
#######################################################
#                                                     #
#                        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       3.13     3.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       1_A - 80_A        1.93     3.28
  LCS_AVERAGE:     49.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       1_A - 77_A        0.92     3.23
  LCS_AVERAGE:     44.24

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   20   90   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F     2_F     F     2_A     77   80  124     31   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T     3_F     T     3_A     77   80  124     54   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G     4_F     G     4_A     77   80  124     29   74   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     W     5_F     W     5_A     77   80  124     47   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S     6_F     S     6_A     77   80  124     41   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P     7_F     P     7_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F     8_F     F     8_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K     9_F     K     9_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Y    10_F     Y    10_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    11_F     S    11_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    12_F     K    12_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    13_F     G    13_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    14_F     N    14_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    15_F     T    15_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    16_F     V    16_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    17_F     T    17_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    18_F     F    18_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    19_F     K    19_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    20_F     T    20_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    21_F     P    21_A     77   80  124     51   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    22_F     D    22_A     77   80  124     16   70   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E    23_F     E    23_A     77   80  124     16   72   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    24_F     S    24_A     77   80  124      9   66   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    25_F     S    25_A     77   80  124     46   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I    26_F     I    26_A     77   80  124     49   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    27_F     A    27_A     77   80  124     46   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Y    28_F     Y    28_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     M    29_F     M    29_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    30_F     R    30_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    31_F     F    31_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    32_F     R    32_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    33_F     N    33_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     C    34_F     C    34_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    35_F     V    35_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    36_F     F    36_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    37_F     T    37_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    38_F     F    38_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    39_F     T    39_A     77   80  124     55   78   92   98  101  104  106  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   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    41_F     P    41_A     77   80  124     52   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    42_F     K    42_A     77   80  124     39   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    43_F     G    43_A     77   80  124     39   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    44_F     S    44_A     77   80  124     39   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    45_F     L    45_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H    46_F     H    46_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    47_F     S    47_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I    48_F     I    48_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    49_F     D    49_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    50_F     V    50_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    51_F     T    51_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E    52_F     E    52_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    53_F     V    53_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    54_F     L    54_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    55_F     N    55_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N    56_F     N    56_A     77   80  124     55   78   92   98  101  104  106  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   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    58_F     A    58_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K    59_F     K    59_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    60_F     G    60_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    61_F     F    61_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    62_F     R    62_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    63_F     D    63_A     77   80  124     39   78   90   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    64_F     A    64_A     77   80  124      7   73   89   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Q    65_F     Q    65_A     77   80  124      7   42   77   94  101  104  106  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   77   89   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    67_F     P    67_A     77   80  124     46   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     P    68_F     P    68_A     77   80  124     48   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    69_F     S    69_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    70_F     S    70_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    71_F     F    71_A     77   80  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T    72_F     T    72_A     77   80  124     49   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    73_F     L    73_A     77   80  124     36   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G    74_F     G    74_A     77   80  124      6   66   92   98  101  104  106  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    4   35   73   96  104  106  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   36   75   92  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     C    77_F     C    77_A     77   80  124     22   76   90   98  101  104  106  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    9   22   30   35   42   51   96  110  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   20   28   33   51   60  108  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   27   45   68  100  114  117  120  120  124  124 
LCS_GDT     L    81_F     L    81_A      5    6  124      3    4    5    6    7    7   10   16   26   49   82  109  111  115  117  120  123  123  124  124 
LCS_GDT     N    82_F     N    82_A      5   19  124      3    4   22   59   87  101  105  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   22   56   79   95  103  106  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   13   16   74   80  103  108  112  115  116  118  120  121  123  123  124  124 
LCS_GDT     S    85_F     S    85_A     15   29  124      3   12   17   23   34   47   57   80   83   95  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     F    86_F     F    86_A     15   29  124      8   12   17   23   27   29   34   41   70   76   86  114  116  118  120  121  123  123  124  124 
LCS_GDT     V    87_F     V    87_A     15   29  124      7   12   17   23   27   29   38   57   76   94  110  115  116  118  120  121  123  123  124  124 
LCS_GDT     L    88_F     L    88_A     15   29  124      8   12   17   23   27   29   35   45   59   77   85  100  115  118  120  121  123  123  124  124 
LCS_GDT     P    89_F     P    89_A     15   29  124      8   12   17   23   27   29   35   45   60   77   85  100  112  117  120  121  123  123  124  124 
LCS_GDT     G    90_F     G    90_A     15   29  124      8   12   16   23   27   29   35   45   59   74   83   98  111  117  120  121  123  123  124  124 
LCS_GDT     V    91_F     V    91_A     15   29  124      8   12   16   23   27   29   35   46   62   77   89  108  116  118  120  121  123  123  124  124 
LCS_GDT     N    92_F     N    92_A     17   30  124      8   13   17   23   36   66   89  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D    93_F     D    93_A     17   30  124      7   14   17   28   55   78   96  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R    94_F     R    94_A     17   30  124      8   14   24   57   85   99  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A    95_F     A    95_A     17   30  124      8   14   18   40   66   86   99  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   14   17   25   42   70   89  106  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     V    97_F     V    97_A     23   30  124      4   14   50   87   96  104  106  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   92   98  101  104  106  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   76   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A   100_F     A   100_A     24   30  124      7   77   92   98  101  104  106  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   34   92   98  101  104  106  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   29   83   97  101  104  106  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   57   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K   104_F     K   104_A     24   30  124      5   76   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     K   105_F     K   105_A     24   30  124      5   57   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     W   106_F     W   106_A     24   30  124      9   60   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     E   107_F     E   107_A     24   30  124      9   57   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     N   108_F     N   108_A     24   30  124     41   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     C   109_F     C   109_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     D   110_F     D   110_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     A   111_F     A   111_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T   112_F     T   112_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L   113_F     L   113_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     T   114_F     T   114_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     G   115_F     G   115_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     L   116_F     L   116_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     Q   117_F     Q   117_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     R   118_F     R   118_A     24   30  124     52   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I   119_F     I   119_A     24   30  124     55   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     I   120_F     I   120_A     24   30  124     53   78   92   98  101  104  106  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   78   92   98  101  104  106  108  110  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H   122_F     H   122_A     19   30  124      3   15   78   98  101  104  106  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   22   74   93  101  104  106  108  109  112  113  115  116  118  120  121  123  123  124  124 
LCS_GDT     H   124_F     H   124_A     16   30  124      0    3    3   32   93  103  106  108  109  112  113  115  116  118  120  121  123  123  124  124 
LCS_AVERAGE  LCS_A:  64.72  (  44.24   49.92  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     55     78     92     98    101    104    106    108    110    112    113    115    116    118    120    121    123    123    124    124 
GDT PERCENT_AT  44.35  62.90  74.19  79.03  81.45  83.87  85.48  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    0.33   0.49   0.74   0.85   0.94   1.09   1.19   1.31   1.62   1.67   1.78   1.98   2.10   2.37   2.67   2.76   2.98   2.98   3.13   3.13
GDT RMS_ALL_AT   3.22   3.23   3.22   3.23   3.24   3.21   3.21   3.20   3.16   3.16   3.16   3.15   3.15   3.15   3.15   3.14   3.13   3.13   3.13   3.13

# 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     2.131     0    0.033   0.958     3.957   64.762   62.083
LGA    F     2_F      F     2_A     1.156     0    0.060   0.538     3.813   85.952   72.381
LGA    T     3_F      T     3_A     0.275     0    0.130   1.094     3.005   90.595   82.449
LGA    G     4_F      G     4_A     1.467     0    0.053   0.053     1.467   83.690   83.690
LGA    W     5_F      W     5_A     0.915     0    0.029   0.099     1.077   85.952   89.184
LGA    S     6_F      S     6_A     0.929     0    0.028   0.767     1.464   90.476   87.460
LGA    P     7_F      P     7_A     0.535     0    0.022   0.213     1.261   95.238   91.905
LGA    F     8_F      F     8_A     0.443     0    0.030   0.096     0.588  100.000   97.403
LGA    K     9_F      K     9_A     0.424     0    0.048   0.441     2.333   97.619   92.910
LGA    Y    10_F      Y    10_A     0.401     0    0.089   0.117     0.600   97.619   98.413
LGA    S    11_F      S    11_A     0.301     0    0.052   0.638     1.988  100.000   95.476
LGA    K    12_F      K    12_A     0.216     0    0.020   0.170     0.918  100.000   97.884
LGA    G    13_F      G    13_A     0.487     0    0.029   0.029     0.534   97.619   97.619
LGA    N    14_F      N    14_A     0.364     0    0.044   1.057     2.309  100.000   91.190
LGA    T    15_F      T    15_A     0.374     0    0.037   0.195     0.679  100.000   98.639
LGA    V    16_F      V    16_A     0.413     0    0.022   0.028     0.489  100.000  100.000
LGA    T    17_F      T    17_A     0.560     0    0.028   0.046     0.725   92.857   91.837
LGA    F    18_F      F    18_A     0.469     0    0.025   0.099     0.570   95.238   98.268
LGA    K    19_F      K    19_A     0.617     0    0.015   0.919     1.962   95.238   86.667
LGA    T    20_F      T    20_A     0.218     0    0.110   0.154     1.165   92.976   91.905
LGA    P    21_F      P    21_A     0.411     0    0.016   0.254     1.268   92.976   91.973
LGA    D    22_F      D    22_A     1.375     0    0.032   0.115     1.968   81.548   78.274
LGA    E    23_F      E    23_A     1.221     0    0.017   0.427     2.365   81.429   75.820
LGA    S    24_F      S    24_A     1.404     0    0.056   0.096     1.642   81.429   78.571
LGA    S    25_F      S    25_A     0.776     0    0.064   0.165     0.939   90.476   90.476
LGA    I    26_F      I    26_A     0.663     0    0.036   0.092     0.822   90.476   90.476
LGA    A    27_F      A    27_A     0.764     0    0.020   0.022     0.784   90.476   90.476
LGA    Y    28_F      Y    28_A     0.384     0    0.036   0.389     1.334   97.619   92.183
LGA    M    29_F      M    29_A     0.247     0    0.011   0.644     2.867  100.000   93.452
LGA    R    30_F      R    30_A     0.651     0    0.076   0.125     1.399   90.476   86.364
LGA    F    31_F      F    31_A     0.552     0    0.039   0.092     0.604   90.476   94.805
LGA    R    32_F      R    32_A     0.561     0    0.019   0.477     1.286   90.476   92.251
LGA    N    33_F      N    33_A     0.449     0    0.031   0.035     0.674  100.000   95.238
LGA    C    34_F      C    34_A     0.262     0    0.052   0.071     0.464  100.000  100.000
LGA    V    35_F      V    35_A     0.218     0    0.033   0.032     0.277  100.000  100.000
LGA    F    36_F      F    36_A     0.112     0    0.060   0.130     0.617  100.000   97.403
LGA    T    37_F      T    37_A     0.126     0    0.022   0.053     0.198  100.000  100.000
LGA    F    38_F      F    38_A     0.234     0    0.026   0.110     0.345  100.000  100.000
LGA    T    39_F      T    39_A     0.330     0    0.145   1.043     2.920   95.357   84.830
LGA    D    40_F      D    40_A     0.527     0    0.015   0.122     0.622   90.476   90.476
LGA    P    41_F      P    41_A     0.514     0    0.015   0.120     0.813   90.476   90.476
LGA    K    42_F      K    42_A     0.907     0    0.019   0.316     2.854   85.952   77.937
LGA    G    43_F      G    43_A     0.952     0    0.036   0.036     1.158   88.214   88.214
LGA    S    44_F      S    44_A     0.890     0    0.063   0.112     1.158   90.476   88.968
LGA    L    45_F      L    45_A     0.346     0    0.062   0.450     1.673   97.619   90.774
LGA    H    46_F      H    46_A     0.228     0    0.025   0.064     0.633  100.000   97.143
LGA    S    47_F      S    47_A     0.363     0    0.086   0.657     1.683  100.000   93.889
LGA    I    48_F      I    48_A     0.296     0    0.019   1.257     3.275  100.000   83.810
LGA    D    49_F      D    49_A     0.218     0    0.012   0.242     1.003  100.000   97.679
LGA    V    50_F      V    50_A     0.129     0    0.012   0.036     0.270  100.000  100.000
LGA    T    51_F      T    51_A     0.209     0    0.029   0.039     0.348  100.000  100.000
LGA    E    52_F      E    52_A     0.533     0    0.034   1.111     5.480   95.238   72.328
LGA    V    53_F      V    53_A     0.296     0    0.050   0.070     0.507   97.619   98.639
LGA    L    54_F      L    54_A     0.161     0    0.009   0.070     0.322  100.000  100.000
LGA    N    55_F      N    55_A     0.287     0    0.010   0.100     0.551  100.000   98.810
LGA    N    56_F      N    56_A     0.517     0    0.014   0.070     0.624   95.238   92.857
LGA    M    57_F      M    57_A     0.517     0    0.011   0.858     2.337   97.619   90.833
LGA    A    58_F      A    58_A     0.501     0    0.013   0.014     0.615   95.238   94.286
LGA    K    59_F      K    59_A     0.355     0    0.019   0.175     0.554  100.000   98.942
LGA    G    60_F      G    60_A     0.359     0    0.058   0.058     0.359  100.000  100.000
LGA    F    61_F      F    61_A     0.576     0    0.020   0.054     1.228   92.857   88.052
LGA    R    62_F      R    62_A     0.454     0    0.136   0.840     3.242   92.976   78.442
LGA    D    63_F      D    63_A     1.100     0    0.071   0.089     2.005   79.524   83.869
LGA    A    64_F      A    64_A     1.643     0    0.010   0.018     1.853   75.000   74.571
LGA    Q    65_F      Q    65_A     2.515     0    0.021   0.596     4.174   62.857   52.804
LGA    N    66_F      N    66_A     1.528     0    0.057   0.749     3.518   77.143   70.298
LGA    P    67_F      P    67_A     0.833     0    0.107   0.297     1.639   88.214   85.374
LGA    P    68_F      P    68_A     0.705     0    0.050   0.087     0.847   90.476   90.476
LGA    S    69_F      S    69_A     0.387     0    0.085   0.130     0.534   97.619   96.825
LGA    S    70_F      S    70_A     0.449     0    0.037   0.101     0.664   97.619   96.825
LGA    F    71_F      F    71_A     0.444     0    0.047   0.195     1.191  100.000   93.160
LGA    T    72_F      T    72_A     0.768     0    0.019   0.055     0.853   90.476   90.476
LGA    L    73_F      L    73_A     0.802     0    0.110   0.192     1.049   88.214   89.345
LGA    G    74_F      G    74_A     1.553     0    0.587   0.587     5.585   54.286   54.286
LGA    G    75_F      G    75_A     3.596     0    0.126   0.126     3.596   65.952   65.952
LGA    H    76_F      H    76_A     2.625     0    0.622   1.125    10.172   67.381   34.238
LGA    C    77_F      C    77_A     1.816     0    0.641   0.864     3.658   61.905   60.397
LGA    Q    78_F      Q    78_A     7.668     0    0.406   1.225    10.679    9.881    5.767
LGA    A    79_F      A    79_A     8.651     0    0.115   0.151    11.792    2.500    2.571
LGA    P    80_F      P    80_A    10.758     0    0.180   0.443    12.499    0.238    0.136
LGA    L    81_F      L    81_A     9.352     0    0.037   1.175    13.996    7.262    3.631
LGA    N    82_F      N    82_A     4.165     0    0.040   0.471     6.029   37.143   46.310
LGA    A    83_F      A    83_A     3.667     0    0.031   0.030     7.440   38.095   40.476
LGA    F    84_F      F    84_A     6.318     0    0.654   1.274    12.231   21.786    9.567
LGA    S    85_F      S    85_A     7.001     0    0.202   0.648     8.158    8.810    9.286
LGA    F    86_F      F    86_A     8.017     0    0.057   1.287     8.743    7.976   15.628
LGA    V    87_F      V    87_A     7.835     0    0.033   0.037     9.828    3.810    5.646
LGA    L    88_F      L    88_A     9.449     0    0.036   1.384    13.128    2.024    1.190
LGA    P    89_F      P    89_A    10.659     0    0.015   0.053    12.022    0.000    0.000
LGA    G    90_F      G    90_A    10.605     0    0.031   0.031    10.605    0.000    0.000
LGA    V    91_F      V    91_A     9.021     0    0.053   0.066    10.838    5.000    3.265
LGA    N    92_F      N    92_A     5.832     0    0.045   0.055     7.069   21.071   21.429
LGA    D    93_F      D    93_A     5.970     0    0.021   0.163     7.928   24.048   17.500
LGA    R    94_F      R    94_A     4.377     0    0.010   0.653     5.715   35.952   31.732
LGA    A    95_F      A    95_A     5.545     0    0.037   0.042     6.465   22.619   21.524
LGA    T    96_F      T    96_A     5.748     0    0.044   0.378     7.582   23.810   18.980
LGA    V    97_F      V    97_A     3.337     0    0.161   0.181     4.592   54.167   50.748
LGA    A    98_F      A    98_A     1.645     0    0.116   0.127     2.310   75.119   73.048
LGA    T    99_F      T    99_A     1.529     0    0.012   0.073     1.910   77.143   75.306
LGA    A   100_F      A   100_A     1.360     0    0.000   0.000     1.564   79.286   79.714
LGA    D   101_F      D   101_A     1.835     0    0.000   0.651     2.601   70.833   69.881
LGA    E   102_F      E   102_A     2.351     0    0.060   1.307     5.873   62.857   53.228
LGA    A   103_F      A   103_A     1.738     0    0.040   0.046     1.773   72.857   74.571
LGA    K   104_F      K   104_A     1.317     0    0.019   1.117     4.773   79.286   66.138
LGA    K   105_F      K   105_A     1.748     0    0.073   0.207     1.967   72.857   73.810
LGA    W   106_F      W   106_A     1.737     0    0.098   0.189     1.777   72.857   76.531
LGA    E   107_F      E   107_A     1.687     0    0.043   0.761     4.834   79.405   59.259
LGA    N   108_F      N   108_A     0.823     0    0.065   0.142     1.665   90.595   84.940
LGA    C   109_F      C   109_A     0.425     0    0.021   0.049     0.760   95.238   93.651
LGA    D   110_F      D   110_A     0.596     0    0.078   0.699     3.125   92.857   79.226
LGA    A   111_F      A   111_A     0.327     0    0.019   0.023     0.400  100.000  100.000
LGA    T   112_F      T   112_A     0.312     0    0.041   0.091     0.424  100.000  100.000
LGA    L   113_F      L   113_A     0.198     0    0.028   0.097     0.360  100.000  100.000
LGA    T   114_F      T   114_A     0.272     0    0.037   0.050     0.514  100.000   98.639
LGA    G   115_F      G   115_A     0.308     0    0.021   0.021     0.450  100.000  100.000
LGA    L   116_F      L   116_A     0.495     0    0.011   0.064     0.655  100.000   95.238
LGA    Q   117_F      Q   117_A     0.641     0    0.024   0.875     2.239   90.476   85.661
LGA    R   118_F      R   118_A     0.709     0    0.064   0.760     3.429   92.857   82.987
LGA    I   119_F      I   119_A     0.551     0    0.010   0.124     0.793   90.476   92.857
LGA    I   120_F      I   120_A     0.784     0    0.016   1.248     4.149   90.595   81.726
LGA    H   121_F      H   121_A     1.013     0    0.015   0.449     1.960   83.690   80.619
LGA    H   122_F      H   122_A     2.138     0    0.070   1.409     6.670   66.786   47.524
LGA    H   123_F      H   123_A     2.486     0    0.184   1.164     3.030   60.952   67.619
LGA    H   124_F      H   124_A     3.554     0    0.623   0.947     5.605   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):     3.129          3.135                  3.386           77.545   74.409

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0    108    1.31    81.653    75.408     7.634

LGA_LOCAL      RMSD:   1.315  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.198  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   3.129  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.261832 * X  +  -0.002260 * Y  +  -0.965111 * Z  + -60.743587
  Y_new =   0.735247 * X  +   0.648249 * Y  +   0.197952 * Z  +  13.105543
  Z_new =   0.625185 * X  +  -0.761425 * Y  +   0.171394 * Z  +   0.677490 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.228685 -0.675369 -1.349390   [DEG:   70.3985  -38.6958  -77.3144 ]
ZXZ: -1.773099  1.398552  2.454134   [DEG: -101.5911   80.1311  140.6115 ]
 
# END of job
