
#######################################################
#                                                     #
#                        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  116 (  919),  selected  116 , name one
# Molecule2: number of CA atoms  260 ( 2048),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116     189_B - 304_B       3.34     3.34
  LCS_AVERAGE:     44.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46     259_B - 304_B       1.95     3.54
  LCS_AVERAGE:     13.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27     225_B - 251_B       0.99     3.86
  LCS_AVERAGE:      6.33

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     K   189_A     K   189_B     21   23  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   190_A     L   190_B     21   23  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   191_A     V   191_B     21   23  116     13   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   192_A     G   192_B     21   23  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   193_A     L   193_B     21   23  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     W   194_A     W   194_B     21   23  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   195_A     I   195_B     21   23  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     C   196_A     C   196_B     21   23  116     20   33   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   197_A     N   197_B     21   23  116     20   33   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   198_A     T   198_B     21   23  116     13   33   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     S   199_A     S   199_B     21   23  116     13   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   200_A     Y   200_B     21   23  116     14   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   201_A     T   201_B     21   23  116     20   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   202_A     Y   202_B     21   23  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   203_A     G   203_B     21   23  116     16   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   204_A     V   204_B     21   23  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   205_A     I   205_B     21   23  116     14   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   206_A     T   206_B     21   23  116     14   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   207_A     Y   207_B     21   23  116     14   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   208_A     G   208_B     21   23  116     12   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   209_A     N   209_B     21   23  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Q   210_A     Q   210_B      4   23  116      3    4   15   45   69   90   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     F   211_A     F   211_B      4   23  116      3    4    5    7   10   22   44   72   77   90  102  106  108  110  111  112  114  114  115  116 
LCS_GDT     G   212_A     G   212_B      3   15  116      3    3    4    7   22   30   46   71   92  100  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     S   213_A     S   213_B      3    6  116      3    3    4    7   13   28   38   39   77   98  104  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   214_A     T   214_B      3    6  116      3    3    4    5   13   34   59   92  102  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   215_A     G   215_B      3    7  116      3    3    4   38   57   80   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   216_A     V   216_B      6   37  116      8   23   59   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     A   217_A     A   217_B      6   37  116      8   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   218_A     T   218_B      6   37  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     P   219_A     P   219_B      6   37  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   220_A     L   220_B      6   37  116     14   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     K   221_A     K   221_B      6   37  116      3    4   44   66   83   97   97  100  102  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     E   222_A     E   222_B      4   37  116      3    3   19   46   67   92   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     M   223_A     M   223_B      5   37  116      3    4    6    7   16   52   90   93  101  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     K   224_A     K   224_B      5   37  116      3    4    7   37   65   92   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   225_A     G   225_B     27   37  116      5   28   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   226_A     Y   226_B     27   37  116     11   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     F   227_A     F   227_B     27   37  116      9   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Q   228_A     Q   228_B     27   37  116      9   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   229_A     V   229_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   230_A     N   230_B     27   37  116     13   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   231_A     L   231_B     27   37  116     10   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     E   232_A     E   232_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     C   233_A     C   233_B     27   37  116      9   33   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   234_A     Y   234_B     27   37  116     11   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     D   235_A     D   235_B     27   37  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   236_A     V   236_B     27   37  116      8   28   60   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   237_A     N   237_B     27   37  116     14   33   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   238_A     G   238_B     27   37  116      3    3    4   27   64   92   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   239_A     G   239_B     27   37  116     14   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   240_A     L   240_B     27   37  116     11   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   241_A     I   241_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     R   242_A     R   242_B     27   37  116     11   32   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   243_A     T   243_B     27   37  116      8   26   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   244_A     Y   244_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     K   245_A     K   245_B     27   37  116      9   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     R   246_A     R   246_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   247_A     L   247_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   248_A     L   248_B     27   37  116     10   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     A   249_A     A   249_B     27   37  116     11   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     D   250_A     D   250_B     27   37  116     11   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   251_A     Y   251_B     27   37  116     11   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     R   252_A     R   252_B     14   37  116      3    5   29   50   73   91   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   253_A     N   253_B      4   36  116      3    8   21   45   60   79   93   99  101  103  105  107  108  110  111  112  114  114  115  116 
LCS_GDT     G   254_A     G   254_B      3    9  116      3    3    5    7    8   10   18   48   62   78   96  105  106  109  110  111  112  113  115  116 
LCS_GDT     Q   255_A     Q   255_B      4    9  116      3    4    4    5    8   11   16   26   39   51   68   87  100  107  110  110  112  113  115  116 
LCS_GDT     Q   256_A     Q   256_B      4    9  116      3    4    4    8   11   17   39   62   88   99  103  105  106  109  110  112  114  114  115  116 
LCS_GDT     Q   257_A     Q   257_B      4    7  116      3    4    6   12   31   58   78   94   99  102  104  106  108  109  111  112  114  114  115  116 
LCS_GDT     V   258_A     V   258_B      4    6  116      3    4    6    6   10   14   18   27   62   80  100  105  106  109  110  112  114  114  115  116 
LCS_GDT     D   259_A     D   259_B      4   46  116      3    7   15   23   38   62   81   97  101  102  105  106  108  109  111  112  114  114  115  116 
LCS_GDT     P   260_A     P   260_B     11   46  116      3   21   59   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   261_A     I   261_B     11   46  116     21   33   60   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   262_A     T   262_B     11   46  116     21   33   60   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   263_A     T   263_B     11   46  116     21   33   53   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     W   264_A     W   264_B     11   46  116     21   33   60   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     D   265_A     D   265_B     11   46  116     21   33   66   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   266_A     Y   266_B     11   46  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     W   267_A     W   267_B     11   46  116     21   36   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     E   268_A     E   268_B     11   46  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   269_A     I   269_B     11   46  116     21   34   59   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   270_A     N   270_B     11   46  116      4   33   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     A   271_A     A   271_B     13   46  116      4   11   31   74   91   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     E   272_A     E   272_B     13   46  116      4   11   37   74   91   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   273_A     G   273_B     13   46  116      4   13   54   81   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   274_A     V   274_B     13   46  116     13   26   54   83   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Q   275_A     Q   275_B     13   46  116      6   26   64   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     S   276_A     S   276_B     13   46  116      6   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     V   277_A     V   277_B     13   46  116      8   32   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     K   278_A     K   278_B     13   46  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     F   279_A     F   279_B     13   46  116      8   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   280_A     N   280_B     13   46  116      8   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     F   281_A     F   281_B     16   46  116      7   25   53   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     E   282_A     E   282_B     16   46  116      7   23   50   81   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   283_A     G   283_B     16   46  116      8   23   53   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     S   284_A     S   284_B     16   46  116      6   31   63   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     D   285_A     D   285_B     16   46  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     S   286_A     S   286_B     16   46  116      8   25   50   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   287_A     G   287_B     16   46  116      5   15   40   69   91   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     A   288_A     A   288_B     16   46  116      5   10   29   43   60   84   95  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   289_A     Y   289_B     16   46  116      5   23   47   82   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     G   290_A     G   290_B     16   46  116      5   15   39   75   91   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     L   291_A     L   291_B     16   46  116      9   31   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     N   292_A     N   292_B     16   46  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   293_A     T   293_B     16   46  116      9   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     P   294_A     P   294_B     16   46  116      8   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     A   295_A     A   295_B     16   46  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     Y   296_A     Y   296_B     16   46  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   297_A     I   297_B     15   46  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     C   298_A     C   298_B     15   46  116     21   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   299_A     I   299_B     15   46  116     20   37   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     D   300_A     D   300_B     15   46  116     21   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     D   301_A     D   301_B     15   46  116     20   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   302_A     I   302_B     15   46  116     14   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     T   303_A     T   303_B     15   46  116     20   34   68   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_GDT     I   304_A     I   304_B     15   46  116     20   34   64   84   92   97   97  100  103  104  105  108  108  110  111  112  114  114  115  116 
LCS_AVERAGE  LCS_A:  21.54  (   6.33   13.67   44.62 )

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     37     68     84     92     97     97    100    103    104    105    108    108    110    111    112    114    114    115    116 
GDT PERCENT_AT   8.08  14.23  26.15  32.31  35.38  37.31  37.31  38.46  39.62  40.00  40.38  41.54  41.54  42.31  42.69  43.08  43.85  43.85  44.23  44.62
GDT RMS_LOCAL    0.35   0.79   1.06   1.25   1.38   1.52   1.52   1.68   1.90   1.93   2.01   2.49   2.32   2.63   2.64   2.79   3.02   3.02   3.18   3.34
GDT RMS_ALL_AT   4.37   3.51   3.48   3.47   3.46   3.48   3.48   3.51   3.45   3.46   3.44   3.46   3.40   3.44   3.39   3.40   3.36   3.36   3.35   3.34

# Checking swapping
#   possible swapping detected:  Y   207_A      Y   207_B
#   possible swapping detected:  F   211_A      F   211_B
#   possible swapping detected:  E   222_A      E   222_B
#   possible swapping detected:  F   227_A      F   227_B
#   possible swapping detected:  E   232_A      E   232_B
#   possible swapping detected:  Y   234_A      Y   234_B
#   possible swapping detected:  Y   244_A      Y   244_B
#   possible swapping detected:  Y   251_A      Y   251_B
#   possible swapping detected:  D   259_A      D   259_B
#   possible swapping detected:  Y   266_A      Y   266_B
#   possible swapping detected:  E   268_A      E   268_B
#   possible swapping detected:  E   272_A      E   272_B
#   possible swapping detected:  F   279_A      F   279_B
#   possible swapping detected:  E   282_A      E   282_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K   189_A      K   189_B     1.871     0    0.131   0.641     3.276   72.857   66.772
LGA    L   190_A      L   190_B     1.490     0    0.076   1.249     3.746   79.286   68.452
LGA    V   191_A      V   191_B     1.421     0    0.032   0.180     1.843   81.429   78.980
LGA    G   192_A      G   192_B     1.182     0    0.045   0.045     1.291   81.429   81.429
LGA    L   193_A      L   193_B     0.841     0    0.033   0.290     1.295   85.952   84.821
LGA    W   194_A      W   194_B     0.521     0    0.033   0.237     1.291   90.476   89.864
LGA    I   195_A      I   195_B     0.641     0    0.032   1.123     2.672   90.476   79.881
LGA    C   196_A      C   196_B     1.054     0    0.048   0.732     2.266   83.690   80.159
LGA    N   197_A      N   197_B     1.144     0    0.053   0.150     1.410   81.429   81.429
LGA    T   198_A      T   198_B     0.998     0    0.063   1.162     2.222   88.214   81.837
LGA    S   199_A      S   199_B     0.881     0    0.022   0.822     3.093   90.476   82.222
LGA    Y   200_A      Y   200_B     0.753     0    0.064   1.031     7.184   90.476   63.730
LGA    T   201_A      T   201_B     0.819     0    0.029   0.111     1.139   90.476   89.184
LGA    Y   202_A      Y   202_B     0.825     0    0.027   0.213     0.906   90.476   91.270
LGA    G   203_A      G   203_B     0.872     0    0.042   0.042     0.926   90.476   90.476
LGA    V   204_A      V   204_B     0.811     0    0.025   1.151     3.070   90.476   82.109
LGA    I   205_A      I   205_B     0.850     0    0.055   0.124     1.221   90.476   88.214
LGA    T   206_A      T   206_B     0.573     0    0.141   1.120     3.280   92.857   83.537
LGA    Y   207_A      Y   207_B     0.840     0    0.137   0.484     3.257   88.214   71.508
LGA    G   208_A      G   208_B     0.425     0    0.122   0.122     0.951   92.857   92.857
LGA    N   209_A      N   209_B     1.018     0    0.151   0.966     2.871   71.548   77.679
LGA    Q   210_A      Q   210_B     5.527     0    0.131   1.312     7.619   30.833   20.952
LGA    F   211_A      F   211_B     8.257     0    0.622   1.075    13.536    4.881    1.775
LGA    G   212_A      G   212_B    10.313     0    0.504   0.504    10.313    2.262    2.262
LGA    S   213_A      S   213_B    10.905     0    0.596   0.901    15.211    1.548    1.032
LGA    T   214_A      T   214_B     8.100     0    0.147   0.251    11.838   11.190    6.463
LGA    G   215_A      G   215_B     5.931     0    0.603   0.603     6.479   34.643   34.643
LGA    V   216_A      V   216_B     1.928     0    0.595   0.752     5.990   73.214   52.449
LGA    A   217_A      A   217_B     0.987     0    0.141   0.192     1.388   88.214   88.667
LGA    T   218_A      T   218_B     0.787     0    0.084   0.178     1.343   90.476   87.891
LGA    P   219_A      P   219_B     0.472     0    0.117   0.326     1.101   95.238   93.265
LGA    L   220_A      L   220_B     0.754     0    0.665   1.145     3.507   79.881   73.810
LGA    K   221_A      K   221_B     3.247     0    0.595   0.806    12.180   61.071   30.159
LGA    E   222_A      E   222_B     4.505     0    0.065   1.040    12.289   31.190   16.085
LGA    M   223_A      M   223_B     6.509     0    0.659   0.953    10.716   30.238   15.476
LGA    K   224_A      K   224_B     4.164     0    0.041   0.994    12.445   50.238   27.831
LGA    G   225_A      G   225_B     1.814     0    0.169   0.169     2.540   68.929   68.929
LGA    Y   226_A      Y   226_B     1.557     0    0.054   0.288     1.707   77.143   81.627
LGA    F   227_A      F   227_B     1.478     0    0.046   0.511     2.515   81.429   76.970
LGA    Q   228_A      Q   228_B     1.123     0    0.113   1.093     3.161   79.286   73.228
LGA    V   229_A      V   229_B     0.776     0    0.054   1.020     2.613   90.476   83.197
LGA    N   230_A      N   230_B     0.162     0    0.030   0.603     1.515   95.238   91.905
LGA    L   231_A      L   231_B     0.784     0    0.118   1.002     3.248   88.214   77.857
LGA    E   232_A      E   232_B     0.915     0    0.046   0.528     2.447   85.952   81.587
LGA    C   233_A      C   233_B     1.432     0    0.063   0.091     1.523   81.429   78.571
LGA    Y   234_A      Y   234_B     1.524     0    0.101   0.308     2.051   79.286   77.183
LGA    D   235_A      D   235_B     1.029     0    0.049   1.171     3.390   79.286   73.214
LGA    V   236_A      V   236_B     2.193     0    0.203   0.304     3.328   63.095   61.769
LGA    N   237_A      N   237_B     1.699     0    0.105   1.136     3.508   65.119   66.369
LGA    G   238_A      G   238_B     4.716     0    0.271   0.271     5.149   39.524   39.524
LGA    G   239_A      G   239_B     1.279     0    0.197   0.197     1.535   79.286   79.286
LGA    L   240_A      L   240_B     1.530     0    0.084   1.254     4.946   79.286   67.917
LGA    I   241_A      I   241_B     0.791     0    0.039   0.711     2.958   85.952   84.048
LGA    R   242_A      R   242_B     1.069     0    0.145   1.119     6.842   81.429   59.524
LGA    T   243_A      T   243_B     1.561     0    0.122   1.009     3.162   75.000   68.571
LGA    Y   244_A      Y   244_B     0.661     0    0.092   0.242     3.642   90.476   74.484
LGA    K   245_A      K   245_B     1.223     0    0.035   1.724     7.208   90.595   65.132
LGA    R   246_A      R   246_B     1.054     0    0.143   0.805     4.648   83.690   67.749
LGA    L   247_A      L   247_B     1.275     0    0.024   0.249     1.854   81.429   80.357
LGA    L   248_A      L   248_B     1.155     0    0.022   0.064     1.432   83.690   82.560
LGA    A   249_A      A   249_B     0.954     0    0.044   0.053     1.714   81.548   83.333
LGA    D   250_A      D   250_B     1.690     0    0.141   0.306     2.976   75.000   67.024
LGA    Y   251_A      Y   251_B     1.812     0    0.385   0.340     2.509   68.810   76.111
LGA    R   252_A      R   252_B     4.765     0    0.582   1.468    10.354   42.262   18.312
LGA    N   253_A      N   253_B     6.615     0    0.159   0.966     9.762    8.452    9.405
LGA    G   254_A      G   254_B    12.044     0    0.206   0.206    14.466    0.119    0.119
LGA    Q   255_A      Q   255_B    12.870     0    0.242   1.301    19.470    0.357    0.159
LGA    Q   256_A      Q   256_B     9.625     0    0.261   1.396    12.366    0.476    0.317
LGA    Q   257_A      Q   257_B     8.255     0    0.060   1.455     8.319    5.357   11.746
LGA    V   258_A      V   258_B     9.299     0    0.084   0.855    13.610    4.643    2.653
LGA    D   259_A      D   259_B     6.125     0    0.340   1.450    10.046   22.619   12.440
LGA    P   260_A      P   260_B     1.847     0    0.565   0.727     3.148   75.119   67.619
LGA    I   261_A      I   261_B     1.844     0    0.132   1.369     3.219   79.405   68.393
LGA    T   262_A      T   262_B     1.922     0    0.262   1.186     3.381   70.833   68.503
LGA    T   263_A      T   263_B     2.024     0    0.050   1.053     4.339   70.833   66.871
LGA    W   264_A      W   264_B     1.577     0    0.040   0.248     2.277   75.000   75.408
LGA    D   265_A      D   265_B     1.283     0    0.140   0.769     2.409   88.333   81.726
LGA    Y   266_A      Y   266_B     0.926     0    0.061   0.439     1.673   85.952   87.619
LGA    W   267_A      W   267_B     1.023     0    0.090   1.353     5.623   85.952   67.755
LGA    E   268_A      E   268_B     1.486     0    0.027   0.925     5.159   77.143   64.392
LGA    I   269_A      I   269_B     1.930     0    0.485   1.066     3.781   63.452   59.464
LGA    N   270_A      N   270_B     1.502     0    0.097   1.411     4.764   75.000   65.893
LGA    A   271_A      A   271_B     3.152     0    0.613   0.600     6.185   42.262   45.238
LGA    E   272_A      E   272_B     3.303     0    0.209   1.104     7.161   55.357   39.947
LGA    G   273_A      G   273_B     2.683     0    0.041   0.041     2.940   62.976   62.976
LGA    V   274_A      V   274_B     2.248     0    0.046   0.158     2.423   64.762   64.762
LGA    Q   275_A      Q   275_B     1.977     0    0.106   0.131     2.928   68.810   67.513
LGA    S   276_A      S   276_B     1.574     0    0.076   0.223     1.764   77.143   75.714
LGA    V   277_A      V   277_B     1.215     0    0.058   0.087     1.848   81.429   77.755
LGA    K   278_A      K   278_B     0.820     0    0.077   0.834     1.813   90.476   84.550
LGA    F   279_A      F   279_B     1.143     0    0.125   0.165     2.335   77.262   72.251
LGA    N   280_A      N   280_B     1.348     0    0.104   0.770     4.007   88.333   70.655
LGA    F   281_A      F   281_B     2.198     0    0.059   1.394     5.598   64.762   55.498
LGA    E   282_A      E   282_B     2.500     0    0.041   0.785     3.021   62.857   59.735
LGA    G   283_A      G   283_B     2.158     0    0.048   0.048     2.274   68.810   68.810
LGA    S   284_A      S   284_B     1.818     0    0.179   0.192     2.225   75.000   71.587
LGA    D   285_A      D   285_B     0.798     0    0.056   1.115     4.266   83.690   78.274
LGA    S   286_A      S   286_B     1.906     0    0.236   0.229     2.235   70.833   68.810
LGA    G   287_A      G   287_B     2.847     0    0.062   0.062     3.458   55.476   55.476
LGA    A   288_A      A   288_B     4.125     0    0.145   0.140     4.645   40.238   38.476
LGA    Y   289_A      Y   289_B     2.461     0    0.333   0.250     2.900   60.952   60.952
LGA    G   290_A      G   290_B     2.770     0    0.145   0.145     2.770   64.881   64.881
LGA    L   291_A      L   291_B     1.436     0    0.065   0.825     3.852   79.286   69.405
LGA    N   292_A      N   292_B     0.566     0    0.119   0.973     3.050   90.476   84.286
LGA    T   293_A      T   293_B     1.295     0    0.109   0.145     2.069   81.429   76.599
LGA    P   294_A      P   294_B     0.830     0    0.072   0.189     1.042   92.857   90.544
LGA    A   295_A      A   295_B     1.322     0    0.452   0.418     2.289   81.429   78.095
LGA    Y   296_A      Y   296_B     1.656     0    0.060   0.264     2.637   72.857   70.913
LGA    I   297_A      I   297_B     1.323     0    0.061   1.291     4.161   79.286   66.964
LGA    C   298_A      C   298_B     0.669     0    0.039   0.064     0.703   90.476   90.476
LGA    I   299_A      I   299_B     0.722     0    0.061   1.094     2.529   90.476   79.881
LGA    D   300_A      D   300_B     1.222     0    0.026   0.628     2.275   85.952   80.536
LGA    D   301_A      D   301_B     1.416     0    0.082   0.432     1.480   81.429   83.690
LGA    I   302_A      I   302_B     1.563     0    0.108   0.179     2.065   70.833   73.988
LGA    T   303_A      T   303_B     1.544     0    0.046   0.153     1.852   75.000   77.755
LGA    I   304_A      I   304_B     2.022     0    0.651   1.406     3.975   70.833   67.202

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     919    919  100.00               260
SUMMARY(RMSD_GDC):     3.342          3.201                  3.954           31.000   28.655

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  260    4.0    100    1.68    32.019    29.483     5.629

LGA_LOCAL      RMSD:   1.676  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.514  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   3.342  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.877780 * X  +  -0.294505 * Y  +   0.377848 * Z  +  82.550652
  Y_new =  -0.287863 * X  +  -0.306203 * Y  +  -0.907400 * Z  +  37.513889
  Z_new =   0.382932 * X  +  -0.905266 * Y  +   0.184002 * Z  +  29.635687 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.824700 -0.392968 -1.370270   [DEG: -161.8434  -22.5154  -78.5107 ]
ZXZ:  0.394570  1.385740  2.741413   [DEG:   22.6072   79.3970  157.0714 ]
 
# END of job
