
#######################################################
#                                                     #
#                        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:   132       1_A - 132_A       4.71     4.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.83     5.09
  LCS_AVERAGE:     88.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116      14_A - 129_A       1.00     5.26
  LCS_AVERAGE:     79.69

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    5  132      2    3    3    3    5    6    7    8    8    8    9   10   10   12   13   15   16   18   18   19 
LCS_GDT     H     2_A     H     2_A      3    5  132      3    3    4    5    5    6    7    8    8    8    9   10   11   14   15   15   16   18   18   24 
LCS_GDT     H     3_A     H     3_A      3    5  132      3    3    4    5    5    6    7    8    8    8   10   11   12   14   17   20   31   36   45   51 
LCS_GDT     H     4_A     H     4_A      3    5  132      3    3    4    5    5    6    7    8   13   17   18   24   30   33   37   51   57   84  121  129 
LCS_GDT     H     5_A     H     5_A      4    5  132      3    4    4    5    6    9   12   16   20   29   33   49   59   81  108  115  121  124  128  129 
LCS_GDT     H     6_A     H     6_A      4    4  132      3    4    4    4    5    6    7   10   17   23   28   31   44   51   60   80   96  121  128  129 
LCS_GDT     E     7_A     E     7_A      4    4  132      3    4    4    5    5    6    7    9    9   12   19   26   29   37   46   59   82  121  128  129 
LCS_GDT     N     8_A     N     8_A      4    4  132      3    4    4    4    5    6   43   58   73   93  107  118  125  125  125  125  125  125  128  129 
LCS_GDT     L     9_A     L     9_A      3  124  132      3    3    4    4    4    8   19   39   53   87   98  118  125  125  125  125  125  125  128  129 
LCS_GDT     Y    10_A     Y    10_A      3  124  132      3    3    4    5    5    8   16   32   73   87  111  122  125  125  125  125  125  125  128  129 
LCS_GDT     F    11_A     F    11_A      3  124  132      3    5   25   38   58   80  108  119  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    12_A     Q    12_A     73  124  132     25   46  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    13_A     S    13_A     73  124  132     14   73  109  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    14_A     S    14_A    116  124  132     19   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    15_A     A    15_A    116  124  132     26   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K    16_A     K    16_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    17_A     Q    17_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D    18_A     D    18_A    116  124  132     26   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     F    19_A     F    19_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    20_A     A    20_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E    21_A     E    21_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     G    22_A     G    22_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     V    23_A     V    23_A    116  124  132     18   60  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K    24_A     K    24_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    25_A     L    25_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     W    26_A     W    26_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    27_A     Q    27_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E    28_A     E    28_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     N    29_A     N    29_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    30_A     A    30_A    116  124  132     36   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     V    31_A     V    31_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    32_A     L    32_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     W    33_A     W    33_A    116  124  132     34   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     T    34_A     T    34_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     R    35_A     R    35_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    36_A     L    36_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     V    37_A     V    37_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    38_A     Q    38_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    39_A     A    39_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     F    40_A     F    40_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    41_A     Q    41_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    42_A     S    42_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     G    43_A     G    43_A    116  124  132     18   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D    44_A     D    44_A    116  124  132     13   80  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    45_A     Q    45_A    116  124  132     11   31   98  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    46_A     S    46_A    116  124  132     11   36   97  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     T    47_A     T    47_A    116  124  132     15   75  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     V    48_A     V    48_A    116  124  132     13   74  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D    49_A     D    49_A    116  124  132     13   39   98  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    50_A     S    50_A    116  124  132     15   59  103  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    51_A     L    51_A    116  124  132     13   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    52_A     L    52_A    116  124  132     13   67  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K    53_A     K    53_A    116  124  132     13   59  103  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    54_A     Q    54_A    116  124  132     13   80  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    55_A     L    55_A    116  124  132     13   80  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D    56_A     D    56_A    116  124  132     13   41   98  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    57_A     A    57_A    116  124  132     13   49  100  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     N    58_A     N    58_A    116  124  132     13   79  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    59_A     A    59_A    116  124  132     13   34   90  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    60_A     A    60_A    116  124  132     12   49   98  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     R    61_A     R    61_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     V    62_A     V    62_A    116  124  132     12   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E    63_A     E    63_A    116  124  132     12   64  109  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    64_A     Q    64_A    116  124  132     21   80  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    65_A     L    65_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    66_A     L    66_A    116  124  132     12   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    67_A     Q    67_A    116  124  132     17   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     R    68_A     R    68_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     I    69_A     I    69_A    116  124  132     23   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     I    70_A     I    70_A    116  124  132      8   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    71_A     S    71_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E    72_A     E    72_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     T    73_A     T    73_A    116  124  132     32   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     G    74_A     G    74_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D    75_A     D    75_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E    76_A     E    76_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    77_A     L    77_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A    78_A     A    78_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     R    79_A     R    79_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K    80_A     K    80_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     G    81_A     G    81_A    116  124  132     13   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E    82_A     E    82_A    116  124  132     13   80  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    83_A     S    83_A    116  124  132     20   45  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    84_A     L    84_A    116  124  132     20   70  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     F    85_A     F    85_A    116  124  132     24   70  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    86_A     Q    86_A    116  124  132     25   72  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     R    87_A     R    87_A    116  124  132     25   65  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     N    88_A     N    88_A    116  124  132     20   62  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    89_A     Q    89_A    116  124  132     25   78  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    90_A     Q    90_A    116  124  132     25   78  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    91_A     L    91_A    116  124  132     25   78  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     F    92_A     F    92_A    116  124  132     12   78  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S    93_A     S    93_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q    94_A     Q    94_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    95_A     L    95_A    116  124  132     25   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K    96_A     K    96_A    116  124  132     12   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     T    97_A     T    97_A    116  124  132     18   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L    98_A     L    98_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     F    99_A     F    99_A    116  124  132     14   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S   100_A     S   100_A    116  124  132     15   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q   101_A     Q   101_A    116  124  132     27   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     G   102_A     G   102_A    116  124  132     36   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D   103_A     D   103_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E   104_A     E   104_A    116  124  132     24   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     D   105_A     D   105_A    116  124  132     32   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     T   106_A     T   106_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A   107_A     A   107_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K   108_A     K   108_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A   109_A     A   109_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     V   110_A     V   110_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L   111_A     L   111_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E   112_A     E   112_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E   113_A     E   113_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     I   114_A     I   114_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q   115_A     Q   115_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     S   116_A     S   116_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     N   117_A     N   117_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L   118_A     L   118_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     N   119_A     N   119_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q   120_A     Q   120_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     I   121_A     I   121_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q   122_A     Q   122_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q   123_A     Q   123_A    116  124  132     36   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     I   124_A     I   124_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     I   125_A     I   125_A    116  124  132     37   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     T   126_A     T   126_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     E   127_A     E   127_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     A   128_A     A   128_A    116  124  132     30   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     Q   129_A     Q   129_A    116  124  132     23   82  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     K   130_A     K   130_A     82  124  132     20   68  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     R   131_A     R   131_A     82  124  132      8   68  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_GDT     L   132_A     L   132_A     82  124  132      8   40  110  121  121  121  121  121  122  122  122  122  125  125  125  125  125  125  128  129 
LCS_AVERAGE  LCS_A:  89.38  (  79.69   88.46  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     37     82    110    121    121    121    121    121    122    122    122    122    125    125    125    125    125    125    128    129 
GDT PERCENT_AT  28.03  62.12  83.33  91.67  91.67  91.67  91.67  91.67  92.42  92.42  92.42  92.42  94.70  94.70  94.70  94.70  94.70  94.70  96.97  97.73
GDT RMS_LOCAL    0.36   0.64   0.86   1.02   1.02   1.02   1.02   1.02   1.23   1.23   1.23   1.23   2.10   2.10   2.10   2.10   2.10   2.10   3.32   3.61
GDT RMS_ALL_AT   5.37   5.29   5.28   5.25   5.25   5.25   5.25   5.25   5.20   5.20   5.20   5.20   5.02   5.02   5.02   5.02   5.02   5.02   4.81   4.77

# Checking swapping
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  E    63_A      E    63_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    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    25.747     0    0.523   1.126    31.946    0.000    0.000
LGA    H     2_A      H     2_A    21.690     0    0.585   0.956    23.518    0.000    0.000
LGA    H     3_A      H     3_A    20.194     0    0.427   1.006    23.523    0.000    0.000
LGA    H     4_A      H     4_A    19.254     0    0.193   0.646    23.330    0.000    0.000
LGA    H     5_A      H     5_A    17.774     0    0.668   0.704    20.272    0.000    0.000
LGA    H     6_A      H     6_A    20.174     0    0.077   1.393    25.892    0.000    0.000
LGA    E     7_A      E     7_A    19.854     0    0.578   1.111    26.138    0.000    0.000
LGA    N     8_A      N     8_A    13.024     0    0.526   0.677    15.723    0.000    0.060
LGA    L     9_A      L     9_A    11.761     0    0.639   0.690    15.780    0.119    0.060
LGA    Y    10_A      Y    10_A    11.001     0    0.437   1.246    21.451    1.071    0.357
LGA    F    11_A      F    11_A     7.712     0    0.639   0.552    16.216   15.595    5.801
LGA    Q    12_A      Q    12_A     1.264     0    0.678   1.014     5.500   69.762   53.968
LGA    S    13_A      S    13_A     1.547     0    0.056   0.080     1.807   79.286   77.143
LGA    S    14_A      S    14_A     0.614     0    0.131   0.196     0.943   92.857   93.651
LGA    A    15_A      A    15_A     0.447     0    0.024   0.023     0.801   95.238   94.286
LGA    K    16_A      K    16_A     1.071     0    0.018   1.028     5.730   85.952   68.148
LGA    Q    17_A      Q    17_A     0.594     0    0.019   1.440     5.267   95.238   72.857
LGA    D    18_A      D    18_A     0.423     0    0.030   0.066     0.579   95.238   97.619
LGA    F    19_A      F    19_A     0.672     0    0.028   0.129     0.930   90.476   92.208
LGA    A    20_A      A    20_A     0.810     0    0.016   0.024     0.846   90.476   90.476
LGA    E    21_A      E    21_A     0.589     0    0.042   1.001     4.115   90.476   76.243
LGA    G    22_A      G    22_A     0.812     0    0.031   0.031     0.971   90.476   90.476
LGA    V    23_A      V    23_A     1.080     0    0.014   0.034     1.289   83.690   82.721
LGA    K    24_A      K    24_A     0.776     0    0.052   0.874     3.827   90.476   76.085
LGA    L    25_A      L    25_A     0.700     0    0.013   1.368     2.765   90.476   81.012
LGA    W    26_A      W    26_A     0.923     0    0.034   1.629     5.508   90.476   70.578
LGA    Q    27_A      Q    27_A     0.640     0    0.013   0.135     0.881   92.857   91.534
LGA    E    28_A      E    28_A     0.610     0    0.035   0.691     3.357   90.476   72.487
LGA    N    29_A      N    29_A     0.655     0    0.023   0.108     0.888   90.476   91.667
LGA    A    30_A      A    30_A     0.416     0    0.018   0.024     0.501   97.619   98.095
LGA    V    31_A      V    31_A     0.202     0    0.014   0.035     0.351  100.000  100.000
LGA    L    32_A      L    32_A     0.438     0    0.021   0.042     0.587   95.238   97.619
LGA    W    33_A      W    33_A     0.679     0    0.042   1.631     6.502   90.476   67.653
LGA    T    34_A      T    34_A     0.405     0    0.007   0.027     0.530   97.619   98.639
LGA    R    35_A      R    35_A     0.539     0    0.021   1.331     7.487   92.857   61.429
LGA    L    36_A      L    36_A     0.643     0    0.021   0.874     2.666   90.476   84.107
LGA    V    37_A      V    37_A     0.852     0    0.008   0.045     1.233   90.476   86.599
LGA    Q    38_A      Q    38_A     0.790     0    0.015   0.125     1.287   90.476   87.460
LGA    A    39_A      A    39_A     0.479     0    0.041   0.051     0.554   97.619   96.190
LGA    F    40_A      F    40_A     0.558     0    0.044   0.244     1.680   90.476   84.805
LGA    Q    41_A      Q    41_A     0.680     0    0.078   0.169     2.118   95.238   84.815
LGA    S    42_A      S    42_A     0.428     0    0.081   0.079     0.759   97.619   95.238
LGA    G    43_A      G    43_A     0.685     0    0.054   0.054     1.534   86.190   86.190
LGA    D    44_A      D    44_A     1.212     0    0.028   0.062     1.802   83.690   80.417
LGA    Q    45_A      Q    45_A     2.111     0    0.053   1.444     4.984   66.786   56.243
LGA    S    46_A      S    46_A     2.353     0    0.027   0.055     2.603   68.810   66.190
LGA    T    47_A      T    47_A     1.362     0    0.015   0.051     1.659   79.286   80.204
LGA    V    48_A      V    48_A     1.201     0    0.050   0.075     1.801   81.429   80.204
LGA    D    49_A      D    49_A     2.048     0    0.032   0.095     3.021   68.810   63.036
LGA    S    50_A      S    50_A     1.744     0    0.017   0.663     3.310   77.143   71.905
LGA    L    51_A      L    51_A     0.905     0    0.043   0.066     1.186   88.214   89.345
LGA    L    52_A      L    52_A     1.347     0    0.046   0.071     1.707   79.286   78.214
LGA    K    53_A      K    53_A     1.637     0    0.029   0.099     1.971   72.857   72.857
LGA    Q    54_A      Q    54_A     1.195     0    0.013   0.675     2.177   81.429   79.630
LGA    L    55_A      L    55_A     1.109     0    0.030   0.208     1.580   79.286   82.619
LGA    D    56_A      D    56_A     1.967     0    0.022   0.741     3.504   70.833   63.214
LGA    A    57_A      A    57_A     1.864     0    0.045   0.042     1.934   72.857   72.857
LGA    N    58_A      N    58_A     1.169     0    0.048   0.120     1.393   81.429   87.143
LGA    A    59_A      A    59_A     2.017     0    0.046   0.060     2.416   66.786   66.381
LGA    A    60_A      A    60_A     2.154     0    0.022   0.024     2.476   68.810   68.000
LGA    R    61_A      R    61_A     0.825     0    0.019   1.096     6.489   90.595   69.394
LGA    V    62_A      V    62_A     1.043     0    0.031   0.053     2.087   83.690   77.891
LGA    E    63_A      E    63_A     1.481     0    0.015   0.228     2.116   81.429   76.720
LGA    Q    64_A      Q    64_A     1.113     0    0.026   0.152     1.868   85.952   79.630
LGA    L    65_A      L    65_A     0.453     0    0.051   0.136     1.070   92.857   91.726
LGA    L    66_A      L    66_A     1.014     0    0.070   0.145     1.755   88.214   82.679
LGA    Q    67_A      Q    67_A     0.881     0    0.038   0.071     1.502   90.476   84.497
LGA    R    68_A      R    68_A     0.377     0    0.068   1.036     4.987   97.619   79.870
LGA    I    69_A      I    69_A     0.643     0    0.032   0.067     0.975   90.476   90.476
LGA    I    70_A      I    70_A     0.804     0    0.012   0.032     1.034   90.476   89.345
LGA    S    71_A      S    71_A     0.550     0    0.037   0.685     1.851   90.476   89.127
LGA    E    72_A      E    72_A     0.616     0    0.088   0.171     0.689   90.476   92.593
LGA    T    73_A      T    73_A     0.813     0    0.169   1.139     3.366   88.214   79.728
LGA    G    74_A      G    74_A     0.830     0    0.084   0.084     0.913   90.476   90.476
LGA    D    75_A      D    75_A     0.876     0    0.036   0.461     2.369   90.476   86.131
LGA    E    76_A      E    76_A     0.866     0    0.025   0.847     4.700   90.476   72.487
LGA    L    77_A      L    77_A     0.540     0    0.047   0.081     0.698   90.476   94.048
LGA    A    78_A      A    78_A     0.701     0    0.048   0.061     0.910   90.476   90.476
LGA    R    79_A      R    79_A     0.960     0    0.030   1.439     7.327   85.952   60.000
LGA    K    80_A      K    80_A     0.777     0    0.023   0.055     0.861   90.476   90.476
LGA    G    81_A      G    81_A     0.757     0    0.047   0.047     0.981   90.476   90.476
LGA    E    82_A      E    82_A     1.207     0    0.013   0.361     1.659   81.548   81.534
LGA    S    83_A      S    83_A     1.595     0    0.082   0.563     2.498   75.000   72.937
LGA    L    84_A      L    84_A     1.497     0    0.013   0.073     1.565   75.000   78.214
LGA    F    85_A      F    85_A     1.545     0    0.078   1.270     6.685   72.857   52.511
LGA    Q    86_A      Q    86_A     1.499     0    0.037   0.909     3.400   79.286   75.079
LGA    R    87_A      R    87_A     1.619     0    0.017   1.064     6.908   72.857   55.758
LGA    N    88_A      N    88_A     1.609     0    0.032   0.262     1.682   72.857   76.071
LGA    Q    89_A      Q    89_A     1.459     0    0.027   0.511     1.742   79.286   79.524
LGA    Q    90_A      Q    90_A     1.431     0    0.053   0.085     1.541   81.429   80.476
LGA    L    91_A      L    91_A     1.457     0    0.077   0.095     1.586   79.286   78.214
LGA    F    92_A      F    92_A     1.438     0    0.017   1.035     3.121   81.429   78.009
LGA    S    93_A      S    93_A     1.227     0    0.073   0.687     1.622   85.952   83.016
LGA    Q    94_A      Q    94_A     0.822     0    0.039   0.877     3.071   90.595   77.672
LGA    L    95_A      L    95_A     1.105     0    0.061   1.372     2.561   81.429   77.440
LGA    K    96_A      K    96_A     1.008     0    0.045   0.904     5.581   85.952   63.651
LGA    T    97_A      T    97_A     0.594     0    0.043   0.079     0.734   92.857   93.197
LGA    L    98_A      L    98_A     0.296     0    0.030   0.065     0.717  100.000   98.810
LGA    F    99_A      F    99_A     0.692     0    0.089   0.360     1.381   90.476   88.831
LGA    S   100_A      S   100_A     0.656     0    0.089   0.698     1.837   90.476   87.540
LGA    Q   101_A      Q   101_A     0.487     0    0.129   0.226     1.500   97.619   93.704
LGA    G   102_A      G   102_A     0.327     0    0.084   0.084     0.665   97.619   97.619
LGA    D   103_A      D   103_A     0.317     0    0.018   0.103     0.813   97.619   95.238
LGA    E   104_A      E   104_A     0.942     0    0.071   0.121     1.878   90.476   82.593
LGA    D   105_A      D   105_A     0.755     0    0.011   0.147     1.305   90.476   89.345
LGA    T   106_A      T   106_A     0.616     0    0.010   0.118     0.897   90.476   90.476
LGA    A   107_A      A   107_A     0.569     0    0.018   0.025     0.637   90.476   90.476
LGA    K   108_A      K   108_A     0.659     0    0.019   0.556     2.444   90.476   88.677
LGA    A   109_A      A   109_A     0.663     0    0.028   0.042     0.681   90.476   90.476
LGA    V   110_A      V   110_A     0.570     0    0.013   0.042     0.758   90.476   90.476
LGA    L   111_A      L   111_A     0.592     0    0.031   0.045     0.646   90.476   90.476
LGA    E   112_A      E   112_A     0.506     0    0.019   0.079     0.846   92.857   92.593
LGA    E   113_A      E   113_A     0.678     0    0.014   0.089     1.419   90.476   86.455
LGA    I   114_A      I   114_A     0.713     0    0.035   0.063     1.088   90.476   89.345
LGA    Q   115_A      Q   115_A     0.435     0    0.042   0.967     3.945   95.238   80.529
LGA    S   116_A      S   116_A     0.639     0    0.088   0.566     2.093   90.476   86.190
LGA    N   117_A      N   117_A     0.805     0    0.015   0.040     1.200   90.476   87.083
LGA    L   118_A      L   118_A     0.721     0    0.040   0.060     1.102   90.476   88.214
LGA    N   119_A      N   119_A     0.389     0    0.017   0.060     0.657  100.000   98.810
LGA    Q   120_A      Q   120_A     0.419     0    0.027   0.063     0.797  100.000   94.709
LGA    I   121_A      I   121_A     0.454     0    0.028   0.057     1.090  100.000   94.107
LGA    Q   122_A      Q   122_A     0.376     0    0.021   0.891     3.374  100.000   84.974
LGA    Q   123_A      Q   123_A     0.486     0    0.043   0.171     1.110   97.619   91.640
LGA    I   124_A      I   124_A     0.548     0    0.038   0.638     1.733   95.238   90.655
LGA    I   125_A      I   125_A     0.325     0    0.006   0.047     1.085  100.000   94.107
LGA    T   126_A      T   126_A     0.596     0    0.068   0.110     1.277   92.857   90.544
LGA    E   127_A      E   127_A     0.606     0    0.067   0.989     3.760   90.476   76.720
LGA    A   128_A      A   128_A     0.483     0    0.029   0.046     0.818   95.238   96.190
LGA    Q   129_A      Q   129_A     0.873     0    0.026   1.228     5.547   85.952   65.926
LGA    K   130_A      K   130_A     1.321     0    0.106   0.106     1.918   81.429   76.667
LGA    R   131_A      R   131_A     1.360     0    0.083   1.325     4.752   81.429   72.468
LGA    L   132_A      L   132_A     1.375     0    0.356   0.421     2.438   75.119   82.857

# 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):     4.709          4.572                  5.716           80.474   75.938

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.02    85.038    88.419    10.817

LGA_LOCAL      RMSD:   1.019  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.253  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   4.709  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.805163 * X  +   0.077558 * Y  +  -0.587961 * Z  + -21.168653
  Y_new =   0.170566 * X  +  -0.979807 * Y  +   0.104329 * Z  +  13.059093
  Z_new =  -0.567997 * X  +  -0.184288 * Y  +  -0.802133 * Z  +  -6.567691 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.208755  0.604070 -2.915764   [DEG:   11.9608   34.6106 -167.0610 ]
ZXZ: -1.746411  2.501655 -1.884534   [DEG: -100.0620  143.3343 -107.9758 ]
 
# END of job
