
#######################################################
#                                                     #
#                        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 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_A - 124_A       3.12     3.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       1_A - 80_A        1.91     3.27
  LCS_AVERAGE:     49.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       1_A - 77_A        0.92     3.22
  LCS_AVERAGE:     44.23

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     M     1_F     M     1_A     77   80  124      7   39   86   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F     2_F     F     2_A     77   80  124     32   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T     3_F     T     3_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G     4_F     G     4_A     77   80  124     25   69   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     W     5_F     W     5_A     77   80  124     42   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S     6_F     S     6_A     77   80  124     42   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P     7_F     P     7_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F     8_F     F     8_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K     9_F     K     9_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Y    10_F     Y    10_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    11_F     S    11_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    12_F     K    12_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    13_F     G    13_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    14_F     N    14_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    15_F     T    15_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    16_F     V    16_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    17_F     T    17_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    18_F     F    18_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    19_F     K    19_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    20_F     T    20_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    21_F     P    21_A     77   80  124     53   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    22_F     D    22_A     77   80  124     10   67   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E    23_F     E    23_A     77   80  124     10   73   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    24_F     S    24_A     77   80  124     10   64   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    25_F     S    25_A     77   80  124     48   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I    26_F     I    26_A     77   80  124     53   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    27_F     A    27_A     77   80  124     48   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Y    28_F     Y    28_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     M    29_F     M    29_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    30_F     R    30_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    31_F     F    31_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    32_F     R    32_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    33_F     N    33_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     C    34_F     C    34_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    35_F     V    35_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    36_F     F    36_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    37_F     T    37_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    38_F     F    38_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    39_F     T    39_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    40_F     D    40_A     77   80  124     52   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    41_F     P    41_A     77   80  124     51   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    42_F     K    42_A     77   80  124     36   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    43_F     G    43_A     77   80  124     42   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    44_F     S    44_A     77   80  124     42   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    45_F     L    45_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H    46_F     H    46_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    47_F     S    47_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I    48_F     I    48_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    49_F     D    49_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    50_F     V    50_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    51_F     T    51_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E    52_F     E    52_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    53_F     V    53_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    54_F     L    54_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    55_F     N    55_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    56_F     N    56_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     M    57_F     M    57_A     77   80  124     53   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    58_F     A    58_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    59_F     K    59_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    60_F     G    60_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    61_F     F    61_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    62_F     R    62_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    63_F     D    63_A     77   80  124     40   79   90   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    64_F     A    64_A     77   80  124      6   70   88   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Q    65_F     Q    65_A     77   80  124      5   10   80   95  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    66_F     N    66_A     77   80  124      4   79   89   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    67_F     P    67_A     77   80  124     48   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    68_F     P    68_A     77   80  124     53   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    69_F     S    69_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    70_F     S    70_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    71_F     F    71_A     77   80  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    72_F     T    72_A     77   80  124     41   78   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    73_F     L    73_A     77   80  124     41   78   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    74_F     G    74_A     77   80  124      8   67   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    75_F     G    75_A     77   80  124      3   11   36   80   98  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H    76_F     H    76_A     77   80  124      3   37   76   93  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     C    77_F     C    77_A     77   80  124     30   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Q    78_F     Q    78_A      4   80  124      3    4    5    7   14   15   22   29   40   48  109  111  116  118  119  121  123  123  124  124 
LCS_GDT     A    79_F     A    79_A      4   80  124      3    4    6    8   11   18   22   27   34   45   56  104  112  118  118  120  123  123  124  124 
LCS_GDT     P    80_F     P    80_A      3   80  124      3    4    5    7    9    9   11   16   20   24   29   44   68  100  117  118  120  122  124  124 
LCS_GDT     L    81_F     L    81_A      5    6  124      3    4    5    7    7    7   10   14   28   50   82  110  112  115  118  120  123  123  124  124 
LCS_GDT     N    82_F     N    82_A      5   28  124      3    4   18   54   85   98  104  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    83_F     A    83_A      5   29  124      3   37   63   77   94  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    84_F     F    84_A      6   29  124      3    5    6    8   11   16   72   78  103  109  112  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    85_F     S    85_A     15   29  124      3   12   17   24   32   36   50   79   84  109  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    86_F     F    86_A     15   29  124      9   12   17   24   26   30   36   58   65   71   90  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    87_F     V    87_A     15   29  124      9   12   18   24   26   30   38   58   74   91  110  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    88_F     L    88_A     15   29  124      9   12   18   24   26   30   36   43   59   72   85  100  114  118  120  121  123  123  124  124 
LCS_GDT     P    89_F     P    89_A     15   29  124      9   12   18   24   26   30   36   44   61   76   85  100  112  117  120  121  123  123  124  124 
LCS_GDT     G    90_F     G    90_A     15   29  124      9   12   15   24   26   30   36   44   61   73   83   98  111  117  120  121  123  123  124  124 
LCS_GDT     V    91_F     V    91_A     15   29  124      9   12   15   23   26   30   36   45   62   76   90  113  116  118  120  121  123  123  124  124 
LCS_GDT     N    92_F     N    92_A     17   30  124      9   13   18   24   40   67   91  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    93_F     D    93_A     17   30  124      9   13   18   30   58   79   95  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    94_F     R    94_A     17   30  124      9   13   27   62   85  100  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    95_F     A    95_A     17   30  124      9   13   20   42   68   87  100  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    96_F     T    96_A     17   30  124      5   13   18   24   43   68   90  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    97_F     V    97_A     22   30  124      5   13   50   80   97  103  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    98_F     A    98_A     24   30  124      6   73   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    99_F     T    99_A     24   30  124      6   75   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A   100_F     A   100_A     24   30  124     10   75   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D   101_F     D   101_A     24   30  124      6   32   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E   102_F     E   102_A     24   30  124      6   32   89   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A   103_F     A   103_A     24   30  124      6   58   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K   104_F     K   104_A     24   30  124      9   75   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K   105_F     K   105_A     24   30  124      6   67   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     W   106_F     W   106_A     24   30  124      6   58   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E   107_F     E   107_A     24   30  124      5   52   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N   108_F     N   108_A     24   30  124     44   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     C   109_F     C   109_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D   110_F     D   110_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A   111_F     A   111_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T   112_F     T   112_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L   113_F     L   113_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T   114_F     T   114_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G   115_F     G   115_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L   116_F     L   116_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Q   117_F     Q   117_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R   118_F     R   118_A     24   30  124     53   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I   119_F     I   119_A     24   30  124     57   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I   120_F     I   120_A     24   30  124     56   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H   121_F     H   121_A     24   30  124     28   79   91   98  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H   122_F     H   122_A     18   30  124      4   39   79   97  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H   123_F     H   123_A     17   30  124      0   18   78   94  102  104  107  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H   124_F     H   124_A     17   30  124      0    3    3   32   91  104  107  108  109  112  113  115  116  118  120  121  123  123  124  124 
LCS_AVERAGE  LCS_A:  64.74  (  44.23   49.98  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     57     79     91     98    102    104    107    108    110    112    113    115    116    118    120    121    123    123    124    124 
GDT PERCENT_AT  45.97  63.71  73.39  79.03  82.26  83.87  86.29  87.10  88.71  90.32  91.13  92.74  93.55  95.16  96.77  97.58  99.19  99.19 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.72   0.85   0.98   1.09   1.25   1.31   1.58   1.66   1.78   1.98   2.09   2.37   2.66   2.75   2.98   2.98   3.12   3.12
GDT RMS_ALL_AT   3.22   3.25   3.23   3.22   3.22   3.22   3.19   3.19   3.16   3.16   3.15   3.14   3.14   3.14   3.14   3.13   3.12   3.12   3.12   3.12

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   102_F      E   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     2.191     0    0.072   1.055     4.021   66.905   62.381
LGA    F     2_F      F     2_A     1.274     0    0.119   0.454     3.699   83.810   72.251
LGA    T     3_F      T     3_A     0.198     0    0.170   1.114     2.951   92.976   84.830
LGA    G     4_F      G     4_A     1.576     0    0.092   0.092     1.576   81.548   81.548
LGA    W     5_F      W     5_A     0.935     0    0.059   0.145     1.128   85.952   89.184
LGA    S     6_F      S     6_A     0.901     0    0.034   0.758     1.539   90.476   86.032
LGA    P     7_F      P     7_A     0.560     0    0.027   0.225     1.288   95.238   91.905
LGA    F     8_F      F     8_A     0.380     0    0.048   0.077     0.410  100.000  100.000
LGA    K     9_F      K     9_A     0.447     0    0.049   0.429     2.317   97.619   92.910
LGA    Y    10_F      Y    10_A     0.332     0    0.055   0.072     0.444  100.000  100.000
LGA    S    11_F      S    11_A     0.391     0    0.057   0.592     1.962  100.000   95.476
LGA    K    12_F      K    12_A     0.202     0    0.029   0.112     1.037  100.000   94.762
LGA    G    13_F      G    13_A     0.433     0    0.012   0.012     0.566   97.619   97.619
LGA    N    14_F      N    14_A     0.350     0    0.031   1.073     2.276  100.000   91.190
LGA    T    15_F      T    15_A     0.308     0    0.040   0.224     0.720  100.000   98.639
LGA    V    16_F      V    16_A     0.404     0    0.023   0.055     0.470  100.000  100.000
LGA    T    17_F      T    17_A     0.569     0    0.041   0.063     0.706   90.476   90.476
LGA    F    18_F      F    18_A     0.539     0    0.017   0.140     0.710   90.476   94.805
LGA    K    19_F      K    19_A     0.584     0    0.021   0.902     1.924   95.238   86.667
LGA    T    20_F      T    20_A     0.200     0    0.153   0.223     1.230   95.357   94.626
LGA    P    21_F      P    21_A     0.335     0    0.062   0.201     1.295   92.976   90.680
LGA    D    22_F      D    22_A     1.440     0    0.020   0.052     2.097   81.548   77.262
LGA    E    23_F      E    23_A     1.222     0    0.083   0.410     2.140   81.429   76.720
LGA    S    24_F      S    24_A     1.428     0    0.086   0.142     1.686   81.429   78.571
LGA    S    25_F      S    25_A     0.865     0    0.025   0.128     1.042   90.476   88.968
LGA    I    26_F      I    26_A     0.641     0    0.059   0.182     0.875   90.476   90.476
LGA    A    27_F      A    27_A     0.861     0    0.016   0.027     0.927   90.476   90.476
LGA    Y    28_F      Y    28_A     0.300     0    0.026   0.494     1.630  100.000   92.262
LGA    M    29_F      M    29_A     0.212     0    0.021   0.740     2.786  100.000   94.643
LGA    R    30_F      R    30_A     0.570     0    0.094   0.115     1.055   92.857   89.697
LGA    F    31_F      F    31_A     0.474     0    0.045   0.108     0.513   97.619   99.134
LGA    R    32_F      R    32_A     0.457     0    0.011   0.441     1.168  100.000   96.580
LGA    N    33_F      N    33_A     0.415     0    0.025   0.206     0.936  100.000   96.429
LGA    C    34_F      C    34_A     0.237     0    0.079   0.099     0.541   97.619   98.413
LGA    V    35_F      V    35_A     0.132     0    0.045   0.046     0.219  100.000  100.000
LGA    F    36_F      F    36_A     0.145     0    0.051   0.240     0.737  100.000   96.537
LGA    T    37_F      T    37_A     0.209     0    0.026   0.101     0.339  100.000  100.000
LGA    F    38_F      F    38_A     0.230     0    0.050   0.146     0.686  100.000   98.268
LGA    T    39_F      T    39_A     0.531     0    0.145   1.020     2.967   90.595   82.109
LGA    D    40_F      D    40_A     0.588     0    0.039   0.090     0.634   90.476   90.476
LGA    P    41_F      P    41_A     0.565     0    0.052   0.165     0.895   90.476   90.476
LGA    K    42_F      K    42_A     0.843     0    0.032   0.343     2.932   88.214   78.942
LGA    G    43_F      G    43_A     0.935     0    0.031   0.031     1.153   88.214   88.214
LGA    S    44_F      S    44_A     0.910     0    0.074   0.172     1.434   90.476   87.460
LGA    L    45_F      L    45_A     0.317     0    0.079   0.430     1.586   97.619   91.905
LGA    H    46_F      H    46_A     0.277     0    0.014   0.110     0.686  100.000   98.095
LGA    S    47_F      S    47_A     0.387     0    0.093   0.658     1.823  100.000   93.889
LGA    I    48_F      I    48_A     0.273     0    0.032   1.243     3.227  100.000   83.810
LGA    D    49_F      D    49_A     0.096     0    0.028   0.293     1.223  100.000   97.679
LGA    V    50_F      V    50_A     0.133     0    0.035   0.065     0.202  100.000  100.000
LGA    T    51_F      T    51_A     0.227     0    0.012   0.036     0.471  100.000  100.000
LGA    E    52_F      E    52_A     0.528     0    0.081   1.063     5.410   95.238   72.328
LGA    V    53_F      V    53_A     0.232     0    0.083   0.092     0.574   97.619   98.639
LGA    L    54_F      L    54_A     0.149     0    0.017   0.097     0.373  100.000  100.000
LGA    N    55_F      N    55_A     0.340     0    0.020   0.202     0.824   97.619   97.619
LGA    N    56_F      N    56_A     0.502     0    0.055   0.101     0.937   95.238   92.857
LGA    M    57_F      M    57_A     0.500     0    0.044   0.836     2.297  100.000   90.893
LGA    A    58_F      A    58_A     0.478     0    0.053   0.064     0.599   97.619   96.190
LGA    K    59_F      K    59_A     0.324     0    0.038   0.186     0.566  100.000   97.884
LGA    G    60_F      G    60_A     0.292     0    0.086   0.086     0.300  100.000  100.000
LGA    F    61_F      F    61_A     0.596     0    0.015   0.095     1.272   90.476   87.186
LGA    R    62_F      R    62_A     0.480     0    0.145   0.831     3.417   92.976   77.662
LGA    D    63_F      D    63_A     1.094     0    0.070   0.146     2.103   77.381   83.929
LGA    A    64_F      A    64_A     1.668     0    0.034   0.040     1.873   75.000   74.571
LGA    Q    65_F      Q    65_A     2.536     0    0.064   0.622     4.217   62.857   52.804
LGA    N    66_F      N    66_A     1.486     0    0.100   0.816     3.542   79.286   72.381
LGA    P    67_F      P    67_A     0.812     0    0.125   0.333     1.716   88.214   86.667
LGA    P    68_F      P    68_A     0.640     0    0.073   0.097     0.882   90.476   90.476
LGA    S    69_F      S    69_A     0.321     0    0.069   0.137     0.610  100.000   98.413
LGA    S    70_F      S    70_A     0.481     0    0.057   0.137     0.770  100.000   96.825
LGA    F    71_F      F    71_A     0.508     0    0.093   0.425     1.429   95.238   92.294
LGA    T    72_F      T    72_A     0.776     0    0.042   0.063     0.918   90.476   90.476
LGA    L    73_F      L    73_A     0.688     0    0.172   0.223     1.128   88.214   90.536
LGA    G    74_F      G    74_A     1.606     0    0.586   0.586     5.422   57.619   57.619
LGA    G    75_F      G    75_A     3.447     0    0.209   0.209     3.447   69.524   69.524
LGA    H    76_F      H    76_A     2.648     0    0.571   1.094    10.310   65.595   33.476
LGA    C    77_F      C    77_A     1.613     0    0.577   0.808     3.564   65.833   61.905
LGA    Q    78_F      Q    78_A     7.587     0    0.389   1.218    10.762    9.643    5.450
LGA    A    79_F      A    79_A     8.654     0    0.209   0.239    12.062    2.500    2.571
LGA    P    80_F      P    80_A    10.622     0    0.313   0.504    12.314    0.476    0.272
LGA    L    81_F      L    81_A     9.335     0    0.200   1.045    13.976    7.262    3.631
LGA    N    82_F      N    82_A     4.302     0    0.100   0.172     6.315   33.929   43.571
LGA    A    83_F      A    83_A     3.527     0    0.117   0.110     7.333   38.095   40.476
LGA    F    84_F      F    84_A     6.393     0    0.602   1.288    12.530   21.786    9.567
LGA    S    85_F      S    85_A     6.926     0    0.259   0.635     8.115    9.643    9.841
LGA    F    86_F      F    86_A     7.968     0    0.073   1.315     8.682    9.405   16.147
LGA    V    87_F      V    87_A     7.876     0    0.017   0.041     9.980    3.810    4.966
LGA    L    88_F      L    88_A     9.593     0    0.017   1.372    13.198    1.310    0.833
LGA    P    89_F      P    89_A    10.647     0    0.010   0.026    12.024    0.000    0.000
LGA    G    90_F      G    90_A    10.508     0    0.050   0.050    10.631    0.000    0.000
LGA    V    91_F      V    91_A     8.980     0    0.015   0.037    10.964    5.357    3.333
LGA    N    92_F      N    92_A     5.735     0    0.059   0.067     6.950   21.905   21.845
LGA    D    93_F      D    93_A     5.919     0    0.043   0.130     8.011   24.048   17.202
LGA    R    94_F      R    94_A     4.322     0    0.066   0.613     5.736   35.952   32.251
LGA    A    95_F      A    95_A     5.456     0    0.041   0.039     6.355   23.810   22.476
LGA    T    96_F      T    96_A     5.801     0    0.072   0.305     7.577   23.810   18.980
LGA    V    97_F      V    97_A     3.403     0    0.039   0.060     4.586   54.167   50.748
LGA    A    98_F      A    98_A     1.701     0    0.046   0.067     2.325   75.119   73.048
LGA    T    99_F      T    99_A     1.527     0    0.053   0.070     1.814   77.143   75.306
LGA    A   100_F      A   100_A     1.381     0    0.043   0.041     1.511   79.286   79.714
LGA    D   101_F      D   101_A     1.801     0    0.041   0.612     2.814   72.857   71.964
LGA    E   102_F      E   102_A     2.175     0    0.052   1.298     5.516   66.786   56.614
LGA    A   103_F      A   103_A     1.739     0    0.083   0.131     1.793   72.857   74.571
LGA    K   104_F      K   104_A     1.314     0    0.039   1.181     5.366   81.429   65.820
LGA    K   105_F      K   105_A     1.614     0    0.075   0.237     2.180   72.857   72.910
LGA    W   106_F      W   106_A     1.755     0    0.089   0.109     1.788   72.857   75.306
LGA    E   107_F      E   107_A     1.699     0    0.029   0.740     5.012   79.405   58.466
LGA    N   108_F      N   108_A     0.755     0    0.151   0.257     1.752   92.976   87.262
LGA    C   109_F      C   109_A     0.310     0    0.011   0.057     0.738   97.619   95.238
LGA    D   110_F      D   110_A     0.636     0    0.088   0.648     3.125   90.595   78.095
LGA    A   111_F      A   111_A     0.523     0    0.039   0.082     0.810   97.619   96.190
LGA    T   112_F      T   112_A     0.298     0    0.059   0.106     0.377  100.000  100.000
LGA    L   113_F      L   113_A     0.292     0    0.039   0.129     0.670  100.000   98.810
LGA    T   114_F      T   114_A     0.390     0    0.050   0.115     0.710  100.000   97.279
LGA    G   115_F      G   115_A     0.378     0    0.022   0.022     0.476  100.000  100.000
LGA    L   116_F      L   116_A     0.482     0    0.030   0.066     0.575  100.000   96.429
LGA    Q   117_F      Q   117_A     0.640     0    0.023   0.834     2.282   92.857   86.720
LGA    R   118_F      R   118_A     0.724     0    0.077   0.721     3.230   92.857   82.164
LGA    I   119_F      I   119_A     0.536     0    0.024   0.180     1.137   90.476   91.726
LGA    I   120_F      I   120_A     0.755     0    0.160   1.273     4.088   90.595   82.857
LGA    H   121_F      H   121_A     1.114     0    0.032   0.461     1.808   85.952   82.429
LGA    H   122_F      H   122_A     2.133     0    0.156   1.469     6.841   66.786   48.952
LGA    H   123_F      H   123_A     2.603     0    0.273   1.132     3.030   59.048   66.857
LGA    H   124_F      H   124_A     3.554     0    0.592   0.931     5.630   46.667   37.714

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):     3.120          3.130                  3.391           77.828   74.542

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0    108    1.31    81.855    75.526     7.648

LGA_LOCAL      RMSD:   1.312  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.188  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   3.120  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.261961 * X  +  -0.003203 * Y  +  -0.965073 * Z  + -60.746002
  Y_new =   0.735073 * X  +   0.648621 * Y  +   0.197377 * Z  +  13.103606
  Z_new =   0.625335 * X  +  -0.761105 * Y  +   0.172268 * Z  +   0.679467 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.228455 -0.675560 -1.348207   [DEG:   70.3853  -38.7068  -77.2466 ]
ZXZ: -1.772534  1.397665  2.453810   [DEG: -101.5587   80.0803  140.5930 ]
 
# END of job
