   88.942
LGA    D    90_B      D    90_B     0.109     0    0.026   0.065     0.281  100.000  100.000
LGA    T    91_B      T    91_B     0.132     0    0.089   0.082     0.258  100.000  100.000
LGA    A    92_B      A    92_B     0.169     0    0.066   0.097     0.291  100.000  100.000
LGA    V    93_B      V    93_B     0.061     0    0.029   0.242     0.608  100.000   97.279
LGA    Y    94_B      Y    94_B     0.048     0    0.061   0.096     0.324  100.000  100.000
LGA    Y    95_B      Y    95_B     0.306     0    0.089   0.154     0.619  100.000   98.413
LGA    C    96_B      C    96_B     0.177     0    0.041   0.144     0.523  100.000   98.413
LGA    A    97_B      A    97_B     0.271     0    0.029   0.037     0.301  100.000  100.000
LGA    T    98_B      T    98_B     0.455     0    0.064   1.119     2.560   88.571   83.333
LGA    D    99_B      D    99_B     2.457     0    0.475   0.621     5.227   68.810   54.107
LGA    S   100_B      S   100_B     5.348     0    0.148   0.671    10.069   25.714   18.333
LGA    G   101_B      G   101_B     5.084     0    0.646   0.646     8.580   19.048   19.048
LGA    D   102_B      D   102_B     8.803     0    0.101   1.051    12.937    3.214    1.786
LGA    G   103_B      G   103_B    13.758     0    0.706   0.706    13.976    0.000    0.000
LGA    K   104_B      K   104_B    13.882     0    0.156   0.861    14.246    0.000    0.000
LGA    R   105_B      R   105_B    12.725     0    0.313   0.796    13.874    0.000    0.000
LGA    Y   106_B      Y   106_B    10.253     0    0.229   0.335    14.325    2.143    0.714
LGA    W   107_B      W   107_B     9.235     0    0.571   1.374    11.659    1.190    0.340
LGA    S   108_B      S   108_B     8.160     0    0.606   0.513     9.789   12.619    8.968
LGA    G   109_B      G   109_B     2.152     0    0.128   0.128     4.705   44.167   44.167
LGA    E   110_B      E   110_B     6.864     0    0.560   1.072    13.921   20.595    9.206
LGA    Y   111_B      Y   111_B     4.315     0    0.253   0.191     8.842   37.500   21.270
LGA    F   112_B      F   112_B     2.671     0    0.323   0.291     4.382   57.262   50.433
LGA    Y   113_B      Y   113_B     0.875     0    0.146   1.124     6.467   83.810   62.421
LGA    R   114_B      R   114_B     1.388     0    0.032   1.033     6.206   81.548   58.701
LGA    S   115_B      S   115_B     0.663     0    0.009   0.090     1.240   95.238   92.143
LGA    R   116_B      R   116_B     0.503     0    0.104   0.633     1.225   97.619   90.606
LGA    G   117_B      G   117_B     0.398     0    0.038   0.038     0.499  100.000  100.000
LGA    Q   118_B      Q   118_B     0.494     0    0.059   1.371     6.878  100.000   66.349
LGA    G   119_B      G   119_B     0.375     0    0.024   0.024     0.519   97.619   97.619
LGA    T   120_B      T   120_B     0.276     0    0.027   0.101     0.709  100.000   98.639
LGA    L   121_B      L   121_B     0.236     0    0.016   0.258     0.940  100.000   97.619
LGA    V   122_B      V   122_B     0.222     0    0.015   0.136     0.392  100.000  100.000
LGA    T   123_B      T   123_B     0.177     0    0.093   0.453     1.127  100.000   95.986
LGA    V   124_B      V   124_B     0.162     0    0.043   0.057     0.499  100.000  100.000
LGA    S   125_B      S   125_B     0.663     0    0.087   0.532     1.229   92.857   89.048
LGA    S   126_B      S   126_B     1.082     0    0.256   0.881     4.384   66.548   64.683

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     2.631          2.628                  3.191           89.104   85.441

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.70    92.063    86.617    14.533

LGA_LOCAL      RMSD:   0.698  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.868  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.631  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.445202 * X  +  -0.763300 * Y  +  -0.468153 * Z  + -29.721210
  Y_new =  -0.383451 * X  +   0.634978 * Y  +  -0.670648 * Z  + -13.643713
  Z_new =   0.809173 * X  +  -0.119060 * Y  +  -0.575382 * Z  + -67.044205 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.430577 -0.942743 -2.937548   [DEG: -139.2618  -54.0152 -168.3091 ]
ZXZ: -0.609423  2.183867  1.716886   [DEG:  -34.9174  125.1264   98.3703 ]
 
# END of job
