
#######################################################
#                                                     #
#                        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       3.53     3.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.51     3.72
  LCS_AVERAGE:     67.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.69     3.85
  LCS_AVERAGE:     64.66

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    100  102  126     56  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V     2_B     V     2_B    100  102  126     64  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Q     3_B     Q     3_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L     4_B     L     4_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Q     5_B     Q     5_B    100  102  126     64  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     E     6_B     E     6_B    100  102  126     36  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S     7_B     S     7_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G     8_B     G     8_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G     9_B     G     9_B    100  102  126     36  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    10_B     G    10_B    100  102  126     20  103  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    11_B     L    11_B    100  102  126     56  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V    12_B     V    12_B    100  102  126     64  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Q    13_B     Q    13_B    100  102  126     60  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     P    14_B     P    14_B    100  102  126     33  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    15_B     G    15_B    100  102  126     51  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    16_B     G    16_B    100  102  126     57  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    17_B     S    17_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    18_B     L    18_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    19_B     R    19_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    20_B     L    20_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    21_B     S    21_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     C    22_B     C    22_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    23_B     A    23_B    100  102  126     55  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    24_B     A    24_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    25_B     S    25_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    26_B     G    26_B    100  102  126     21  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     F    27_B     F    27_B    100  102  126     21  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    28_B     R    28_B    100  102  126     39  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     F    29_B     F    29_B    100  102  126     45  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    30_B     S    30_B    100  102  126      8  101  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    31_B     S    31_B    100  102  126     33  101  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    32_B     Y    32_B    100  102  126     33  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     W    33_B     W    33_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     M    34_B     M    34_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    35_B     Y    35_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     W    36_B     W    36_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V    37_B     V    37_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    38_B     R    38_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Q    39_B     Q    39_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    40_B     A    40_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     P    41_B     P    41_B    100  102  126     62  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    42_B     G    42_B    100  102  126     55  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     K    43_B     K    43_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    44_B     G    44_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    45_B     L    45_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     E    46_B     E    46_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     W    47_B     W    47_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V    48_B     V    48_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    49_B     S    49_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    50_B     A    50_B    100  102  126     58  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     I    51_B     I    51_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     N    52_B     N    52_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    53_B     S    53_B    100  102  126     24  103  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    54_B     S    54_B    100  102  126      8  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    55_B     G    55_B    100  102  126     60  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    56_B     G    56_B    100  102  126      6  100  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    57_B     Y    57_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T    58_B     T    58_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    59_B     R    59_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    60_B     Y    60_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    61_B     A    61_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     D    62_B     D    62_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    63_B     S    63_B    100  102  126     61  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V    64_B     V    64_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     K    65_B     K    65_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G    66_B     G    66_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    67_B     R    67_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     F    68_B     F    68_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T    69_B     T    69_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     I    70_B     I    70_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    71_B     S    71_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    72_B     R    72_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     D    73_B     D    73_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     N    74_B     N    74_B    100  102  126     61  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    75_B     A    75_B    100  102  126     55  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     K    76_B     K    76_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     N    77_B     N    77_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T    78_B     T    78_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    79_B     L    79_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    80_B     Y    80_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    81_B     L    81_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Q    82_B     Q    82_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     M    83_B     M    83_B    100  102  126     59  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     N    84_B     N    84_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S    85_B     S    85_B    100  102  126     56  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L    86_B     L    86_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R    87_B     R    87_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    88_B     A    88_B    100  102  126     64  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     E    89_B     E    89_B    100  102  126     57  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     D    90_B     D    90_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T    91_B     T    91_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    92_B     A    92_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V    93_B     V    93_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    94_B     Y    94_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y    95_B     Y    95_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     C    96_B     C    96_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     A    97_B     A    97_B    100  102  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T    98_B     T    98_B    100  102  126     46  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     D    99_B     D    99_B    100  102  126      3   97  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S   100_B     S   100_B    100  102  126      3    4   18   89  111  114  115  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G   101_B     G   101_B      3  102  126      3    4    5    7    9   53   91  110  115  116  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     D   102_B     D   102_B      3  102  126      1    3    4    6    8   12   43   61   85   98  110  117  119  121  122  122  122  123  125  126 
LCS_GDT     G   103_B     G   103_B      3    8  126      0    5    6    7    8   16   19   23   28   34   45   57   62   72  108  119  121  123  125  126 
LCS_GDT     K   104_B     K   104_B      3    7  126      2    5    6    7    9   16   19   23   28   34   45   57   62   94  110  119  121  123  125  126 
LCS_GDT     R   105_B     R   105_B      3    7  126      2    5    6    7    8   16   19   23   28   34   45   57   80   94  110  119  121  123  125  126 
LCS_GDT     Y   106_B     Y   106_B      4    7  126      3    3    5    5    7    8   10   23   28   34   45   57   62   72  101  116  121  123  124  126 
LCS_GDT     W   107_B     W   107_B      4    6  126      3    3    5    5    7    8   11   22   63   82   99  112  119  120  122  122  122  123  125  126 
LCS_GDT     S   108_B     S   108_B      4    7  126      4    4    4    5   10   15   18   43   92  107  117  120  120  121  122  122  122  123  125  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      4    4    4   31   48   67  109  116  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     E   110_B     E   110_B     12   18  126      4   16   51  101  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y   111_B     Y   111_B     12   18  126      4   11   29   76  111  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     F   112_B     F   112_B     14   18  126      4   30   96  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Y   113_B     Y   113_B     14   18  126     13  102  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R   114_B     R   114_B     14   18  126      6   54  108  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S   115_B     S   115_B     14   18  126     29  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     R   116_B     R   116_B     14   18  126     64  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G   117_B     G   117_B     14   18  126     64  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     Q   118_B     Q   118_B     14   18  126     25  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     G   119_B     G   119_B     14   18  126     55  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T   120_B     T   120_B     14   18  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     L   121_B     L   121_B     14   18  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V   122_B     V   122_B     14   18  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     T   123_B     T   123_B     14   18  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     V   124_B     V   124_B     14   18  126     65  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S   125_B     S   125_B     14   18  126     33  104  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_GDT     S   126_B     S   126_B     14   18  126      8   61  112  113  115  116  116  117  117  118  119  120  120  121  122  122  122  123  125  126 
LCS_AVERAGE  LCS_A:  77.50  (  64.66   67.84  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     65    104    112    113    115    116    116    117    117    118    119    120    120    121    122    122    122    123    125    126 
GDT PERCENT_AT  51.59  82.54  88.89  89.68  91.27  92.06  92.06  92.86  92.86  93.65  94.44  95.24  95.24  96.03  96.83  96.83  96.83  97.62  99.21 100.00
GDT RMS_LOCAL    0.33   0.53   0.61   0.64   0.77   0.84   0.84   0.91   0.91   1.05   1.27   1.52   1.52   1.83   2.12   2.12   2.12   2.56   3.25   3.53
GDT RMS_ALL_AT   3.89   3.86   3.87   3.87   3.88   3.88   3.88   3.87   3.87   3.85   3.81   3.77   3.77   3.71   3.66   3.66   3.66   3.60   3.54   3.53

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  F    27_B      F    27_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  D   102_B      D   102_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     0.950     0    0.475   0.920     9.490   82.143   45.238
LGA    V     2_B      V     2_B     0.422     0    0.141   0.302     1.569   92.976   89.388
LGA    Q     3_B      Q     3_B     0.249     0    0.025   1.015     4.376  100.000   76.402
LGA    L     4_B      L     4_B     0.233     0    0.031   0.475     1.365  100.000   95.357
LGA    Q     5_B      Q     5_B     0.414     0    0.059   0.975     3.513  100.000   81.217
LGA    E     6_B      E     6_B     0.590     0    0.064   0.972     3.576   90.476   82.275
LGA    S     7_B      S     7_B     0.370     0    0.082   0.168     0.468  100.000  100.000
LGA    G     8_B      G     8_B     0.645     0    0.119   0.119     0.856   90.476   90.476
LGA    G     9_B      G     9_B     0.942     0    0.054   0.054     0.943   90.476   90.476
LGA    G    10_B      G    10_B     1.165     0    0.017   0.017     1.215   85.952   85.952
LGA    L    11_B      L    11_B     0.708     0    0.119   0.421     1.330   90.476   89.345
LGA    V    12_B      V    12_B     0.514     0    0.045   0.981     2.391   95.238   87.007
LGA    Q    13_B      Q    13_B     0.687     0    0.044   1.197     4.039   90.476   78.730
LGA    P    14_B      P    14_B     0.715     0    0.062   0.262     0.870   90.476   90.476
LGA    G    15_B      G    15_B     0.814     0    0.176   0.176     0.814   92.857   92.857
LGA    G    16_B      G    16_B     0.678     0    0.047   0.047     0.753   90.476   90.476
LGA    S    17_B      S    17_B     0.510     0    0.037   0.091     0.891   90.476   90.476
LGA    L    18_B      L    18_B     0.523     0    0.098   1.373     2.845   92.857   83.155
LGA    R    19_B      R    19_B     0.401     0    0.105   1.053     4.108   92.976   82.641
LGA    L    20_B      L    20_B     0.345     0    0.057   1.183     2.808  100.000   87.857
LGA    S    21_B      S    21_B     0.621     0    0.052   0.199     0.869   90.476   90.476
LGA    C    22_B      C    22_B     0.522     0    0.058   0.109     0.786   90.476   90.476
LGA    A    23_B      A    23_B     0.679     0    0.120   0.144     0.990   92.857   92.381
LGA    A    24_B      A    24_B     0.359     0    0.071   0.109     1.112   92.976   92.476
LGA    S    25_B      S    25_B     0.161     0    0.068   0.076     0.450  100.000  100.000
LGA    G    26_B      G    26_B     0.888     0    0.067   0.067     1.076   88.214   88.214
LGA    F    27_B      F    27_B     0.875     0    0.061   0.210     0.946   90.476   90.476
LGA    R    28_B      R    28_B     0.709     0    0.029   0.771     5.373   90.476   62.424
LGA    F    29_B      F    29_B     0.668     0    0.018   0.145     0.985   90.476   90.476
LGA    S    30_B      S    30_B     1.263     0    0.061   0.101     1.666   81.548   78.651
LGA    S    31_B      S    31_B     1.221     0    0.052   0.594     1.812   81.429   80.000
LGA    Y    32_B      Y    32_B     0.866     0    0.042   0.293     0.923   90.476   92.063
LGA    W    33_B      W    33_B     0.541     0    0.034   0.162     1.623   92.857   88.605
LGA    M    34_B      M    34_B     0.310     0    0.019   0.865     3.420  100.000   92.560
LGA    Y    35_B      Y    35_B     0.260     0    0.027   0.253     1.028  100.000   94.484
LGA    W    36_B      W    36_B     0.260     0    0.040   0.156     0.752  100.000   97.959
LGA    V    37_B      V    37_B     0.404     0    0.039   0.089     0.523   97.619   97.279
LGA    R    38_B      R    38_B     0.671     0    0.104   0.578     1.413   90.476   90.563
LGA    Q    39_B      Q    39_B     0.365     0    0.097   0.159     0.404  100.000  100.000
LGA    A    40_B      A    40_B     0.333     0    0.035   0.041     0.558   97.619   98.095
LGA    P    41_B      P    41_B     0.539     0    0.083   0.088     0.948   97.619   94.558
LGA    G    42_B      G    42_B     0.999     0    0.007   0.007     1.189   88.214   88.214
LGA    K    43_B      K    43_B     0.413     0    0.050   0.682     2.709   97.619   88.042
LGA    G    44_B      G    44_B     0.104     0    0.097   0.097     0.271  100.000  100.000
LGA    L    45_B      L    45_B     0.282     0    0.051   0.458     1.705   97.619   94.226
LGA    E    46_B      E    46_B     0.361     0    0.066   0.754     2.464   95.238   82.963
LGA    W    47_B      W    47_B     0.258     0    0.014   0.089     0.536  100.000   97.959
LGA    V    48_B      V    48_B     0.281     0    0.024   0.054     0.411  100.000  100.000
LGA    S    49_B      S    49_B     0.420     0    0.031   0.244     1.242   97.619   95.317
LGA    A    50_B      A    50_B     0.650     0    0.030   0.031     0.833   97.619   96.190
LGA    I    51_B      I    51_B     0.461     0    0.038   0.102     0.755   92.857   95.238
LGA    N    52_B      N    52_B     0.524     0    0.084   1.122     4.358   92.857   78.571
LGA    S    53_B      S    53_B     1.066     0    0.131   0.611     1.681   85.952   81.587
LGA    S    54_B      S    54_B     0.683     0    0.193   0.199     1.702   86.071   83.095
LGA    G    55_B      G    55_B     0.545     0    0.143   0.143     1.163   88.214   88.214
LGA    G    56_B      G    56_B     1.121     0    0.328   0.328     1.121   88.333   88.333
LGA    Y    57_B      Y    57_B     0.207     0    0.104   1.364     8.135   95.238   60.317
LGA    T    58_B      T    58_B     0.188     0    0.005   0.109     0.285  100.000  100.000
LGA    R    59_B      R    59_B     0.212     0    0.048   1.125     5.877  100.000   79.048
LGA    Y    60_B      Y    60_B     0.145     0    0.039   0.302     0.883  100.000   96.825
LGA    A    61_B      A    61_B     0.260     0    0.033   0.045     0.331  100.000  100.000
LGA    D    62_B      D    62_B     0.278     0    0.099   0.295     1.465   95.238   92.917
LGA    S    63_B      S    63_B     0.599     0    0.150   0.140     1.124   90.595   90.556
LGA    V    64_B      V    64_B     0.400     0    0.040   0.087     0.666  100.000   98.639
LGA    K    65_B      K    65_B     0.318     0    0.042   0.717     3.192  100.000   86.349
LGA    G    66_B      G    66_B     0.418     0    0.022   0.022     0.456  100.000  100.000
LGA    R    67_B      R    67_B     0.340     0    0.041   0.084     0.456  100.000  100.000
LGA    F    68_B      F    68_B     0.404     0    0.039   0.129     0.789   97.619   95.671
LGA    T    69_B      T    69_B     0.285     0    0.112   0.186     0.791   97.619   98.639
LGA    I    70_B      I    70_B     0.387     0    0.024   0.095     0.485  100.000  100.000
LGA    S    71_B      S    71_B     0.511     0    0.034   0.061     0.590   97.619   95.238
LGA    R    72_B      R    72_B     0.391     0    0.060   1.106     5.231  100.000   80.173
LGA    D    73_B      D    73_B     0.405     0    0.060   0.174     1.460  100.000   95.298
LGA    N    74_B      N    74_B     0.649     0    0.050   1.213     5.151   90.476   74.107
LGA    A    75_B      A    75_B     0.950     0    0.013   0.013     1.047   88.214   86.857
LGA    K    76_B      K    76_B     0.717     0    0.022   0.937     2.586   95.238   84.021
LGA    N    77_B      N    77_B     0.144     0    0.019   0.471     1.672   97.619   94.226
LGA    T    78_B      T    78_B     0.264     0    0.066   0.090     0.852  100.000   95.918
LGA    L    79_B      L    79_B     0.168     0    0.030   0.082     0.199  100.000  100.000
LGA    Y    80_B      Y    80_B     0.229     0    0.101   0.154     1.334   97.619   90.635
LGA    L    81_B      L    81_B     0.214     0    0.031   0.200     0.690  100.000   97.619
LGA    Q    82_B      Q    82_B     0.419     0    0.017   0.240     0.840  100.000   97.884
LGA    M    83_B      M    83_B     0.664     0    0.036   0.587     1.646   90.476   86.012
LGA    N    84_B      N    84_B     0.438     0    0.100   0.384     1.021   92.857   90.536
LGA    S    85_B      S    85_B     0.883     0    0.073   0.098     1.339   88.214   87.460
LGA    L    86_B      L    86_B     0.528     0    0.090   0.136     0.926   90.476   95.238
LGA    R    87_B      R    87_B     0.549     0    0.000   1.344     5.393   92.857   72.814
LGA    A    88_B      A    88_B     0.624     0    0.079   0.079     0.875   90.476   90.476
LGA    E    89_B      E    89_B     0.720     0    0.036   0.887     2.733   90.476   82.804
LGA    D    90_B      D    90_B     0.541     0    0.017   0.064     0.571   90.476   94.048
LGA    T    91_B      T    91_B     0.539     0    0.016   0.051     0.684   95.238   94.558
LGA    A    92_B      A    92_B     0.447     0    0.052   0.086     0.516   97.619   96.190
LGA    V    93_B      V    93_B     0.445     0    0.038   0.167     0.716   97.619   95.918
LGA    Y    94_B      Y    94_B     0.395     0    0.166   0.155     1.140   92.976   96.865
LGA    Y    95_B      Y    95_B     0.348     0    0.057   0.114     0.685  100.000   93.651
LGA    C    96_B      C    96_B     0.269     0    0.040   0.115     0.736  100.000   98.413
LGA    A    97_B      A    97_B     0.435     0    0.018   0.021     0.492  100.000  100.000
LGA    T    98_B      T    98_B     0.775     0    0.108   1.006     2.777   90.476   82.041
LGA    D    99_B      D    99_B     1.435     0    0.580   1.015     5.331   79.286   62.083
LGA    S   100_B      S   100_B     3.979     0    0.588   0.860     7.756   34.167   27.540
LGA    G   101_B      G   101_B     7.998     0    0.618   0.618    11.941    6.190    6.190
LGA    D   102_B      D   102_B    11.880     0    0.652   0.865    15.994    0.119    0.060
LGA    G   103_B      G   103_B    17.486     0    0.682   0.682    18.230    0.000    0.000
LGA    K   104_B      K   104_B    18.429     0    0.375   0.833    19.595    0.000    0.000
LGA    R   105_B      R   105_B    17.715     0    0.674   1.127    19.402    0.000    0.000
LGA    Y   106_B      Y   106_B    18.357     0    0.616   1.425    26.077    0.000    0.000
LGA    W   107_B      W   107_B    12.840     0    0.075   1.114    15.134    0.000    1.395
LGA    S   108_B      S   108_B     9.578     0    0.688   0.588    10.300    2.500    2.698
LGA    G   109_B      G   109_B     5.852     0    0.278   0.278     7.013   23.690   23.690
LGA    E   110_B      E   110_B     3.582     0    0.086   1.019     5.536   43.452   33.386
LGA    Y   111_B      Y   111_B     3.680     0    0.048   0.769    10.123   48.452   24.881
LGA    F   112_B      F   112_B     2.709     0    0.110   1.260     9.124   57.262   35.108
LGA    Y   113_B      Y   113_B     1.153     0    0.151   1.308     7.156   77.143   58.889
LGA    R   114_B      R   114_B     2.000     0    0.028   1.220     8.905   70.952   41.558
LGA    S   115_B      S   115_B     0.815     0    0.044   0.658     2.708   92.976   86.587
LGA    R   116_B      R   116_B     0.407     0    0.130   1.322     5.920   97.619   76.494
LGA    G   117_B      G   117_B     0.448     0    0.037   0.037     0.732   95.238   95.238
LGA    Q   118_B      Q   118_B     0.974     0    0.629   0.829     3.499   78.095   75.450
LGA    G   119_B      G   119_B     0.746     0    0.059   0.059     1.443   88.214   88.214
LGA    T   120_B      T   120_B     0.505     0    0.083   0.977     2.182   95.238   87.007
LGA    L   121_B      L   121_B     0.358     0    0.035   0.222     1.189   97.619   94.107
LGA    V   122_B      V   122_B     0.383     0    0.008   0.164     0.705  100.000   98.639
LGA    T   123_B      T   123_B     0.305     0    0.058   0.520     1.568   97.619   92.109
LGA    V   124_B      V   124_B     0.402     0    0.054   0.095     0.932   95.238   94.558
LGA    S   125_B      S   125_B     1.097     0    0.096   0.511     1.799   83.690   81.508
LGA    S   126_B      S   126_B     1.749     0    0.633   0.708     4.451   64.048   58.254

# 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):     3.530          3.557                  4.240           85.677   80.663

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.91    90.476    85.687    11.567

LGA_LOCAL      RMSD:   0.911  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.872  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.530  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.236495 * X  +   0.179909 * Y  +  -0.954831 * Z  + -38.353466
  Y_new =   0.934574 * X  +   0.310936 * Y  +  -0.172891 * Z  + -20.203552
  Z_new =   0.265786 * X  +  -0.933248 * Y  +  -0.241673 * Z  + -50.188404 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.818645 -0.269020 -1.824189   [DEG:  104.2007  -15.4137 -104.5183 ]
ZXZ: -1.391667  1.814886  2.864141   [DEG:  -79.7367  103.9853  164.1032 ]
 
# END of job
