
#######################################################
#                                                     #
#                        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       2.97     2.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.91     3.01
  LCS_AVERAGE:     69.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.77     3.14
  LCS_AVERAGE:     66.09

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     36  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     60  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     94  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     96  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     96  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     F    27_B     F    27_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     96  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     93  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    42_B     G    42_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    53_B     S    53_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    54_B     S    54_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    55_B     G    55_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      7  102  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     81  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     D    99_B     D    99_B    101  103  126      3   78  109  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S   100_B     S   100_B    101  103  126      3    4   54   86  106  115  116  116  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      5   16   48   89  108  113  116  116  117  117  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     D   102_B     D   102_B      4  103  126      1    4    7   12   29   53   82  100  112  116  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G   103_B     G   103_B      6  103  126      3    5    8    9   15   15   17   22   28   33   47   54   84  118  121  123  123  125  125  126 
LCS_GDT     K   104_B     K   104_B      6   11  126      3    5    8    9   15   15   17   22   28   36   51   86  110  119  121  123  123  124  125  126 
LCS_GDT     R   105_B     R   105_B      6   11  126      3    5    8    9   15   15   23   27   49   88  105  113  118  120  121  123  123  125  125  126 
LCS_GDT     Y   106_B     Y   106_B      6   11  126      3    5    8    9   15   23   55   76   98  111  116  118  120  120  121  123  123  125  125  126 
LCS_GDT     W   107_B     W   107_B      6   11  126      3    5   12   19   29   45   74   93  109  115  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S   108_B     S   108_B      6   11  126      3    4    7    8   10   11   81  109  114  117  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G   109_B     G   109_B      4   18  126     20  107  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     E   110_B     E   110_B     11   18  126      3    7   16   41   84   97  114  117  118  118  119  119  120  120  120  122  123  125  125  126 
LCS_GDT     Y   111_B     Y   111_B     11   18  126      3    3   10   24   57   82  114  117  118  118  119  119  120  120  120  122  123  125  125  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      3   12   76  114  114  115  116  117  118  118  119  119  120  120  121  122  123  125  125  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126     48  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R   114_B     R   114_B     15   18  126     27  107  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     86  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     96  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     97  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     62  108  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_GDT     S   126_B     S   126_B     15   18  126     21  100  113  114  114  115  116  117  118  118  119  119  120  120  121  123  123  125  125  126 
LCS_AVERAGE  LCS_A:  78.43  (  66.09   69.21  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    108    113    114    114    115    116    117    118    118    119    119    120    120    121    123    123    125    125    126 
GDT PERCENT_AT  76.98  85.71  89.68  90.48  90.48  91.27  92.06  92.86  93.65  93.65  94.44  94.44  95.24  95.24  96.03  97.62  97.62  99.21  99.21 100.00
GDT RMS_LOCAL    0.27   0.35   0.44   0.48   0.48   0.56   0.77   0.94   1.01   1.01   1.12   1.12   1.31   1.31   1.90   2.80   2.08   2.70   2.70   2.97
GDT RMS_ALL_AT   3.17   3.20   3.22   3.20   3.20   3.22   3.16   3.29   3.27   3.27   3.24   3.24   3.20   3.20   3.02   2.99   3.05   2.98   2.98   2.97

# 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:  E    89_B      E    89_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
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.232     0    0.119   0.845     3.485   83.810   76.296
LGA    V     2_B      V     2_B     0.751     0    0.085   0.243     1.227   95.238   91.905
LGA    Q     3_B      Q     3_B     0.521     0    0.104   0.549     1.420   95.238   93.704
LGA    L     4_B      L     4_B     0.309     0    0.092   0.421     0.964   97.619   96.429
LGA    Q     5_B      Q     5_B     0.081     0    0.026   1.011     3.717  100.000   79.630
LGA    E     6_B      E     6_B     0.125     0    0.071   0.146     0.485  100.000  100.000
LGA    S     7_B      S     7_B     0.124     0    0.063   0.193     0.764  100.000   98.413
LGA    G     8_B      G     8_B     0.217     0    0.009   0.009     0.284  100.000  100.000
LGA    G     9_B      G     9_B     0.282     0    0.087   0.087     1.087   92.976   92.976
LGA    G    10_B      G    10_B     0.289     0    0.026   0.026     0.363  100.000  100.000
LGA    L    11_B      L    11_B     0.403     0    0.060   0.338     0.990   97.619   96.429
LGA    V    12_B      V    12_B     0.406     0    0.035   1.223     2.523  100.000   87.483
LGA    Q    13_B      Q    13_B     0.420     0    0.013   1.240     3.282  100.000   84.497
LGA    P    14_B      P    14_B     0.396     0    0.033   0.098     0.610   97.619   95.918
LGA    G    15_B      G    15_B     0.531     0    0.178   0.178     0.540   95.238   95.238
LGA    G    16_B      G    16_B     0.375     0    0.062   0.062     0.586   97.619   97.619
LGA    S    17_B      S    17_B     0.424     0    0.044   0.064     0.688   97.619   95.238
LGA    L    18_B      L    18_B     0.281     0    0.035   1.136     3.088  100.000   87.917
LGA    R    19_B      R    19_B     0.239     0    0.049   0.396     1.252   97.619   96.580
LGA    L    20_B      L    20_B     0.107     0    0.023   1.190     2.459  100.000   90.000
LGA    S    21_B      S    21_B     0.304     0    0.084   0.717     2.226  100.000   94.127
LGA    C    22_B      C    22_B     0.456     0    0.047   0.064     0.581   97.619   96.825
LGA    A    23_B      A    23_B     0.279     0    0.028   0.048     0.345  100.000  100.000
LGA    A    24_B      A    24_B     0.400     0    0.100   0.130     0.781   97.619   96.190
LGA    S    25_B      S    25_B     0.488     0    0.040   0.130     0.854  100.000   96.825
LGA    G    26_B      G    26_B     0.127     0    0.061   0.061     0.334  100.000  100.000
LGA    F    27_B      F    27_B     0.390     0    0.045   0.209     0.639  100.000   99.134
LGA    R    28_B      R    28_B     0.433     0    0.018   0.893     3.762   97.619   84.113
LGA    F    29_B      F    29_B     0.416     0    0.029   0.099     0.672  100.000   98.268
LGA    S    30_B      S    30_B     0.498     0    0.058   0.141     0.814  100.000   96.825
LGA    S    31_B      S    31_B     0.259     0    0.112   0.635     1.662  100.000   93.889
LGA    Y    32_B      Y    32_B     0.270     0    0.040   0.236     0.901   97.619   96.032
LGA    W    33_B      W    33_B     0.316     0    0.029   0.095     0.650  100.000   97.959
LGA    M    34_B      M    34_B     0.375     0    0.023   0.837     2.734  100.000   93.452
LGA    Y    35_B      Y    35_B     0.358     0    0.044   0.241     1.592  100.000   90.714
LGA    W    36_B      W    36_B     0.326     0    0.038   0.134     0.361  100.000  100.000
LGA    V    37_B      V    37_B     0.400     0    0.076   0.120     0.513  100.000   98.639
LGA    R    38_B      R    38_B     0.404     0    0.024   0.112     0.545  100.000   99.134
LGA    Q    39_B      Q    39_B     0.180     0    0.058   0.094     0.491  100.000  100.000
LGA    A    40_B      A    40_B     0.128     0    0.031   0.039     0.451  100.000  100.000
LGA    P    41_B      P    41_B     0.636     0    0.055   0.082     0.855   95.238   93.197
LGA    G    42_B      G    42_B     0.665     0    0.061   0.061     0.823   90.476   90.476
LGA    K    43_B      K    43_B     0.504     0    0.077   0.227     1.525   95.238   89.630
LGA    G    44_B      G    44_B     0.518     0    0.036   0.036     0.518   97.619   97.619
LGA    L    45_B      L    45_B     0.576     0    0.025   1.225     3.453   90.476   82.083
LGA    E    46_B      E    46_B     0.416     0    0.061   0.683     2.142   95.238   84.021
LGA    W    47_B      W    47_B     0.490     0    0.035   0.065     0.599   97.619   97.959
LGA    V    48_B      V    48_B     0.475     0    0.017   0.032     0.502   97.619   98.639
LGA    S    49_B      S    49_B     0.523     0    0.026   0.289     1.061   95.238   92.143
LGA    A    50_B      A    50_B     0.367     0    0.042   0.055     0.417  100.000  100.000
LGA    I    51_B      I    51_B     0.404     0    0.048   0.104     0.654   97.619   96.429
LGA    N    52_B      N    52_B     0.228     0    0.040   0.140     0.474  100.000  100.000
LGA    S    53_B      S    53_B     0.582     0    0.048   0.364     1.385   92.857   90.556
LGA    S    54_B      S    54_B     0.731     0    0.119   0.128     1.291   88.214   88.968
LGA    G    55_B      G    55_B     0.388     0    0.761   0.761     2.991   86.905   86.905
LGA    G    56_B      G    56_B     1.342     0    0.062   0.062     1.495   88.333   88.333
LGA    Y    57_B      Y    57_B     0.356     0    0.088   0.298     1.359   95.238   90.595
LGA    T    58_B      T    58_B     0.303     0    0.048   0.112     0.450  100.000  100.000
LGA    R    59_B      R    59_B     0.430     0    0.022   1.242     5.316  100.000   74.762
LGA    Y    60_B      Y    60_B     0.438     0    0.045   0.212     0.776  100.000   97.619
LGA    A    61_B      A    61_B     0.556     0    0.042   0.071     0.575   90.476   92.381
LGA    D    62_B      D    62_B     0.649     0    0.068   0.413     2.280   90.476   85.000
LGA    S    63_B      S    63_B     0.257     0    0.083   0.117     0.745   97.619   98.413
LGA    V    64_B      V    64_B     0.415     0    0.025   0.105     0.470  100.000  100.000
LGA    K    65_B      K    65_B     0.400     0    0.038   0.720     3.087   97.619   87.354
LGA    G    66_B      G    66_B     0.433     0    0.038   0.038     0.440  100.000  100.000
LGA    R    67_B      R    67_B     0.408     0    0.050   0.105     0.853  100.000   93.939
LGA    F    68_B      F    68_B     0.239     0    0.069   0.152     0.833   97.619   99.134
LGA    T    69_B      T    69_B     0.172     0    0.055   0.108     0.434  100.000  100.000
LGA    I    70_B      I    70_B     0.240     0    0.040   0.060     0.357  100.000  100.000
LGA    S    71_B      S    71_B     0.632     0    0.018   0.073     0.744   95.238   93.651
LGA    R    72_B      R    72_B     0.306     0    0.045   0.194     0.739   97.619   94.805
LGA    D    73_B      D    73_B     0.421     0    0.017   0.231     1.567   97.619   93.036
LGA    N    74_B      N    74_B     0.168     0    0.034   0.890     2.140  100.000   92.202
LGA    A    75_B      A    75_B     0.659     0    0.021   0.024     0.812   92.857   92.381
LGA    K    76_B      K    76_B     0.474     0    0.010   0.297     0.990  100.000   95.767
LGA    N    77_B      N    77_B     0.355     0    0.027   0.310     1.020   97.619   95.298
LGA    T    78_B      T    78_B     0.378     0    0.054   0.094     0.732  100.000   97.279
LGA    L    79_B      L    79_B     0.084     0    0.030   0.073     0.229  100.000  100.000
LGA    Y    80_B      Y    80_B     0.153     0    0.095   0.224     1.102   97.619   95.278
LGA    L    81_B      L    81_B     0.131     0    0.023   0.248     0.602  100.000   97.619
LGA    Q    82_B      Q    82_B     0.150     0    0.037   0.118     0.323  100.000  100.000
LGA    M    83_B      M    83_B     0.297     0    0.016   0.658     1.674  100.000   93.036
LGA    N    84_B      N    84_B     0.229     0    0.083   0.228     0.585   97.619   97.619
LGA    S    85_B      S    85_B     0.737     0    0.063   0.119     0.895   90.476   90.476
LGA    L    86_B      L    86_B     0.321     0    0.062   0.085     0.722   97.619   98.810
LGA    R    87_B      R    87_B     0.305     0    0.013   0.168     1.113  100.000   93.117
LGA    A    88_B      A    88_B     0.149     0    0.056   0.055     0.398  100.000  100.000
LGA    E    89_B      E    89_B     0.372     0    0.024   0.383     1.550  100.000   92.804
LGA    D    90_B      D    90_B     0.114     0    0.027   0.075     0.325  100.000  100.000
LGA    T    91_B      T    91_B     0.196     0    0.095   0.084     0.333  100.000  100.000
LGA    A    92_B      A    92_B     0.252     0    0.065   0.094     0.348  100.000  100.000
LGA    V    93_B      V    93_B     0.101     0    0.031   0.240     0.592  100.000   97.279
LGA    Y    94_B      Y    94_B     0.093     0    0.078   0.094     0.591  100.000   99.206
LGA    Y    95_B      Y    95_B     0.362     0    0.076   0.129     0.545  100.000   99.206
LGA    C    96_B      C    96_B     0.235     0    0.047   0.169     0.456  100.000  100.000
LGA    A    97_B      A    97_B     0.455     0    0.032   0.043     0.512   97.619   98.095
LGA    T    98_B      T    98_B     0.740     0    0.076   0.091     1.447   85.952   89.252
LGA    D    99_B      D    99_B     2.391     0    0.518   0.581     4.224   68.810   56.250
LGA    S   100_B      S   100_B     4.280     0    0.363   0.763     8.601   32.262   24.206
LGA    G   101_B      G   101_B     5.572     0    0.646   0.646     9.213   15.357   15.357
LGA    D   102_B      D   102_B    10.914     0    0.484   1.067    14.480    0.714    0.357
LGA    G   103_B      G   103_B    16.216     0    0.602   0.602    16.741    0.000    0.000
LGA    K   104_B      K   104_B    16.901     0    0.211   0.855    21.306    0.000    0.000
LGA    R   105_B      R   105_B    14.864     0    0.289   0.820    16.802    0.000    0.000
LGA    Y   106_B      Y   106_B    12.213     0    0.149   0.267    19.302    0.357    0.119
LGA    W   107_B      W   107_B    10.633     0    0.505   1.159    13.496    0.119    0.034
LGA    S   108_B      S   108_B     7.730     0    0.461   0.396     9.253   14.405   10.317
LGA    G   109_B      G   109_B     1.438     0    0.148   0.148     3.598   61.905   61.905
LGA    E   110_B      E   110_B     5.711     0    0.182   1.046    10.995   23.929   11.587
LGA    Y   111_B      Y   111_B     5.594     0    0.144   0.199    17.141   33.571   11.786
LGA    F   112_B      F   112_B     2.782     0    0.483   0.366     4.742   57.619   47.662
LGA    Y   113_B      Y   113_B     0.876     0    0.222   1.400     7.550   83.810   60.992
LGA    R   114_B      R   114_B     1.119     0    0.071   0.776     4.888   81.548   68.874
LGA    S   115_B      S   115_B     0.628     0    0.028   0.166     1.550   95.238   90.714
LGA    R   116_B      R   116_B     0.433     0    0.095   1.250     5.232  100.000   80.433
LGA    G   117_B      G   117_B     0.250     0    0.032   0.032     0.320  100.000  100.000
LGA    Q   118_B      Q   118_B     0.233     0    0.067   1.378     6.483  100.000   68.889
LGA    G   119_B      G   119_B     0.333     0    0.022   0.022     0.393  100.000  100.000
LGA    T   120_B      T   120_B     0.258     0    0.029   0.075     0.504  100.000   98.639
LGA    L   121_B      L   121_B     0.291     0    0.014   0.250     0.868  100.000   97.619
LGA    V   122_B      V   122_B     0.233     0    0.012   0.144     0.446  100.000  100.000
LGA    T   123_B      T   123_B     0.129     0    0.096   0.471     1.100  100.000   94.694
LGA    V   124_B      V   124_B     0.085     0    0.061   0.066     0.507  100.000   98.639
LGA    S   125_B      S   125_B     0.758     0    0.064   0.071     1.054   90.476   87.460
LGA    S   126_B      S   126_B     1.320     0    0.287   0.910     4.646   62.857   63.492

# 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):     2.974          2.958                  3.729           88.788   85.165

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.94    91.667    86.305    11.255

LGA_LOCAL      RMSD:   0.939  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.289  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.974  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.634540 * X  +   0.332397 * Y  +   0.697761 * Z  + -31.882792
  Y_new =   0.510873 * X  +  -0.857835 * Y  +  -0.055932 * Z  + -13.966617
  Z_new =   0.579972 * X  +   0.391959 * Y  +  -0.714143 * Z  + -66.459213 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.677848 -0.618695  2.639632   [DEG:   38.8378  -35.4486  151.2397 ]
ZXZ:  1.490808  2.366196  0.976481   [DEG:   85.4170  135.5730   55.9483 ]
 
# END of job
