
#######################################################
#                                                     #
#                        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  123 (  935),  selected  123 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  123 , 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:   123       1_B - 123_B       1.44     1.44
  LCS_AVERAGE:     99.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       1.44     1.44
  LCS_AVERAGE:     99.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      34_B - 95_B        0.99     1.64
  LONGEST_CONTINUOUS_SEGMENT:    62      35_B - 96_B        1.00     1.62
  LCS_AVERAGE:     40.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     Q     1_B     Q     1_B     27  123  123      5   54   95  110  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V     2_B     V     2_B     50  123  123     49   94  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q     3_B     Q     3_B     50  123  123     57   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L     4_B     L     4_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V     5_B     V     5_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E     6_B     E     6_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S     7_B     S     7_B     50  123  123     66   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G     8_B     G     8_B     50  123  123     66   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G     9_B     G     9_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    10_B     G    10_B     50  123  123     64   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    11_B     S    11_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    12_B     V    12_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    13_B     Q    13_B     50  123  123     65   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    14_B     A    14_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    15_B     G    15_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    16_B     G    16_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    17_B     S    17_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    18_B     L    18_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    19_B     R    19_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    20_B     L    20_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    21_B     S    21_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     C    22_B     C    22_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    23_B     A    23_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    24_B     A    24_B     50  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    25_B     S    25_B     50  123  123     63   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    26_B     G    26_B     50  123  123     14   83  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    27_B     S    27_B     50  123  123      3   20   32   92  102  115  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    28_B     T    28_B     50  123  123      3   10   89  110  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    29_B     V    29_B     50  123  123      7   18  105  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    30_B     S    30_B     50  123  123     18   94  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    31_B     A    31_B     50  123  123     64   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    32_B     Y    32_B     50  123  123     53   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    33_B     Y    33_B     50  123  123      7   89  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    34_B     M    34_B     62  123  123     16   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    35_B     A    35_B     62  123  123     16   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W    36_B     W    36_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    37_B     F    37_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    38_B     R    38_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    39_B     Q    39_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    40_B     A    40_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P    41_B     P    41_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    42_B     G    42_B     62  123  123     57   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    43_B     K    43_B     62  123  123     23   94  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    44_B     G    44_B     62  123  123     14   75  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    45_B     R    45_B     62  123  123      9   93  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    46_B     E    46_B     62  123  123     19   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    47_B     G    47_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    48_B     V    48_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    49_B     A    49_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    50_B     V    50_B     62  123  123     40   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    51_B     I    51_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    52_B     G    52_B     62  123  123      3   54   94  110  112  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    53_B     G    53_B     62  123  123      3    6   16   33  101  113  116  119  120  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    54_B     S    54_B     62  123  123      3    3    3   11   60  113  115  119  120  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    55_B     G    55_B     62  123  123     31   92  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    56_B     V    56_B     62  123  123     66   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    57_B     Y    57_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    58_B     A    58_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    59_B     D    59_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    60_B     A    60_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    61_B     V    61_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    62_B     K    62_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    63_B     G    63_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    64_B     R    64_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    65_B     F    65_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    66_B     T    66_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    67_B     I    67_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    68_B     S    68_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    69_B     Q    69_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    70_B     D    70_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    71_B     N    71_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    72_B     A    72_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    73_B     K    73_B     62  123  123     58   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    74_B     N    74_B     62  123  123     66   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    75_B     T    75_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    76_B     L    76_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    77_B     Y    77_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    78_B     L    78_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    79_B     Q    79_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    80_B     M    80_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    81_B     N    81_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    82_B     S    82_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    83_B     L    83_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    84_B     K    84_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P    85_B     P    85_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    86_B     E    86_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    87_B     D    87_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    88_B     T    88_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    89_B     A    89_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    90_B     M    90_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    91_B     Y    91_B     62  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    92_B     Y    92_B     62  123  123     66   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     C    93_B     C    93_B     62  123  123     65   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    94_B     A    94_B     62  123  123     65   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    95_B     A    95_B     62  123  123     10   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    96_B     Y    96_B     62  123  123     10   92  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W    97_B     W    97_B     46  123  123      3   27   54  110  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    98_B     K    98_B     46  123  123      3   50   96  110  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    99_B     G    99_B     46  123  123      3   83  105  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   100_B     Y   100_B     46  123  123      3   16   72  101  113  115  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   101_B     K   101_B      3  123  123      2    3    3   36   53  114  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   102_B     Y   102_B      3  123  123      3    3    5   22   41   82  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     H   103_B     H   103_B      8  123  123      3    5   35   56   87  109  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   104_B     P   104_B     20  123  123      3   10  102  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K   105_B     K   105_B     20  123  123     32   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F   106_B     F   106_B     20  123  123     17   94  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   107_B     D   107_B     20  123  123     55   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   108_B     D   108_B     20  123  123      8   94  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   109_B     S   109_B     20  123  123      6   48  100  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   110_B     A   110_B     20  123  123      6   48  101  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   111_B     Y   111_B     20  123  123     53   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   112_B     E   112_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   113_B     Y   113_B     20  123  123     64   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W   114_B     W   114_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   115_B     G   115_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   116_B     Q   116_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   117_B     G   117_B     20  123  123     31   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   118_B     T   118_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   119_B     Q   119_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   120_B     V   120_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   121_B     T   121_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   122_B     V   122_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   123_B     S   123_B     20  123  123     67   95  106  111  113  116  118  120  121  122  123  123  123  123  123  123  123  123  123  123 
LCS_AVERAGE  LCS_A:  79.53  (  40.20   99.19   99.19 )

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     67     95    106    111    113    116    118    120    121    122    123    123    123    123    123    123    123    123    123    123 
GDT PERCENT_AT  54.03  76.61  85.48  89.52  91.13  93.55  95.16  96.77  97.58  98.39  99.19  99.19  99.19  99.19  99.19  99.19  99.19  99.19  99.19  99.19
GDT RMS_LOCAL    0.31   0.49   0.63   0.76   0.83   0.94   1.06   1.20   1.29   1.35   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44
GDT RMS_ALL_AT   1.47   1.45   1.45   1.45   1.44   1.45   1.45   1.44   1.45   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  D    59_B      D    59_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.997     0    0.177   0.651     8.365   56.071   34.286
LGA    V     2_B      V     2_B     1.390     0    0.034   0.970     2.698   79.286   74.354
LGA    Q     3_B      Q     3_B     0.977     0    0.029   1.183     5.572   88.214   65.820
LGA    L     4_B      L     4_B     0.319     0    0.030   0.060     0.554   95.238   97.619
LGA    V     5_B      V     5_B     0.265     0    0.025   0.112     0.304  100.000  100.000
LGA    E     6_B      E     6_B     0.457     0    0.062   0.225     0.951   95.238   94.709
LGA    S     7_B      S     7_B     0.667     0    0.000   0.109     0.853   90.476   90.476
LGA    G     8_B      G     8_B     0.712     0    0.057   0.057     0.821   90.476   90.476
LGA    G     9_B      G     9_B     0.492     0    0.110   0.110     0.984   95.238   95.238
LGA    G    10_B      G    10_B     0.448     0    0.095   0.095     0.771   97.619   97.619
LGA    S    11_B      S    11_B     0.249     0    0.034   0.600     1.787  100.000   95.476
LGA    V    12_B      V    12_B     0.325     0    0.063   1.177     2.906  100.000   87.483
LGA    Q    13_B      Q    13_B     0.670     0    0.045   0.844     2.200   90.476   83.757
LGA    A    14_B      A    14_B     0.458     0    0.048   0.057     0.589   92.857   92.381
LGA    G    15_B      G    15_B     0.742     0    0.069   0.069     0.742   90.476   90.476
LGA    G    16_B      G    16_B     0.709     0    0.027   0.027     0.796   90.476   90.476
LGA    S    17_B      S    17_B     0.419     0    0.048   0.676     2.766   95.238   89.683
LGA    L    18_B      L    18_B     0.248     0    0.059   0.133     0.423  100.000  100.000
LGA    R    19_B      R    19_B     0.209     0    0.017   1.265     6.262  100.000   75.758
LGA    L    20_B      L    20_B     0.242     0    0.017   0.062     0.293  100.000  100.000
LGA    S    21_B      S    21_B     0.334     0    0.046   0.673     1.627  100.000   93.889
LGA    C    22_B      C    22_B     0.170     0    0.054   0.093     0.575  100.000   98.413
LGA    A    23_B      A    23_B     0.238     0    0.030   0.057     0.351  100.000  100.000
LGA    A    24_B      A    24_B     0.426     0    0.067   0.089     0.678   95.238   96.190
LGA    S    25_B      S    25_B     0.660     0    0.067   0.601     3.495   90.595   82.302
LGA    G    26_B      G    26_B     1.523     0    0.573   0.573     4.781   62.976   62.976
LGA    S    27_B      S    27_B     3.515     0    0.636   0.814     6.278   49.167   38.492
LGA    T    28_B      T    28_B     2.463     0    0.587   1.370     6.493   75.119   55.986
LGA    V    29_B      V    29_B     1.812     0    0.078   1.231     3.705   72.976   66.463
LGA    S    30_B      S    30_B     1.245     0    0.057   0.174     1.493   83.690   82.937
LGA    A    31_B      A    31_B     0.510     0    0.129   0.119     0.923   95.238   94.286
LGA    Y    32_B      Y    32_B     0.707     0    0.024   0.325     1.286   85.952   84.444
LGA    Y    33_B      Y    33_B     1.404     0    0.184   0.653     2.006   79.286   77.302
LGA    M    34_B      M    34_B     1.088     0    0.065   0.667     1.953   79.286   79.286
LGA    A    35_B      A    35_B     0.916     0    0.067   0.065     0.934   90.476   90.476
LGA    W    36_B      W    36_B     0.607     0    0.055   0.118     0.806   92.857   91.156
LGA    F    37_B      F    37_B     0.449     0    0.039   0.085     0.637  100.000   95.671
LGA    R    38_B      R    38_B     0.383     0    0.019   0.204     0.692   97.619   95.671
LGA    Q    39_B      Q    39_B     0.677     0    0.080   0.832     1.853   92.857   86.614
LGA    A    40_B      A    40_B     0.658     0    0.018   0.015     0.814   90.476   90.476
LGA    P    41_B      P    41_B     0.489     0    0.034   0.051     0.549   95.238   97.279
LGA    G    42_B      G    42_B     0.913     0    0.094   0.094     1.010   88.214   88.214
LGA    K    43_B      K    43_B     1.213     0    0.027   0.636     3.385   81.429   76.032
LGA    G    44_B      G    44_B     1.393     0    0.087   0.087     1.393   81.429   81.429
LGA    R    45_B      R    45_B     1.217     0    0.011   0.380     3.796   81.429   71.991
LGA    E    46_B      E    46_B     0.887     0    0.060   0.686     3.295   95.238   83.122
LGA    G    47_B      G    47_B     0.708     0    0.174   0.174     1.682   88.452   88.452
LGA    V    48_B      V    48_B     0.529     0    0.044   0.098     0.733   90.476   94.558
LGA    A    49_B      A    49_B     0.467     0    0.030   0.045     0.534   97.619   96.190
LGA    V    50_B      V    50_B     0.786     0    0.014   1.201     3.458   92.857   83.537
LGA    I    51_B      I    51_B     0.163     0    0.041   0.077     2.845   84.167   78.810
LGA    G    52_B      G    52_B     3.146     0    0.276   0.276     4.648   47.381   47.381
LGA    G    53_B      G    53_B     4.852     0    0.616   0.616     4.902   32.857   32.857
LGA    S    54_B      S    54_B     5.420     0    0.597   0.575     7.947   24.286   19.048
LGA    G    55_B      G    55_B     1.501     0    0.122   0.122     2.315   75.119   75.119
LGA    V    56_B      V    56_B     1.074     0    0.029   0.114     1.856   85.952   82.789
LGA    Y    57_B      Y    57_B     0.579     0    0.131   0.190     1.693   86.071   92.183
LGA    A    58_B      A    58_B     0.315     0    0.026   0.031     0.437  100.000  100.000
LGA    D    59_B      D    59_B     0.388     0    0.064   0.525     3.247  100.000   85.714
LGA    A    60_B      A    60_B     0.228     0    0.037   0.037     0.346  100.000  100.000
LGA    V    61_B      V    61_B     0.390     0    0.030   0.058     0.666   97.619   97.279
LGA    K    62_B      K    62_B     0.668     0    0.058   0.782     1.825   92.857   88.571
LGA    G    63_B      G    63_B     0.557     0    0.063   0.063     0.738   90.476   90.476
LGA    R    64_B      R    64_B     0.509     0    0.053   0.167     0.920   97.619   93.074
LGA    F    65_B      F    65_B     0.288     0    0.038   0.106     0.471  100.000  100.000
LGA    T    66_B      T    66_B     0.313     0    0.005   0.053     0.713  100.000   95.918
LGA    I    67_B      I    67_B     0.230     0    0.046   0.106     0.565  100.000   97.619
LGA    S    68_B      S    68_B     0.281     0    0.043   0.143     0.811   97.619   95.238
LGA    Q    69_B      Q    69_B     0.209     0    0.139   0.518     1.850   97.619   89.735
LGA    D    70_B      D    70_B     0.437     0    0.055   0.153     0.994  100.000   95.238
LGA    N    71_B      N    71_B     0.576     0    0.021   0.913     2.080   90.476   86.250
LGA    A    72_B      A    72_B     0.477     0    0.138   0.152     1.164   90.595   92.476
LGA    K    73_B      K    73_B     0.759     0    0.030   0.767     2.554   90.476   86.772
LGA    N    74_B      N    74_B     0.584     0    0.042   1.113     3.243   95.238   83.452
LGA    T    75_B      T    75_B     0.118     0    0.030   0.047     0.351  100.000  100.000
LGA    L    76_B      L    76_B     0.259     0    0.049   0.696     2.489  100.000   90.952
LGA    Y    77_B      Y    77_B     0.262     0    0.012   0.132     1.238  100.000   94.484
LGA    L    78_B      L    78_B     0.249     0    0.009   0.046     0.273  100.000  100.000
LGA    Q    79_B      Q    79_B     0.190     0    0.026   0.945     3.938  100.000   86.772
LGA    M    80_B      M    80_B     0.317     0    0.109   0.144     0.655   97.619   98.810
LGA    N    81_B      N    81_B     0.290     0    0.026   0.488     2.296   97.619   92.024
LGA    S    82_B      S    82_B     0.490     0    0.019   0.049     0.610   95.238   96.825
LGA    L    83_B      L    83_B     0.397     0    0.035   0.104     0.508  100.000   98.810
LGA    K    84_B      K    84_B     0.344     0    0.030   0.557     1.328  100.000   92.698
LGA    P    85_B      P    85_B     0.496     0    0.077   0.087     0.953   95.238   97.279
LGA    E    86_B      E    86_B     0.438     0    0.058   0.195     1.807  100.000   90.741
LGA    D    87_B      D    87_B     0.408     0    0.011   0.058     0.424  100.000  100.000
LGA    T    88_B      T    88_B     0.122     0    0.120   0.204     0.849   97.619   98.639
LGA    A    89_B      A    89_B     0.313     0    0.023   0.024     0.334  100.000  100.000
LGA    M    90_B      M    90_B     0.386     0    0.040   0.863     4.048   97.619   84.167
LGA    Y    91_B      Y    91_B     0.189     0    0.030   0.085     0.276  100.000  100.000
LGA    Y    92_B      Y    92_B     0.647     0    0.056   0.188     1.607   90.476   85.992
LGA    C    93_B      C    93_B     0.732     0    0.026   0.066     1.182   92.857   90.556
LGA    A    94_B      A    94_B     0.575     0    0.032   0.038     0.876   90.476   90.476
LGA    A    95_B      A    95_B     1.126     0    0.021   0.030     1.185   83.690   83.238
LGA    Y    96_B      Y    96_B     1.206     0    0.193   0.755     9.209   81.429   48.175
LGA    W    97_B      W    97_B     2.739     0    0.355   1.220    12.429   69.405   23.231
LGA    K    98_B      K    98_B     2.918     0    0.088   0.801    14.118   61.667   31.481
LGA    G    99_B      G    99_B     1.640     0    0.562   0.562     3.871   65.595   65.595
LGA    Y   100_B      Y   100_B     3.795     0    0.628   1.187    12.178   53.810   22.183
LGA    K   101_B      K   101_B     4.065     0    0.577   0.885     8.819   37.619   23.757
LGA    Y   102_B      Y   102_B     5.651     0    0.629   1.406    14.908   20.357    7.341
LGA    H   103_B      H   103_B     4.634     0    0.638   0.763     9.125   38.810   21.619
LGA    P   104_B      P   104_B     2.354     0    0.425   0.352     4.903   65.238   53.401
LGA    K   105_B      K   105_B     0.716     0    0.374   0.829     6.004   88.214   62.275
LGA    F   106_B      F   106_B     0.978     0    0.087   0.540     3.882   92.857   70.390
LGA    D   107_B      D   107_B     0.625     0    0.143   0.133     1.926   92.857   86.131
LGA    D   108_B      D   108_B     1.111     0    0.130   0.370     1.899   81.429   81.488
LGA    S   109_B      S   109_B     2.265     0    0.017   0.052     2.809   64.881   62.302
LGA    A   110_B      A   110_B     2.110     0    0.050   0.045     2.291   68.810   68.000
LGA    Y   111_B      Y   111_B     0.691     0    0.180   0.224     1.293   88.214   91.389
LGA    E   112_B      E   112_B     0.470     0    0.044   0.494     2.023   97.619   89.788
LGA    Y   113_B      Y   113_B     0.445     0    0.056   0.252     0.964  100.000   94.444
LGA    W   114_B      W   114_B     0.252     0    0.040   0.087     0.645  100.000   97.279
LGA    G   115_B      G   115_B     0.290     0    0.103   0.103     1.083   95.357   95.357
LGA    Q   116_B      Q   116_B     0.500     0    0.035   1.070     4.991   95.238   72.593
LGA    G   117_B      G   117_B     0.705     0    0.145   0.145     0.720   95.238   95.238
LGA    T   118_B      T   118_B     0.280     0    0.043   1.269     2.587  100.000   87.483
LGA    Q   119_B      Q   119_B     0.282     0    0.042   0.137     0.557  100.000   98.942
LGA    V   120_B      V   120_B     0.179     0    0.013   0.028     0.423  100.000  100.000
LGA    T   121_B      T   121_B     0.122     0    0.013   0.086     0.192  100.000  100.000
LGA    V   122_B      V   122_B     0.081     0    0.106   0.167     0.650   97.619   98.639
LGA    S   123_B      S   123_B     0.260     0    0.180   0.256     0.533   97.619   98.413

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     935    935  100.00               124
SUMMARY(RMSD_GDC):     1.442          1.456                  2.619           87.406   82.220

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  124    4.0    120    1.20    90.524    94.362     9.266

LGA_LOCAL      RMSD:   1.195  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.443  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   1.442  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.117922 * X  +   0.014122 * Y  +  -0.992922 * Z  + -77.777100
  Y_new =   0.618690 * X  +  -0.783158 * Y  +   0.062339 * Z  +  -3.914538
  Z_new =  -0.776735 * X  +  -0.621662 * Y  +  -0.101089 * Z  +   3.646371 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.382456  0.889465 -1.731995   [DEG:   79.2089   50.9626  -99.2360 ]
ZXZ: -1.633497  1.672058 -2.245752   [DEG:  -93.5925   95.8019 -128.6721 ]
 
# END of job
