
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113       5_B - 117_B       4.98     5.31
  LCS_AVERAGE:     95.94

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      55_B - 117_B       1.88     5.70
  LCS_AVERAGE:     37.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24       7_B - 30_B        0.96     6.33
  LCS_AVERAGE:     11.74

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      5   10   47      3    4    5   18   31   37   41   65   73   91  100  100  102  103  104  106  106  107  108  109 
LCS_GDT     K     3_C     K     3_B      5   10   47      3    4    6    7    9   23   27   39   61   68   91  100  102  103  103  106  106  107  108  109 
LCS_GDT     S     4_C     S     4_B      5   28   47      3    4   15   23   31   37   62   75   84   98  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     K     5_C     K     5_B      5   28  113      3    4    6   36   56   79   91   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     M     6_C     M     6_B      5   28  113      3    4    6   36   47   78   91   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L     7_C     L     7_B     24   28  113      7   40   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S     8_C     S     8_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N     9_C     N     9_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    10_C     I    10_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     V    11_C     V    11_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    12_C     I    12_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Q    13_C     Q    13_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E    14_C     E    14_B     24   28  113     19   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     V    15_C     V    15_B     24   28  113     17   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     K    16_C     K    16_B     24   28  113     17   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F    17_C     F    17_B     24   28  113     15   43   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     A    18_C     A    18_B     24   28  113     12   34   57   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    19_C     I    19_B     24   28  113     10   32   51   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E    20_C     E    20_B     24   28  113      9   25   50   74   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D    21_C     D    21_B     24   28  113      4    9   21   48   71   89   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Y    22_C     Y    22_B     24   28  113      4   16   31   50   70   85   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     C    23_C     C    23_B     24   28  113      9   28   50   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     A    24_C     A    24_B     24   28  113     12   32   57   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    25_C     I    25_B     24   28  113     15   40   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    26_C     L    26_B     24   28  113     16   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    27_C     S    27_B     24   28  113     19   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F    28_C     F    28_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     A    29_C     A    29_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    30_C     S    30_B     24   28  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D    31_C     D    31_B      6   28  113      5   24   46   71   80   90   92   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    32_C     S    32_B      3    6  113      1    3    8   10   16   24   29   47   76   85   92   97  101  103  103  106  106  107  108  109 
LCS_GDT     Y    33_C     Y    33_B      5    6  113      3    4    4   11   16   24   27   38   61   78   86   90   95  100  102  103  105  105  107  107 
LCS_GDT     E    34_C     E    34_B      5    6  113      3    3    4    5    6    8   11   12   27   29   31   34   40   63   70   75   88   93   97  105 
LCS_GDT     V    35_C     V    35_B      5    6  113      3    4    4    6    7   17   26   30   41   61   70   83   93   97   98  102  105  105  106  108 
LCS_GDT     P    36_C     P    36_B      5   13  113      3    4    4   15   23   27   47   76   87   92   97  100  101  103  104  106  106  107  108  109 
LCS_GDT     E    37_C     E    37_B      9   13  113     13   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Q    38_C     Q    38_B      9   13  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Y    39_C     Y    39_B      9   13  113     15   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F    40_C     F    40_B      9   13  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    41_C     I    41_B      9   13  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    42_C     I    42_B      9   13  113     16   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     T    43_C     T    43_B      9   13  113     15   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     R    44_C     R    44_B      9   13  113     15   41   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    45_C     S    45_B      9   13  113      3    7   31   50   75   84   92   95   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     T    46_C     T    46_B      9   13  113      3    6   24   48   71   77   90   95   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     T    47_C     T    47_B      5   13  113      3    4   13   32   56   77   82   88   96   98   98  101  101  103  104  106  106  107  108  109 
LCS_GDT     E    48_C     E    48_B      4   13  113      3    4   10   13   21   33   52   73   81   85   90   96   98  101  104  106  106  107  108  109 
LCS_GDT     R    49_C     R    49_B      4   13  113      3    4    4    8   12   15   31   35   52   70   82   87   92   97  102  103  106  107  108  109 
LCS_GDT     S    50_C     S    50_B      4    4  113      3    4    4    4    4    5    9   11   12   15   19   29   39   49   54   65   81   92  101  104 
LCS_GDT     G    51_C     G    51_B      4    4  113      3    4    4    4    5    9   10   12   14   17   21   29   39   49   54   68   73   85   96  102 
LCS_GDT     G    52_C     G    52_B      3    5  113      0    3    4    5    7   10   11   12   14   17   23   25   30   49   54   62   62   70   76   92 
LCS_GDT     I    53_C     I    53_B      3    5  113      3    3    4    5    5    6    8   10   13   17   23   33   43   49   54   62   62   74   76  105 
LCS_GDT     P    54_C     P    54_B      3    7  113      3    3    4    5    9   10   13   19   29   51   73   81   91  100  104  106  106  107  108  109 
LCS_GDT     E    55_C     E    55_B      3   63  113      3    7   20   41   70   77   89   95   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     G    56_C     G    56_B     11   63  113      3   22   50   63   81   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D    57_C     D    57_B     11   63  113     15   38   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    58_C     I    58_B     11   63  113     15   38   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Y    59_C     Y    59_B     11   63  113     15   42   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    60_C     L    60_B     11   63  113     15   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E    61_C     E    61_B     11   63  113     19   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    62_C     S    62_B     11   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N    63_C     N    63_B     11   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    64_C     L    64_B     11   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F    65_C     F    65_B     11   63  113     24   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    66_C     L    66_B     11   63  113     24   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D    67_C     D    67_B      8   63  113      5   18   48   72   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F    68_C     F    68_B      6   63  113      3   15   47   72   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N    69_C     N    69_B      6   63  113      3   19   52   73   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     P    70_C     P    70_B      3   63  113      7   14   40   71   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Y    71_C     Y    71_B      3   63  113     10   27   53   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     G    72_C     G    72_B      6   63  113      3    6   12   37   67   82   92   96   97   98  100  101  102  103  103  106  106  107  108  109 
LCS_GDT     L    73_C     L    73_B     18   63  113      4   18   53   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    74_C     S    74_B     18   63  113     10   32   62   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     G    75_C     G    75_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Y    76_C     Y    76_B     18   63  113     25   43   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    77_C     L    77_B     18   63  113     25   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    78_C     L    78_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     S    79_C     S    79_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E    80_C     E    80_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     P    81_C     P    81_B     18   63  113      3   20   44   73   86   90   93   95   97   99  100  101  101  103  104  106  106  107  108  109 
LCS_GDT     N    82_C     N    82_B     18   63  113      7   37   62   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     C    83_C     C    83_B     18   63  113      7   39   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     V    84_C     V    84_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D    85_C     D    85_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    86_C     L    86_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    87_C     L    87_B     18   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    88_C     I    88_B     18   63  113     23   41   60   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E    89_C     E    89_B     18   63  113     12   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     P    90_C     P    90_B     18   63  113     19   43   61   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N    91_C     N    91_B     10   63  113      3    4   22   54   72   87   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N    92_C     N    92_B     10   63  113      3   18   52   72   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     Y    93_C     Y    93_B     10   63  113      7   39   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     V    94_C     V    94_B     10   63  113     17   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     R    95_C     R    95_B     10   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    96_C     L    96_B     10   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     R    97_C     R    97_B     10   63  113     26   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L    98_C     L    98_B      9   63  113     23   44   64   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I    99_C     I    99_B      9   63  113     23   43   60   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E   100_C     E   100_B      9   63  113      4   24   53   74   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     K   101_C     K   101_B     15   63  113      7   21   46   73   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I   102_C     I   102_B     15   63  113      7   21   53   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D   103_C     D   103_B     15   63  113      3   11   49   65   85   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     I   104_C     I   104_B     15   63  113      5   31   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L   105_C     L   105_B     15   63  113      9   37   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E   106_C     E   106_B     15   63  113      9   37   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     V   107_C     V   107_B     15   63  113      8   27   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     E   108_C     E   108_B     15   63  113      9   26   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N   109_C     N   109_B     15   63  113      9   32   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     H   110_C     H   110_B     15   63  113      9   32   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L   111_C     L   111_B     15   63  113      9   26   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     K   112_C     K   112_B     15   63  113      9   33   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F   113_C     F   113_B     15   63  113      9   27   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     L   114_C     L   114_B     15   63  113      9   42   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     F   115_C     F   115_B     15   63  113     17   44   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     D   116_C     D   116_B     14   63  113     12   40   65   78   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_GDT     N   117_C     N   117_B     14   63  113      3   35   58   73   86   90   93   96   97   99  100  101  102  103  104  106  106  107  108  109 
LCS_AVERAGE  LCS_A:  48.29  (  11.74   37.19   95.94 )

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     26     44     65     78     86     90     93     96     97     99    100    101    102    103    104    106    106    107    108    109 
GDT PERCENT_AT  22.41  37.93  56.03  67.24  74.14  77.59  80.17  82.76  83.62  85.34  86.21  87.07  87.93  88.79  89.66  91.38  91.38  92.24  93.10  93.97
GDT RMS_LOCAL    0.36   0.65   0.97   1.20   1.42   1.50   1.70   1.89   1.90   2.04   2.09   2.21   2.64   2.65   2.86   3.04   3.04   3.31   3.46   3.62
GDT RMS_ALL_AT   5.98   5.74   5.55   5.61   5.67   5.66   5.70   5.73   5.73   5.61   5.62   5.57   5.67   5.67   5.48   5.56   5.56   5.38   5.38   5.40

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    89_C      E    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    11.007     0    0.077   0.178    12.676    0.000    2.517
LGA    K     3_C      K     3_B    11.915     0    0.106   0.939    19.114    1.905    0.847
LGA    S     4_C      S     4_B     8.063     0    0.354   0.405    11.195    9.881    6.825
LGA    K     5_C      K     5_B     4.783     0    0.327   1.031     7.447   25.119   29.418
LGA    M     6_C      M     6_B     4.712     0    0.101   0.635    13.355   40.833   22.560
LGA    L     7_C      L     7_B     1.978     0    0.661   1.042     7.943   71.071   44.286
LGA    S     8_C      S     8_B     0.746     0    0.155   0.187     1.056   92.857   90.556
LGA    N     9_C      N     9_B     0.580     0    0.053   0.062     0.871   92.857   94.048
LGA    I    10_C      I    10_B     0.452     0    0.103   0.656     3.017  100.000   88.036
LGA    V    11_C      V    11_B     0.911     0    0.057   0.077     1.234   85.952   84.014
LGA    I    12_C      I    12_B     0.999     0    0.056   0.088     1.163   88.214   87.083
LGA    Q    13_C      Q    13_B     0.909     0    0.081   0.634     1.928   88.214   81.640
LGA    E    14_C      E    14_B     0.921     0    0.028   0.737     4.095   90.476   77.778
LGA    V    15_C      V    15_B     0.894     0    0.017   0.049     1.026   90.476   89.184
LGA    K    16_C      K    16_B     0.881     0    0.026   0.529     3.622   90.476   78.413
LGA    F    17_C      F    17_B     1.006     0    0.101   1.134     7.174   88.214   55.801
LGA    A    18_C      A    18_B     1.220     0    0.023   0.033     1.263   81.429   81.429
LGA    I    19_C      I    19_B     1.718     0    0.048   0.072     2.148   75.000   71.905
LGA    E    20_C      E    20_B     2.379     0    0.147   0.262     3.365   60.952   58.889
LGA    D    21_C      D    21_B     4.374     0    0.042   0.322     5.358   37.262   32.381
LGA    Y    22_C      Y    22_B     4.280     0    0.168   0.147     7.620   38.690   23.373
LGA    C    23_C      C    23_B     1.972     0    0.032   0.122     2.463   70.833   74.444
LGA    A    24_C      A    24_B     1.525     0    0.017   0.020     1.767   77.143   76.286
LGA    I    25_C      I    25_B     1.049     0    0.040   0.440     2.206   85.952   81.607
LGA    L    26_C      L    26_B     0.868     0    0.049   0.218     1.838   90.476   84.881
LGA    S    27_C      S    27_B     0.545     0    0.081   0.622     2.649   90.476   86.508
LGA    F    28_C      F    28_B     0.587     0    0.130   0.130     1.458   90.476   87.186
LGA    A    29_C      A    29_B     1.076     0    0.055   0.062     1.247   88.214   86.857
LGA    S    30_C      S    30_B     1.062     0    0.673   0.627     2.148   77.262   77.222
LGA    D    31_C      D    31_B     3.592     0    0.556   1.183     8.174   27.857   34.583
LGA    S    32_C      S    32_B    10.874     0    0.568   0.496    15.170    1.190    0.794
LGA    Y    33_C      Y    33_B    13.122     0    0.562   1.484    15.403    0.000    0.000
LGA    E    34_C      E    34_B    18.684     0    0.046   1.010    25.785    0.000    0.000
LGA    V    35_C      V    35_B    14.069     0    0.388   1.140    15.721    0.119    0.068
LGA    P    36_C      P    36_B     8.489     0    0.031   0.296    13.058    8.810    5.102
LGA    E    37_C      E    37_B     1.664     0    0.628   0.511     5.572   72.024   63.598
LGA    Q    38_C      Q    38_B     0.748     0    0.025   0.164     2.242   88.214   81.693
LGA    Y    39_C      Y    39_B     0.961     0    0.072   1.329     8.687   90.476   54.643
LGA    F    40_C      F    40_B     0.780     0    0.093   0.190     2.246   92.857   79.481
LGA    I    41_C      I    41_B     0.641     0    0.047   0.111     0.773   90.476   92.857
LGA    I    42_C      I    42_B     0.984     0    0.065   0.568     2.922   90.476   81.845
LGA    T    43_C      T    43_B     1.063     0    0.048   0.176     1.245   81.429   84.014
LGA    R    44_C      R    44_B     1.380     0    0.090   0.365     3.004   67.500   69.091
LGA    S    45_C      S    45_B     4.743     0    0.612   0.587     6.053   32.262   27.937
LGA    T    46_C      T    46_B     5.907     0    0.417   0.502     7.424   16.548   19.456
LGA    T    47_C      T    47_B     8.380     0    0.317   0.327    11.577    2.976    4.898
LGA    E    48_C      E    48_B    12.813     0    0.633   0.594    15.961    0.000    0.000
LGA    R    49_C      R    49_B    14.103     0    0.203   1.148    15.591    0.000    0.000
LGA    S    50_C      S    50_B    18.086     0    0.359   0.396    21.585    0.000    0.000
LGA    G    51_C      G    51_B    20.326     0    0.085   0.085    20.326    0.000    0.000
LGA    G    52_C      G    52_B    21.065     0    0.668   0.668    21.407    0.000    0.000
LGA    I    53_C      I    53_B    18.315     0    0.671   1.493    20.633    0.000    0.000
LGA    P    54_C      P    54_B    13.227     0    0.060   0.435    16.630    0.000    0.000
LGA    E    55_C      E    55_B     6.069     0    0.043   0.958     8.683   17.143   29.312
LGA    G    56_C      G    56_B     2.998     0    0.612   0.612     2.998   57.143   57.143
LGA    D    57_C      D    57_B     1.810     0    0.022   0.960     4.988   72.976   60.655
LGA    I    58_C      I    58_B     1.812     0    0.085   1.064     2.804   70.833   68.869
LGA    Y    59_C      Y    59_B     1.716     0    0.073   0.214     2.838   72.857   65.595
LGA    L    60_C      L    60_B     1.365     0    0.093   0.190     2.014   77.143   73.988
LGA    E    61_C      E    61_B     0.952     0    0.047   0.151     1.956   90.476   82.593
LGA    S    62_C      S    62_B     0.639     0    0.028   0.089     0.907   90.476   92.063
LGA    N    63_C      N    63_B     0.870     0    0.164   0.241     1.427   88.214   88.214
LGA    L    64_C      L    64_B     0.732     0    0.067   1.115     3.692   88.214   81.190
LGA    F    65_C      F    65_B     1.057     0    0.546   1.443    10.091   81.786   42.944
LGA    L    66_C      L    66_B     0.213     0    0.059   1.265     5.083   90.595   75.119
LGA    D    67_C      D    67_B     2.460     0    0.098   0.930     7.616   66.786   43.929
LGA    F    68_C      F    68_B     2.494     0    0.705   1.222     5.332   60.952   53.506
LGA    N    69_C      N    69_B     2.549     0    0.242   0.893     5.274   62.976   51.190
LGA    P    70_C      P    70_B     2.192     0    0.668   0.700     4.139   62.024   61.156
LGA    Y    71_C      Y    71_B     2.279     0    0.597   1.279    12.103   70.833   30.119
LGA    G    72_C      G    72_B     4.400     0    0.421   0.421     4.400   43.452   43.452
LGA    L    73_C      L    73_B     2.162     0    0.063   1.306     3.747   59.167   55.595
LGA    S    74_C      S    74_B     1.809     0    0.072   0.087     2.106   72.857   70.159
LGA    G    75_C      G    75_B     1.180     0    0.052   0.052     1.180   83.690   83.690
LGA    Y    76_C      Y    76_B     1.630     0    0.075   1.276     9.642   70.833   45.397
LGA    L    77_C      L    77_B     1.637     0    0.033   0.144     1.721   75.000   73.929
LGA    L    78_C      L    78_B     1.327     0    0.058   0.941     3.204   81.429   73.571
LGA    S    79_C      S    79_B     1.039     0    0.242   0.651     2.471   77.262   75.873
LGA    E    80_C      E    80_B     0.704     0    0.065   1.406     7.074   68.810   47.143
LGA    P    81_C      P    81_B     3.252     0    0.116   0.472     5.920   57.381   44.898
LGA    N    82_C      N    82_B     2.015     0    0.056   0.673     3.662   68.810   63.214
LGA    C    83_C      C    83_B     1.673     0    0.035   0.744     1.915   75.000   75.714
LGA    V    84_C      V    84_B     1.150     0    0.045   0.058     1.266   83.690   82.721
LGA    D    85_C      D    85_B     1.118     0    0.034   0.168     1.288   81.429   83.690
LGA    L    86_C      L    86_B     0.839     0    0.043   1.273     3.115   90.476   80.119
LGA    L    87_C      L    87_B     0.953     0    0.080   0.965     3.200   85.952   78.690
LGA    I    88_C      I    88_B     1.695     0    0.579   0.683     3.872   67.619   69.226
LGA    E    89_C      E    89_B     1.444     0    0.094   0.922     3.561   72.976   63.492
LGA    P    90_C      P    90_B     1.134     0    0.635   0.773     3.757   79.286   69.048
LGA    N    91_C      N    91_B     4.299     0    0.049   1.245     9.929   40.476   23.393
LGA    N    92_C      N    92_B     2.443     0    0.105   1.209     6.371   62.857   51.607
LGA    Y    93_C      Y    93_B     0.886     0    0.074   1.263     8.553   83.810   53.690
LGA    V    94_C      V    94_B     0.669     0    0.040   0.190     1.075   92.857   90.544
LGA    R    95_C      R    95_B     0.399     0    0.123   1.271     2.790   97.619   86.277
LGA    L    96_C      L    96_B     0.379     0    0.173   0.236     1.068   95.357   95.298
LGA    R    97_C      R    97_B     0.221     0    0.141   0.874     2.326   97.619   90.823
LGA    L    98_C      L    98_B     1.279     0    0.101   0.170     1.809   81.548   80.417
LGA    I    99_C      I    99_B     1.517     0    0.637   0.675     4.904   64.048   58.393
LGA    E   100_C      E   100_B     2.641     0    0.645   1.214    11.360   69.048   35.344
LGA    K   101_C      K   101_B     2.023     0    0.504   1.221    12.857   77.381   41.640
LGA    I   102_C      I   102_B     1.580     0    0.077   0.124     1.718   72.857   78.274
LGA    D   103_C      D   103_B     2.368     0    0.590   0.853     4.899   54.524   56.845
LGA    I   104_C      I   104_B     1.841     0    0.704   0.530     7.522   79.405   55.536
LGA    L   105_C      L   105_B     1.893     0    0.327   1.382     6.344   70.833   54.226
LGA    E   106_C      E   106_B     1.830     0    0.016   0.605     1.922   72.857   76.720
LGA    V   107_C      V   107_B     2.046     0    0.051   0.893     3.614   68.810   65.170
LGA    E   108_C      E   108_B     2.024     0    0.031   0.661     2.040   64.762   68.360
LGA    N   109_C      N   109_B     2.035     0    0.040   0.144     2.468   68.810   67.798
LGA    H   110_C      H   110_B     1.800     0    0.074   1.476     6.151   72.857   52.429
LGA    L   111_C      L   111_B     1.823     0    0.028   0.182     2.460   72.857   69.821
LGA    K   112_C      K   112_B     1.682     0    0.115   0.813     6.372   72.857   56.138
LGA    F   113_C      F   113_B     1.924     0    0.033   0.198     3.405   72.857   63.680
LGA    L   114_C      L   114_B     1.148     0    0.024   1.083     3.435   81.429   75.476
LGA    F   115_C      F   115_B     1.003     0    0.199   1.227     4.703   79.286   67.706
LGA    D   116_C      D   116_B     1.266     0    0.634   0.697     3.324   79.881   68.690
LGA    N   117_C      N   117_B     2.786     0    0.427   1.452     6.587   49.524   42.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     5.252          5.241                  5.687           63.772   57.068

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     96    1.89    69.828    65.018     4.836

LGA_LOCAL      RMSD:   1.885  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.732  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   5.252  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.163209 * X  +   0.753387 * Y  +   0.637001 * Z  + -39.044331
  Y_new =  -0.872080 * X  +   0.191754 * Y  +  -0.450229 * Z  + -12.000252
  Z_new =  -0.461345 * X  +  -0.628998 * Y  +   0.625718 * Z  +  21.011559 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.755805  0.479510 -0.788012   [DEG: -100.6002   27.4739  -45.1498 ]
ZXZ:  0.955525  0.894745 -2.508761   [DEG:   54.7475   51.2651 -143.7414 ]
 
# END of job
