
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  132 , 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:   131       2_A - 132_A       4.67     5.05
  LCS_AVERAGE:     98.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      12_A - 88_A        1.99     5.40
  LCS_AVERAGE:     49.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      13_A - 74_A        0.96     5.55
  LCS_AVERAGE:     32.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     H     1_A     H     1_A      3    3   11      0    2    3    3    3    3    5   22   24   28   30   32   33   34   37   38   41   42   47  103 
LCS_GDT     H     2_A     H     2_A      4    4  131      3    4    5    5    6   18   18   22   24   28   30   32   33   34   37   38   69   81   92  103 
LCS_GDT     H     3_A     H     3_A      4    5  131      3    4    5    5    6   18   18   22   24   28   30   32   37   41   52   62   69  110  117  121 
LCS_GDT     H     4_A     H     4_A      4    5  131      3    4    5    5    6    6    6   22   24   28   30   32   33   34   37   38   41   81   92  103 
LCS_GDT     H     5_A     H     5_A      4    5  131      3    4    5    5    6   18   18   22   24   28   30   32   33   41   52   62   71   81  117  121 
LCS_GDT     H     6_A     H     6_A      4    5  131      3    3    4    4    4    6   10   14   24   30   33   39   47   51   57   62   71   78   93  114 
LCS_GDT     E     7_A     E     7_A      4    5  131      3    3    4    4    6    6    6    7   13   27   34   40   46   56   80  101  119  125  126  126 
LCS_GDT     N     8_A     N     8_A      4   68  131      3    3    5    5    8    9   28   33   40   62   90  111  123  125  125  125  125  125  126  126 
LCS_GDT     L     9_A     L     9_A      4   73  131      3    3    4    5   14   20   28   33  100  112  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Y    10_A     Y    10_A      3   75  131      3    3   22   33   47   86  114  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     F    11_A     F    11_A      5   76  131      3    4    7   10   28   49   89  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    12_A     Q    12_A     58   77  131      3    6   24   71   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    13_A     S    13_A     62   77  131      3   38   82   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    14_A     S    14_A     62   77  131     19   38   82   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    15_A     A    15_A     62   77  131     19   37   82   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K    16_A     K    16_A     62   77  131     19   38   82   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    17_A     Q    17_A     62   77  131     21   65   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D    18_A     D    18_A     62   77  131     21   48   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     F    19_A     F    19_A     62   77  131     21   49   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    20_A     A    20_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E    21_A     E    21_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     G    22_A     G    22_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     V    23_A     V    23_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K    24_A     K    24_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    25_A     L    25_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     W    26_A     W    26_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    27_A     Q    27_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E    28_A     E    28_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     N    29_A     N    29_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    30_A     A    30_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     V    31_A     V    31_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    32_A     L    32_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     W    33_A     W    33_A     62   77  131     21   65   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     T    34_A     T    34_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     R    35_A     R    35_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    36_A     L    36_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     V    37_A     V    37_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    38_A     Q    38_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    39_A     A    39_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     F    40_A     F    40_A     62   77  131     18   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    41_A     Q    41_A     62   77  131     21   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    42_A     S    42_A     62   77  131      5   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     G    43_A     G    43_A     62   77  131     26   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D    44_A     D    44_A     62   77  131     20   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    45_A     Q    45_A     62   77  131      3   36   78   91   93  109  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    46_A     S    46_A     62   77  131     25   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     T    47_A     T    47_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     V    48_A     V    48_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D    49_A     D    49_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    50_A     S    50_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    51_A     L    51_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    52_A     L    52_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K    53_A     K    53_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    54_A     Q    54_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    55_A     L    55_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D    56_A     D    56_A     62   77  131     25   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    57_A     A    57_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     N    58_A     N    58_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    59_A     A    59_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    60_A     A    60_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     R    61_A     R    61_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     V    62_A     V    62_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E    63_A     E    63_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    64_A     Q    64_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    65_A     L    65_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    66_A     L    66_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    67_A     Q    67_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     R    68_A     R    68_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     I    69_A     I    69_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     I    70_A     I    70_A     62   77  131     27   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    71_A     S    71_A     62   77  131     15   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E    72_A     E    72_A     62   77  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     T    73_A     T    73_A     62   77  131     19   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     G    74_A     G    74_A     62   77  131      3   18   75   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D    75_A     D    75_A     55   77  131      3   16   23   25   28   60  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E    76_A     E    76_A     25   77  131      7   20   23   30   73  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    77_A     L    77_A     25   77  131     14   20   23   28   69  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A    78_A     A    78_A     25   77  131     14   20   23   25   51  108  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     R    79_A     R    79_A     25   77  131     14   20   23   26   69  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K    80_A     K    80_A     25   77  131     14   20   24   35   90  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     G    81_A     G    81_A     25   77  131     14   20   23   30   70  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E    82_A     E    82_A     25   77  131     14   20   23   27   70  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    83_A     S    83_A     25   77  131     14   20   23   36   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    84_A     L    84_A     25   77  131     14   20   24   36   75  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     F    85_A     F    85_A     25   77  131     14   20   24   35   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    86_A     Q    86_A     25   77  131     14   20   26   50   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     R    87_A     R    87_A     25   77  131     14   20   26   42   70  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     N    88_A     N    88_A     25   77  131     14   20   26   38   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    89_A     Q    89_A     25   52  131     14   20   28   50   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    90_A     Q    90_A     26   52  131     14   20   28   42   61  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    91_A     L    91_A     26   52  131     14   20   27   42   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     F    92_A     F    92_A     26   52  131     14   20   29   50   79  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S    93_A     S    93_A     26   52  131      6   20   29   50   72  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q    94_A     Q    94_A     26   52  131      6   20   30   56   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    95_A     L    95_A     26   52  131      7   20   29   50   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K    96_A     K    96_A     26   52  131      6   20   29   50   76  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     T    97_A     T    97_A     26   52  131      6   20   29   50   84  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L    98_A     L    98_A     26   52  131      7   20   29   59   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     F    99_A     F    99_A     26   52  131      6   18   29   50   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S   100_A     S   100_A     26   52  131      4   18   29   40   52   81  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q   101_A     Q   101_A     26   52  131      4   20   29   42   61   83  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     G   102_A     G   102_A     26   52  131      4   20   30   50   81  112  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D   103_A     D   103_A     30   52  131      8   31   72   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E   104_A     E   104_A     30   52  131     12   65   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     D   105_A     D   105_A     30   52  131      4   65   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     T   106_A     T   106_A     30   52  131      8   65   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A   107_A     A   107_A     30   52  131      8   65   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K   108_A     K   108_A     30   52  131     10   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A   109_A     A   109_A     30   52  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     V   110_A     V   110_A     30   52  131      8   66   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L   111_A     L   111_A     30   52  131     10   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E   112_A     E   112_A     30   52  131     17   46   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E   113_A     E   113_A     30   52  131     17   22   79   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     I   114_A     I   114_A     30   52  131     15   60   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q   115_A     Q   115_A     30   52  131     15   66   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     S   116_A     S   116_A     30   52  131     17   22   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     N   117_A     N   117_A     30   52  131     17   22   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L   118_A     L   118_A     30   52  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     N   119_A     N   119_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q   120_A     Q   120_A     30   52  131     17   35   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     I   121_A     I   121_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q   122_A     Q   122_A     30   52  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q   123_A     Q   123_A     30   52  131     17   37   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     I   124_A     I   124_A     30   52  131     14   25   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     I   125_A     I   125_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     T   126_A     T   126_A     30   52  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     E   127_A     E   127_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     A   128_A     A   128_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     Q   129_A     Q   129_A     30   52  131     27   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     K   130_A     K   130_A     30   52  131     28   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     R   131_A     R   131_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_GDT     L   132_A     L   132_A     30   52  131     17   67   84   91   95  113  120  121  122  123  124  124  124  125  125  125  125  125  126  126 
LCS_AVERAGE  LCS_A:  59.88  (  32.07   49.02   98.55 )

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     28     67     84     91     95    113    120    121    122    123    124    124    124    125    125    125    125    125    126    126 
GDT PERCENT_AT  21.21  50.76  63.64  68.94  71.97  85.61  90.91  91.67  92.42  93.18  93.94  93.94  93.94  94.70  94.70  94.70  94.70  94.70  95.45  95.45
GDT RMS_LOCAL    0.33   0.74   0.90   1.01   1.26   1.96   2.11   2.15   2.17   2.21   2.30   2.30   2.30   2.47   2.47   2.47   2.47   2.47   2.81   2.81
GDT RMS_ALL_AT   5.62   5.50   5.54   5.59   5.55   5.54   5.55   5.53   5.56   5.54   5.51   5.51   5.51   5.46   5.46   5.46   5.46   5.46   5.37   5.37

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  D   103_A      D   103_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    25.348     0    0.010   0.051    26.917    0.000    0.000
LGA    H     2_A      H     2_A    24.562     0    0.620   1.375    26.275    0.000    0.000
LGA    H     3_A      H     3_A    20.207     0    0.206   0.256    21.472    0.000    0.000
LGA    H     4_A      H     4_A    22.754     0    0.339   1.173    25.568    0.000    0.000
LGA    H     5_A      H     5_A    19.804     0    0.686   1.103    20.722    0.000    0.000
LGA    H     6_A      H     6_A    21.006     0    0.330   1.383    24.573    0.000    0.000
LGA    E     7_A      E     7_A    16.186     0    0.049   0.962    19.823    0.000    0.000
LGA    N     8_A      N     8_A    10.741     0    0.361   1.076    12.655    0.119    2.560
LGA    L     9_A      L     9_A     7.431     0    0.548   1.448     8.883   10.000    9.167
LGA    Y    10_A      Y    10_A     4.568     0    0.425   0.373     9.904   31.786   17.500
LGA    F    11_A      F    11_A     5.090     0    0.661   1.291    10.455   34.524   14.805
LGA    Q    12_A      Q    12_A     2.915     0    0.579   0.940     4.916   47.262   48.571
LGA    S    13_A      S    13_A     1.222     0    0.061   0.639     3.310   81.429   76.190
LGA    S    14_A      S    14_A     1.358     0    0.056   0.637     3.358   81.429   76.190
LGA    A    15_A      A    15_A     1.270     0    0.024   0.023     1.412   81.429   81.429
LGA    K    16_A      K    16_A     1.333     0    0.068   0.664     2.649   81.429   76.825
LGA    Q    17_A      Q    17_A     0.810     0    0.032   1.301     4.167   90.595   73.545
LGA    D    18_A      D    18_A     0.641     0    0.043   0.141     1.010   90.476   89.345
LGA    F    19_A      F    19_A     0.669     0    0.069   1.315     5.926   90.476   67.532
LGA    A    20_A      A    20_A     0.558     0    0.043   0.042     0.656   95.238   94.286
LGA    E    21_A      E    21_A     0.346     0    0.042   1.041     4.116  100.000   77.989
LGA    G    22_A      G    22_A     0.186     0    0.057   0.057     0.210  100.000  100.000
LGA    V    23_A      V    23_A     0.161     0    0.066   0.066     0.446  100.000  100.000
LGA    K    24_A      K    24_A     0.197     0    0.025   0.610     2.193  100.000   92.169
LGA    L    25_A      L    25_A     0.214     0    0.031   0.041     0.284  100.000  100.000
LGA    W    26_A      W    26_A     0.236     0    0.014   1.235     8.678  100.000   52.245
LGA    Q    27_A      Q    27_A     0.324     0    0.014   0.745     1.913  100.000   93.968
LGA    E    28_A      E    28_A     0.364     0    0.028   0.389     1.233  100.000   96.878
LGA    N    29_A      N    29_A     0.311     0    0.047   0.229     0.610  100.000   97.619
LGA    A    30_A      A    30_A     0.436     0    0.030   0.031     0.490  100.000  100.000
LGA    V    31_A      V    31_A     0.393     0    0.045   0.055     0.455  100.000  100.000
LGA    L    32_A      L    32_A     0.508     0    0.050   0.052     0.727   95.238   92.857
LGA    W    33_A      W    33_A     0.457     0    0.031   1.178     7.670  100.000   56.531
LGA    T    34_A      T    34_A     0.344     0    0.027   0.026     0.481  100.000  100.000
LGA    R    35_A      R    35_A     0.184     0    0.040   1.157     6.258  100.000   70.909
LGA    L    36_A      L    36_A     0.295     0    0.018   0.899     2.328  100.000   91.012
LGA    V    37_A      V    37_A     0.265     0    0.010   0.033     0.309  100.000  100.000
LGA    Q    38_A      Q    38_A     0.139     0    0.050   0.471     1.314  100.000   95.873
LGA    A    39_A      A    39_A     0.147     0    0.030   0.028     0.609   97.619   98.095
LGA    F    40_A      F    40_A     0.799     0    0.020   1.315     5.754   90.476   67.965
LGA    Q    41_A      Q    41_A     0.600     0    0.046   0.609     1.723   90.476   90.688
LGA    S    42_A      S    42_A     1.180     0    0.073   0.076     1.693   81.548   83.016
LGA    G    43_A      G    43_A     1.600     0    0.047   0.047     2.093   72.976   72.976
LGA    D    44_A      D    44_A     1.292     0    0.281   1.079     3.791   69.405   67.619
LGA    Q    45_A      Q    45_A     2.514     0    0.171   1.524     5.077   64.881   56.032
LGA    S    46_A      S    46_A     1.647     0    0.044   0.046     1.949   75.000   74.286
LGA    T    47_A      T    47_A     1.984     0    0.064   0.114     2.131   72.857   70.544
LGA    V    48_A      V    48_A     1.914     0    0.036   0.046     2.025   72.857   71.701
LGA    D    49_A      D    49_A     1.710     0    0.048   1.043     3.479   72.857   67.976
LGA    S    50_A      S    50_A     1.699     0    0.060   0.685     2.423   72.857   71.508
LGA    L    51_A      L    51_A     1.817     0    0.053   0.091     1.881   72.857   72.857
LGA    L    52_A      L    52_A     1.719     0    0.045   0.063     1.936   72.857   73.929
LGA    K    53_A      K    53_A     1.929     0    0.035   0.066     2.111   72.857   69.259
LGA    Q    54_A      Q    54_A     1.836     0    0.044   0.632     3.356   72.857   69.418
LGA    L    55_A      L    55_A     1.532     0    0.033   0.077     1.783   72.857   79.405
LGA    D    56_A      D    56_A     2.016     0    0.029   0.889     4.562   70.833   59.107
LGA    A    57_A      A    57_A     1.853     0    0.012   0.011     1.868   72.857   72.857
LGA    N    58_A      N    58_A     1.780     0    0.010   0.081     1.941   72.857   72.857
LGA    A    59_A      A    59_A     1.804     0    0.036   0.034     1.823   72.857   72.857
LGA    A    60_A      A    60_A     1.940     0    0.045   0.044     1.991   72.857   72.857
LGA    R    61_A      R    61_A     1.666     0    0.052   1.175     5.861   72.857   58.268
LGA    V    62_A      V    62_A     1.766     0    0.043   0.047     2.010   72.857   71.701
LGA    E    63_A      E    63_A     1.790     0    0.047   0.900     4.224   72.857   59.048
LGA    Q    64_A      Q    64_A     1.900     0    0.041   0.200     2.295   72.857   70.159
LGA    L    65_A      L    65_A     1.614     0    0.027   0.168     1.735   72.857   77.202
LGA    L    66_A      L    66_A     1.798     0    0.044   0.090     1.937   72.857   73.929
LGA    Q    67_A      Q    67_A     2.003     0    0.042   0.485     2.925   68.810   66.614
LGA    R    68_A      R    68_A     1.926     0    0.019   1.187     3.964   72.857   71.342
LGA    I    69_A      I    69_A     1.785     0    0.020   0.044     1.932   72.857   73.929
LGA    I    70_A      I    70_A     2.142     0    0.035   0.040     2.490   64.762   64.762
LGA    S    71_A      S    71_A     2.109     0    0.030   0.645     2.220   64.762   66.111
LGA    E    72_A      E    72_A     2.163     0    0.068   0.081     2.283   64.762   65.661
LGA    T    73_A      T    73_A     1.981     0    0.559   1.314     3.560   67.143   63.129
LGA    G    74_A      G    74_A     2.325     0    0.155   0.155     4.304   56.190   56.190
LGA    D    75_A      D    75_A     4.911     0    0.312   1.102     6.784   38.810   27.024
LGA    E    76_A      E    76_A     3.262     0    0.077   0.737     3.919   48.333   50.159
LGA    L    77_A      L    77_A     3.870     0    0.079   1.128     6.708   43.333   36.548
LGA    A    78_A      A    78_A     4.236     0    0.027   0.027     4.634   40.238   38.476
LGA    R    79_A      R    79_A     3.661     0    0.021   0.976     4.928   46.667   47.359
LGA    K    80_A      K    80_A     3.139     0    0.056   0.837     3.247   50.000   54.180
LGA    G    81_A      G    81_A     3.602     0    0.053   0.053     3.602   48.333   48.333
LGA    E    82_A      E    82_A     3.513     0    0.047   0.081     4.540   45.000   41.376
LGA    S    83_A      S    83_A     3.624     0    0.104   0.101     3.680   48.333   47.778
LGA    L    84_A      L    84_A     3.348     0    0.038   1.098     4.374   50.000   50.179
LGA    F    85_A      F    85_A     3.436     0    0.041   1.217    10.455   50.000   26.753
LGA    Q    86_A      Q    86_A     3.400     0    0.056   0.609     4.313   48.333   46.349
LGA    R    87_A      R    87_A     3.682     0    0.041   1.137    10.225   45.000   27.273
LGA    N    88_A      N    88_A     3.451     0    0.060   0.901     3.845   50.000   48.333
LGA    Q    89_A      Q    89_A     3.425     0    0.040   0.824     4.625   46.667   44.233
LGA    Q    90_A      Q    90_A     3.967     0    0.036   0.611     5.419   43.333   39.365
LGA    L    91_A      L    91_A     3.551     0    0.107   1.404     5.281   46.667   49.107
LGA    F    92_A      F    92_A     3.228     0    0.092   0.075     3.652   50.000   48.788
LGA    S    93_A      S    93_A     3.705     0    0.117   0.109     3.968   46.667   45.556
LGA    Q    94_A      Q    94_A     2.719     0    0.044   1.546     7.539   55.357   42.381
LGA    L    95_A      L    95_A     2.757     0    0.023   1.411     4.208   57.143   60.774
LGA    K    96_A      K    96_A     3.225     0    0.031   0.052     3.653   50.000   48.519
LGA    T    97_A      T    97_A     3.241     0    0.056   0.063     3.532   50.000   49.048
LGA    L    98_A      L    98_A     2.545     0    0.018   0.092     2.897   57.143   63.988
LGA    F    99_A      F    99_A     2.809     0    0.150   1.313     4.246   48.690   56.234
LGA    S   100_A      S   100_A     4.296     0    0.097   0.665     4.556   37.262   38.254
LGA    Q   101_A      Q   101_A     3.996     0    0.216   0.646     5.936   41.786   34.392
LGA    G   102_A      G   102_A     3.338     0    0.142   0.142     3.727   48.333   48.333
LGA    D   103_A      D   103_A     2.115     0    0.209   0.329     3.269   68.810   65.952
LGA    E   104_A      E   104_A     1.526     0    0.094   0.122     1.925   72.857   73.810
LGA    D   105_A      D   105_A     1.598     0    0.034   0.146     1.833   72.857   75.000
LGA    T   106_A      T   106_A     1.772     0    0.056   1.094     4.262   75.000   65.714
LGA    A   107_A      A   107_A     1.303     0    0.039   0.042     1.546   79.286   79.714
LGA    K   108_A      K   108_A     1.803     0    0.059   1.020     9.516   70.833   45.926
LGA    A   109_A      A   109_A     2.029     0    0.063   0.057     2.323   68.810   69.619
LGA    V   110_A      V   110_A     1.609     0    0.067   0.086     1.812   72.857   76.531
LGA    L   111_A      L   111_A     1.620     0    0.051   0.083     1.759   72.857   76.071
LGA    E   112_A      E   112_A     2.146     0    0.058   0.062     2.537   66.786   64.815
LGA    E   113_A      E   113_A     2.171     0    0.037   0.123     2.754   64.762   63.915
LGA    I   114_A      I   114_A     1.682     0    0.019   0.056     1.861   72.857   75.000
LGA    Q   115_A      Q   115_A     1.607     0    0.019   1.133     4.686   72.857   60.635
LGA    S   116_A      S   116_A     1.987     0    0.072   0.686     4.421   70.833   64.206
LGA    N   117_A      N   117_A     1.713     0    0.042   0.234     2.760   77.143   72.024
LGA    L   118_A      L   118_A     1.119     0    0.045   1.401     2.974   83.690   75.417
LGA    N   119_A      N   119_A     1.384     0    0.058   0.062     2.109   81.429   76.131
LGA    Q   120_A      Q   120_A     1.532     0    0.060   0.062     2.871   79.286   69.577
LGA    I   121_A      I   121_A     1.270     0    0.012   0.049     1.665   81.429   78.214
LGA    Q   122_A      Q   122_A     1.054     0    0.045   0.722     5.460   81.429   64.127
LGA    Q   123_A      Q   123_A     1.498     0    0.035   0.165     2.763   81.429   70.529
LGA    I   124_A      I   124_A     1.569     0    0.012   0.681     3.301   79.286   71.190
LGA    I   125_A      I   125_A     1.387     0    0.029   0.112     2.135   81.429   76.131
LGA    T   126_A      T   126_A     1.167     0    0.051   0.047     1.548   81.429   80.204
LGA    E   127_A      E   127_A     0.963     0    0.056   1.074     4.851   90.476   71.217
LGA    A   128_A      A   128_A     1.275     0    0.049   0.045     1.400   81.429   81.429
LGA    Q   129_A      Q   129_A     1.404     0    0.043   1.264     5.650   79.286   60.423
LGA    K   130_A      K   130_A     1.137     0    0.037   0.063     1.866   81.429   79.524
LGA    R   131_A      R   131_A     1.256     0    0.071   1.246     6.944   79.286   55.931
LGA    L   132_A      L   132_A     1.418     0    0.334   0.425     1.943   79.286   79.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1072   1072  100.00               132
SUMMARY(RMSD_GDC):     5.035          4.972                  5.756           67.227   62.645

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    2.15    76.515    73.004     5.387

LGA_LOCAL      RMSD:   2.146  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.534  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   5.035  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.063865 * X  +   0.172886 * Y  +   0.982869 * Z  + -21.808870
  Y_new =   0.782093 * X  +  -0.620427 * Y  +   0.058314 * Z  +  -4.593521
  Z_new =   0.619880 * X  +   0.764971 * Y  +  -0.174836 * Z  +   5.268936 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.489319 -0.668590  1.795489   [DEG:   85.3317  -38.3074  102.8740 ]
ZXZ:  1.630057  1.746535  0.681009   [DEG:   93.3954  100.0691   39.0189 ]
 
# END of job
