
#######################################################
#                                                     #
#                        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  118 (  925),  selected  118 , name one
# Molecule2: number of CA atoms  375 ( 3019),  selected  118 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38     166_B - 203_B       4.92    31.18
  LONGEST_CONTINUOUS_SEGMENT:    38     167_B - 204_B       4.99    31.42
  LCS_AVERAGE:      9.13

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22     142_B - 163_B       1.81    33.12
  LCS_AVERAGE:      4.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17     168_B - 184_B       0.82    32.25
  LONGEST_CONTINUOUS_SEGMENT:    17     169_B - 185_B       0.94    32.10
  LCS_AVERAGE:      2.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
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     V   142_B     V   142_B     13   22   30     11   12   16   17   18   22   22   22   23   26   29   32   34   37   38   41   41   47   51   58 
LCS_GDT     Q   143_B     Q   143_B     13   22   30     11   12   16   17   18   22   22   22   23   26   29   32   34   37   38   41   44   47   52   58 
LCS_GDT     A   144_B     A   144_B     13   22   30     11   12   16   17   18   22   22   22   23   26   29   32   34   37   38   41   44   51   55   58 
LCS_GDT     F   145_B     F   145_B     13   22   30     11   12   16   17   18   22   22   22   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     R   146_B     R   146_B     13   22   30     11   12   16   17   18   22   22   22   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     V   147_B     V   147_B     13   22   30     11   12   16   17   18   22   22   22   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     F   148_B     F   148_B     13   22   30     11   12   16   17   18   22   22   22   23   25   26   32   34   37   40   42   46   51   55   58 
LCS_GDT     L   149_B     L   149_B     13   22   30     11   12   16   17   18   22   22   22   23   25   26   28   34   37   40   42   46   51   55   58 
LCS_GDT     Q   150_B     Q   150_B     13   22   30     11   12   16   17   18   22   22   22   23   25   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     T   151_B     T   151_B     13   22   30     11   12   16   17   18   22   22   22   22   23   26   28   32   36   40   42   46   51   55   58 
LCS_GDT     L   152_B     L   152_B     13   22   30     11   12   16   17   18   22   22   22   22   23   24   28   32   36   40   42   46   51   55   58 
LCS_GDT     T   153_B     T   153_B     13   22   30      4   12   16   17   18   22   22   22   22   23   24   28   32   36   40   42   46   51   55   58 
LCS_GDT     G   154_B     G   154_B     13   22   30      3    8   16   17   18   22   22   22   23   25   29   32   34   37   40   42   45   50   55   58 
LCS_GDT     K   155_B     K   155_B     10   22   30      3    7   10   14   18   22   22   22   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     E   156_B     E   156_B     10   22   30      4   12   16   17   18   22   22   22   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     I   157_B     I   157_B     10   22   30      3    6   16   17   18   22   22   22   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     T   158_B     T   158_B     10   22   30      4    6   16   17   18   22   22   22   22   26   29   32   34   37   38   41   44   47   52   58 
LCS_GDT     D   159_B     D   159_B     10   22   30      4    6   13   17   18   22   22   22   22   26   29   32   34   37   38   41   41   43   46   53 
LCS_GDT     A   160_B     A   160_B      7   22   30      4    5   11   16   18   22   22   22   22   26   29   32   34   37   38   41   41   47   51   54 
LCS_GDT     M   161_B     M   161_B      7   22   30      4    5   11   12   17   22   22   22   22   26   29   32   34   37   38   41   44   50   55   58 
LCS_GDT     L   162_B     L   162_B      7   22   30      4    5   11   12   17   22   22   22   22   26   29   32   34   37   38   41   44   47   52   58 
LCS_GDT     S   163_B     S   163_B      6   22   30      4    5    6    6    8   22   22   22   22   23   24   26   26   29   32   36   38   41   44   48 
LCS_GDT     D   164_B     D   164_B      6    8   34      4    5    6    6    8    8   10   11   18   23   25   26   32   35   38   40   42   45   46   48 
LCS_GDT     A   165_B     A   165_B      6    8   37      4    5    6    6    8    9   11   18   23   26   29   32   34   37   38   41   44   47   52   58 
LCS_GDT     L   166_B     L   166_B      6    8   38      4    5    6    6    8   11   15   20   22   26   29   32   34   37   39   42   44   47   52   58 
LCS_GDT     A   167_B     A   167_B      6   19   38      3    4    6    6    9   15   20   26   30   32   34   36   38   41   42   42   43   45   46   49 
LCS_GDT     V   168_B     V   168_B     17   20   38      4   14   16   17   18   19   22   28   30   32   34   36   38   41   42   42   44   47   52   58 
LCS_GDT     C   169_B     C   169_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   44   47   52   58 
LCS_GDT     D   170_B     D   170_B     17   20   38      6   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   46   51   55   58 
LCS_GDT     E   171_B     E   171_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   46   51   55   58 
LCS_GDT     N   172_B     N   172_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   46   51   55   58 
LCS_GDT     R   173_B     R   173_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   46   51   55   58 
LCS_GDT     R   174_B     R   174_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   46   51   55   58 
LCS_GDT     L   175_B     L   175_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   43   51   55   58 
LCS_GDT     L   176_B     L   176_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   43   45   46   50 
LCS_GDT     R   177_B     R   177_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   43   45   46   50 
LCS_GDT     E   178_B     E   178_B     17   20   38     10   15   16   17   18   19   21   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     L   179_B     L   179_B     17   20   38     10   15   16   17   18   19   21   24   29   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     Y   180_B     Y   180_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     E   181_B     E   181_B     17   20   38     10   15   16   17   18   19   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     Y   182_B     Y   182_B     17   20   38     10   15   16   17   18   19   19   25   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     R   183_B     R   183_B     17   20   38     10   15   16   17   18   19   20   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     K   184_B     K   184_B     17   20   38      5   13   16   17   18   19   21   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     A   185_B     A   185_B     17   20   38      3    5   14   17   18   19   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     A   186_B     A   186_B      4   20   38      3    4    6    8   16   19   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     D   187_B     D   187_B      4   20   38      3    4    5    6    8   16   21   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     P   188_B     P   188_B      4    6   38      3    4    5    6    9   16   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     K   189_B     K   189_B      4    6   38      3    4    5    6    6   13   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     V   190_B     V   190_B      4    6   38      3    4    5    8   15   17   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     T   191_B     T   191_B      4    9   38      3    4    5    6    8    8   12   17   21   26   34   34   37   41   42   42   43   45   46   48 
LCS_GDT     G   192_B     G   192_B      8    9   38      8    8    8    8    9   17   21   23   29   32   34   34   37   41   42   42   43   45   46   48 
LCS_GDT     V   193_B     V   193_B      8    9   38      8    8    8    8    8    9   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     E   194_B     E   194_B      8    9   38      8    8    8    8    8   15   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     A   195_B     A   195_B      8    9   38      8    8    8    8    8    9   12   18   24   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     L   196_B     L   196_B      8    9   38      8    8    8    8    9   16   22   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     Y   197_B     Y   197_B      8    9   38      8    8    8    8    8    8   10   11   14   20   27   36   38   41   42   42   43   45   46   48 
LCS_GDT     A   198_B     A   198_B      8    9   38      8    8    8    8    8    8    9   11   14   15   17   19   26   33   38   40   43   44   46   48 
LCS_GDT     S   199_B     S   199_B      8    9   38      8    8    8    8    8    8   12   14   20   24   27   32   36   41   42   42   43   45   46   48 
LCS_GDT     L   200_B     L   200_B      3    9   38      3    3    4    6    9   15   21   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     T   201_B     T   201_B      3    4   38      0    3    4    5    7   15   21   28   30   32   34   36   38   41   42   42   43   45   46   48 
LCS_GDT     A   202_B     A   202_B      4    5   38      4    4    4    5    5    9   10   15   23   29   33   36   38   41   42   42   43   45   46   48 
LCS_GDT     Q   203_B     Q   203_B      4    5   38      4    4    4    5    7    9   14   17   19   23   25   30   31   34   35   36   42   44   45   48 
LCS_GDT     F   204_B     F   204_B      4    5   38      4    4    4    5    5   17   18   20   23   25   26   30   31   34   35   37   41   43   46   50 
LCS_GDT     I   205_B     I   205_B      4    6   32      4    4    4   10   11   17   19   20   23   25   27   33   36   38   42   42   43   45   46   50 
LCS_GDT     D   206_B     D   206_B      3    6   32      3    3    3    5    5    8   11   19   23   25   29   36   38   41   42   42   43   45   46   50 
LCS_GDT     K   207_B     K   207_B      6   19   32      4    5   12   14   17   19   19   20   23   25   33   36   38   41   42   42   43   45   46   50 
LCS_GDT     R   208_B     R   208_B      6   19   32      4    5   10   14   17   19   19   20   23   26   33   36   38   41   42   42   43   45   46   50 
LCS_GDT     E   209_B     E   209_B     13   19   32      4    5   10   14   17   19   22   28   30   32   34   36   38   41   42   42   45   51   55   58 
LCS_GDT     H   210_B     H   210_B     13   19   32     10   12   12   14   17   19   22   28   30   32   34   36   38   41   42   42   45   51   55   58 
LCS_GDT     N   211_B     N   211_B     13   19   32      9   12   12   14   17   19   19   20   24   29   33   34   38   41   42   42   44   49   55   58 
LCS_GDT     E   212_B     E   212_B     13   19   32      9   12   12   14   17   19   19   20   23   25   29   32   34   38   40   42   44   51   55   58 
LCS_GDT     M   213_B     M   213_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     L   214_B     L   214_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     K   215_B     K   215_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     K   216_B     K   216_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     T   217_B     T   217_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     L   218_B     L   218_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     A   219_B     A   219_B     13   19   32     10   12   12   14   17   19   19   20   23   26   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     A   220_B     A   220_B     13   19   32     10   12   12   14   17   19   19   20   23   25   29   32   34   37   40   42   46   51   55   58 
LCS_GDT     L   221_B     L   221_B     13   19   32     10   12   12   14   15   19   19   20   23   25   26   30   33   37   40   42   46   51   55   58 
LCS_GDT     P   222_B     P   222_B     13   19   32      4    5    6   14   15   19   19   20   23   24   25   28   32   36   40   42   46   51   55   58 
LCS_GDT     N   223_B     N   223_B      6   19   32      4    5    7   14   17   19   19   20   23   24   26   30   33   36   40   42   46   51   55   58 
LCS_GDT     R   224_B     R   224_B      6   19   32      3    5    6   14   17   19   19   20   23   25   26   30   33   36   40   42   46   51   55   58 
LCS_GDT     K   225_B     K   225_B      4   19   32      3    4    5    9   17   18   19   20   23   25   26   30   31   35   37   41   46   51   55   58 
LCS_GDT     V   226_B     V   226_B      4    5   34      3    4    6   10   12   18   19   20   22   25   26   30   33   35   40   42   46   51   55   58 
LCS_GDT     E   227_B     E   227_B      4    5   34      3    4    4    4    5    8   12   19   22   24   26   30   33   35   36   42   46   51   55   58 
LCS_GDT     R   228_B     R   228_B      4    5   34      3    4    4    4    5    7    8   11   15   19   24   24   28   32   33   38   41   48   55   58 
LCS_GDT     K   229_B     K   229_B      4   14   34      3    4    6   12   21   24   27   28   30   30   31   31   31   32   33   38   41   48   55   58 
LCS_GDT     T   230_B     T   230_B      4   14   34      3    4    6   16   22   24   27   28   30   30   31   31   33   35   36   42   46   51   55   58 
LCS_GDT     G   231_B     G   231_B     10   14   34     10   16   21   23   24   25   27   28   30   30   31   31   31   34   35   38   42   49   55   58 
LCS_GDT     A   232_B     A   232_B     10   14   34     10   16   21   23   24   25   27   28   30   30   31   31   31   32   36   42   46   51   55   58 
LCS_GDT     R   233_B     R   233_B     10   14   34     10   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     F   234_B     F   234_B     10   14   34     10   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     M   235_B     M   235_B     10   14   34     10   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     T   236_B     T   236_B     10   14   34      9   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     I   237_B     I   237_B     10   14   34      3   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     G   238_B     G   238_B     10   14   34      4   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     S   239_B     S   239_B     10   14   34      4   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     E   240_B     E   240_B     10   14   34      3   14   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     N   241_B     N   241_B      5   14   34      3    4    5    6   24   25   27   28   30   30   31   31   33   35   37   38   41   47   55   58 
LCS_GDT     D   242_B     D   242_B      4   18   34      3    3    5    5    7   11   22   28   30   30   31   31   33   35   40   42   46   51   55   58 
LCS_GDT     D   243_B     D   243_B     10   18   34      3    7   11   12   15   17   22   24   27   30   31   31   31   32   35   37   41   43   55   58 
LCS_GDT     I   244_B     I   244_B     10   18   34      3    7   12   20   22   25   26   28   30   30   31   31   31   32   35   37   40   43   45   48 
LCS_GDT     A   245_B     A   245_B     10   18   34      3    7   11   17   22   23   26   28   30   30   31   31   31   34   35   37   40   43   45   47 
LCS_GDT     F   246_B     F   246_B     12   18   34      6    8   15   21   24   25   27   28   30   30   31   31   31   34   35   37   40   43   45   50 
LCS_GDT     M   247_B     M   247_B     13   18   34      6    8   21   23   24   25   27   28   30   30   31   31   31   34   35   37   40   43   46   50 
LCS_GDT     G   248_B     G   248_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   31   34   35   36   38   43   45   46 
LCS_GDT     M   249_B     M   249_B     13   18   34      6   14   21   23   24   25   27   28   30   30   31   31   31   32   33   35   37   41   44   46 
LCS_GDT     V   250_B     V   250_B     13   18   34      4   16   21   23   24   25   27   28   30   30   31   31   31   32   35   37   40   43   45   50 
LCS_GDT     E   251_B     E   251_B     13   18   34      6    8   21   23   24   25   27   28   30   30   31   31   31   34   35   36   40   43   45   50 
LCS_GDT     S   252_B     S   252_B     13   18   34      6   15   21   23   24   25   27   28   30   30   31   31   31   32   33   34   34   36   37   40 
LCS_GDT     V   253_B     V   253_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   31   32   33   34   34   36   37   40 
LCS_GDT     G   254_B     G   254_B     13   18   34      3    7   19   23   24   25   27   28   30   30   31   31   31   32   33   34   34   36   37   42 
LCS_GDT     A   255_B     A   255_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   31   34   35   37   40   44   52   58 
LCS_GDT     T   256_B     T   256_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   33   35   36   42   46   51   55   58 
LCS_GDT     I   257_B     I   257_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   33   35   40   42   46   51   55   58 
LCS_GDT     V   258_B     V   258_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   33   36   40   42   46   51   55   58 
LCS_GDT     I   259_B     I   259_B     13   18   34     10   16   21   23   24   25   27   28   30   30   31   31   32   36   40   42   46   51   55   58 
LCS_AVERAGE  LCS_A:   5.44  (   2.80    4.40    9.13 )

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     11     16     21     23     24     25     27     28     30     32     34     36     38     41     42     42     46     51     55     58 
GDT PERCENT_AT   2.93   4.27   5.60   6.13   6.40   6.67   7.20   7.47   8.00   8.53   9.07   9.60  10.13  10.93  11.20  11.20  12.27  13.60  14.67  15.47
GDT RMS_LOCAL    0.26   0.61   0.82   0.95   1.10   1.21   1.61   1.82   2.13   3.32   3.50   3.99   4.18   4.45   4.55   4.55   6.42   6.74   6.95   7.09
GDT RMS_ALL_AT  33.63  29.52  29.17  29.42  29.48  29.36  29.45  29.96  29.72  31.01  30.98  31.46  31.45  31.49  31.46  31.46  18.33  18.34  18.35  19.13

# Checking swapping
#   possible swapping detected:  E   156_B      E   156_B
#   possible swapping detected:  E   171_B      E   171_B
#   possible swapping detected:  Y   182_B      Y   182_B
#   possible swapping detected:  D   187_B      D   187_B
#   possible swapping detected:  Y   197_B      Y   197_B
#   possible swapping detected:  F   204_B      F   204_B
#   possible swapping detected:  E   209_B      E   209_B
#   possible swapping detected:  E   240_B      E   240_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  D   243_B      D   243_B
#   possible swapping detected:  F   246_B      F   246_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V   142_B      V   142_B    27.483     0    0.253   0.248    30.395    0.000    0.000
LGA    Q   143_B      Q   143_B    29.382     0    0.019   0.281    33.673    0.000    0.000
LGA    A   144_B      A   144_B    26.001     0    0.067   0.079    27.009    0.000    0.000
LGA    F   145_B      F   145_B    25.971     0    0.027   0.971    27.381    0.000    0.000
LGA    R   146_B      R   146_B    29.758     0    0.035   1.174    36.948    0.000    0.000
LGA    V   147_B      V   147_B    28.715     0    0.032   0.088    29.587    0.000    0.000
LGA    F   148_B      F   148_B    25.547     0    0.024   1.598    26.521    0.000    0.000
LGA    L   149_B      L   149_B    28.124     0    0.040   0.096    29.406    0.000    0.000
LGA    Q   150_B      Q   150_B    30.659     0    0.062   1.054    34.364    0.000    0.000
LGA    T   151_B      T   151_B    27.743     0    0.053   0.135    28.573    0.000    0.000
LGA    L   152_B      L   152_B    25.812     0    0.055   1.401    27.280    0.000    0.000
LGA    T   153_B      T   153_B    30.260     0    0.082   0.105    32.883    0.000    0.000
LGA    G   154_B      G   154_B    33.296     0    0.050   0.050    36.610    0.000    0.000
LGA    K   155_B      K   155_B    36.346     0    0.109   0.324    40.047    0.000    0.000
LGA    E   156_B      E   156_B    37.987     0    0.072   1.195    40.930    0.000    0.000
LGA    I   157_B      I   157_B    35.838     0    0.225   1.372    36.916    0.000    0.000
LGA    T   158_B      T   158_B    39.084     0    0.083   1.067    42.686    0.000    0.000
LGA    D   159_B      D   159_B    38.668     0    0.082   0.196    39.172    0.000    0.000
LGA    A   160_B      A   160_B    40.777     0    0.063   0.099    42.035    0.000    0.000
LGA    M   161_B      M   161_B    40.306     0    0.198   0.838    40.876    0.000    0.000
LGA    L   162_B      L   162_B    37.449     0    0.613   0.608    38.452    0.000    0.000
LGA    S   163_B      S   163_B    40.698     0    0.034   0.602    42.777    0.000    0.000
LGA    D   164_B      D   164_B    36.576     0    0.022   1.312    38.029    0.000    0.000
LGA    A   165_B      A   165_B    33.290     0    0.146   0.146    34.517    0.000    0.000
LGA    L   166_B      L   166_B    36.984     0    0.327   1.368    41.187    0.000    0.000
LGA    A   167_B      A   167_B    36.836     0    0.604   0.570    36.836    0.000    0.000
LGA    V   168_B      V   168_B    35.874     0    0.558   0.704    37.277    0.000    0.000
LGA    C   169_B      C   169_B    35.731     0    0.060   0.695    37.153    0.000    0.000
LGA    D   170_B      D   170_B    34.378     0    0.108   0.174    36.730    0.000    0.000
LGA    E   171_B      E   171_B    31.631     0    0.038   1.121    32.593    0.000    0.000
LGA    N   172_B      N   172_B    31.482     0    0.014   1.097    32.584    0.000    0.000
LGA    R   173_B      R   173_B    33.437     0    0.021   0.417    41.109    0.000    0.000
LGA    R   174_B      R   174_B    32.501     0    0.066   1.515    33.341    0.000    0.000
LGA    L   175_B      L   175_B    30.434     0    0.059   1.200    34.360    0.000    0.000
LGA    L   176_B      L   176_B    31.382     0    0.056   0.068    32.594    0.000    0.000
LGA    R   177_B      R   177_B    34.271     0    0.107   1.272    40.106    0.000    0.000
LGA    E   178_B      E   178_B    32.920     0    0.034   1.278    33.694    0.000    0.000
LGA    L   179_B      L   179_B    31.863     0    0.029   0.411    33.957    0.000    0.000
LGA    Y   180_B      Y   180_B    35.114     0    0.042   0.647    37.720    0.000    0.000
LGA    E   181_B      E   181_B    38.116     0    0.037   1.252    39.908    0.000    0.000
LGA    Y   182_B      Y   182_B    37.609     0    0.089   1.133    39.832    0.000    0.000
LGA    R   183_B      R   183_B    39.410     0    0.050   0.904    42.563    0.000    0.000
LGA    K   184_B      K   184_B    44.482     0    0.079   0.732    48.080    0.000    0.000
LGA    A   185_B      A   185_B    47.563     0    0.568   0.572    48.424    0.000    0.000
LGA    A   186_B      A   186_B    49.492     0    0.027   0.028    50.381    0.000    0.000
LGA    D   187_B      D   187_B    45.331     0    0.109   1.297    47.189    0.000    0.000
LGA    P   188_B      P   188_B    42.131     0    0.627   0.544    44.599    0.000    0.000
LGA    K   189_B      K   189_B    40.464     0    0.013   0.691    49.411    0.000    0.000
LGA    V   190_B      V   190_B    35.189     0    0.606   0.992    37.374    0.000    0.000
LGA    T   191_B      T   191_B    30.160     0    0.655   0.604    31.891    0.000    0.000
LGA    G   192_B      G   192_B    31.653     0    0.361   0.361    31.653    0.000    0.000
LGA    V   193_B      V   193_B    29.922     0    0.030   0.918    31.206    0.000    0.000
LGA    E   194_B      E   194_B    34.032     0    0.000   0.185    37.674    0.000    0.000
LGA    A   195_B      A   195_B    35.226     0    0.087   0.101    35.319    0.000    0.000
LGA    L   196_B      L   196_B    31.502     0    0.024   0.085    32.394    0.000    0.000
LGA    Y   197_B      Y   197_B    32.433     0    0.039   1.319    35.205    0.000    0.000
LGA    A   198_B      A   198_B    37.585     0    0.306   0.313    39.255    0.000    0.000
LGA    S   199_B      S   199_B    37.417     0    0.271   0.602    38.604    0.000    0.000
LGA    L   200_B      L   200_B    35.025     0    0.622   0.889    37.530    0.000    0.000
LGA    T   201_B      T   201_B    31.531     0    0.642   0.579    34.538    0.000    0.000
LGA    A   202_B      A   202_B    34.183     0    0.646   0.590    36.279    0.000    0.000
LGA    Q   203_B      Q   203_B    36.686     0    0.207   0.743    39.384    0.000    0.000
LGA    F   204_B      F   204_B    33.522     0    0.453   1.228    34.149    0.000    0.000
LGA    I   205_B      I   205_B    33.250     0    0.682   0.797    36.454    0.000    0.000
LGA    D   206_B      D   206_B    40.307     0    0.629   1.165    44.578    0.000    0.000
LGA    K   207_B      K   207_B    43.601     0    0.639   0.997    44.729    0.000    0.000
LGA    R   208_B      R   208_B    47.849     0    0.038   1.570    58.464    0.000    0.000
LGA    E   209_B      E   209_B    42.952     0    0.144   1.375    46.101    0.000    0.000
LGA    H   210_B      H   210_B    37.065     0    0.108   0.911    39.433    0.000    0.000
LGA    N   211_B      N   211_B    40.018     0    0.085   0.815    44.312    0.000    0.000
LGA    E   212_B      E   212_B    43.186     0    0.029   1.242    49.839    0.000    0.000
LGA    M   213_B      M   213_B    38.708     0    0.056   1.086    40.302    0.000    0.000
LGA    L   214_B      L   214_B    34.563     0    0.050   0.149    36.115    0.000    0.000
LGA    K   215_B      K   215_B    38.368     0    0.027   0.508    45.361    0.000    0.000
LGA    K   216_B      K   216_B    39.512     0    0.022   0.919    42.672    0.000    0.000
LGA    T   217_B      T   217_B    33.830     0    0.040   0.098    35.873    0.000    0.000
LGA    L   218_B      L   218_B    32.739     0    0.110   0.302    34.005    0.000    0.000
LGA    A   219_B      A   219_B    37.257     0    0.040   0.055    39.470    0.000    0.000
LGA    A   220_B      A   220_B    35.712     0    0.099   0.115    36.060    0.000    0.000
LGA    L   221_B      L   221_B    30.410     0    0.095   0.222    32.380    0.000    0.000
LGA    P   222_B      P   222_B    28.162     0    0.047   0.363    31.059    0.000    0.000
LGA    N   223_B      N   223_B    28.528     0    0.259   0.340    34.075    0.000    0.000
LGA    R   224_B      R   224_B    27.250     0    0.633   0.687    31.566    0.000    0.000
LGA    K   225_B      K   225_B    22.197     0    0.566   0.814    28.672    0.000    0.000
LGA    V   226_B      V   226_B    15.760     0    0.076   1.103    18.271    0.000    0.000
LGA    E   227_B      E   227_B    14.904     0    0.651   1.077    21.759    0.000    0.000
LGA    R   228_B      R   228_B    11.528     0    0.533   1.242    19.342    1.905    0.693
LGA    K   229_B      K   229_B     4.740     0    0.677   0.828     7.124   28.929   34.339
LGA    T   230_B      T   230_B     3.773     0    0.626   0.574     5.005   39.167   40.068
LGA    G   231_B      G   231_B     0.350     0    0.176   0.176     0.743   97.619   97.619
LGA    A   232_B      A   232_B     0.397     0    0.031   0.065     0.648   97.619   96.190
LGA    R   233_B      R   233_B     0.728     0    0.120   1.337     4.033   90.476   79.351
LGA    F   234_B      F   234_B     0.416     0    0.044   0.708     1.955  100.000   91.688
LGA    M   235_B      M   235_B     0.376     0    0.029   0.691     2.856   97.619   83.690
LGA    T   236_B      T   236_B     0.582     0    0.053   0.110     0.619   90.476   93.197
LGA    I   237_B      I   237_B     1.143     0    0.028   1.169     5.488   88.214   71.429
LGA    G   238_B      G   238_B     1.280     0    0.044   0.044     1.444   81.429   81.429
LGA    S   239_B      S   239_B     1.759     0    0.056   0.660     1.993   72.857   74.286
LGA    E   240_B      E   240_B     1.976     0    0.215   1.242     6.854   61.548   46.032
LGA    N   241_B      N   241_B     3.227     0    0.526   0.625     9.737   61.071   34.226
LGA    D   242_B      D   242_B     4.947     0    0.241   1.042     8.161   32.024   19.286
LGA    D   243_B      D   243_B     6.503     0    0.567   1.323    11.876   21.905   11.845
LGA    I   244_B      I   244_B     3.987     0    0.027   0.187     4.863   42.024   40.476
LGA    A   245_B      A   245_B     4.462     0    0.030   0.034     5.492   43.929   40.381
LGA    F   246_B      F   246_B     2.551     0    0.192   1.162     3.339   63.214   62.381
LGA    M   247_B      M   247_B     1.490     0    0.060   0.839     5.831   81.548   63.631
LGA    G   248_B      G   248_B     0.558     0    0.024   0.024     0.900   90.476   90.476
LGA    M   249_B      M   249_B     1.190     0    0.034   0.669     2.207   88.214   80.595
LGA    V   250_B      V   250_B     1.131     0    0.020   0.104     1.839   83.690   79.048
LGA    E   251_B      E   251_B     1.466     0    0.203   0.298     3.310   81.548   68.095
LGA    S   252_B      S   252_B     1.350     0    0.039   0.669     1.597   81.429   78.571
LGA    V   253_B      V   253_B     0.319     0    0.090   0.154     1.229   90.595   90.612
LGA    G   254_B      G   254_B     1.919     0    0.179   0.179     3.007   69.286   69.286
LGA    A   255_B      A   255_B     0.727     0    0.051   0.074     0.876   90.476   90.476
LGA    T   256_B      T   256_B     0.221     0    0.032   0.110     0.717  100.000   98.639
LGA    I   257_B      I   257_B     0.517     0    0.090   0.631     1.955   92.857   88.333
LGA    V   258_B      V   258_B     0.309     0    0.020   0.037     0.491  100.000  100.000
LGA    I   259_B      I   259_B     0.652     0    0.084   0.932     2.847   92.857   84.107

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     925    925  100.00               375
SUMMARY(RMSD_GDC):    16.097         16.060                 16.430            6.280    5.815

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  118  375    4.0     28    1.82     7.267     6.760     1.459

LGA_LOCAL      RMSD:   1.820  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.964  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:  16.097  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.345571 * X  +   0.936364 * Y  +  -0.061673 * Z  + -163.365906
  Y_new =   0.539640 * X  +  -0.252065 * Y  +  -0.803276 * Z  + -19.129118
  Z_new =  -0.767704 * X  +   0.244308 * Y  +  -0.592406 * Z  +  81.176117 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.001219  0.875250  2.750443   [DEG:   57.3656   50.1481  157.5888 ]
ZXZ: -0.076626  2.204838 -1.262698   [DEG:   -4.3903  126.3279  -72.3473 ]
 
# END of job
