
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       3.79     3.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55       7_B - 61_B        1.98     4.79
  LCS_AVERAGE:     35.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30       7_B - 36_B        0.87     5.31
  LONGEST_CONTINUOUS_SEGMENT:    30       8_B - 37_B        1.00     5.05
  LCS_AVERAGE:     15.32

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     7_B     E     7_B     30   55  126     16   25   40   64   74   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     30   55  126     16   25   39   53   73   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A     9_B     A     9_B     30   55  126     16   25   39   64   74   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    10_B     K    10_B     30   55  126     16   25   47   64   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    11_B     E    11_B     30   55  126     16   25   44   64   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A    12_B     A    12_B     30   55  126     16   25   47   65   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I    13_B     I    13_B     30   55  126     16   30   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I    14_B     I    14_B     30   55  126     16   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A    15_B     A    15_B     30   55  126     16   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     M    16_B     M    16_B     30   55  126     23   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     L    17_B     L    17_B     30   55  126     16   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    18_B     K    18_B     30   55  126     16   37   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    19_B     E    19_B     30   55  126     16   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     W    20_B     W    20_B     30   55  126     16   34   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Y    21_B     Y    21_B     30   55  126     16   26   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    22_B     D    22_B     30   55  126     16   26   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A    23_B     A    23_B     30   55  126     16   25   51   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     M    24_B     M    24_B     30   55  126     16   25   48   64   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     N    25_B     N    25_B     30   55  126     16   25   43   63   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    26_B     E    26_B     30   55  126     14   25   48   67   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     G    27_B     G    27_B     30   55  126     14   25   48   67   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    28_B     D    28_B     30   55  126     13   32   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     M    29_B     M    29_B     30   55  126      8   32   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    30_B     E    30_B     30   55  126     12   37   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    31_B     K    31_B     30   55  126      8   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     L    32_B     L    32_B     30   55  126      8   32   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     R    33_B     R    33_B     30   55  126      8   30   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     S    34_B     S    34_B     30   55  126     12   37   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     L    35_B     L    35_B     30   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    36_B     V    36_B     30   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    37_B     D    37_B     30   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     P    38_B     P    38_B     29   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    39_B     D    39_B     29   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A    40_B     A    40_B     29   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     S    41_B     S    41_B     29   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     F    42_B     F    42_B     29   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    43_B     V    43_B     18   55  126     12   35   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    44_B     D    44_B     17   55  126      7   14   37   59   76   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A    45_B     A    45_B      4   55  126      3    4   10   13   28   56   69   80   90  108  111  116  119  120  122  123  125  125  125  125 
LCS_GDT     R    46_B     R    46_B      5   55  126      3    9   11   14   27   35   39   59   78   90  109  114  118  120  122  123  125  125  125  125 
LCS_GDT     T    47_B     T    47_B     12   55  126      4   13   30   51   64   77   91  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     N    48_B     N    48_B     12   55  126      6   21   38   51   69   83   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q    49_B     Q    49_B     12   55  126      8   31   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     12   55  126     11   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Y    51_B     Y    51_B     12   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    52_B     D    52_B     12   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    53_B     K    53_B     12   55  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    54_B     D    54_B     12   55  126      7   37   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q    55_B     Q    55_B     12   55  126      8   29   53   68   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     F    56_B     F    56_B     12   55  126      8   31   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     L    57_B     L    57_B     12   55  126     12   37   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q    58_B     Q    58_B     12   55  126      5   21   43   59   74   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     M    59_B     M    59_B     12   55  126      4    9   25   47   64   80   92  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I    60_B     I    60_B     12   55  126      4    8   14   51   74   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    61_B     K    61_B     12   55  126      7   29   48   63   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    62_B     E    62_B     12   54  126      3    8   24   41   60   70   82   98  107  109  112  116  118  120  122  123  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     12   37  126      4    8   18   33   50   66   79   91  107  109  111  115  118  120  122  123  125  125  125  125 
LCS_GDT     L    64_B     L    64_B      6   36  126      3    4   23   43   75   91   95  100  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    65_B     E    65_B      4   14  126      3    4    4    5    6    9   84   94  104  109  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q    66_B     Q    66_B      4    6  126      3    4    4    5   25   68   77   87   93  106  111  116  118  120  122  123  125  125  125  125 
LCS_GDT     D    67_B     D    67_B      4    8  126      8   30   47   62   76   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     L    68_B     L    68_B      7    8  126      4    6    7    7   14   41   54   85  104  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    69_B     K    69_B      7    8  126      4    6    7   10   20   41   79   99  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    70_B     V    70_B      7    8  126      3    6    7   10   23   67   91  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    71_B     E    71_B      7    8  126      4   12   38   59   73   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    72_B     V    72_B      7    8  126      4   19   40   58   74   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    73_B     K    73_B      7    8  126      3   27   43   62   76   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     S    74_B     S    74_B      7    8  126      3    6   38   59   76   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I    75_B     I    75_B      4    8  126      3    6    6   20   56   69   86  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    76_B     D    76_B      5    8  126      3    6   14   34   57   73   86  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I    77_B     I    77_B      5    8  126      3   11   24   43   64   75   84  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E    78_B     E    78_B      5    8  126      3    6   24   48   68   85   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q    79_B     Q    79_B      5    9  126      3    4    9   15   46   56   83   99  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q    80_B     Q    80_B      5   10  126      3    6   13   34   57   77   91  100  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     P    81_B     P    81_B      4   13  126      3    6    6    8   13   36   62   96  106  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    82_B     D    82_B      4   45  126      4   17   33   47   75   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     G    83_B     G    83_B     14   46  126     17   37   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D    84_B     D    84_B     14   46  126      5   26   40   51   76   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    85_B     V    85_B     14   46  126     12   35   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    86_B     V    86_B     14   46  126     21   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I    87_B     I    87_B     14   46  126     22   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    88_B     V    88_B     14   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    89_B     K    89_B     14   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    90_B     V    90_B     14   46  126      7   30   52   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K    91_B     K    91_B     15   46  126     20   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    92_B     V    92_B     15   46  126      7   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     R    93_B     R    93_B     15   46  126      4   35   52   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     15   46  126      5   32   52   69   77   90   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     T    95_B     T    95_B     15   46  126      7   14   38   55   61   76   87   96  102  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     M    96_B     M    96_B     18   46  126      7   14   26   42   57   68   78   91  102  108  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V    97_B     V    97_B     18   46  126      7   14   25   39   50   59   71   78   90  101  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     R    98_B     R    98_B     18   46  126      4    9   16   28   44   53   60   72   79   90  104  113  119  120  122  123  125  125  125  125 
LCS_GDT     Q   101_B     Q   101_B     18   46  126      7   13   25   40   50   62   71   79   90  102  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E   102_B     E   102_B     18   46  126      7   13   25   40   55   67   76   81   94  105  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     H   103_B     H   103_B     18   46  126      4   13   25   42   57   68   76   91  102  107  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V   104_B     V   104_B     18   46  126      5   14   40   55   69   76   90   97  106  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     F   105_B     F   105_B     26   46  126      9   35   52   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E   106_B     E   106_B     26   46  126     18   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V   107_B     V   107_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V   108_B     V   108_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D   109_B     D   109_B     26   46  126     21   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     T   110_B     T   110_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Y   111_B     Y   111_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E   112_B     E   112_B     26   46  126     22   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     F   113_B     F   113_B     26   46  126     21   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     R   114_B     R   114_B     26   46  126     14   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     R   115_B     R   115_B     26   46  126     14   36   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K   116_B     K   116_B     26   46  126     23   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     G   117_B     G   117_B     26   46  126      7   37   52   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     D   118_B     D   118_B     26   46  126      3   27   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     S   119_B     S   119_B     26   46  126      4   29   52   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     26   46  126     14   37   53   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K   121_B     K   121_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I   122_B     I   122_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V   123_B     V   123_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     K   124_B     K   124_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     L   125_B     L   125_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     S   127_B     S   127_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     E   128_B     E   128_B     26   46  126     25   38   56   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     I   129_B     I   129_B     26   46  126      5   37   52   70   77   91   95  101  107  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     T   130_B     T   130_B     26   46  126      5   30   46   56   68   82   88   98  106  110  112  116  119  120  122  123  125  125  125  125 
LCS_GDT     Q   131_B     Q   131_B      5   44  126      3    6   10   22   45   61   75   85   95  101  106  114  118  119  122  123  125  125  125  125 
LCS_GDT     L   132_B     L   132_B      5   32  126      5   26   45   54   67   82   90   97  104  108  112  115  119  120  122  123  125  125  125  125 
LCS_GDT     G   133_B     G   133_B      3   30  126      3    5   11   21   36   52   60   74   81   91   97  105  114  119  121  123  125  125  125  125 
LCS_GDT     S   134_B     S   134_B      3    4  126      3    3    3    4    4    5   14   15   23   34   38   59   64   86   88   99  105  116  122  122 
LCS_AVERAGE  LCS_A:  50.14  (  15.32   35.09  100.00 )

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     25     38     56     70     77     91     95    101    107    110    112    116    119    120    122    123    125    125    125    125 
GDT PERCENT_AT  19.84  30.16  44.44  55.56  61.11  72.22  75.40  80.16  84.92  87.30  88.89  92.06  94.44  95.24  96.83  97.62  99.21  99.21  99.21  99.21
GDT RMS_LOCAL    0.33   0.53   0.92   1.16   1.32   1.74   1.85   2.12   2.37   2.53   2.63   2.85   3.16   3.10   3.25   3.35   3.53   3.53   3.53   3.53
GDT RMS_ALL_AT   3.90   3.91   3.90   3.90   3.91   3.96   3.97   3.99   4.05   3.93   3.86   3.89   3.80   3.84   3.81   3.80   3.80   3.80   3.80   3.80

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     2.619     0    0.272   0.677     3.220   57.143   58.889
LGA    E     8_B      E     8_B     3.045     0    0.056   1.083     5.033   55.357   46.878
LGA    A     9_B      A     9_B     2.523     0    0.049   0.053     2.747   62.976   61.810
LGA    K    10_B      K    10_B     1.986     0    0.042   0.792     4.915   70.833   56.772
LGA    E    11_B      E    11_B     2.142     0    0.025   1.116     7.497   68.810   48.466
LGA    A    12_B      A    12_B     1.907     0    0.027   0.037     2.147   70.833   69.619
LGA    I    13_B      I    13_B     1.396     0    0.044   0.703     3.132   79.286   75.357
LGA    I    14_B      I    14_B     0.995     0    0.020   0.265     1.661   83.690   83.750
LGA    A    15_B      A    15_B     1.020     0    0.032   0.036     1.220   83.690   85.048
LGA    M    16_B      M    16_B     1.206     0    0.039   0.952     1.823   81.429   81.488
LGA    L    17_B      L    17_B     1.359     0    0.026   1.402     2.962   79.286   73.214
LGA    K    18_B      K    18_B     1.472     0    0.022   1.328     6.082   79.286   64.974
LGA    E    19_B      E    19_B     1.203     0    0.034   0.657     2.941   79.286   75.079
LGA    W    20_B      W    20_B     1.608     0    0.033   1.649     5.126   75.000   61.259
LGA    Y    21_B      Y    21_B     1.906     0    0.031   0.409     2.314   68.810   75.119
LGA    D    22_B      D    22_B     1.980     0    0.036   0.916     3.912   68.810   63.214
LGA    A    23_B      A    23_B     2.235     0    0.039   0.037     2.355   64.762   64.762
LGA    M    24_B      M    24_B     2.638     0    0.025   0.973     4.031   59.048   53.869
LGA    N    25_B      N    25_B     2.903     0    0.057   0.291     3.884   55.357   53.631
LGA    E    26_B      E    26_B     2.465     0    0.098   0.895     3.846   60.952   58.201
LGA    G    27_B      G    27_B     2.295     0    0.065   0.065     2.458   68.810   68.810
LGA    D    28_B      D    28_B     1.529     0    0.043   0.255     2.214   75.000   75.119
LGA    M    29_B      M    29_B     1.412     0    0.087   0.671     5.422   81.429   61.667
LGA    E    30_B      E    30_B     0.803     0    0.023   1.212     5.966   90.476   67.460
LGA    K    31_B      K    31_B     0.937     0    0.046   0.981     3.303   85.952   75.608
LGA    L    32_B      L    32_B     1.486     0    0.042   0.083     1.821   79.286   76.071
LGA    R    33_B      R    33_B     1.374     0    0.049   0.544     4.715   81.429   63.420
LGA    S    34_B      S    34_B     0.980     0    0.185   0.745     2.563   83.810   78.968
LGA    L    35_B      L    35_B     0.475     0    0.202   0.932     2.603   92.857   85.298
LGA    V    36_B      V    36_B     0.606     0    0.059   1.070     2.481   92.857   84.490
LGA    D    37_B      D    37_B     0.918     0    0.057   0.082     1.288   90.476   87.083
LGA    P    38_B      P    38_B     0.874     0    0.022   0.111     1.098   90.476   87.891
LGA    D    39_B      D    39_B     0.977     0    0.115   0.543     2.518   92.857   86.429
LGA    A    40_B      A    40_B     0.788     0    0.052   0.053     1.001   88.214   88.667
LGA    S    41_B      S    41_B     0.468     0    0.130   0.650     2.779   95.238   88.095
LGA    F    42_B      F    42_B     0.821     0    0.144   0.271     1.351   90.476   88.009
LGA    V    43_B      V    43_B     1.047     0    0.118   1.090     3.523   83.690   78.707
LGA    D    44_B      D    44_B     2.707     0    0.281   1.082     6.812   54.167   38.988
LGA    A    45_B      A    45_B     7.228     0    0.051   0.056     8.811   12.024   10.190
LGA    R    46_B      R    46_B     8.394     0    0.654   1.333    19.163    7.976    3.030
LGA    T    47_B      T    47_B     4.716     0    0.689   1.402     6.060   26.548   31.973
LGA    N    48_B      N    48_B     3.871     0    0.488   1.311     4.505   40.476   42.798
LGA    Q    49_B      Q    49_B     1.267     0    0.062   1.260     6.352   79.286   62.222
LGA    V    50_B      V    50_B     0.695     0    0.045   1.100     3.418   90.476   78.639
LGA    Y    51_B      Y    51_B     0.640     0    0.024   0.193     1.309   90.476   88.214
LGA    D    52_B      D    52_B     0.645     0    0.068   1.180     3.908   90.476   80.179
LGA    K    53_B      K    53_B     0.611     0    0.018   0.961     2.933   95.238   81.111
LGA    D    54_B      D    54_B     0.751     0    0.085   0.911     2.157   90.595   86.190
LGA    Q    55_B      Q    55_B     1.452     0    0.026   0.794     4.109   81.548   69.259
LGA    F    56_B      F    56_B     1.153     0    0.047   0.311     2.448   81.429   75.325
LGA    L    57_B      L    57_B     0.646     0    0.089   0.930     2.236   88.214   83.929
LGA    Q    58_B      Q    58_B     2.611     0    0.048   0.351     4.252   59.286   50.529
LGA    M    59_B      M    59_B     3.907     0    0.062   0.673     8.749   43.452   31.548
LGA    I    60_B      I    60_B     2.660     0    0.028   0.666     5.701   62.976   53.869
LGA    K    61_B      K    61_B     1.820     0    0.027   0.614     8.467   67.143   45.556
LGA    E    62_B      E    62_B     5.545     0    0.043   1.022    10.173   25.357   14.339
LGA    A    63_B      A    63_B     5.735     0    0.442   0.453     6.384   26.310   24.476
LGA    L    64_B      L    64_B     3.443     0    0.053   0.210     9.881   59.762   34.286
LGA    E    65_B      E    65_B     4.403     0    0.093   0.769     9.880   39.643   21.058
LGA    Q    66_B      Q    66_B     6.481     0    0.380   0.656    15.329   22.976   10.529
LGA    D    67_B      D    67_B     1.959     0    0.627   1.068     5.553   52.500   48.095
LGA    L    68_B      L    68_B     5.960     0    0.152   1.128    12.148   33.333   17.679
LGA    K    69_B      K    69_B     5.158     0    0.087   0.333     6.697   25.000   23.704
LGA    V    70_B      V    70_B     4.467     0    0.077   1.250     5.053   40.476   35.850
LGA    E    71_B      E    71_B     2.866     0    0.122   0.709     3.497   53.571   56.455
LGA    V    72_B      V    72_B     2.810     0    0.099   1.180     6.108   60.952   52.585
LGA    K    73_B      K    73_B     2.298     0    0.663   1.418     3.966   59.405   56.667
LGA    S    74_B      S    74_B     2.455     0    0.102   0.651     6.345   63.095   50.159
LGA    I    75_B      I    75_B     4.230     0    0.144   0.726     8.893   44.048   25.893
LGA    D    76_B      D    76_B     4.222     0    0.303   0.880     7.132   35.714   31.726
LGA    I    77_B      I    77_B     4.680     0    0.028   1.009     6.986   34.286   30.774
LGA    E    78_B      E    78_B     3.596     0    0.079   0.653     4.506   38.810   41.481
LGA    Q    79_B      Q    79_B     5.498     0    0.054   0.683    13.149   26.667   12.804
LGA    Q    80_B      Q    80_B     4.605     0    0.138   1.490     7.666   31.429   29.894
LGA    P    81_B      P    81_B     6.628     0    0.752   0.620     9.750   24.762   15.034
LGA    D    82_B      D    82_B     3.294     0    0.113   0.461     4.755   47.143   52.381
LGA    G    83_B      G    83_B     2.669     0    0.545   0.545     2.669   64.881   64.881
LGA    D    84_B      D    84_B     3.407     0    0.194   1.107     4.609   51.786   46.131
LGA    V    85_B      V    85_B     1.996     0    0.016   0.962     3.216   70.833   66.122
LGA    V    86_B      V    86_B     1.075     0    0.092   0.214     1.245   81.429   85.306
LGA    I    87_B      I    87_B     1.303     0    0.085   1.164     3.193   81.429   75.357
LGA    V    88_B      V    88_B     1.134     0    0.083   0.183     1.477   81.429   85.306
LGA    K    89_B      K    89_B     1.805     0    0.092   0.738     5.839   66.905   49.947
LGA    V    90_B      V    90_B     2.800     0    0.130   1.156     3.950   62.857   56.395
LGA    K    91_B      K    91_B     2.177     0    0.033   0.868     3.815   64.762   61.799
LGA    V    92_B      V    92_B     2.350     0    0.068   1.097     4.624   66.786   61.156
LGA    R    93_B      R    93_B     3.039     0    0.039   1.086    12.394   51.786   26.797
LGA    A    94_B      A    94_B     3.320     0    0.064   0.095     4.063   45.119   47.524
LGA    T    95_B      T    95_B     5.874     0    0.041   0.116     6.739   20.476   17.415
LGA    M    96_B      M    96_B     7.126     0    0.029   0.344     8.159    8.214   10.357
LGA    V    97_B      V    97_B     9.710     0    0.166   1.164    12.113    0.952    1.224
LGA    R    98_B      R    98_B    11.416     0    0.434   1.432    13.371    0.000    0.000
LGA    Q   101_B      Q   101_B    10.364     0    0.193   1.145    13.594    0.119    0.053
LGA    E   102_B      E   102_B     9.070     0    0.043   1.001     9.588    1.905    3.439
LGA    H   103_B      H   103_B     7.753     0    0.042   1.182    11.202   10.595    5.333
LGA    V   104_B      V   104_B     5.485     0    0.041   1.065     7.436   26.548   22.789
LGA    F   105_B      F   105_B     2.975     0    0.096   0.157     5.356   57.500   45.455
LGA    E   106_B      E   106_B     2.214     0    0.069   1.119     4.738   62.857   58.571
LGA    V   107_B      V   107_B     2.044     0    0.118   1.054     3.382   70.833   66.122
LGA    V   108_B      V   108_B     1.841     0    0.067   1.118     3.928   75.000   67.619
LGA    D   109_B      D   109_B     1.773     0    0.109   0.400     2.528   72.857   70.893
LGA    T   110_B      T   110_B     1.232     0    0.102   0.114     2.065   88.333   80.544
LGA    Y   111_B      Y   111_B     0.512     0    0.035   0.346     3.344   90.476   78.611
LGA    E   112_B      E   112_B     0.722     0    0.033   0.107     1.512   90.476   85.503
LGA    F   113_B      F   113_B     0.601     0    0.039   0.191     1.170   90.476   89.740
LGA    R   114_B      R   114_B     1.038     0    0.028   0.747     5.601   83.690   63.030
LGA    R   115_B      R   115_B     1.474     0    0.100   0.935     6.546   79.286   49.134
LGA    K   116_B      K   116_B     0.682     0    0.246   0.980     2.066   85.952   82.646
LGA    G   117_B      G   117_B     2.940     0    0.607   0.607     5.252   49.524   49.524
LGA    D   118_B      D   118_B     2.012     0    0.185   1.072     4.508   64.881   62.679
LGA    S   119_B      S   119_B     2.727     0    0.149   0.599     3.436   62.857   61.032
LGA    W   120_B      W   120_B     1.480     0    0.096   0.221     2.224   79.286   69.490
LGA    K   121_B      K   121_B     0.784     0    0.042   0.639     2.539   92.857   83.862
LGA    I   122_B      I   122_B     0.395     0    0.061   1.267     2.606   95.238   82.262
LGA    V   123_B      V   123_B     0.474     0    0.154   0.166     0.840   95.238   97.279
LGA    K   124_B      K   124_B     0.540     0    0.050   0.566     3.153   92.857   86.032
LGA    L   125_B      L   125_B     0.717     0    0.165   1.255     4.643   92.857   75.952
LGA    V   126_B      V   126_B     0.485     0    0.086   1.074     2.731   95.238   86.122
LGA    S   127_B      S   127_B     0.880     0    0.072   0.651     2.675   85.952   81.905
LGA    E   128_B      E   128_B     1.304     0    0.200   0.166     1.770   77.143   77.619
LGA    I   129_B      I   129_B     2.744     0    0.110   1.479     7.279   52.143   42.143
LGA    T   130_B      T   130_B     5.164     0    0.163   0.955     5.944   26.548   28.639
LGA    Q   131_B      Q   131_B     8.241     0    0.153   0.757    12.412    8.690    3.862
LGA    L   132_B      L   132_B     5.822     0    0.659   0.981     7.966   12.262   22.500
LGA    G   133_B      G   133_B    11.012     0    0.128   0.128    13.700    0.357    0.357
LGA    S   134_B      S   134_B    17.229     0    0.735   0.917    19.197    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     3.787          3.800                  4.513           61.631   55.469

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    101    2.12    65.873    61.857     4.544

LGA_LOCAL      RMSD:   2.123  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.993  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.787  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.325582 * X  +  -0.694550 * Y  +  -0.641558 * Z  +  62.787449
  Y_new =  -0.476119 * X  +   0.706656 * Y  +  -0.523401 * Z  +  45.390045
  Z_new =   0.816889 * X  +   0.135048 * Y  +  -0.560763 * Z  +  -7.423638 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.170583 -0.955996  2.905264   [DEG: -124.3653  -54.7746  166.4594 ]
ZXZ: -0.886478  2.166103  1.406958   [DEG:  -50.7915  124.1086   80.6128 ]
 
# END of job
