
#######################################################
#                                                     #
#                        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:   114       4_B - 117_B       4.88     5.15
  LCS_AVERAGE:     97.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      56_B - 117_B       1.97     5.63
  LCS_AVERAGE:     36.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24       7_B - 30_B        0.98     5.99
  LCS_AVERAGE:     11.27

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      7   10   48      4    4    8   20   25   46   60   73   81   86   94  101  102  103  104  105  106  108  108  110 
LCS_GDT     K     3_C     K     3_B      7   10   48      3    6    8    9    9   13   17   35   42   72   82   88   99  103  104  105  106  108  108  110 
LCS_GDT     S     4_C     S     4_B      7   27  114      3    6    8   20   25   31   34   71   81   86   94  101  102  103  104  105  106  108  108  110 
LCS_GDT     K     5_C     K     5_B      7   27  114      3   18   41   60   71   84   93   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     M     6_C     M     6_B      7   27  114      4   10   22   39   58   73   85   94   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L     7_C     L     7_B     24   27  114      7   40   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S     8_C     S     8_B     24   27  114     12   39   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N     9_C     N     9_B     24   27  114     17   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    10_C     I    10_B     24   27  114      9   38   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     V    11_C     V    11_B     24   27  114     17   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    12_C     I    12_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Q    13_C     Q    13_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E    14_C     E    14_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     V    15_C     V    15_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     K    16_C     K    16_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F    17_C     F    17_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     A    18_C     A    18_B     24   27  114     18   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    19_C     I    19_B     24   27  114     13   41   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E    20_C     E    20_B     24   27  114     12   37   58   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D    21_C     D    21_B     24   27  114      4   12   31   58   78   88   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Y    22_C     Y    22_B     24   27  114      4   18   39   58   76   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     C    23_C     C    23_B     24   27  114      5   31   53   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     A    24_C     A    24_B     24   27  114     12   37   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    25_C     I    25_B     24   27  114     12   41   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    26_C     L    26_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    27_C     S    27_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F    28_C     F    28_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     A    29_C     A    29_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    30_C     S    30_B     24   27  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D    31_C     D    31_B      8   27  114      1   14   47   69   80   88   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    32_C     S    32_B      3    9  114      0    3    3   13   21   29   34   51   61   87   94  100  101  103  103  104  106  108  108  110 
LCS_GDT     Y    33_C     Y    33_B      3    9  114      3    4    6    9   14   16   22   29   44   64   84   89   97  101  102  104  106  108  108  108 
LCS_GDT     E    34_C     E    34_B      3    9  114      3    4    6    9   10   14   19   29   32   42   72   89   91   95   99  104  106  108  108  108 
LCS_GDT     V    35_C     V    35_B      3    9  114      3    4    6    9   23   36   67   83   91   95   98  101  102  103  104  105  106  108  108  110 
LCS_GDT     P    36_C     P    36_B      5   14  114      3   15   39   60   77   88   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E    37_C     E    37_B      8   14  114     11   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Q    38_C     Q    38_B      8   14  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Y    39_C     Y    39_B      8   14  114     10   39   60   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F    40_C     F    40_B      8   14  114     14   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    41_C     I    41_B      8   14  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    42_C     I    42_B      8   14  114     13   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     T    43_C     T    43_B      8   14  114     12   41   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     R    44_C     R    44_B      8   14  114     12   37   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    45_C     S    45_B      5   14  114      4   12   28   58   75   82   89   96   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     T    46_C     T    46_B      5   14  114      4    7   14   39   67   76   82   89   95   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     T    47_C     T    47_B      5   14  114      4    4    8   17   33   47   68   79   85   90   96   99  101  102  104  105  106  107  108  110 
LCS_GDT     E    48_C     E    48_B      5   14  114      4    6    9   13   15   27   41   60   76   81   88   95   98  101  103  105  106  107  108  110 
LCS_GDT     R    49_C     R    49_B      5   14  114      3    4    8   13   14   23   40   47   66   78   84   89   97  101  102  105  106  107  108  110 
LCS_GDT     S    50_C     S    50_B      4    5  114      3    4    4    4    4    9   12   13   16   24   27   33   44   46   53   68   84   93  103  105 
LCS_GDT     G    51_C     G    51_B      4    6  114      3    4    4    5    7   10   12   12   17   20   25   33   35   39   45   53   58   72   79   90 
LCS_GDT     G    52_C     G    52_B      4    6  114      3    4    4    6    7   10   12   12   13   18   20   24   29   39   42   45   55   62   67   76 
LCS_GDT     I    53_C     I    53_B      4    6  114      3    4    4    6    7    8    9   11   13   15   25   38   44   50   59   60   67  103  108  110 
LCS_GDT     P    54_C     P    54_B      4    6  114      3    4    4    6    8   10   12   22   41   62   80   91   98  102  104  105  106  107  108  110 
LCS_GDT     E    55_C     E    55_B      4   12  114      3    9   26   56   72   82   88   96   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     G    56_C     G    56_B      9   62  114      4   14   34   52   72   86   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D    57_C     D    57_B      9   62  114     12   30   56   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    58_C     I    58_B      9   62  114      8   33   57   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Y    59_C     Y    59_B      9   62  114     12   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    60_C     L    60_B      9   62  114     13   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E    61_C     E    61_B      9   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    62_C     S    62_B      9   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N    63_C     N    63_B      9   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    64_C     L    64_B      9   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F    65_C     F    65_B      3   62  114      3    3    4   54   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    66_C     L    66_B      3   62  114      5   30   55   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D    67_C     D    67_B      3   62  114      3   15   30   63   79   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F    68_C     F    68_B      3   62  114      3    6   10   45   78   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N    69_C     N    69_B      3   62  114      4    7   42   63   80   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     P    70_C     P    70_B      3   62  114      3   25   43   73   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Y    71_C     Y    71_B      3   62  114      5   27   53   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     G    72_C     G    72_B      8   62  114      4    9   15   32   49   77   90   97   97   99  100  101  102  103  104  105  106  108  108  109 
LCS_GDT     L    73_C     L    73_B      9   62  114      9   24   37   56   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    74_C     S    74_B     12   62  114      9   25   39   72   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     G    75_C     G    75_B     12   62  114      9   25   53   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Y    76_C     Y    76_B     12   62  114      9   36   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    77_C     L    77_B     12   62  114      7   32   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    78_C     L    78_B     12   62  114      5   19   58   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     S    79_C     S    79_B     12   62  114      5   36   58   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E    80_C     E    80_B     12   62  114      8   36   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     P    81_C     P    81_B     12   62  114      3   32   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N    82_C     N    82_B     12   62  114      3   18   36   52   72   88   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     C    83_C     C    83_B     17   62  114      9   37   61   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     V    84_C     V    84_B     17   62  114      9   33   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D    85_C     D    85_B     17   62  114     14   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    86_C     L    86_B     17   62  114     12   36   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    87_C     L    87_B     17   62  114      9   29   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    88_C     I    88_B     17   62  114      9   25   56   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E    89_C     E    89_B     17   62  114     12   36   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     P    90_C     P    90_B     17   62  114     12   39   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N    91_C     N    91_B     17   62  114      4   32   49   65   77   87   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N    92_C     N    92_B     17   62  114      4   39   56   70   80   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     Y    93_C     Y    93_B     17   62  114     13   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     V    94_C     V    94_B     17   62  114     12   39   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     R    95_C     R    95_B     17   62  114     14   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    96_C     L    96_B     17   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     R    97_C     R    97_B     17   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L    98_C     L    98_B     17   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I    99_C     I    99_B     17   62  114     18   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E   100_C     E   100_B     14   62  114     20   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     K   101_C     K   101_B     14   62  114     12   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I   102_C     I   102_B     14   62  114     14   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D   103_C     D   103_B     14   62  114     14   41   61   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     I   104_C     I   104_B     14   62  114      4   11   34   58   76   89   93   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L   105_C     L   105_B     14   62  114      8   28   46   73   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E   106_C     E   106_B     14   62  114      8   28   56   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     V   107_C     V   107_B     14   62  114     12   39   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     E   108_C     E   108_B     14   62  114     12   38   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N   109_C     N   109_B     14   62  114     12   39   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     H   110_C     H   110_B     14   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L   111_C     L   111_B     14   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     K   112_C     K   112_B     14   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F   113_C     F   113_B     14   62  114     20   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     L   114_C     L   114_B     14   62  114     21   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     F   115_C     F   115_B     14   62  114     17   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     D   116_C     D   116_B     14   62  114     17   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_GDT     N   117_C     N   117_B     14   62  114     11   43   62   74   81   89   94   97   98   99  100  101  102  103  104  105  106  108  108  110 
LCS_AVERAGE  LCS_A:  48.31  (  11.27   36.36   97.29 )

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     21     43     62     74     81     89     94     97     98     99    100    101    102    103    104    105    106    108    108    110 
GDT PERCENT_AT  18.10  37.07  53.45  63.79  69.83  76.72  81.03  83.62  84.48  85.34  86.21  87.07  87.93  88.79  89.66  90.52  91.38  93.10  93.10  94.83
GDT RMS_LOCAL    0.33   0.62   0.96   1.15   1.32   1.59   1.75   1.88   1.92   1.98   2.06   2.15   2.29   2.56   2.67   2.94   3.15   3.45   3.44   3.97
GDT RMS_ALL_AT   5.42   5.39   5.42   5.41   5.49   5.56   5.57   5.60   5.51   5.54   5.54   5.49   5.47   5.50   5.48   5.30   5.26   5.49   5.25   5.20

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  E   108_C      E   108_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    11.476     0    0.076   0.174    13.799    0.000    2.993
LGA    K     3_C      K     3_B    13.244     0    0.108   0.988    21.210    0.714    0.317
LGA    S     4_C      S     4_B    10.108     0    0.033   0.756    12.380    1.310    0.873
LGA    K     5_C      K     5_B     4.387     0    0.630   0.967     5.954   30.357   40.106
LGA    M     6_C      M     6_B     5.768     0    0.373   0.893    14.498   35.238   18.274
LGA    L     7_C      L     7_B     1.206     0    0.648   1.418     7.200   77.143   50.655
LGA    S     8_C      S     8_B     0.945     0    0.010   0.561     3.113   92.857   83.810
LGA    N     9_C      N     9_B     0.661     0    0.051   0.854     3.891   88.214   75.179
LGA    I    10_C      I    10_B     1.202     0    0.129   0.784     4.316   83.690   74.940
LGA    V    11_C      V    11_B     0.762     0    0.051   0.080     1.381   95.238   89.320
LGA    I    12_C      I    12_B     0.445     0    0.061   0.112     0.833   92.857   96.429
LGA    Q    13_C      Q    13_B     0.752     0    0.024   1.260     4.563   90.476   78.201
LGA    E    14_C      E    14_B     0.821     0    0.031   0.574     1.547   90.476   87.513
LGA    V    15_C      V    15_B     0.552     0    0.034   0.086     0.570   95.238   97.279
LGA    K    16_C      K    16_B     0.484     0    0.029   0.745     3.410   95.238   87.196
LGA    F    17_C      F    17_B     0.607     0    0.053   0.072     1.193   92.857   88.052
LGA    A    18_C      A    18_B     0.572     0    0.018   0.040     0.687   92.857   92.381
LGA    I    19_C      I    19_B     0.916     0    0.047   0.062     1.163   85.952   87.083
LGA    E    20_C      E    20_B     1.899     0    0.131   0.780     6.635   66.905   45.344
LGA    D    21_C      D    21_B     3.722     0    0.590   0.724     5.828   39.762   35.595
LGA    Y    22_C      Y    22_B     3.304     0    0.117   0.114     4.927   50.119   39.087
LGA    C    23_C      C    23_B     1.766     0    0.078   0.225     2.160   75.119   77.302
LGA    A    24_C      A    24_B     1.215     0    0.031   0.039     1.436   81.429   81.429
LGA    I    25_C      I    25_B     0.938     0    0.041   0.088     1.756   90.476   84.881
LGA    L    26_C      L    26_B     0.497     0    0.044   0.115     0.709   95.238   92.857
LGA    S    27_C      S    27_B     0.330     0    0.043   0.614     2.067  100.000   94.127
LGA    F    28_C      F    28_B     0.537     0    0.064   0.070     0.648   92.857   92.208
LGA    A    29_C      A    29_B     0.664     0    0.021   0.024     0.844   90.476   90.476
LGA    S    30_C      S    30_B     0.616     0    0.585   0.813     3.118   75.952   74.048
LGA    D    31_C      D    31_B     3.028     0    0.217   0.875     7.417   36.548   48.988
LGA    S    32_C      S    32_B    10.112     0    0.673   0.635    14.440    2.500    1.667
LGA    Y    33_C      Y    33_B    12.441     0    0.553   1.430    13.584    0.000    0.000
LGA    E    34_C      E    34_B    13.556     0    0.034   0.975    19.202    0.000    0.000
LGA    V    35_C      V    35_B     8.427     0    0.339   1.102    10.237    9.762    6.667
LGA    P    36_C      P    36_B     3.401     0    0.335   0.345     6.622   49.524   39.456
LGA    E    37_C      E    37_B     1.781     0    0.047   0.739     4.918   77.381   59.048
LGA    Q    38_C      Q    38_B     0.767     0    0.046   0.940     2.851   83.690   81.852
LGA    Y    39_C      Y    39_B     1.540     0    0.084   1.239     6.889   75.000   54.603
LGA    F    40_C      F    40_B     1.322     0    0.084   1.256     4.800   85.952   68.788
LGA    I    41_C      I    41_B     0.671     0    0.044   0.151     0.982   90.476   91.667
LGA    I    42_C      I    42_B     1.069     0    0.074   0.199     1.428   85.952   83.690
LGA    T    43_C      T    43_B     1.218     0    0.046   1.226     2.908   79.286   75.510
LGA    R    44_C      R    44_B     1.830     0    0.670   1.138     6.573   56.786   51.948
LGA    S    45_C      S    45_B     4.567     0    0.269   0.673     5.836   37.500   33.810
LGA    T    46_C      T    46_B     7.160     0    0.042   1.139     9.145    8.214    7.347
LGA    T    47_C      T    47_B    10.690     0    0.129   1.134    13.378    0.357    0.204
LGA    E    48_C      E    48_B    13.645     0    0.578   0.578    15.325    0.000    0.000
LGA    R    49_C      R    49_B    14.092     0    0.064   1.162    15.908    0.000    0.563
LGA    S    50_C      S    50_B    18.533     0    0.109   0.232    22.011    0.000    0.000
LGA    G    51_C      G    51_B    21.527     0    0.127   0.127    21.527    0.000    0.000
LGA    G    52_C      G    52_B    21.803     0    0.675   0.675    22.370    0.000    0.000
LGA    I    53_C      I    53_B    17.701     0    0.031   0.166    21.524    0.000    0.000
LGA    P    54_C      P    54_B    12.204     0    0.039   0.063    16.693    0.119    0.068
LGA    E    55_C      E    55_B     5.246     0    0.658   1.108     7.599   33.452   37.989
LGA    G    56_C      G    56_B     3.435     0    0.676   0.676     3.435   50.000   50.000
LGA    D    57_C      D    57_B     2.442     0    0.039   0.175     3.389   64.881   61.071
LGA    I    58_C      I    58_B     2.183     0    0.108   1.044     3.280   62.857   62.976
LGA    Y    59_C      Y    59_B     1.786     0    0.070   0.230     2.557   72.857   68.214
LGA    L    60_C      L    60_B     1.347     0    0.029   1.337     2.980   79.286   74.167
LGA    E    61_C      E    61_B     1.216     0    0.056   0.146     2.398   81.429   74.921
LGA    S    62_C      S    62_B     1.131     0    0.079   0.165     1.769   79.286   80.000
LGA    N    63_C      N    63_B     0.934     0    0.009   0.270     1.317   90.476   89.345
LGA    L    64_C      L    64_B     1.057     0    0.618   0.602     4.103   75.833   63.155
LGA    F    65_C      F    65_B     2.986     0    0.219   0.984    10.750   57.976   24.892
LGA    L    66_C      L    66_B     1.763     0    0.334   1.293     6.714   77.381   51.548
LGA    D    67_C      D    67_B     3.173     0    0.363   1.264     7.719   51.905   37.083
LGA    F    68_C      F    68_B     2.920     0    0.662   1.510     4.403   59.048   53.074
LGA    N    69_C      N    69_B     2.824     0    0.219   0.934     5.217   61.190   49.583
LGA    P    70_C      P    70_B     2.498     0    0.609   0.646     4.035   59.881   57.755
LGA    Y    71_C      Y    71_B     2.442     0    0.645   1.216    11.331   62.857   28.056
LGA    G    72_C      G    72_B     4.946     0    0.694   0.694     4.946   43.810   43.810
LGA    L    73_C      L    73_B     3.214     0    0.063   1.310     4.377   45.119   42.738
LGA    S    74_C      S    74_B     2.556     0    0.061   0.094     2.641   59.048   60.952
LGA    G    75_C      G    75_B     2.202     0    0.082   0.082     2.351   68.810   68.810
LGA    Y    76_C      Y    76_B     1.227     0    0.009   0.080     1.938   77.143   80.833
LGA    L    77_C      L    77_B     1.552     0    0.084   1.397     5.359   79.286   61.310
LGA    L    78_C      L    78_B     1.926     0    0.086   0.907     3.237   65.119   63.155
LGA    S    79_C      S    79_B     2.008     0    0.157   0.588     3.328   68.810   65.000
LGA    E    80_C      E    80_B     1.767     0    0.054   1.171     5.486   65.000   59.577
LGA    P    81_C      P    81_B     1.744     0    0.145   0.469     5.623   61.429   48.367
LGA    N    82_C      N    82_B     3.564     0    0.266   0.769     6.635   45.119   34.821
LGA    C    83_C      C    83_B     1.393     0    0.080   0.764     2.590   79.286   75.952
LGA    V    84_C      V    84_B     1.140     0    0.033   0.053     1.631   85.952   82.789
LGA    D    85_C      D    85_B     0.547     0    0.013   0.975     3.744   90.476   79.167
LGA    L    86_C      L    86_B     1.010     0    0.033   0.147     1.214   83.690   82.560
LGA    L    87_C      L    87_B     1.383     0    0.118   0.174     2.057   75.119   79.405
LGA    I    88_C      I    88_B     1.903     0    0.561   1.038     4.240   65.476   63.690
LGA    E    89_C      E    89_B     1.144     0    0.132   0.903     3.032   79.286   70.529
LGA    P    90_C      P    90_B     1.206     0    0.641   0.657     2.718   77.262   71.973
LGA    N    91_C      N    91_B     3.479     0    0.238   0.182     5.913   45.476   36.607
LGA    N    92_C      N    92_B     2.417     0    0.463   1.142     4.795   59.405   53.393
LGA    Y    93_C      Y    93_B     1.214     0    0.085   1.339     9.352   77.143   45.754
LGA    V    94_C      V    94_B     1.199     0    0.060   0.135     2.048   85.952   81.633
LGA    R    95_C      R    95_B     0.916     0    0.022   0.268     3.169   90.476   74.372
LGA    L    96_C      L    96_B     0.720     0    0.195   0.241     1.874   83.810   89.524
LGA    R    97_C      R    97_B     0.819     0    0.085   1.054     8.609   90.476   56.840
LGA    L    98_C      L    98_B     0.698     0    0.050   1.160     3.459   90.476   83.155
LGA    I    99_C      I    99_B     1.077     0    0.349   1.688     6.814   81.786   62.560
LGA    E   100_C      E   100_B     1.050     0    0.169   0.658     2.239   77.143   76.772
LGA    K   101_C      K   101_B     1.026     0    0.417   0.353     4.998   77.262   67.143
LGA    I   102_C      I   102_B     0.781     0    0.603   0.922     3.069   80.357   82.024
LGA    D   103_C      D   103_B     1.356     0    0.456   1.083     4.136   79.524   65.179
LGA    I   104_C      I   104_B     3.531     0    0.682   0.534    10.969   55.833   31.905
LGA    L   105_C      L   105_B     2.664     0    0.024   0.118     4.276   61.190   52.321
LGA    E   106_C      E   106_B     2.317     0    0.022   0.603     2.612   68.810   65.767
LGA    V   107_C      V   107_B     1.358     0    0.046   0.913     2.574   81.548   75.646
LGA    E   108_C      E   108_B     1.323     0    0.050   1.012     3.846   81.429   73.439
LGA    N   109_C      N   109_B     1.614     0    0.032   0.139     2.822   77.143   71.012
LGA    H   110_C      H   110_B     0.866     0    0.085   1.114     2.444   88.214   82.667
LGA    L   111_C      L   111_B     0.800     0    0.017   0.059     0.958   90.476   91.667
LGA    K   112_C      K   112_B     1.206     0    0.101   0.790     6.130   79.286   62.910
LGA    F   113_C      F   113_B     1.245     0    0.041   0.088     1.661   81.429   79.870
LGA    L   114_C      L   114_B     1.007     0    0.070   1.373     3.787   81.429   72.679
LGA    F   115_C      F   115_B     1.845     0    0.079   0.961     4.029   72.976   66.450
LGA    D   116_C      D   116_B     1.378     0    0.080   0.692     3.030   83.690   73.512
LGA    N   117_C      N   117_B     1.505     0    0.631   1.153     7.028   60.714   44.167

# 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):     5.122          5.109                  5.422           63.771   57.604

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     97    1.88    68.750    64.101     4.892

LGA_LOCAL      RMSD:   1.883  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.603  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   5.122  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.580778 * X  +   0.346626 * Y  +  -0.736578 * Z  + -37.185879
  Y_new =   0.671634 * X  +  -0.307261 * Y  +  -0.674165 * Z  + -15.836104
  Z_new =  -0.460005 * X  +  -0.886251 * Y  +  -0.054355 * Z  +  20.530695 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.283777  0.478000 -1.632051   [DEG:  130.8508   27.3874  -93.5096 ]
ZXZ: -0.829611  1.625178 -2.662825   [DEG:  -47.5332   93.1159 -152.5686 ]
 
# END of job
