
#######################################################
#                                                     #
#                        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  129 ( 1007),  selected  129 , name one
# Molecule2: number of CA atoms  395 ( 2954),  selected  129 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   129     109_A - 237_A       2.06     2.06
  LCS_AVERAGE:     32.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92     146_A - 237_A       1.95     2.08
  LCS_AVERAGE:     19.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     112_A - 142_A       0.84     2.30
  LONGEST_CONTINUOUS_SEGMENT:    31     113_A - 143_A       0.99     2.29
  LCS_AVERAGE:      5.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  129
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     L   109_A     L   109_A      3   36  129      8   34   74   98  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   110_A     L   110_A      4   36  129      3   41   93  100  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   111_A     S   111_A      4   36  129      3    3   65   96  108  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     E   112_A     E   112_A     31   36  129      6   21   84  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   113_A     P   113_A     31   36  129     22   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Y   114_A     Y   114_A     31   36  129     31   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     F   115_A     F   115_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     W   116_A     W   116_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   117_A     S   117_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   118_A     L   118_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   119_A     P   119_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   120_A     A   120_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   121_A     S   121_A     31   36  129     34   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     F   122_A     F   122_A     31   36  129     25   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   123_A     R   123_A     31   36  129     28   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   124_A     G   124_A     31   36  129     34   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     D   125_A     D   125_A     31   36  129      8   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     K   126_A     K   126_A     31   36  129     18   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   127_A     V   127_A     31   36  129     22   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     T   128_A     T   128_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   129_A     S   129_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Y   130_A     Y   130_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   131_A     G   131_A     31   36  129      3   38   85  101  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   132_A     G   132_A     31   36  129      7   56   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     E   133_A     E   133_A     31   36  129     13   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   134_A     L   134_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   135_A     R   135_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     F   136_A     F   136_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     T   137_A     T   137_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   138_A     V   138_A     31   36  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     M   139_A     M   139_A     31   36  129     33   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   140_A     Q   140_A     31   36  129     15   71   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   141_A     R   141_A     31   36  129     15   70   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   142_A     P   142_A     31   36  129     15   62   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   143_A     R   143_A     31   36  129      4   13   45   86  106  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   144_A     P   144_A      4   36  129      4    4    7   24   62   91  121  124  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   145_A     S   145_A      4   34  129      3    3    5    5    8    9   17   22   30   54   89  127  129  129  129  129  129  129  129  129 
LCS_GDT     S   146_A     S   146_A      4   92  129      3    3    5    6   20   51   74  115  123  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   147_A     A   147_A      4   92  129      3    3   22   84  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   148_A     P   148_A      4   92  129      3   12   29   65   97  112  121  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   149_A     L   149_A     11   92  129     11   61   94  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     H   150_A     H   150_A     11   92  129      3   20   88  100  108  115  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   151_A     R   151_A     11   92  129     17   69   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   152_A     Q   152_A     11   92  129     17   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   153_A     P   153_A     11   92  129     18   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   154_A     L   154_A     11   92  129     17   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   155_A     V   155_A     11   92  129     34   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   156_A     V   156_A     11   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   157_A     L   157_A     11   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   158_A     Q   158_A     11   92  129     34   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   159_A     G   159_A     11   92  129     34   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     N   160_A     N   160_A     10   92  129      4   43   84  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     N   161_A     N   161_A      6   92  129      4    5   27   87  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     I   162_A     I   162_A      8   92  129      4    7   42   95  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   163_A     V   163_A      8   92  129      4    7   19   33   87  114  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   164_A     L   164_A      8   92  129      3    7   35   63  100  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     E   165_A     E   165_A      8   92  129      3    7   12   59  107  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     H   166_A     H   166_A      8   92  129      4    7   24   60  107  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     H   167_A     H   167_A      8   92  129      4    7   22   46  108  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   168_A     A   168_A      8   92  129      4    7   21   63  107  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   169_A     S   169_A     19   92  129      4    7   23   43   93  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   170_A     R   170_A     24   92  129      9   61   95  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     D   171_A     D   171_A     24   92  129     21   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   172_A     P   172_A     24   92  129     30   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   173_A     S   173_A     24   92  129     27   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   174_A     P   174_A     24   92  129     33   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   175_A     G   175_A     24   92  129     20   75   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   176_A     Q   176_A     24   92  129     13   75   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   177_A     P   177_A     24   92  129     33   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   178_A     S   178_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     N   179_A     N   179_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     F   180_A     F   180_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     I   181_A     I   181_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   182_A     V   182_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   183_A     P   183_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     F   184_A     F   184_A     24   92  129     29   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   185_A     Q   185_A     24   92  129     22   75   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     E   186_A     E   186_A     24   92  129     26   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   187_A     Q   187_A     24   92  129      9   75   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   188_A     A   188_A     30   92  129      4   63   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     W   189_A     W   189_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   190_A     Q   190_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   191_A     R   191_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   192_A     P   192_A     30   92  129     18   75   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     D   193_A     D   193_A     30   92  129      6   32   80  102  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   194_A     G   194_A     30   92  129      6   23   70  102  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   195_A     Q   195_A     30   92  129      6   30   83  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   196_A     P   196_A     30   92  129      6   10   70  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   197_A     A   197_A     30   92  129      6   70   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     T   198_A     T   198_A     30   92  129     25   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   199_A     R   199_A     30   92  129     29   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     E   200_A     E   200_A     30   92  129     15   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     H   201_A     H   201_A     30   92  129     15   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   202_A     L   202_A     30   92  129     15   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   203_A     L   203_A     30   92  129     15   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     M   204_A     M   204_A     30   92  129     25   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   205_A     A   205_A     30   92  129     25   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   206_A     L   206_A     30   92  129     15   72   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   207_A     A   207_A     30   92  129     11   66   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   208_A     G   208_A     30   92  129     22   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     I   209_A     I   209_A     30   92  129     22   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     D   210_A     D   210_A     30   92  129     22   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   211_A     A   211_A     30   92  129     15   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   212_A     L   212_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   213_A     L   213_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     I   214_A     I   214_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   215_A     Q   215_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   216_A     A   216_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   217_A     S   217_A     30   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Y   218_A     Y   218_A     25   92  129      3   61   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     T   219_A     T   219_A     24   92  129      3   29   83  100  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   220_A     Q   220_A     24   92  129      3    5   33   56  100  106  116  124  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     Q   221_A     Q   221_A     24   92  129     10   38   80  100  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   222_A     P   222_A     24   92  129     11   61   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   223_A     A   223_A     24   92  129     15   72   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     E   224_A     E   224_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   225_A     S   225_A     24   92  129     33   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     R   226_A     R   226_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     L   227_A     L   227_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   228_A     S   228_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     G   229_A     G   229_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     I   230_A     I   230_A     24   92  129     35   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     S   231_A     S   231_A     24   92  129     18   77   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     M   232_A     M   232_A     24   92  129     36   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     D   233_A     D   233_A     24   92  129     34   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   234_A     V   234_A     24   92  129     23   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     A   235_A     A   235_A     24   92  129     14   78   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     V   236_A     V   236_A     21   92  129     13   70   97  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_GDT     P   237_A     P   237_A     19   92  129     12   67   95  103  109  116  122  125  126  127  128  128  129  129  129  129  129  129  129  129 
LCS_AVERAGE  LCS_A:  19.28  (   5.97   19.22   32.66 )

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     36     78     97    103    109    116    122    125    126    127    128    128    129    129    129    129    129    129    129    129 
GDT PERCENT_AT   9.11  19.75  24.56  26.08  27.59  29.37  30.89  31.65  31.90  32.15  32.41  32.41  32.66  32.66  32.66  32.66  32.66  32.66  32.66  32.66
GDT RMS_LOCAL    0.33   0.61   0.81   0.97   1.17   1.44   1.58   1.69   1.73   1.80   1.91   1.91   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06
GDT RMS_ALL_AT   2.19   2.18   2.16   2.15   2.11   2.16   2.11   2.09   2.08   2.07   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06

# Checking swapping
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  F   115_A      F   115_A
#   possible swapping detected:  Y   130_A      Y   130_A
#   possible swapping detected:  F   184_A      F   184_A
#   possible swapping detected:  D   193_A      D   193_A
#   possible swapping detected:  D   210_A      D   210_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L   109_A      L   109_A     3.203     0    0.694   1.520     8.562   55.476   37.976
LGA    L   110_A      L   110_A     2.575     0    0.671   0.615     6.874   59.643   41.726
LGA    S   111_A      S   111_A     3.769     0    0.339   0.646     7.330   49.405   37.460
LGA    E   112_A      E   112_A     2.165     0    0.054   0.781    10.113   73.452   39.206
LGA    P   113_A      P   113_A     1.014     0    0.052   0.349     1.369   88.214   87.891
LGA    Y   114_A      Y   114_A     0.784     0    0.030   0.214     3.867   90.476   72.540
LGA    F   115_A      F   115_A     0.553     0    0.026   0.102     0.978   90.476   90.476
LGA    W   116_A      W   116_A     0.583     0    0.013   0.045     0.871   95.238   93.878
LGA    S   117_A      S   117_A     0.598     0    0.014   0.054     0.739   90.476   90.476
LGA    L   118_A      L   118_A     0.572     0    0.028   0.167     0.905   95.238   92.857
LGA    P   119_A      P   119_A     0.362     0    0.027   0.046     0.970   95.238   97.279
LGA    A   120_A      A   120_A     1.077     0    0.095   0.094     1.416   83.690   83.238
LGA    S   121_A      S   121_A     1.127     0    0.030   0.056     1.163   81.429   82.937
LGA    F   122_A      F   122_A     0.952     0    0.062   0.111     1.074   88.214   83.896
LGA    R   123_A      R   123_A     0.936     0    0.089   1.222     3.626   90.476   77.403
LGA    G   124_A      G   124_A     0.895     0    0.061   0.061     0.982   90.476   90.476
LGA    D   125_A      D   125_A     0.798     0    0.070   0.176     0.999   90.476   90.476
LGA    K   126_A      K   126_A     0.522     0    0.062   0.341     2.041   95.238   87.778
LGA    V   127_A      V   127_A     0.504     0    0.055   1.108     2.751   97.619   87.279
LGA    T   128_A      T   128_A     0.393     0    0.072   0.081     0.410  100.000  100.000
LGA    S   129_A      S   129_A     0.455     0    0.050   0.094     0.672   95.238   95.238
LGA    Y   130_A      Y   130_A     0.617     0    0.639   0.700     2.184   84.048   88.333
LGA    G   131_A      G   131_A     2.471     0    0.232   0.232     2.471   77.738   77.738
LGA    G   132_A      G   132_A     1.326     0    0.036   0.036     2.691   77.619   77.619
LGA    E   133_A      E   133_A     1.294     0    0.388   0.437     2.874   85.952   74.233
LGA    L   134_A      L   134_A     0.219     0    0.020   0.105     0.863   95.238   95.238
LGA    R   135_A      R   135_A     0.777     0    0.022   1.370     8.122   90.476   55.455
LGA    F   136_A      F   136_A     0.719     0    0.017   0.047     0.751   90.476   93.074
LGA    T   137_A      T   137_A     0.652     0    0.062   0.156     0.994   90.476   90.476
LGA    V   138_A      V   138_A     0.556     0    0.040   1.025     2.696   90.476   83.197
LGA    M   139_A      M   139_A     0.892     0    0.014   0.708     3.456   85.952   78.810
LGA    Q   140_A      Q   140_A     1.537     0    0.044   1.202     4.378   75.000   67.302
LGA    R   141_A      R   141_A     1.700     0    0.034   0.979     6.332   72.857   55.628
LGA    P   142_A      P   142_A     2.063     0    0.084   0.133     2.755   62.976   68.435
LGA    R   143_A      R   143_A     4.009     0    0.492   1.404    10.885   38.929   19.524
LGA    P   144_A      P   144_A     5.979     0    0.540   0.900     8.092   21.548   15.918
LGA    S   145_A      S   145_A     9.467     0    0.232   0.355    13.252    1.905    1.270
LGA    S   146_A      S   146_A     7.642     0    0.195   0.581     9.093   22.619   15.794
LGA    A   147_A      A   147_A     3.387     0    0.181   0.198     5.526   38.214   38.000
LGA    P   148_A      P   148_A     4.631     0    0.681   0.722     6.513   42.024   35.170
LGA    L   149_A      L   149_A     1.636     0    0.626   0.526     2.761   67.143   66.964
LGA    H   150_A      H   150_A     2.667     0    0.647   1.187     4.177   60.119   57.857
LGA    R   151_A      R   151_A     1.363     0    0.178   1.461     3.034   85.952   71.905
LGA    Q   152_A      Q   152_A     0.862     0    0.027   1.410     6.141   88.214   67.989
LGA    P   153_A      P   153_A     0.770     0    0.018   0.031     0.785   92.857   91.837
LGA    L   154_A      L   154_A     0.706     0    0.013   0.113     0.830   90.476   94.048
LGA    V   155_A      V   155_A     0.744     0    0.053   1.242     2.951   90.476   81.905
LGA    V   156_A      V   156_A     0.503     0    0.044   0.048     0.554   92.857   93.197
LGA    L   157_A      L   157_A     0.533     0    0.059   0.766     1.916   92.857   89.524
LGA    Q   158_A      Q   158_A     0.928     0    0.135   0.915     2.912   88.214   76.243
LGA    G   159_A      G   159_A     0.855     0    0.076   0.076     1.990   86.071   86.071
LGA    N   160_A      N   160_A     2.096     0    0.276   0.751     4.632   63.333   55.238
LGA    N   161_A      N   161_A     3.389     0    0.027   0.049     4.703   50.476   43.095
LGA    I   162_A      I   162_A     2.967     0    0.248   0.883     4.002   50.357   52.024
LGA    V   163_A      V   163_A     3.687     0    0.190   1.207     8.121   45.119   32.653
LGA    L   164_A      L   164_A     3.744     0    0.085   0.212     9.934   42.024   25.595
LGA    E   165_A      E   165_A     3.535     0    0.047   0.295    10.403   45.119   24.656
LGA    H   166_A      H   166_A     3.584     0    0.097   0.791     9.479   45.119   23.762
LGA    H   167_A      H   167_A     3.369     0    0.024   1.251     9.228   46.786   25.524
LGA    A   168_A      A   168_A     3.768     0    0.041   0.046     5.721   50.119   44.381
LGA    S   169_A      S   169_A     3.560     0    0.669   0.830     5.356   42.024   38.571
LGA    R   170_A      R   170_A     1.325     0    0.022   0.925     7.059   83.810   60.130
LGA    D   171_A      D   171_A     0.670     0    0.054   0.292     2.009   95.238   87.381
LGA    P   172_A      P   172_A     0.261     0    0.021   0.246     0.582   97.619   95.918
LGA    S   173_A      S   173_A     0.790     0    0.021   0.488     2.240   92.857   86.270
LGA    P   174_A      P   174_A     0.740     0    0.060   0.371     1.720   90.476   86.667
LGA    G   175_A      G   175_A     1.062     0    0.174   0.174     1.062   88.214   88.214
LGA    Q   176_A      Q   176_A     0.945     0    0.086   1.033     4.564   88.214   74.497
LGA    P   177_A      P   177_A     0.934     0    0.074   0.106     1.275   85.952   85.306
LGA    S   178_A      S   178_A     1.008     0    0.092   0.139     1.590   88.214   84.524
LGA    N   179_A      N   179_A     0.844     0    0.069   1.269     3.888   90.476   77.083
LGA    F   180_A      F   180_A     0.731     0    0.067   0.170     0.928   90.476   90.476
LGA    I   181_A      I   181_A     1.155     0    0.051   0.116     3.015   81.429   73.274
LGA    V   182_A      V   182_A     0.751     0    0.055   0.067     0.868   90.476   91.837
LGA    P   183_A      P   183_A     0.950     0    0.023   0.176     1.013   88.214   90.544
LGA    F   184_A      F   184_A     1.156     0    0.140   1.138     3.323   85.952   78.918
LGA    Q   185_A      Q   185_A     0.910     0    0.060   0.738     3.329   90.476   75.661
LGA    E   186_A      E   186_A     0.610     0    0.044   0.284     1.193   90.476   89.471
LGA    Q   187_A      Q   187_A     1.085     0    0.025   1.261     6.859   81.548   57.460
LGA    A   188_A      A   188_A     1.480     0    0.129   0.149     2.325   79.524   78.190
LGA    W   189_A      W   189_A     0.974     0    0.066   0.134     1.205   85.952   90.544
LGA    Q   190_A      Q   190_A     1.022     0    0.046   1.203     3.938   85.952   76.402
LGA    R   191_A      R   191_A     0.949     0    0.100   1.158     5.334   88.214   70.130
LGA    P   192_A      P   192_A     0.854     0    0.075   0.397     2.032   81.786   80.408
LGA    D   193_A      D   193_A     2.617     0    0.027   0.920     5.850   59.286   45.179
LGA    G   194_A      G   194_A     2.488     0    0.054   0.054     3.224   59.167   59.167
LGA    Q   195_A      Q   195_A     2.168     0    0.091   0.446     4.098   70.952   58.042
LGA    P   196_A      P   196_A     2.257     0    0.027   0.142     3.375   73.095   63.197
LGA    A   197_A      A   197_A     1.400     0    0.033   0.052     1.920   77.143   76.286
LGA    T   198_A      T   198_A     1.188     0    0.051   0.098     1.586   81.429   80.204
LGA    R   199_A      R   199_A     1.182     0    0.063   1.203     5.462   81.429   66.104
LGA    E   200_A      E   200_A     1.463     0    0.049   0.755     1.771   81.429   81.534
LGA    H   201_A      H   201_A     1.264     0    0.022   0.116     2.115   81.429   76.333
LGA    L   202_A      L   202_A     1.012     0    0.034   1.156     2.781   85.952   81.845
LGA    L   203_A      L   203_A     1.054     0    0.029   0.171     1.646   83.690   82.619
LGA    M   204_A      M   204_A     1.166     0    0.019   0.801     3.067   81.429   73.393
LGA    A   205_A      A   205_A     1.053     0    0.016   0.028     1.066   81.429   81.429
LGA    L   206_A      L   206_A     1.158     0    0.029   0.299     1.351   81.429   82.560
LGA    A   207_A      A   207_A     1.476     0    0.103   0.122     1.520   81.429   79.714
LGA    G   208_A      G   208_A     1.152     0    0.255   0.255     1.877   79.286   79.286
LGA    I   209_A      I   209_A     1.094     0    0.048   0.107     1.141   81.429   82.560
LGA    D   210_A      D   210_A     1.189     0    0.094   0.890     2.854   81.429   77.321
LGA    A   211_A      A   211_A     0.730     0    0.028   0.045     0.804   90.476   90.476
LGA    L   212_A      L   212_A     0.450     0    0.061   0.140     1.719   97.619   89.583
LGA    L   213_A      L   213_A     0.225     0    0.032   0.184     0.651  100.000   98.810
LGA    I   214_A      I   214_A     0.297     0    0.035   0.101     0.386  100.000  100.000
LGA    Q   215_A      Q   215_A     0.448     0    0.051   1.160     4.349   97.619   81.640
LGA    A   216_A      A   216_A     0.436     0    0.024   0.032     0.559  100.000   98.095
LGA    S   217_A      S   217_A     0.484     0    0.597   0.758     2.941   89.286   84.127
LGA    Y   218_A      Y   218_A     1.844     0    0.596   0.541     3.777   63.452   77.738
LGA    T   219_A      T   219_A     3.186     0    0.162   0.216     3.860   48.452   50.136
LGA    Q   220_A      Q   220_A     4.859     0    0.637   0.968     8.788   26.190   20.635
LGA    Q   221_A      Q   221_A     2.939     0    0.109   0.897     6.600   59.048   46.455
LGA    P   222_A      P   222_A     1.991     0    0.086   0.173     2.361   72.976   70.612
LGA    A   223_A      A   223_A     1.398     0    0.099   0.111     1.581   81.548   79.810
LGA    E   224_A      E   224_A     0.743     0    0.096   1.315     6.292   85.952   60.794
LGA    S   225_A      S   225_A     0.697     0    0.026   0.080     0.942   95.238   93.651
LGA    R   226_A      R   226_A     0.601     0    0.021   0.926     2.577   90.476   78.745
LGA    L   227_A      L   227_A     0.527     0    0.031   0.091     1.152   90.476   89.345
LGA    S   228_A      S   228_A     0.790     0    0.016   0.076     0.964   90.476   90.476
LGA    G   229_A      G   229_A     0.968     0    0.085   0.085     1.023   88.214   88.214
LGA    I   230_A      I   230_A     1.065     0    0.043   0.175     1.361   81.429   82.560
LGA    S   231_A      S   231_A     1.422     0    0.154   0.624     1.936   81.429   78.571
LGA    M   232_A      M   232_A     0.114     0    0.097   0.643     2.067   97.619   89.702
LGA    D   233_A      D   233_A     0.565     0    0.030   0.279     1.851   92.857   87.202
LGA    V   234_A      V   234_A     0.561     0    0.049   0.115     0.650   90.476   91.837
LGA    A   235_A      A   235_A     0.779     0    0.023   0.032     0.867   90.476   90.476
LGA    V   236_A      V   236_A     1.200     0    0.026   0.070     1.443   83.690   82.721
LGA    P   237_A      P   237_A     1.987     0    0.597   0.681     4.019   77.143   63.741

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      129     516    516  100.00    1007   1007  100.00               395
SUMMARY(RMSD_GDC):     2.059          2.046                  2.808           25.680   23.764

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  129  395    4.0    125    1.69    27.532    26.446     6.997

LGA_LOCAL      RMSD:   1.686  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.089  Number of assigned atoms:  129 
Std_ASGN_ATOMS RMSD:   2.059  Standard rmsd on all 129 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.925411 * X  +  -0.351591 * Y  +   0.141416 * Z  +  -8.701481
  Y_new =   0.371931 * X  +   0.771060 * Y  +  -0.516850 * Z  + -47.618553
  Z_new =   0.072680 * X  +   0.530895 * Y  +   0.844315 * Z  + -93.712379 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.382151 -0.072744  0.561318   [DEG:   21.8956   -4.1679   32.1612 ]
ZXZ:  0.267074  0.565510  0.136054   [DEG:   15.3022   32.4014    7.7953 ]
 
# END of job
