
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       2.63     2.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.88     2.63
  LCS_AVERAGE:     70.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       0.95     2.69
  LCS_AVERAGE:     67.21

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    102  104  126     52  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V     2_B     V     2_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L     4_B     L     4_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     E     6_B     E     6_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S     7_B     S     7_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G     8_B     G     8_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G     9_B     G     9_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    10_B     G    10_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    11_B     L    11_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V    12_B     V    12_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     P    14_B     P    14_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    15_B     G    15_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    16_B     G    16_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    17_B     S    17_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    18_B     L    18_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    19_B     R    19_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    20_B     L    20_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    21_B     S    21_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     C    22_B     C    22_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    24_B     A    24_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    25_B     S    25_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    26_B     G    26_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     F    27_B     F    27_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    28_B     R    28_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     F    29_B     F    29_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    30_B     S    30_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    31_B     S    31_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     W    33_B     W    33_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     M    34_B     M    34_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     W    36_B     W    36_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V    37_B     V    37_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    38_B     R    38_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     P    41_B     P    41_B    102  104  126     89  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    42_B     G    42_B    102  104  126     85  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     K    43_B     K    43_B    102  104  126     89  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    44_B     G    44_B    102  104  126     41  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    45_B     L    45_B    102  104  126     88  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     E    46_B     E    46_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     W    47_B     W    47_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V    48_B     V    48_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    49_B     S    49_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    50_B     A    50_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     I    51_B     I    51_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     N    52_B     N    52_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    53_B     S    53_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    54_B     S    54_B    102  104  126     85  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    55_B     G    55_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    56_B     G    56_B    102  104  126     14   95  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T    58_B     T    58_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    59_B     R    59_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    61_B     A    61_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     D    62_B     D    62_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    63_B     S    63_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V    64_B     V    64_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     K    65_B     K    65_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G    66_B     G    66_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    67_B     R    67_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     F    68_B     F    68_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T    69_B     T    69_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     I    70_B     I    70_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    71_B     S    71_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    72_B     R    72_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     D    73_B     D    73_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     N    74_B     N    74_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    75_B     A    75_B    102  104  126     64  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     K    76_B     K    76_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     N    77_B     N    77_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T    78_B     T    78_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    79_B     L    79_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    81_B     L    81_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     M    83_B     M    83_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     N    84_B     N    84_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S    85_B     S    85_B    102  104  126     72  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L    86_B     L    86_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R    87_B     R    87_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    88_B     A    88_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     E    89_B     E    89_B    102  104  126     90  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     D    90_B     D    90_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T    91_B     T    91_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    92_B     A    92_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V    93_B     V    93_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     C    96_B     C    96_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     A    97_B     A    97_B    102  104  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T    98_B     T    98_B    102  104  126     89  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     D    99_B     D    99_B    102  104  126      3  105  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S   100_B     S   100_B    102  104  126      7   14   24  107  113  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G   101_B     G   101_B    102  104  126      7   29   77  105  111  115  117  117  117  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     D   102_B     D   102_B    102  104  126      3    4   23   45   79  105  111  115  117  118  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  104  126      3    5    6    8   15   22   35   44   52   58   92  119  121  124  124  124  126  126  126  126 
LCS_GDT     K   104_B     K   104_B      5  104  126      3    5    7    8   15   22   35   44   60  105  115  119  121  124  124  124  126  126  126  126 
LCS_GDT     R   105_B     R   105_B      5   10  126      3    5    7    8   15   22   35   49   84  107  116  119  121  124  124  124  126  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      3    5    7    8   12   22   35   77  103  114  117  119  121  124  124  124  126  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      3    5    7   16   42   65   87  106  114  116  118  120  121  124  124  124  126  126  126  126 
LCS_GDT     S   108_B     S   108_B      4   10  126      3    5    6    8    9    9   11   25  114  116  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      3   15  107  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     E   110_B     E   110_B      4   18  126      3    4    5   18   42   72   92  118  118  119  119  119  119  120  121  122  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      4   18  126      3    4    5    7   35   68  105  118  118  119  119  119  119  120  121  122  126  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      3   25  108  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126      3    3   83  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   18  126      5   73  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     82  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     63  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     86  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     92  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     80  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   18  126     64  109  111  113  115  116  117  118  118  119  119  120  121  124  124  124  126  126  126  126 
LCS_AVERAGE  LCS_A:  79.21  (  67.21   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     92    109    111    113    115    116    117    118    118    119    119    120    121    124    124    124    126    126    126    126 
GDT PERCENT_AT  73.02  86.51  88.10  89.68  91.27  92.06  92.86  93.65  93.65  94.44  94.44  95.24  96.03  98.41  98.41  98.41 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.40   0.44   0.52   0.61   0.68   0.79   1.10   1.10   1.17   1.17   1.45   1.72   2.43   2.43   2.43   2.63   2.63   2.63   2.63
GDT RMS_ALL_AT   2.79   2.78   2.78   2.80   2.82   2.81   2.79   2.88   2.88   2.85   2.85   2.69   2.66   2.64   2.64   2.64   2.63   2.63   2.63   2.63

# 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
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     0.903     0    0.135   0.687     5.288   86.071   69.312
LGA    V     2_B      V     2_B     0.348     0    0.093   0.253     0.829   97.619   97.279
LGA    Q     3_B      Q     3_B     0.494     0    0.098   0.492     1.183   97.619   94.762
LGA    L     4_B      L     4_B     0.468     0    0.087   0.410     1.097   95.238   94.107
LGA    Q     5_B      Q     5_B     0.285     0    0.041   0.455     1.800  100.000   91.799
LGA    E     6_B      E     6_B     0.133     0    0.093   0.176     0.685  100.000   98.942
LGA    S     7_B      S     7_B     0.156     0    0.046   0.156     0.405  100.000  100.000
LGA    G     8_B      G     8_B     0.276     0    0.015   0.015     0.384  100.000  100.000
LGA    G     9_B      G     9_B     0.276     0    0.046   0.046     0.611   97.619   97.619
LGA    G    10_B      G    10_B     0.234     0    0.033   0.033     0.358  100.000  100.000
LGA    L    11_B      L    11_B     0.473     0    0.061   0.414     1.250   92.857   90.536
LGA    V    12_B      V    12_B     0.484     0    0.022   1.236     2.479   97.619   87.211
LGA    Q    13_B      Q    13_B     0.515     0    0.011   1.163     2.820   97.619   85.079
LGA    P    14_B      P    14_B     0.345     0    0.032   0.107     0.631   97.619   95.918
LGA    G    15_B      G    15_B     0.591     0    0.187   0.187     0.591   97.619   97.619
LGA    G    16_B      G    16_B     0.441     0    0.061   0.061     0.670   97.619   97.619
LGA    S    17_B      S    17_B     0.211     0    0.027   0.621     1.785  100.000   95.476
LGA    L    18_B      L    18_B     0.270     0    0.013   0.123     0.661  100.000   98.810
LGA    R    19_B      R    19_B     0.308     0    0.045   0.374     0.926   97.619   97.403
LGA    L    20_B      L    20_B     0.166     0    0.028   1.227     2.555  100.000   89.048
LGA    S    21_B      S    21_B     0.289     0    0.051   0.129     0.430  100.000  100.000
LGA    C    22_B      C    22_B     0.352     0    0.047   0.070     0.529  100.000   98.413
LGA    A    23_B      A    23_B     0.321     0    0.027   0.049     0.405  100.000  100.000
LGA    A    24_B      A    24_B     0.440     0    0.101   0.133     0.957   95.238   94.286
LGA    S    25_B      S    25_B     0.444     0    0.048   0.136     0.585  100.000   96.825
LGA    G    26_B      G    26_B     0.151     0    0.065   0.065     0.386  100.000  100.000
LGA    F    27_B      F    27_B     0.252     0    0.043   0.173     0.561  100.000   99.134
LGA    R    28_B      R    28_B     0.289     0    0.031   0.905     3.380   97.619   85.455
LGA    F    29_B      F    29_B     0.372     0    0.035   0.097     0.706  100.000   97.403
LGA    S    30_B      S    30_B     0.417     0    0.052   0.125     0.731  100.000   96.825
LGA    S    31_B      S    31_B     0.310     0    0.107   0.633     1.492  100.000   95.317
LGA    Y    32_B      Y    32_B     0.268     0    0.051   0.240     1.177   97.619   94.484
LGA    W    33_B      W    33_B     0.322     0    0.020   0.084     0.786  100.000   97.959
LGA    M    34_B      M    34_B     0.511     0    0.016   0.840     2.817   95.238   89.881
LGA    Y    35_B      Y    35_B     0.405     0    0.049   0.206     1.487   97.619   90.635
LGA    W    36_B      W    36_B     0.367     0    0.030   0.123     0.516  100.000   99.320
LGA    V    37_B      V    37_B     0.417     0    0.043   0.103     0.522  100.000   98.639
LGA    R    38_B      R    38_B     0.335     0    0.033   0.110     0.690  100.000   98.268
LGA    Q    39_B      Q    39_B     0.342     0    0.076   0.111     0.820  100.000   94.709
LGA    A    40_B      A    40_B     0.302     0    0.032   0.039     0.689   97.619   96.190
LGA    P    41_B      P    41_B     0.862     0    0.069   0.095     0.962   90.476   90.476
LGA    G    42_B      G    42_B     1.165     0    0.039   0.039     1.390   83.690   83.690
LGA    K    43_B      K    43_B     0.922     0    0.079   0.266     2.781   90.476   79.947
LGA    G    44_B      G    44_B     0.801     0    0.045   0.045     0.838   90.476   90.476
LGA    L    45_B      L    45_B     0.704     0    0.038   1.246     3.300   90.476   84.286
LGA    E    46_B      E    46_B     0.289     0    0.061   0.244     1.055   95.238   92.646
LGA    W    47_B      W    47_B     0.536     0    0.036   0.097     0.837   92.857   93.878
LGA    V    48_B      V    48_B     0.547     0    0.015   0.026     0.619   90.476   94.558
LGA    S    49_B      S    49_B     0.677     0    0.022   0.292     1.152   90.476   88.968
LGA    A    50_B      A    50_B     0.536     0    0.031   0.040     0.559   92.857   92.381
LGA    I    51_B      I    51_B     0.573     0    0.042   0.100     0.879   90.476   90.476
LGA    N    52_B      N    52_B     0.323     0    0.041   0.134     0.577   97.619   98.810
LGA    S    53_B      S    53_B     0.646     0    0.053   0.367     1.332   90.595   89.048
LGA    S    54_B      S    54_B     0.842     0    0.111   0.130     1.375   88.214   88.968
LGA    G    55_B      G    55_B     0.366     0    0.761   0.761     2.968   86.905   86.905
LGA    G    56_B      G    56_B     1.352     0    0.063   0.063     1.543   83.810   83.810
LGA    Y    57_B      Y    57_B     0.485     0    0.090   0.274     0.962   92.857   91.270
LGA    T    58_B      T    58_B     0.463     0    0.049   0.112     0.578   97.619   97.279
LGA    R    59_B      R    59_B     0.528     0    0.022   1.179     5.167   95.238   77.316
LGA    Y    60_B      Y    60_B     0.631     0    0.034   0.221     1.022   90.476   90.516
LGA    A    61_B      A    61_B     0.622     0    0.037   0.059     0.707   90.476   92.381
LGA    D    62_B      D    62_B     0.710     0    0.058   0.394     2.319   90.476   85.000
LGA    S    63_B      S    63_B     0.351     0    0.079   0.107     0.866   97.619   98.413
LGA    V    64_B      V    64_B     0.496     0    0.025   0.115     0.648   95.238   94.558
LGA    K    65_B      K    65_B     0.509     0    0.039   0.722     3.424   92.857   82.328
LGA    G    66_B      G    66_B     0.465     0    0.038   0.038     0.492  100.000  100.000
LGA    R    67_B      R    67_B     0.577     0    0.065   0.117     0.906   95.238   92.208
LGA    F    68_B      F    68_B     0.396     0    0.076   0.181     1.080   92.976   97.446
LGA    T    69_B      T    69_B     0.339     0    0.051   0.100     0.542  100.000   98.639
LGA    I    70_B      I    70_B     0.400     0    0.033   0.059     0.476  100.000  100.000
LGA    S    71_B      S    71_B     0.668     0    0.019   0.076     0.749   95.238   93.651
LGA    R    72_B      R    72_B     0.371     0    0.039   0.179     0.697   97.619   94.805
LGA    D    73_B      D    73_B     0.311     0    0.018   0.212     1.263  100.000   96.488
LGA    N    74_B      N    74_B     0.147     0    0.028   0.885     2.262  100.000   93.274
LGA    A    75_B      A    75_B     0.562     0    0.021   0.023     0.763   95.238   94.286
LGA    K    76_B      K    76_B     0.302     0    0.006   0.330     1.420  100.000   96.878
LGA    N    77_B      N    77_B     0.319     0    0.022   0.327     1.157   97.619   95.298
LGA    T    78_B      T    78_B     0.319     0    0.054   0.094     0.570  100.000   98.639
LGA    L    79_B      L    79_B     0.116     0    0.034   0.101     0.232  100.000  100.000
LGA    Y    80_B      Y    80_B     0.096     0    0.095   0.264     1.083   97.619   94.484
LGA    L    81_B      L    81_B     0.260     0    0.017   0.248     0.729  100.000   98.810
LGA    Q    82_B      Q    82_B     0.288     0    0.053   0.114     0.524  100.000   98.942
LGA    M    83_B      M    83_B     0.329     0    0.025   0.740     2.191  100.000   94.405
LGA    N    84_B      N    84_B     0.409     0    0.092   0.377     0.940   95.238   95.238
LGA    S    85_B      S    85_B     0.970     0    0.047   0.120     1.216   88.214   85.952
LGA    L    86_B      L    86_B     0.409     0    0.070   0.098     0.782   95.238   97.619
LGA    R    87_B      R    87_B     0.210     0    0.016   0.170     1.375  100.000   94.026
LGA    A    88_B      A    88_B     0.360     0    0.050   0.049     0.538   97.619   98.095
LGA    E    89_B      E    89_B     0.627     0    0.017   0.433     1.484   92.857   89.524
LGA    D    90_B      D    90_B     0.288     0    0.032   0.099     0.393  100.000  100.000
LGA    T    91_B      T    91_B     0.167     0    0.081   0.075     0.393  100.000  100.000
LGA    A    92_B      A    92_B     0.253     0    0.061   0.091     0.378  100.000  100.000
LGA    V    93_B      V    93_B     0.095     0    0.031   0.244     0.707  100.000   98.639
LGA    Y    94_B      Y    94_B     0.087     0    0.093   0.120     0.635  100.000   99.206
LGA    Y    95_B      Y    95_B     0.460     0    0.072   0.124     0.775   95.238   96.032
LGA    C    96_B      C    96_B     0.391     0    0.048   0.196     0.428  100.000  100.000
LGA    A    97_B      A    97_B     0.588     0    0.013   0.035     0.656   90.476   90.476
LGA    T    98_B      T    98_B     0.867     0    0.035   0.056     1.351   85.952   87.891
LGA    D    99_B      D    99_B     1.856     0    0.515   1.152     5.961   75.000   56.845
LGA    S   100_B      S   100_B     3.401     0    0.061   0.657     7.831   44.167   34.206
LGA    G   101_B      G   101_B     4.622     0    0.626   0.626     8.016   27.619   27.619
LGA    D   102_B      D   102_B     7.861     0    0.103   0.396    12.232    6.071    3.631
LGA    G   103_B      G   103_B    13.362     0    0.696   0.696    13.637    0.000    0.000
LGA    K   104_B      K   104_B    13.537     0    0.234   0.823    14.669    0.000    0.000
LGA    R   105_B      R   105_B    12.875     0    0.420   0.969    14.814    0.000    0.000
LGA    Y   106_B      Y   106_B    11.632     0    0.127   0.141    19.190    1.190    0.397
LGA    W   107_B      W   107_B     9.743     0    0.560   1.131    13.093    0.952    0.340
LGA    S   108_B      S   108_B     7.649     0    0.582   0.501     9.170   12.262    8.889
LGA    G   109_B      G   109_B     2.292     0    0.123   0.123     4.972   47.381   47.381
LGA    E   110_B      E   110_B     6.876     0    0.150   1.069    11.696   14.881    6.772
LGA    Y   111_B      Y   111_B     6.108     0    0.555   0.480    17.180   25.476    9.087
LGA    F   112_B      F   112_B     1.714     0    0.096   0.137     6.884   59.524   43.853
LGA    Y   113_B      Y   113_B     2.405     0    0.496   1.439     6.851   61.429   52.222
LGA    R   114_B      R   114_B     1.665     0    0.064   0.523     6.101   77.143   56.234
LGA    S   115_B      S   115_B     0.444     0    0.130   0.167     0.798   97.619   96.825
LGA    R   116_B      R   116_B     0.529     0    0.077   0.182     2.001   95.238   85.022
LGA    G   117_B      G   117_B     0.397     0    0.026   0.026     0.430  100.000  100.000
LGA    Q   118_B      Q   118_B     0.257     0    0.069   1.372     6.319  100.000   68.413
LGA    G   119_B      G   119_B     0.406     0    0.037   0.037     0.406  100.000  100.000
LGA    T   120_B      T   120_B     0.102     0    0.028   0.082     0.342  100.000  100.000
LGA    L   121_B      L   121_B     0.263     0    0.019   0.240     0.738  100.000   97.619
LGA    V   122_B      V   122_B     0.336     0    0.007   0.077     0.507  100.000   98.639
LGA    T   123_B      T   123_B     0.201     0    0.102   0.484     1.126  100.000   94.694
LGA    V   124_B      V   124_B     0.109     0    0.060   0.067     0.536  100.000   98.639
LGA    S   125_B      S   125_B     0.816     0    0.064   0.086     1.048   90.476   88.968
LGA    S   126_B      S   126_B     0.932     0    0.282   0.905     4.890   65.595   65.397

# 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):     2.629          2.648                  3.429           87.588   84.550

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    118    1.10    92.063    86.963     9.840

LGA_LOCAL      RMSD:   1.099  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.876  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.629  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.548700 * X  +   0.269830 * Y  +   0.791277 * Z  + -30.751490
  Y_new =   0.565209 * X  +  -0.817132 * Y  +  -0.113290 * Z  + -14.316586
  Z_new =   0.616009 * X  +   0.509399 * Y  +  -0.600871 * Z  + -68.052444 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.800218 -0.663666  2.438396   [DEG:   45.8491  -38.0252  139.7098 ]
ZXZ:  1.428589  2.215387  0.879846   [DEG:   81.8521  126.9323   50.4114 ]
 
# END of job
