
#######################################################
#                                                     #
#                        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       3.38     3.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.42     3.57
  LCS_AVERAGE:     67.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.93     3.64
  LCS_AVERAGE:     65.97

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  102  126     14   71  106  111  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V     2_B     V     2_B    101  102  126     36  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Q     3_B     Q     3_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L     4_B     L     4_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Q     5_B     Q     5_B    101  102  126     45  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     E     6_B     E     6_B    101  102  126     15  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S     7_B     S     7_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G     8_B     G     8_B    101  102  126     66  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G     9_B     G     9_B    101  102  126     14  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    10_B     G    10_B    101  102  126     38  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    11_B     L    11_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V    12_B     V    12_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Q    13_B     Q    13_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     P    14_B     P    14_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    15_B     G    15_B    101  102  126     38  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    16_B     G    16_B    101  102  126     67  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    17_B     S    17_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    18_B     L    18_B    101  102  126     68  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    19_B     R    19_B    101  102  126     68  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    20_B     L    20_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    21_B     S    21_B    101  102  126     66  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     C    22_B     C    22_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    23_B     A    23_B    101  102  126     52  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    24_B     A    24_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    25_B     S    25_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    26_B     G    26_B    101  102  126      8  100  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     F    27_B     F    27_B    101  102  126      8  101  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    28_B     R    28_B    101  102  126      8  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     F    29_B     F    29_B    101  102  126      8  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    30_B     S    30_B    101  102  126      8   41  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    31_B     S    31_B    101  102  126      8   98  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    32_B     Y    32_B    101  102  126     58  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     W    33_B     W    33_B    101  102  126     68  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     M    34_B     M    34_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    35_B     Y    35_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     W    36_B     W    36_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V    37_B     V    37_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    38_B     R    38_B    101  102  126     66  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Q    39_B     Q    39_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    40_B     A    40_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     P    41_B     P    41_B    101  102  126     52  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    42_B     G    42_B    101  102  126      3   66  104  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     K    43_B     K    43_B    101  102  126     66  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    44_B     G    44_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    45_B     L    45_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     E    46_B     E    46_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     W    47_B     W    47_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V    48_B     V    48_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    49_B     S    49_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    50_B     A    50_B    101  102  126     43  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     I    51_B     I    51_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     N    52_B     N    52_B    101  102  126     64  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    53_B     S    53_B    101  102  126     43  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    54_B     S    54_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    55_B     G    55_B    101  102  126     61  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    56_B     G    56_B    101  102  126      8   39  107  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    57_B     Y    57_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T    58_B     T    58_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    59_B     R    59_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    60_B     Y    60_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    61_B     A    61_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     D    62_B     D    62_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    63_B     S    63_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V    64_B     V    64_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     K    65_B     K    65_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G    66_B     G    66_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    67_B     R    67_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     F    68_B     F    68_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T    69_B     T    69_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     I    70_B     I    70_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    71_B     S    71_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    72_B     R    72_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     D    73_B     D    73_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     N    74_B     N    74_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    75_B     A    75_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     K    76_B     K    76_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     N    77_B     N    77_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T    78_B     T    78_B    101  102  126     67  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    79_B     L    79_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    80_B     Y    80_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    81_B     L    81_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Q    82_B     Q    82_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     M    83_B     M    83_B    101  102  126     60  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     N    84_B     N    84_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S    85_B     S    85_B    101  102  126     38  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L    86_B     L    86_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R    87_B     R    87_B    101  102  126     64  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    88_B     A    88_B    101  102  126     63  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     E    89_B     E    89_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     D    90_B     D    90_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T    91_B     T    91_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    92_B     A    92_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V    93_B     V    93_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    94_B     Y    94_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y    95_B     Y    95_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     C    96_B     C    96_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     A    97_B     A    97_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T    98_B     T    98_B    101  102  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     D    99_B     D    99_B    101  102  126      3   98  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S   100_B     S   100_B    101  102  126      3   24   44   83  110  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G   101_B     G   101_B    101  102  126      3    8   30   55   99  109  114  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     D   102_B     D   102_B      5  102  126      3    4    6    8   14   27   48   79   92  107  114  118  120  120  121  122  124  125  125  125 
LCS_GDT     G   103_B     G   103_B      5    8  126      3    4    6    8   10   11   12   14   16   20   27   43   82  111  119  121  124  125  125  125 
LCS_GDT     K   104_B     K   104_B      3    8  126      3    3    4    6    7   10   11   14   16   20   25   28   35   47   61   88  110  121  123  124 
LCS_GDT     R   105_B     R   105_B      4    8  126      3    4    4    6    7   10   13   17   25   43   82   97  111  117  120  121  124  125  125  125 
LCS_GDT     Y   106_B     Y   106_B      4    8  126      3    4    4    6    9   19   26   29   64   81   95  109  115  119  121  122  124  125  125  125 
LCS_GDT     W   107_B     W   107_B      4    5  126      3    4    4    6    9   12   26   38   59   80   94  103  115  119  121  122  124  125  125  125 
LCS_GDT     S   108_B     S   108_B      4    8  126      3    4    4    6    9   47   67   90  107  114  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G   109_B     G   109_B      4    8  126      3    3    5    6   16   32   55   64   88  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     E   110_B     E   110_B      6   17  126      3    5    7   12   33   46   67  103  115  117  118  118  120  120  121  121  123  125  125  125 
LCS_GDT     Y   111_B     Y   111_B      8   17  126      3    5   20   41   73  108  114  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     F   112_B     F   112_B     15   17  126      8   36  100  111  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     11   88  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R   114_B     R   114_B     15   17  126      4   71  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S   115_B     S   115_B     15   17  126     45  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     R   116_B     R   116_B     15   17  126     63  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G   117_B     G   117_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     29  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     G   119_B     G   119_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T   120_B     T   120_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     L   121_B     L   121_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V   122_B     V   122_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     T   123_B     T   123_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     V   124_B     V   124_B     15   17  126     69  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S   125_B     S   125_B     15   17  126     36  102  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_GDT     S   126_B     S   126_B     15   17  126     28   85  108  112  114  114  115  116  116  117  118  119  120  120  121  122  124  125  125  125 
LCS_AVERAGE  LCS_A:  77.88  (  65.97   67.69  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     69    102    108    112    114    114    115    116    116    117    118    119    120    120    121    122    124    125    125    125 
GDT PERCENT_AT  54.76  80.95  85.71  88.89  90.48  90.48  91.27  92.06  92.06  92.86  93.65  94.44  95.24  95.24  96.03  96.83  98.41  99.21  99.21  99.21
GDT RMS_LOCAL    0.35   0.50   0.58   0.68   0.76   0.76   0.82   0.93   0.93   1.06   1.24   1.53   1.65   1.65   1.92   2.43   2.98   3.04   3.04   3.04
GDT RMS_ALL_AT   3.73   3.72   3.72   3.73   3.72   3.72   3.71   3.70   3.70   3.67   3.67   3.59   3.59   3.59   3.54   3.44   3.39   3.39   3.39   3.39

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  E     6_B      E     6_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:  Y    60_B      Y    60_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  F   112_B      F   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.454     0    0.194   0.809     5.233   62.857   48.307
LGA    V     2_B      V     2_B     1.040     0    0.185   0.333     1.972   81.548   81.565
LGA    Q     3_B      Q     3_B     0.388     0    0.031   1.022     4.127  100.000   78.148
LGA    L     4_B      L     4_B     0.306     0    0.019   0.472     1.193   95.238   92.976
LGA    Q     5_B      Q     5_B     0.644     0    0.084   0.974     2.907   90.476   79.153
LGA    E     6_B      E     6_B     0.780     0    0.055   0.786     2.101   90.476   84.656
LGA    S     7_B      S     7_B     0.433     0    0.083   0.169     0.566   97.619   98.413
LGA    G     8_B      G     8_B     0.732     0    0.083   0.083     0.946   90.476   90.476
LGA    G     9_B      G     9_B     0.938     0    0.021   0.021     0.946   90.476   90.476
LGA    G    10_B      G    10_B     0.724     0    0.038   0.038     0.895   90.476   90.476
LGA    L    11_B      L    11_B     0.512     0    0.119   0.432     1.349   90.476   89.345
LGA    V    12_B      V    12_B     0.085     0    0.075   1.034     2.294  100.000   89.932
LGA    Q    13_B      Q    13_B     0.288     0    0.042   1.213     4.109   97.619   80.952
LGA    P    14_B      P    14_B     0.324     0    0.040   0.085     0.601  100.000   98.639
LGA    G    15_B      G    15_B     0.736     0    0.174   0.174     0.736   92.857   92.857
LGA    G    16_B      G    16_B     0.578     0    0.044   0.044     0.703   90.476   90.476
LGA    S    17_B      S    17_B     0.423     0    0.032   0.089     0.779  100.000   96.825
LGA    L    18_B      L    18_B     0.605     0    0.081   1.162     3.509   92.857   84.643
LGA    R    19_B      R    19_B     0.608     0    0.105   1.060     4.099   88.214   79.264
LGA    L    20_B      L    20_B     0.402     0    0.034   1.123     2.594  100.000   87.857
LGA    S    21_B      S    21_B     0.592     0    0.061   0.203     0.877   92.857   92.063
LGA    C    22_B      C    22_B     0.427     0    0.011   0.146     0.558   97.619   96.825
LGA    A    23_B      A    23_B     0.756     0    0.125   0.155     0.932   90.476   90.476
LGA    A    24_B      A    24_B     0.267     0    0.058   0.091     0.999   97.619   96.190
LGA    S    25_B      S    25_B     0.193     0    0.071   0.077     0.737   95.238   96.825
LGA    G    26_B      G    26_B     1.316     0    0.056   0.056     1.602   81.548   81.548
LGA    F    27_B      F    27_B     1.185     0    0.080   0.297     1.248   81.429   81.429
LGA    R    28_B      R    28_B     0.930     0    0.089   0.767     5.746   88.214   58.874
LGA    F    29_B      F    29_B     0.876     0    0.018   0.118     0.972   90.476   90.476
LGA    S    30_B      S    30_B     1.305     0    0.062   0.101     1.800   81.429   78.571
LGA    S    31_B      S    31_B     1.266     0    0.054   0.082     1.430   81.429   81.429
LGA    Y    32_B      Y    32_B     0.841     0    0.018   0.249     2.768   92.857   79.921
LGA    W    33_B      W    33_B     0.626     0    0.052   0.076     0.902   90.476   90.476
LGA    M    34_B      M    34_B     0.483     0    0.025   0.873     3.578  100.000   91.726
LGA    Y    35_B      Y    35_B     0.380     0    0.037   0.251     1.092   97.619   93.690
LGA    W    36_B      W    36_B     0.384     0    0.045   0.179     0.541  100.000   99.320
LGA    V    37_B      V    37_B     0.457     0    0.031   0.076     0.607   92.857   94.558
LGA    R    38_B      R    38_B     0.661     0    0.109   0.581     1.402   90.476   91.429
LGA    Q    39_B      Q    39_B     0.397     0    0.096   0.150     0.485  100.000  100.000
LGA    A    40_B      A    40_B     0.492     0    0.041   0.048     0.547  100.000   98.095
LGA    P    41_B      P    41_B     0.637     0    0.627   0.587     2.647   82.143   85.714
LGA    G    42_B      G    42_B     2.112     0    0.087   0.087     2.366   68.810   68.810
LGA    K    43_B      K    43_B     0.686     0    0.082   0.352     4.048   92.976   76.349
LGA    G    44_B      G    44_B     0.275     0    0.124   0.124     0.448  100.000  100.000
LGA    L    45_B      L    45_B     0.210     0    0.053   0.466     1.500  100.000   96.488
LGA    E    46_B      E    46_B     0.336     0    0.028   0.302     1.462   97.619   92.646
LGA    W    47_B      W    47_B     0.394     0    0.031   0.151     0.671  100.000   96.599
LGA    V    48_B      V    48_B     0.318     0    0.030   0.058     0.360  100.000  100.000
LGA    S    49_B      S    49_B     0.485     0    0.036   0.245     1.362   95.238   92.143
LGA    A    50_B      A    50_B     0.688     0    0.034   0.040     0.873   95.238   94.286
LGA    I    51_B      I    51_B     0.483     0    0.033   0.125     0.782   92.857   95.238
LGA    N    52_B      N    52_B     0.717     0    0.032   0.321     1.273   92.857   90.536
LGA    S    53_B      S    53_B     0.961     0    0.140   0.560     1.734   90.476   86.032
LGA    S    54_B      S    54_B     0.435     0    0.165   0.168     0.607   95.238   93.651
LGA    G    55_B      G    55_B     0.821     0    0.703   0.703     2.686   82.143   82.143
LGA    G    56_B      G    56_B     2.088     0    0.037   0.037     2.088   73.095   73.095
LGA    Y    57_B      Y    57_B     0.455     0    0.143   0.262     1.210   92.857   92.143
LGA    T    58_B      T    58_B     0.161     0    0.021   0.102     0.376  100.000  100.000
LGA    R    59_B      R    59_B     0.168     0    0.049   0.747     1.920  100.000   88.312
LGA    Y    60_B      Y    60_B     0.144     0    0.049   0.319     0.757  100.000   96.825
LGA    A    61_B      A    61_B     0.229     0    0.036   0.051     0.307  100.000  100.000
LGA    D    62_B      D    62_B     0.300     0    0.105   0.308     1.383   95.238   92.917
LGA    S    63_B      S    63_B     0.504     0    0.166   0.160     1.021   90.595   90.556
LGA    V    64_B      V    64_B     0.394     0    0.046   0.095     0.729  100.000   98.639
LGA    K    65_B      K    65_B     0.280     0    0.044   0.720     3.273  100.000   86.349
LGA    G    66_B      G    66_B     0.357     0    0.023   0.023     0.413  100.000  100.000
LGA    R    67_B      R    67_B     0.321     0    0.046   0.085     0.439  100.000  100.000
LGA    F    68_B      F    68_B     0.353     0    0.040   0.123     0.821   97.619   95.671
LGA    T    69_B      T    69_B     0.258     0    0.110   0.186     0.801   97.619   97.279
LGA    I    70_B      I    70_B     0.426     0    0.015   0.113     0.629  100.000   97.619
LGA    S    71_B      S    71_B     0.504     0    0.052   0.062     0.636   97.619   95.238
LGA    R    72_B      R    72_B     0.343     0    0.055   0.727     2.129  100.000   90.909
LGA    D    73_B      D    73_B     0.314     0    0.059   0.418     0.954  100.000   97.619
LGA    N    74_B      N    74_B     0.456     0    0.033   0.919     2.416   97.619   88.631
LGA    A    75_B      A    75_B     0.450     0    0.057   0.063     0.565   97.619   98.095
LGA    K    76_B      K    76_B     0.472     0    0.060   0.938     2.889   97.619   87.090
LGA    N    77_B      N    77_B     0.368     0    0.007   0.358     1.205   97.619   95.298
LGA    T    78_B      T    78_B     0.525     0    0.084   1.034     2.396   95.238   87.211
LGA    L    79_B      L    79_B     0.237     0    0.048   0.120     0.444  100.000  100.000
LGA    Y    80_B      Y    80_B     0.273     0    0.091   0.156     1.334   97.619   92.976
LGA    L    81_B      L    81_B     0.273     0    0.026   0.193     0.664  100.000   97.619
LGA    Q    82_B      Q    82_B     0.510     0    0.017   0.268     1.093   97.619   92.646
LGA    M    83_B      M    83_B     0.625     0    0.035   0.560     1.431   90.476   87.083
LGA    N    84_B      N    84_B     0.397     0    0.090   0.377     0.964   92.857   94.048
LGA    S    85_B      S    85_B     0.858     0    0.076   0.099     1.287   88.214   87.460
LGA    L    86_B      L    86_B     0.546     0    0.072   0.158     0.850   90.476   94.048
LGA    R    87_B      R    87_B     0.646     0    0.045   1.445     6.734   90.476   67.056
LGA    A    88_B      A    88_B     0.680     0    0.649   0.640     3.694   76.429   81.143
LGA    E    89_B      E    89_B     0.415     0    0.166   1.395     5.184   97.619   72.222
LGA    D    90_B      D    90_B     0.373     0    0.050   0.089     0.519  100.000   98.810
LGA    T    91_B      T    91_B     0.482     0    0.024   0.052     0.682  100.000   95.918
LGA    A    92_B      A    92_B     0.449     0    0.055   0.091     0.511   97.619   98.095
LGA    V    93_B      V    93_B     0.468     0    0.040   0.176     0.676   95.238   94.558
LGA    Y    94_B      Y    94_B     0.448     0    0.155   0.131     1.054   92.976   97.659
LGA    Y    95_B      Y    95_B     0.396     0    0.101   0.186     0.557  100.000   99.206
LGA    C    96_B      C    96_B     0.445     0    0.061   0.577     1.126  100.000   95.317
LGA    A    97_B      A    97_B     0.341     0    0.025   0.028     0.447  100.000  100.000
LGA    T    98_B      T    98_B     0.530     0    0.116   1.006     2.900   97.619   87.279
LGA    D    99_B      D    99_B     1.303     0    0.596   1.062     5.490   81.548   63.214
LGA    S   100_B      S   100_B     3.592     0    0.105   0.094     6.798   36.905   29.683
LGA    G   101_B      G   101_B     5.600     0    0.524   0.524     8.822   20.357   20.357
LGA    D   102_B      D   102_B    11.449     0    0.233   1.162    14.941    0.357    0.179
LGA    G   103_B      G   103_B    15.524     0    0.530   0.530    17.116    0.000    0.000
LGA    K   104_B      K   104_B    19.387     0    0.681   0.949    25.105    0.000    0.000
LGA    R   105_B      R   105_B    15.900     0    0.118   1.191    16.928    0.000    1.255
LGA    Y   106_B      Y   106_B    14.137     0    0.445   0.390    19.107    0.000    0.000
LGA    W   107_B      W   107_B    13.705     0    0.200   1.378    17.674    0.000    0.000
LGA    S   108_B      S   108_B     9.066     0    0.212   0.673    10.303    2.262    3.968
LGA    G   109_B      G   109_B     8.658     0    0.574   0.574     8.674    7.262    7.262
LGA    E   110_B      E   110_B     7.172     0    0.520   1.001    10.954   11.905    5.608
LGA    Y   111_B      Y   111_B     4.769     0    0.114   1.391     6.607   34.881   33.611
LGA    F   112_B      F   112_B     2.692     0    0.029   0.134     3.667   53.810   54.156
LGA    Y   113_B      Y   113_B     1.379     0    0.130   1.349     6.508   75.000   62.659
LGA    R   114_B      R   114_B     1.761     0    0.037   0.615     2.587   72.976   76.190
LGA    S   115_B      S   115_B     0.671     0    0.047   0.652     2.726   95.238   88.095
LGA    R   116_B      R   116_B     0.546     0    0.116   1.265     5.490   92.857   75.671
LGA    G   117_B      G   117_B     0.354     0    0.029   0.029     0.493  100.000  100.000
LGA    Q   118_B      Q   118_B     0.640     0    0.050   0.874     3.300   90.476   78.307
LGA    G   119_B      G   119_B     0.407     0    0.025   0.025     0.435  100.000  100.000
LGA    T   120_B      T   120_B     0.277     0    0.028   1.043     2.510  100.000   88.639
LGA    L   121_B      L   121_B     0.263     0    0.034   0.229     0.923   97.619   97.619
LGA    V   122_B      V   122_B     0.350     0    0.018   0.133     0.496  100.000  100.000
LGA    T   123_B      T   123_B     0.329     0    0.055   0.512     1.609   97.619   92.109
LGA    V   124_B      V   124_B     0.344     0    0.055   0.087     0.802   95.238   93.197
LGA    S   125_B      S   125_B     0.862     0    0.106   0.512     1.824   90.476   86.032
LGA    S   126_B      S   126_B     1.663     0    0.573   0.650     4.688   62.619   58.413

# 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):     3.379          3.380                  3.975           85.122   81.420

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.93    89.683    84.859    11.217

LGA_LOCAL      RMSD:   0.934  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.705  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.379  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.603298 * X  +  -0.429786 * Y  +   0.671800 * Z  + -36.304085
  Y_new =  -0.573148 * X  +   0.352089 * Y  +   0.739955 * Z  + -17.711243
  Z_new =  -0.554556 * X  +  -0.831455 * Y  +  -0.033917 * Z  + -49.273323 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.759776  0.587830 -1.611566   [DEG:  -43.5320   33.6802  -92.3359 ]
ZXZ:  2.404434  1.604719 -2.553379   [DEG:  137.7639   91.9436 -146.2979 ]
 
# END of job
