
#######################################################
#                                                     #
#                        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  150 ( 1274),  selected  150 , name one
# Molecule2: number of CA atoms  173 ( 1441),  selected  150 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      24_A - 150_A       4.77     8.55
  LCS_AVERAGE:     64.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      69_A - 136_A       1.94     9.17
  LCS_AVERAGE:     27.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      72_A - 99_A        0.98     8.93
  LCS_AVERAGE:      9.63

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  150
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     R    24_B     R    24_A     16   43  127     10   14   35   64   85   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     Y    25_B     Y    25_A     16   43  127      7   14   26   48   79   94  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     N    26_B     N    26_A     16   43  127     10   14   28   52   85   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F    27_B     F    27_A     16   43  127     10   23   53   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     W    28_B     W    28_A     16   43  127     10   22   49   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K    29_B     K    29_A     16   43  127     10   14   35   68   87   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    30_B     E    30_A     16   43  127     10   22   50   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     A    31_B     A    31_A     16   43  127     10   32   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     G    32_B     G    32_A     16   43  127     10   29   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F    33_B     F    33_A     16   43  127     14   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    34_B     L    34_A     16   43  127     10   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     S    35_B     S    35_A     16   43  127     10   25   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    36_B     L    36_A     16   43  127      9   21   58   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    37_B     L    37_A     16   43  127      6   14   50   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     Q    38_B     Q    38_A     16   43  127      6   14   16   72   87   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    39_B     E    39_A     16   43  127      4   32   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F    40_B     F    40_A      9   43  127      4   16   42   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     D    41_B     D    41_A      9   43  127      3   16   42   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F    42_B     F    42_A     11   43  127      5   14   25   56   85   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     V    43_B     V    43_A     11   43  127     10   33   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     P    44_B     P    44_A     11   43  127      4   22   49   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R    45_B     R    45_A     11   43  127      6   22   49   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    46_B     L    46_A     11   43  127      6   22   49   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     Y    47_B     Y    47_A     11   43  127      3   17   33   59   82   94  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     S    48_B     S    48_A     11   43  127      3   12   28   51   78   94  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    49_B     I    49_A     11   43  127      3   12   27   50   78   94  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     N    50_B     N    50_A     11   43  127      3    8   23   35   65   87  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     P    51_B     P    51_A     11   43  127      3   11   22   35   47   71   94  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    52_B     E    52_A     11   43  127      3   14   22   35   43   65   82   98  109  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K    53_B     K    53_A      3   43  127      3    3    4   30   49   82  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    54_B     L    54_A      6   43  127      3    6   15   36   72   94  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    55_B     E    55_A      6   43  127      4   15   35   52   75   95  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    56_B     I    56_A      6   43  127      3    6   33   71   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    57_B     E    57_A      9   43  127      3   16   43   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     M    58_B     M    58_A      9   43  127      3   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    59_B     E    59_A      9   43  127      6   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F    60_B     F    60_A      9   43  127      8   28   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    61_B     I    61_A      9   43  127      7   28   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    62_B     E    62_A      9   43  127     10   32   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     G    63_B     G    63_A      9   43  127      8   29   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R    64_B     R    64_A      9   43  127      7   21   56   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     P    65_B     P    65_A      9   43  127      8   22   55   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    66_B     I    66_A      9   43  127      4   28   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K    67_B     K    67_A      4   14  127      3    6    9   20   29   45   65   93  102  111  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     D    68_B     D    68_A      4   14  127      3    6   16   22   51   71   91   99  105  111  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     V    69_B     V    69_A      3   68  127      3   11   25   46   67   82   94  104  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    70_B     I    70_A      3   68  127      3    3    5    6   43   54   87   99  106  110  114  118  120  122  123  125  125  126  127  127 
LCS_GDT     N    71_B     N    71_A      3   68  127      3    3    3    4    9   25   74   95  104  108  112  116  120  121  123  125  125  126  127  127 
LCS_GDT     E    72_B     E    72_A     28   68  127      3   15   40   60   86   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    73_B     L    73_A     28   68  127      6   30   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     N    74_B     N    74_A     28   68  127     10   29   51   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     S    75_B     S    75_A     28   68  127      7   27   50   72   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    76_B     E    76_A     28   68  127      7   29   50   73   87   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     T    77_B     T    77_A     28   68  127      8   31   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    78_B     I    78_A     28   68  127     19   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     G    79_B     G    79_A     28   68  127     22   36   59   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R    80_B     R    80_A     28   68  127     16   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    81_B     I    81_A     28   68  127     18   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    82_B     L    82_A     28   68  127     14   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     D    83_B     D    83_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    84_B     I    84_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     C    85_B     C    85_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R    86_B     R    86_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K    87_B     K    87_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    88_B     L    88_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     D    89_B     D    89_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     V    90_B     V    90_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L    91_B     L    91_A     28   68  127     18   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     G    92_B     G    92_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I    93_B     I    93_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     Q    94_B     Q    94_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K    95_B     K    95_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    96_B     E    96_A     28   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E    97_B     E    97_A     28   68  127      3   15   41   70   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     M    98_B     M    98_A     28   68  127     11   31   54   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     N    99_B     N    99_A     28   68  127      5   24   52   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     H   100_B     H   100_A     24   68  127      3   12   30   72   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     P   101_B     P   101_A      3   68  127      3    4    5    9   13   26   48   71   98  110  114  118  120  122  123  125  125  126  127  127 
LCS_GDT     D   102_B     D   102_A     21   68  127      3   22   56   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R   103_B     R   103_A     21   68  127      8   33   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     H   104_B     H   104_A     21   68  127     10   31   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   105_B     I   105_A     21   68  127     10   28   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   106_B     I   106_A     21   68  127     10   28   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   107_B     I   107_A     21   68  127     10   30   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     S   108_B     S   108_A     21   68  127      7   22   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     D   109_B     D   109_A     21   68  127      4   30   58   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R   110_B     R   110_A     21   68  127      8   32   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   111_B     I   111_A     21   68  127     10   32   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     V   112_B     V   112_A     21   68  127     10   28   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F   113_B     F   113_A     21   68  127     10   30   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   114_B     I   114_A     22   68  127      8   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     D   115_B     D   115_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F   116_B     F   116_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     E   117_B     E   117_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R   118_B     R   118_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     G   119_B     G   119_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     V   120_B     V   120_A     22   68  127     11   34   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   121_B     I   121_A     22   68  127     14   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K   122_B     K   122_A     22   68  127      5   31   58   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     C   123_B     C   123_A     22   68  127      9   29   52   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     R   124_B     R   124_A     22   68  127      5   22   46   71   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     P   125_B     P   125_A     22   68  127      4   33   58   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     S   126_B     S   126_A     22   68  127     14   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     N   127_B     N   127_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L   128_B     L   128_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     T   129_B     T   129_A     22   68  127     21   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     Q   130_B     Q   130_A     22   68  127     16   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     F   131_B     F   131_A     22   68  127     21   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     A   132_B     A   132_A     22   68  127     16   33   51   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     V   133_B     V   133_A     22   68  127      9   30   55   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     Y   134_B     Y   134_A     22   68  127     15   35   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L   135_B     L   135_A     22   68  127     22   36   59   74   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     N   136_B     N   136_A     22   68  127      3   29   46   68   85   96  103  106  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     S   137_B     S   137_A      4   67  127      1    4    5    7    9   12   33   59   71   94  103  108  116  119  122  123  125  126  127  127 
LCS_GDT     R   138_B     R   138_A      5   67  127      1    4    5    7    9   12   12   34   37   81   93  103  109  115  121  123  125  126  127  127 
LCS_GDT     L   139_B     L   139_A      5    9  127      3    4    5   11   20   33   49   69   90  100  110  115  119  121  123  125  125  126  127  127 
LCS_GDT     R   140_B     R   140_A      5    9  127      3   32   59   73   88   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L   141_B     L   141_A      5    9  127      3    4   16   45   85   97  103  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     M   142_B     M   142_A      5    9  127      3    4    5    7    9   12   31   47  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     K   143_B     K   143_A      4    9  127      3    4    5    7   17   34   70   94  104  109  114  118  120  122  123  125  125  126  127  127 
LCS_GDT     N   144_B     N   144_A      4   10  127      3    5    9   25   40   58   74   91  102  108  112  115  118  121  122  125  125  126  127  127 
LCS_GDT     E   145_B     E   145_A     10   12  127      7    8    9   10   11   11   13   17   21   25   41   49   78   84   98  108  114  118  124  125 
LCS_GDT     E   146_B     E   146_A     10   12  127      7    8    9   10   11   11   13   13   16   19   21   22   28   31   48   56   78   90  110  116 
LCS_GDT     L   147_B     L   147_A     10   12  127      7    8    9   10   11   11   13   13   17   23   41   49   54   84   92  107  114  117  123  124 
LCS_GDT     K   148_B     K   148_A     10   12  127      7    8    9   10   11   11   13   13   17   32   41   49   78   84  105  112  114  117  123  125 
LCS_GDT     K   149_B     K   149_A     10   12  127      7    8    9   10   11   11   13   13   17   23   27   34   41   43   48   54   62   85  110  115 
LCS_GDT     L   150_B     L   150_A     10   12  127      7    8    9   10   11   11   13   13   16   19   20   21   24   32   35   54   62   66   79  102 
LCS_GDT     L   151_B     L   151_A     10   12   25      7    8    9   10   11   11   13   13   17   20   23   26   27   32   35   54   67   94  108  115 
LCS_GDT     R   152_B     R   152_A     10   12   25      3    8    9   10   11   11   13   15   19   20   22   26   27   27   29   33   35   50   53   75 
LCS_GDT     E   153_B     E   153_A     10   12   25      3    8    9   10   11   11   13   13   16   19   20   21   24   25   28   33   35   40   42   49 
LCS_GDT     Y   154_B     Y   154_A     10   12   25      3    5    8   10   11   11   12   13   15   18   20   21   24   25   28   31   33   35   38   49 
LCS_GDT     K   155_B     K   155_A      5   19   25      3    4    5    7   11   11   12   13   22   23   23   26   27   27   29   31   33   35   37   39 
LCS_GDT     K   156_B     K   156_A      5   19   25      3    4   13   17   19   21   21   21   22   23   23   26   27   27   29   31   33   39   43   49 
LCS_GDT     G   157_B     G   157_A      5   19   25      3    4    5    6   17   21   21   21   22   23   23   26   27   27   29   33   35   45   49   51 
LCS_GDT     F   158_B     F   158_A     16   19   25      5   11   14   17   19   21   21   21   22   23   23   26   27   29   32   35   39   45   59   63 
LCS_GDT     D   159_B     D   159_A     16   19   25      5   13   16   17   19   21   21   21   22   23   23   26   27   27   29   31   33   37   54   62 
LCS_GDT     D   160_B     D   160_A     16   19   25      5   13   16   17   19   21   21   21   22   23   23   26   27   27   29   30   33   35   39   43 
LCS_GDT     E   161_B     E   161_A     16   19   25      8   13   16   17   19   21   21   21   22   23   23   26   30   37   44   61   76  101  110  115 
LCS_GDT     S   162_B     S   162_A     16   19   25      8   13   16   17   19   21   21   21   27   41   50   71   89   97  106  111  114  117  120  123 
LCS_GDT     Y   163_B     Y   163_A     16   19   25      8   13   16   17   19   21   21   21   22   23   23   30   38   67   93  105  110  115  120  123 
LCS_GDT     R   164_B     R   164_A     16   19   25      8   13   16   17   19   21   21   21   22   23   23   28   37   67   98  103  112  118  122  125 
LCS_GDT     E   165_B     E   165_A     16   19   25      8   13   16   17   19   28   44   97  105  108  112  116  120  122  123  125  125  126  127  127 
LCS_GDT     L   166_B     L   166_A     16   19   25      7   13   16   24   60   83  100  104  108  111  114  118  120  122  123  125  125  126  127  127 
LCS_GDT     R   167_B     R   167_A     16   19   25      7   13   16   17   19   21   21   28   79   85  106  114  119  122  123  125  125  126  127  127 
LCS_GDT     T   168_B     T   168_A     16   19   25      8   13   16   17   21   28   76   87   99  106  114  118  120  122  123  125  125  126  127  127 
LCS_GDT     Q   169_B     Q   169_A     16   19   24      8   13   27   57   73   92  101  107  110  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     I   170_B     I   170_A     16   19   24      7   13   16   29   44   71   82   95  107  112  115  118  120  122  123  125  125  126  127  127 
LCS_GDT     L   171_B     L   171_A     16   19   24      8   13   16   17   19   21   38   46   56   67   77   85   97  105  114  117  121  123  125  127 
LCS_GDT     Q   172_B     Q   172_A     16   19   24      6   13   16   17   19   21   21   22   40   49   74   81   92   98  106  110  115  119  122  125 
LCS_GDT     Y   173_B     Y   173_A     16   19   24      3   10   16   17   19   21   21   21   22   23   27   31   48   51   58   61   65   91   96  123 
LCS_AVERAGE  LCS_A:  33.87  (   9.63   27.63   64.35 )

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     22     36     59     74     88     97    103    107    110    112    115    118    120    122    123    125    125    126    127    127 
GDT PERCENT_AT  12.72  20.81  34.10  42.77  50.87  56.07  59.54  61.85  63.58  64.74  66.47  68.21  69.36  70.52  71.10  72.25  72.25  72.83  73.41  73.41
GDT RMS_LOCAL    0.32   0.59   1.03   1.30   1.51   1.69   1.91   2.08   2.22   2.33   2.48   2.62   2.74   2.92   2.98   3.14   3.14   3.24   3.35   3.35
GDT RMS_ALL_AT   9.10   9.17   9.36   9.19   9.13   9.12   9.06   9.08   9.08   9.11   9.22   9.06   9.07   9.06   9.04   9.01   9.01   9.01   9.02   9.02

# Checking swapping
#   possible swapping detected:  F    33_B      F    33_A
#   possible swapping detected:  F    42_B      F    42_A
#   possible swapping detected:  Y    47_B      Y    47_A
#   possible swapping detected:  E    59_B      E    59_A
#   possible swapping detected:  E    62_B      E    62_A
#   possible swapping detected:  D    68_B      D    68_A
#   possible swapping detected:  E    97_B      E    97_A
#   possible swapping detected:  D   102_B      D   102_A
#   possible swapping detected:  F   116_B      F   116_A
#   possible swapping detected:  Y   134_B      Y   134_A
#   possible swapping detected:  Y   163_B      Y   163_A
#   possible swapping detected:  Y   173_B      Y   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    24_B      R    24_A     2.805     0    0.524   1.310     6.200   51.310   41.472
LGA    Y    25_B      Y    25_A     3.689     0    0.037   1.446    11.676   48.452   23.730
LGA    N    26_B      N    26_A     2.879     0    0.094   1.217     3.283   59.167   59.167
LGA    F    27_B      F    27_A     1.034     0    0.030   0.387     3.981   83.810   70.303
LGA    W    28_B      W    28_A     1.432     0    0.071   0.340     2.520   81.429   69.558
LGA    K    29_B      K    29_A     2.277     0    0.039   0.977     2.857   66.786   68.466
LGA    E    30_B      E    30_A     2.111     0    0.070   0.710     3.413   70.833   62.487
LGA    A    31_B      A    31_A     0.822     0    0.037   0.048     1.132   88.214   88.667
LGA    G    32_B      G    32_A     0.334     0    0.040   0.040     0.464  100.000  100.000
LGA    F    33_B      F    33_A     1.072     0    0.073   0.318     1.420   83.690   83.074
LGA    L    34_B      L    34_A     1.698     0    0.051   1.389     3.666   75.000   72.440
LGA    S    35_B      S    35_A     1.448     0    0.029   0.720     2.444   75.119   74.444
LGA    L    36_B      L    36_A     1.501     0    0.157   1.405     4.810   72.976   60.655
LGA    L    37_B      L    37_A     2.446     0    0.194   0.298     2.805   62.857   61.905
LGA    Q    38_B      Q    38_A     2.837     0    0.106   1.153     3.167   57.143   67.407
LGA    E    39_B      E    39_A     2.188     0    0.156   1.090     6.255   68.810   49.312
LGA    F    40_B      F    40_A     2.293     0    0.667   0.687     3.911   61.429   62.165
LGA    D    41_B      D    41_A     2.444     0    0.096   1.126     4.668   59.048   52.262
LGA    F    42_B      F    42_A     3.002     0    0.281   1.072     5.403   65.357   47.143
LGA    V    43_B      V    43_A     1.361     0    0.043   1.137     4.362   77.143   70.204
LGA    P    44_B      P    44_A     1.902     0    0.038   0.246     2.742   77.143   70.748
LGA    R    45_B      R    45_A     1.918     0    0.038   1.595     6.327   70.833   54.848
LGA    L    46_B      L    46_A     1.699     0    0.022   1.240     4.116   68.810   63.512
LGA    Y    47_B      Y    47_A     3.118     0    0.097   0.562     3.831   50.119   53.611
LGA    S    48_B      S    48_A     3.551     0    0.021   0.567     4.455   48.333   45.635
LGA    I    49_B      I    49_A     3.607     0    0.116   1.085     4.204   40.238   45.417
LGA    N    50_B      N    50_A     5.024     0    0.197   1.110     7.420   28.929   23.810
LGA    P    51_B      P    51_A     5.925     0    0.695   0.607     9.262   15.595   20.952
LGA    E    52_B      E    52_A     6.619     3    0.428   0.682     9.075   19.524    9.947
LGA    K    53_B      K    53_A     4.404     0    0.073   0.707     5.067   34.405   34.074
LGA    L    54_B      L    54_A     4.078     0    0.543   0.849     8.047   32.143   24.524
LGA    E    55_B      E    55_A     3.367     0    0.069   1.137    11.204   63.214   32.698
LGA    I    56_B      I    56_A     1.971     0    0.105   1.174     9.089   61.548   39.881
LGA    E    57_B      E    57_A     1.885     0    0.122   0.488     9.632   73.690   39.788
LGA    M    58_B      M    58_A     1.484     0    0.069   1.315     5.955   84.167   58.750
LGA    E    59_B      E    59_A     1.115     0    0.042   1.143     3.094   81.548   75.185
LGA    F    60_B      F    60_A     1.334     0    0.049   0.092     2.004   81.429   76.797
LGA    I    61_B      I    61_A     1.188     0    0.064   0.207     2.329   81.429   78.274
LGA    E    62_B      E    62_A     1.807     0    0.191   0.530     4.125   70.833   61.905
LGA    G    63_B      G    63_A     1.958     0    0.048   0.048     2.097   68.810   68.810
LGA    R    64_B      R    64_A     2.287     0    0.135   1.138     4.078   66.786   56.970
LGA    P    65_B      P    65_A     2.356     0    0.057   0.164     2.923   68.810   63.810
LGA    I    66_B      I    66_A     1.557     0    0.144   0.213     2.810   65.000   64.940
LGA    K    67_B      K    67_A     5.784     0    0.038   1.073    13.326   21.429   10.794
LGA    D    68_B      D    68_A     5.732     0    0.168   1.029    11.504   27.857   14.524
LGA    V    69_B      V    69_A     5.277     0    0.409   0.439     9.394   29.524   20.952
LGA    I    70_B      I    70_A     5.973     0    0.055   1.118    10.988   21.429   12.619
LGA    N    71_B      N    71_A     6.823     0    0.659   1.178    12.259   20.595   10.655
LGA    E    72_B      E    72_A     3.021     0    0.653   1.091     5.260   45.357   48.201
LGA    L    73_B      L    73_A     1.192     0    0.054   0.940     4.054   77.143   70.952
LGA    N    74_B      N    74_A     2.505     0    0.038   0.326     4.256   64.881   56.726
LGA    S    75_B      S    75_A     3.268     0    0.046   0.609     4.370   51.786   49.048
LGA    E    76_B      E    76_A     3.170     0    0.043   0.566     5.378   57.381   48.466
LGA    T    77_B      T    77_A     1.472     0    0.029   0.080     2.176   81.786   78.027
LGA    I    78_B      I    78_A     1.359     0    0.033   1.001     4.477   79.286   65.179
LGA    G    79_B      G    79_A     2.219     0    0.042   0.042     2.219   70.833   70.833
LGA    R    80_B      R    80_A     1.392     0    0.039   1.392     6.991   83.810   55.844
LGA    I    81_B      I    81_A     0.271     0    0.027   0.998     2.412   95.238   84.405
LGA    L    82_B      L    82_A     1.492     0    0.031   1.455     5.919   81.429   62.321
LGA    D    83_B      D    83_A     1.506     0    0.044   0.402     3.116   79.286   72.202
LGA    I    84_B      I    84_A     0.857     0    0.023   1.165     2.583   88.214   77.798
LGA    C    85_B      C    85_A     0.733     0    0.020   0.739     2.928   90.476   84.921
LGA    R    86_B      R    86_A     0.640     0    0.039   0.924     5.845   90.476   65.368
LGA    K    87_B      K    87_A     0.578     0    0.031   0.956     3.638   90.476   73.545
LGA    L    88_B      L    88_A     0.688     0    0.037   1.414     3.324   90.476   79.048
LGA    D    89_B      D    89_A     0.679     0    0.027   0.069     0.925   90.476   90.476
LGA    V    90_B      V    90_A     0.921     0    0.028   0.211     1.493   88.214   85.306
LGA    L    91_B      L    91_A     1.302     0    0.084   0.200     2.302   81.429   75.119
LGA    G    92_B      G    92_A     0.846     0    0.070   0.070     0.981   90.476   90.476
LGA    I    93_B      I    93_A     0.867     0    0.079   0.092     1.561   92.857   86.071
LGA    Q    94_B      Q    94_A     0.939     0    0.103   0.896     3.023   90.476   77.354
LGA    K    95_B      K    95_A     1.060     0    0.109   0.817     3.768   88.214   76.720
LGA    E    96_B      E    96_A     0.857     0    0.697   0.954     2.856   79.881   78.042
LGA    E    97_B      E    97_A     2.060     0    0.190   1.105     7.370   75.119   49.947
LGA    M    98_B      M    98_A     1.422     0    0.159   1.221     3.915   75.119   66.607
LGA    N    99_B      N    99_A     1.175     0    0.699   0.605     2.575   75.357   73.095
LGA    H   100_B      H   100_A     2.931     0    0.521   1.060     5.204   49.167   51.381
LGA    P   101_B      P   101_A     5.833     0    0.598   0.498     7.996   31.905   22.721
LGA    D   102_B      D   102_A     2.146     0    0.577   1.433     5.726   66.786   47.917
LGA    R   103_B      R   103_A     1.777     0    0.151   1.254     5.253   72.857   66.797
LGA    H   104_B      H   104_A     1.614     0    0.140   0.582     2.387   77.143   71.333
LGA    I   105_B      I   105_A     1.608     0    0.029   0.675     2.385   72.857   73.988
LGA    I   106_B      I   106_A     1.762     0    0.035   0.574     3.345   72.857   71.071
LGA    I   107_B      I   107_A     1.547     0    0.028   0.982     3.181   72.857   71.071
LGA    S   108_B      S   108_A     1.684     0    0.030   0.641     2.428   77.143   73.016
LGA    D   109_B      D   109_A     2.063     0    0.032   0.899     3.282   72.976   67.083
LGA    R   110_B      R   110_A     1.250     0    0.059   1.502     8.122   79.286   53.810
LGA    I   111_B      I   111_A     1.134     0    0.093   1.304     2.692   81.429   73.274
LGA    V   112_B      V   112_A     1.643     0    0.089   1.129     3.928   72.857   68.639
LGA    F   113_B      F   113_A     1.490     0    0.082   0.358     1.566   79.286   79.870
LGA    I   114_B      I   114_A     0.950     0    0.043   0.064     1.234   88.214   88.214
LGA    D   115_B      D   115_A     0.502     0    0.025   0.810     3.663   90.595   77.262
LGA    F   116_B      F   116_A     0.840     0    0.079   0.264     1.790   85.952   81.558
LGA    E   117_B      E   117_A     1.293     0    0.113   0.873     3.366   81.429   76.032
LGA    R   118_B      R   118_A     1.590     0    0.187   1.357     8.268   79.286   52.294
LGA    G   119_B      G   119_A     1.274     0    0.032   0.032     1.421   81.429   81.429
LGA    V   120_B      V   120_A     0.876     0    0.076   0.196     0.876   90.476   91.837
LGA    I   121_B      I   121_A     0.868     0    0.189   1.144     3.274   90.476   82.024
LGA    K   122_B      K   122_A     1.719     0    0.042   0.838     2.645   70.833   69.312
LGA    C   123_B      C   123_A     2.297     0    0.040   0.769     3.252   60.952   59.762
LGA    R   124_B      R   124_A     2.629     0    0.061   0.904     5.559   59.048   46.623
LGA    P   125_B      P   125_A     1.623     0    0.620   0.584     3.808   65.476   68.707
LGA    S   126_B      S   126_A     1.582     0    0.056   0.080     2.453   79.286   74.444
LGA    N   127_B      N   127_A     0.883     0    0.035   0.259     1.161   83.690   85.952
LGA    L   128_B      L   128_A     1.268     0    0.025   1.047     2.836   77.143   75.179
LGA    T   129_B      T   129_A     1.921     0    0.056   0.111     2.615   66.905   70.680
LGA    Q   130_B      Q   130_A     2.090     0    0.044   0.303     2.491   64.762   64.762
LGA    F   131_B      F   131_A     1.835     0    0.069   0.228     2.034   70.833   76.840
LGA    A   132_B      A   132_A     2.735     0    0.040   0.051     3.132   59.048   57.238
LGA    V   133_B      V   133_A     3.275     0    0.042   1.194     5.690   53.571   48.027
LGA    Y   134_B      Y   134_A     2.305     0    0.086   1.361     9.599   62.857   41.310
LGA    L   135_B      L   135_A     2.007     0    0.047   1.225     3.424   62.976   60.179
LGA    N   136_B      N   136_A     3.934     0    0.582   1.264     6.922   30.952   34.881
LGA    S   137_B      S   137_A     9.467     0    0.517   0.577    13.861    5.357    3.571
LGA    R   138_B      R   138_A    10.153     0    0.106   1.419    21.891    0.595    0.216
LGA    L   139_B      L   139_A     7.484     0    0.159   1.033    10.000   14.405   10.536
LGA    R   140_B      R   140_A     2.738     0    0.184   1.520     7.282   50.595   35.758
LGA    L   141_B      L   141_A     2.978     0    0.278   0.259     4.506   49.167   54.167
LGA    M   142_B      M   142_A     5.314     0    0.534   0.780     8.785   39.881   25.536
LGA    K   143_B      K   143_A     6.221     4    0.036   0.037     8.556   11.786    6.032
LGA    N   144_B      N   144_A     9.141     3    0.611   0.581    11.485    2.857    1.488
LGA    E   145_B      E   145_A    15.658     4    0.627   0.621    18.034    0.000    0.000
LGA    E   146_B      E   146_A    19.317     4    0.069   0.079    20.168    0.000    0.000
LGA    L   147_B      L   147_A    15.540     0    0.042   1.518    16.729    0.000    0.000
LGA    K   148_B      K   148_A    16.233     0    0.034   0.505    19.441    0.000    0.000
LGA    K   149_B      K   149_A    21.774     0    0.062   0.709    24.989    0.000    0.000
LGA    L   150_B      L   150_A    22.095     0    0.050   1.264    23.915    0.000    0.000
LGA    L   151_B      L   151_A    19.962     0    0.053   1.396    22.758    0.000    0.000
LGA    R   152_B      R   152_A    23.461     0    0.183   1.192    26.560    0.000    0.000
LGA    E   153_B      E   153_A    27.334     0    0.122   1.315    32.239    0.000    0.000
LGA    Y   154_B      Y   154_A    28.481     0    0.057   1.405    32.408    0.000    0.000
LGA    K   155_B      K   155_A    28.968     0    0.168   0.656    31.187    0.000    0.000
LGA    K   156_B      K   156_A    28.867     0    0.035   0.744    30.814    0.000    0.000
LGA    G   157_B      G   157_A    29.574     0    0.467   0.467    29.860    0.000    0.000
LGA    F   158_B      F   158_A    25.569     0    0.584   1.006    26.689    0.000    0.000
LGA    D   159_B      D   159_A    26.669     0    0.044   0.991    28.889    0.000    0.000
LGA    D   160_B      D   160_A    24.532     0    0.048   0.960    28.661    0.000    0.000
LGA    E   161_B      E   161_A    20.169     0    0.057   0.511    22.370    0.000    0.000
LGA    S   162_B      S   162_A    16.616     0    0.105   0.458    18.484    0.000    0.000
LGA    Y   163_B      Y   163_A    15.437     0    0.023   1.363    17.803    0.000    0.000
LGA    R   164_B      R   164_A    14.271     0    0.036   1.289    24.290    0.000    0.000
LGA    E   165_B      E   165_A     7.973     0    0.049   0.801    10.587   16.905   15.503
LGA    L   166_B      L   166_A     5.471     0    0.037   0.089     7.355   28.095   23.869
LGA    R   167_B      R   167_A     8.947     0    0.026   0.831    22.763    4.048    1.472
LGA    T   168_B      T   168_A     8.201     0    0.042   1.036     9.220    6.429    6.803
LGA    Q   169_B      Q   169_A     4.256     0    0.020   1.085     8.051   25.119   31.852
LGA    I   170_B      I   170_A     6.651     0    0.033   1.308    11.375   10.000   17.917
LGA    L   171_B      L   171_A    13.366     0    0.086   1.463    17.657    0.000    0.000
LGA    Q   172_B      Q   172_A    14.937     0    0.087   1.192    18.647    0.000    0.000
LGA    Y   173_B      Y   173_A    16.790     0    0.289   1.251    20.797    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      150     600    600  100.00    1256   1256  100.00               173
SUMMARY(RMSD_GDC):     8.254          8.342                  9.062           46.413   41.634

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  150  173    4.0    107    2.08    49.422    47.183     4.909

LGA_LOCAL      RMSD:   2.079  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.080  Number of assigned atoms:  150 
Std_ASGN_ATOMS RMSD:   8.254  Standard rmsd on all 150 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.906474 * X  +  -0.351223 * Y  +  -0.234410 * Z  +   7.922988
  Y_new =   0.371254 * X  +   0.927385 * Y  +   0.046129 * Z  + -65.870483
  Z_new =   0.201187 * X  +  -0.128840 * Y  +   0.971043 * Z  +   9.109315 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.388719 -0.202570 -0.131912   [DEG:   22.2719  -11.6064   -7.5580 ]
ZXZ: -1.765100  0.241239  2.140393   [DEG: -101.1328   13.8220  122.6355 ]
 
# END of job
