
#######################################################
#                                                     #
#                        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       2.67     2.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.97     2.67
  LCS_AVERAGE:     70.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.79     2.76
  LCS_AVERAGE:     65.89

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  104  126     11   69  111  113  113  114  116  116  117  117  118  119  120  122  123  123  125  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  104  126     28  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  104  126     76  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  104  126     54  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  104  126     93  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  104  126      5   69  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  104  126     68  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  104  126     80  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  104  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  104  126     24  104  110  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  104  126      3   10   21   67  110  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  104  126      3   11   35   83  104  112  114  115  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     D   102_B     D   102_B      3  104  126      3    4   17   39   66   95  109  114  116  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  104  126      3    5    6    8   11   17   27   34   43   55   67  109  119  122  123  124  125  126  126  126 
LCS_GDT     K   104_B     K   104_B      5  104  126      3    4    6    8   14   22   27   49   96  112  116  118  121  122  123  124  125  126  126  126 
LCS_GDT     R   105_B     R   105_B      5   10  126      3    5    6    8   16   22   47   87  108  114  117  118  121  122  123  124  125  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      1    5    6    8   15   21   84  104  112  115  117  119  121  122  123  124  125  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      2    5   25   36   70   99  109  114  116  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S   108_B     S   108_B      5   10  126      4    5    6    8    9   10   11   12   14   24  116  119  121  122  123  124  125  126  126  126 
LCS_GDT     G   109_B     G   109_B      5   18  126      4    5   17   57  110  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     E   110_B     E   110_B      8   18  126      4    7   10   14   24   38   61   84  102  115  118  119  119  120  120  122  125  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      8   18  126      4    7   10   17   41   61   85  116  117  117  118  119  120  121  121  124  125  126  126  126 
LCS_GDT     F   112_B     F   112_B     10   18  126      3    5   15   74  108  114  116  116  117  117  118  119  120  121  121  124  125  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     14   18  126      3  106  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R   114_B     R   114_B     14   18  126     22  103  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S   115_B     S   115_B     14   18  126     90  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     R   116_B     R   116_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G   117_B     G   117_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     G   119_B     G   119_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T   120_B     T   120_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     L   121_B     L   121_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V   122_B     V   122_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     T   123_B     T   123_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     V   124_B     V   124_B     14   18  126     95  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S   125_B     S   125_B     14   18  126     79  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_GDT     S   126_B     S   126_B     14   18  126      4  107  111  113  113  114  116  116  117  117  118  119  121  122  123  124  125  126  126  126 
LCS_AVERAGE  LCS_A:  78.77  (  65.89   70.42  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     95    107    111    113    113    114    116    116    117    117    118    119    121    122    123    124    125    126    126    126 
GDT PERCENT_AT  75.40  84.92  88.10  89.68  89.68  90.48  92.06  92.06  92.86  92.86  93.65  94.44  96.03  96.83  97.62  98.41  99.21 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.36   0.45   0.51   0.51   0.63   0.83   0.83   0.96   0.96   1.30   1.53   2.13   2.14   2.38   2.51   2.52   2.67   2.67   2.67
GDT RMS_ALL_AT   2.77   2.79   2.80   2.81   2.81   2.81   2.83   2.83   2.80   2.80   2.71   2.69   2.67   2.67   2.69   2.67   2.67   2.67   2.67   2.67

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  E    46_B      E    46_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.965     0    0.105   0.674     3.006   71.071   69.577
LGA    V     2_B      V     2_B     1.136     0    0.090   0.258     1.604   85.952   84.082
LGA    Q     3_B      Q     3_B     0.683     0    0.113   0.516     1.785   95.238   90.688
LGA    L     4_B      L     4_B     0.424     0    0.124   0.426     0.977   95.238   95.238
LGA    Q     5_B      Q     5_B     0.265     0    0.036   0.972     3.325  100.000   81.958
LGA    E     6_B      E     6_B     0.149     0    0.079   0.174     0.549  100.000   98.942
LGA    S     7_B      S     7_B     0.171     0    0.059   0.201     0.641  100.000   98.413
LGA    G     8_B      G     8_B     0.348     0    0.028   0.028     0.549   97.619   97.619
LGA    G     9_B      G     9_B     0.310     0    0.056   0.056     0.749   97.619   97.619
LGA    G    10_B      G    10_B     0.305     0    0.032   0.032     0.411  100.000  100.000
LGA    L    11_B      L    11_B     0.464     0    0.061   0.421     1.131   97.619   94.107
LGA    V    12_B      V    12_B     0.466     0    0.026   1.238     2.461   97.619   87.211
LGA    Q    13_B      Q    13_B     0.474     0    0.012   1.225     2.923  100.000   86.138
LGA    P    14_B      P    14_B     0.344     0    0.039   0.111     0.638   97.619   95.918
LGA    G    15_B      G    15_B     0.550     0    0.179   0.179     0.550   97.619   97.619
LGA    G    16_B      G    16_B     0.368     0    0.059   0.059     0.604   97.619   97.619
LGA    S    17_B      S    17_B     0.241     0    0.036   0.060     0.563  100.000   98.413
LGA    L    18_B      L    18_B     0.209     0    0.014   0.130     0.570  100.000   98.810
LGA    R    19_B      R    19_B     0.195     0    0.039   0.358     0.827   97.619   96.537
LGA    L    20_B      L    20_B     0.160     0    0.024   1.220     2.596  100.000   89.048
LGA    S    21_B      S    21_B     0.278     0    0.069   0.725     2.307  100.000   94.127
LGA    C    22_B      C    22_B     0.389     0    0.052   0.068     0.507   97.619   98.413
LGA    A    23_B      A    23_B     0.328     0    0.031   0.052     0.429  100.000  100.000
LGA    A    24_B      A    24_B     0.327     0    0.098   0.126     0.763   97.619   96.190
LGA    S    25_B      S    25_B     0.420     0    0.044   0.122     0.549  100.000   96.825
LGA    G    26_B      G    26_B     0.269     0    0.061   0.061     0.311  100.000  100.000
LGA    F    27_B      F    27_B     0.368     0    0.038   0.187     0.514  100.000   99.134
LGA    R    28_B      R    28_B     0.310     0    0.018   0.902     3.499  100.000   86.320
LGA    F    29_B      F    29_B     0.287     0    0.014   0.082     0.640  100.000   98.268
LGA    S    30_B      S    30_B     0.491     0    0.056   0.150     0.894   95.238   93.651
LGA    S    31_B      S    31_B     0.661     0    0.100   0.630     1.214   97.619   92.222
LGA    Y    32_B      Y    32_B     0.387     0    0.047   0.226     1.192   97.619   92.103
LGA    W    33_B      W    33_B     0.217     0    0.018   0.101     0.830  100.000   97.959
LGA    M    34_B      M    34_B     0.319     0    0.017   0.822     2.575  100.000   93.452
LGA    Y    35_B      Y    35_B     0.246     0    0.051   0.219     1.292  100.000   93.730
LGA    W    36_B      W    36_B     0.278     0    0.041   0.116     0.408  100.000  100.000
LGA    V    37_B      V    37_B     0.196     0    0.085   0.893     2.142  100.000   91.088
LGA    R    38_B      R    38_B     0.216     0    0.015   0.130     0.701  100.000   98.268
LGA    Q    39_B      Q    39_B     0.200     0    0.060   0.086     0.445  100.000  100.000
LGA    A    40_B      A    40_B     0.163     0    0.026   0.036     0.439  100.000  100.000
LGA    P    41_B      P    41_B     0.570     0    0.066   0.091     0.684   92.857   93.197
LGA    G    42_B      G    42_B     0.690     0    0.057   0.057     0.851   90.476   90.476
LGA    K    43_B      K    43_B     0.558     0    0.072   0.240     2.027   97.619   87.831
LGA    G    44_B      G    44_B     0.558     0    0.047   0.047     0.560   90.476   90.476
LGA    L    45_B      L    45_B     0.479     0    0.024   1.238     3.307   97.619   86.726
LGA    E    46_B      E    46_B     0.157     0    0.075   0.263     1.084   97.619   93.704
LGA    W    47_B      W    47_B     0.313     0    0.036   0.090     0.544  100.000   98.639
LGA    V    48_B      V    48_B     0.368     0    0.017   0.040     0.403  100.000  100.000
LGA    S    49_B      S    49_B     0.467     0    0.016   0.292     1.056  100.000   96.905
LGA    A    50_B      A    50_B     0.352     0    0.030   0.037     0.369  100.000  100.000
LGA    I    51_B      I    51_B     0.398     0    0.039   0.104     0.778   97.619   95.238
LGA    N    52_B      N    52_B     0.181     0    0.043   0.156     0.753  100.000   98.810
LGA    S    53_B      S    53_B     0.461     0    0.048   0.346     1.141   95.238   93.730
LGA    S    54_B      S    54_B     0.615     0    0.105   0.115     1.196   90.595   90.556
LGA    G    55_B      G    55_B     0.180     0    0.762   0.762     2.729   89.286   89.286
LGA    G    56_B      G    56_B     1.598     0    0.062   0.062     1.749   81.667   81.667
LGA    Y    57_B      Y    57_B     0.344     0    0.113   0.308     0.926   97.619   92.857
LGA    T    58_B      T    58_B     0.279     0    0.046   0.126     0.383  100.000  100.000
LGA    R    59_B      R    59_B     0.113     0    0.025   1.144     5.127  100.000   82.338
LGA    Y    60_B      Y    60_B     0.287     0    0.035   0.217     0.750  100.000   96.825
LGA    A    61_B      A    61_B     0.381     0    0.036   0.059     0.428  100.000  100.000
LGA    D    62_B      D    62_B     0.481     0    0.057   0.379     1.917   97.619   93.036
LGA    S    63_B      S    63_B     0.281     0    0.085   0.111     0.782   97.619   98.413
LGA    V    64_B      V    64_B     0.319     0    0.039   0.108     0.415  100.000  100.000
LGA    K    65_B      K    65_B     0.202     0    0.036   0.745     3.048  100.000   89.471
LGA    G    66_B      G    66_B     0.298     0    0.037   0.037     0.337  100.000  100.000
LGA    R    67_B      R    67_B     0.397     0    0.047   0.122     0.748  100.000   93.939
LGA    F    68_B      F    68_B     0.267     0    0.075   0.147     0.842   97.619   99.134
LGA    T    69_B      T    69_B     0.198     0    0.062   0.115     0.387  100.000  100.000
LGA    I    70_B      I    70_B     0.250     0    0.034   0.062     0.346  100.000  100.000
LGA    S    71_B      S    71_B     0.533     0    0.023   0.080     0.615   97.619   95.238
LGA    R    72_B      R    72_B     0.220     0    0.042   0.214     0.824  100.000   96.537
LGA    D    73_B      D    73_B     0.348     0    0.022   0.224     1.304   97.619   94.107
LGA    N    74_B      N    74_B     0.272     0    0.031   0.875     2.240  100.000   93.274
LGA    A    75_B      A    75_B     0.642     0    0.021   0.024     0.786   92.857   92.381
LGA    K    76_B      K    76_B     0.351     0    0.010   0.325     1.464  100.000   96.878
LGA    N    77_B      N    77_B     0.267     0    0.017   0.364     1.227   97.619   95.298
LGA    T    78_B      T    78_B     0.308     0    0.057   0.099     0.625  100.000   98.639
LGA    L    79_B      L    79_B     0.099     0    0.031   0.097     0.217  100.000  100.000
LGA    Y    80_B      Y    80_B     0.168     0    0.094   0.254     1.084   97.619   96.071
LGA    L    81_B      L    81_B     0.192     0    0.024   0.250     0.727  100.000   98.810
LGA    Q    82_B      Q    82_B     0.173     0    0.050   0.133     0.337  100.000  100.000
LGA    M    83_B      M    83_B     0.295     0    0.016   0.750     2.198  100.000   94.405
LGA    N    84_B      N    84_B     0.314     0    0.089   0.378     1.125   97.619   95.298
LGA    S    85_B      S    85_B     0.836     0    0.054   0.115     1.035   88.214   87.460
LGA    L    86_B      L    86_B     0.419     0    0.073   0.103     0.778   97.619   98.810
LGA    R    87_B      R    87_B     0.290     0    0.015   0.169     1.279  100.000   94.848
LGA    A    88_B      A    88_B     0.272     0    0.049   0.048     0.421  100.000  100.000
LGA    E    89_B      E    89_B     0.483     0    0.016   0.460     1.739   97.619   91.746
LGA    D    90_B      D    90_B     0.225     0    0.030   0.095     0.353  100.000  100.000
LGA    T    91_B      T    91_B     0.097     0    0.083   0.075     0.305  100.000  100.000
LGA    A    92_B      A    92_B     0.210     0    0.066   0.098     0.341  100.000  100.000
LGA    V    93_B      V    93_B     0.040     0    0.030   0.248     0.619  100.000   98.639
LGA    Y    94_B      Y    94_B     0.054     0    0.082   0.112     0.629  100.000   99.206
LGA    Y    95_B      Y    95_B     0.383     0    0.091   0.136     0.697   97.619   96.825
LGA    C    96_B      C    96_B     0.306     0    0.050   0.187     0.452  100.000  100.000
LGA    A    97_B      A    97_B     0.427     0    0.012   0.029     0.461  100.000  100.000
LGA    T    98_B      T    98_B     0.645     0    0.047   0.076     1.068   88.214   89.184
LGA    D    99_B      D    99_B     1.744     0    0.559   1.159     5.642   77.143   58.631
LGA    S   100_B      S   100_B     3.898     0    0.719   0.895     8.425   43.452   31.984
LGA    G   101_B      G   101_B     5.419     0    0.611   0.611     8.923   19.048   19.048
LGA    D   102_B      D   102_B     8.583     0    0.074   0.307    12.814    4.048    2.381
LGA    G   103_B      G   103_B    13.716     0    0.699   0.699    13.716    0.000    0.000
LGA    K   104_B      K   104_B    12.859     0    0.217   0.890    13.617    0.000    0.000
LGA    R   105_B      R   105_B    11.794     0    0.453   0.866    13.093    0.000    0.000
LGA    Y   106_B      Y   106_B     9.957     0    0.254   0.265    18.199    5.714    1.905
LGA    W   107_B      W   107_B     7.429     0    0.223   1.058     9.939    5.357    6.939
LGA    S   108_B      S   108_B     7.897     0    0.442   0.388    10.129   11.190    7.540
LGA    G   109_B      G   109_B     3.911     0    0.173   0.173     6.158   30.952   30.952
LGA    E   110_B      E   110_B     8.627     0    0.256   1.050    15.382    5.357    2.381
LGA    Y   111_B      Y   111_B     6.446     0    0.180   0.177    16.180   27.976   10.198
LGA    F   112_B      F   112_B     4.252     0    0.345   0.293     7.240   39.167   25.887
LGA    Y   113_B      Y   113_B     1.433     0    0.162   1.162     6.154   73.095   61.230
LGA    R   114_B      R   114_B     1.369     0    0.030   1.181     7.927   81.548   50.130
LGA    S   115_B      S   115_B     0.555     0    0.021   0.698     2.756   95.238   88.095
LGA    R   116_B      R   116_B     0.483     0    0.103   0.664     1.385  100.000   92.381
LGA    G   117_B      G   117_B     0.252     0    0.035   0.035     0.331  100.000  100.000
LGA    Q   118_B      Q   118_B     0.258     0    0.045   0.881     4.754  100.000   75.714
LGA    G   119_B      G   119_B     0.372     0    0.028   0.028     0.372  100.000  100.000
LGA    T   120_B      T   120_B     0.126     0    0.025   0.084     0.486  100.000  100.000
LGA    L   121_B      L   121_B     0.272     0    0.019   0.270     0.900  100.000   97.619
LGA    V   122_B      V   122_B     0.282     0    0.006   0.091     0.432  100.000  100.000
LGA    T   123_B      T   123_B     0.157     0    0.092   0.481     1.126  100.000   94.694
LGA    V   124_B      V   124_B     0.082     0    0.065   0.067     0.500  100.000   98.639
LGA    S   125_B      S   125_B     0.764     0    0.051   0.106     0.978   90.476   90.476
LGA    S   126_B      S   126_B     1.281     0    0.291   0.910     5.096   62.024   64.286

# 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):     2.666          2.668                  3.406           88.474   85.122

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.83    91.270    86.270    12.515

LGA_LOCAL      RMSD:   0.827  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.828  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.666  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.643424 * X  +   0.254241 * Y  +   0.722058 * Z  + -32.374409
  Y_new =   0.575645 * X  +  -0.782465 * Y  +  -0.237445 * Z  + -12.017256
  Z_new =   0.504617 * X  +   0.568427 * Y  +  -0.649809 * Z  + -67.081444 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.729857 -0.528938  2.422899   [DEG:   41.8177  -30.3059  138.8219 ]
ZXZ:  1.253091  2.278130  0.726002   [DEG:   71.7968  130.5272   41.5968 ]
 
# END of job
