
#######################################################
#                                                     #
#                        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       4.58     5.19
  LCS_AVERAGE:     98.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.86     5.60
  LCS_AVERAGE:     88.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      53_A - 131_A       1.00     5.78
  LONGEST_CONTINUOUS_SEGMENT:    79      54_A - 132_A       0.99     5.79
  LCS_AVERAGE:     53.48

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      4    8   10      3    5    6    6    6    7    8    8    8    8    8    8    9   10   10   10   13   13   15   16 
LCS_GDT     H     2_A     H     2_A      4    8  131      3    5    6    6    6    7    8    8    8    8    8    8    9   10   14   15   16   17   18   19 
LCS_GDT     H     3_A     H     3_A      4    8  131      3    5    6    6    6    7    8    8    8    8    8   10   13   13   14   15   23   24   26   28 
LCS_GDT     H     4_A     H     4_A      4    8  131      3    5    6    6    6    7    8    8   12   13   17   21   26   31   40   47   59   81   94  122 
LCS_GDT     H     5_A     H     5_A      4    8  131      4    4    5    5    6    7   11   12   15   21   25   31   41   46   66   97  114  119  124  126 
LCS_GDT     H     6_A     H     6_A      4    8  131      4    5    6    6    6    7    8   12   15   22   26   33   42   51   67   77  103  112  123  126 
LCS_GDT     E     7_A     E     7_A      4    8  131      4    5    6    6    6    7    8    9   10   18   24   31   36   52   84  103  111  117  126  126 
LCS_GDT     N     8_A     N     8_A      4    8  131      4    4    4    5    6    7   40   50   66   90  106  119  125  125  125  125  125  125  126  126 
LCS_GDT     L     9_A     L     9_A      3  124  131      3    3    3    5    5    5   12   21   38   66   83  115  125  125  125  125  125  125  126  126 
LCS_GDT     Y    10_A     Y    10_A      3  124  131      3    3    3    5    6   13   21   50   63   76  115  120  125  125  125  125  125  125  126  126 
LCS_GDT     F    11_A     F    11_A      3  124  131      3   14   26   39   61   90  112  120  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    12_A     Q    12_A     72  124  131     24   42  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    13_A     S    13_A     72  124  131     13   60  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    14_A     S    14_A     72  124  131     21   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    15_A     A    15_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K    16_A     K    16_A     72  124  131     25   78  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    17_A     Q    17_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D    18_A     D    18_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     F    19_A     F    19_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    20_A     A    20_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E    21_A     E    21_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     G    22_A     G    22_A     72  124  131     23   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     V    23_A     V    23_A     72  124  131     21   78  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K    24_A     K    24_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    25_A     L    25_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     W    26_A     W    26_A     72  124  131     23   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    27_A     Q    27_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E    28_A     E    28_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     N    29_A     N    29_A     72  124  131     25   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    30_A     A    30_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     V    31_A     V    31_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    32_A     L    32_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     W    33_A     W    33_A     72  124  131     37   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     T    34_A     T    34_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     R    35_A     R    35_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    36_A     L    36_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     V    37_A     V    37_A     72  124  131     36   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    38_A     Q    38_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    39_A     A    39_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     F    40_A     F    40_A     72  124  131     26   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    41_A     Q    41_A     72  124  131     36   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    42_A     S    42_A     72  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     G    43_A     G    43_A     72  124  131     19   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D    44_A     D    44_A     72  124  131     19   77  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    45_A     Q    45_A     72  124  131     13   36   92  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    46_A     S    46_A     72  124  131     13   36   86  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     T    47_A     T    47_A     72  124  131     19   62  104  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     V    48_A     V    48_A     72  124  131     13   70  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D    49_A     D    49_A     72  124  131     13   37   87  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    50_A     S    50_A     72  124  131     19   57   97  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    51_A     L    51_A     72  124  131     19   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    52_A     L    52_A     78  124  131     19   59  101  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K    53_A     K    53_A     79  124  131     19   57   99  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    54_A     Q    54_A     79  124  131     19   69  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    55_A     L    55_A     79  124  131     19   78  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D    56_A     D    56_A     79  124  131     19   39   94  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    57_A     A    57_A     79  124  131     19   53   99  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     N    58_A     N    58_A     79  124  131     19   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    59_A     A    59_A     79  124  131     19   37   94  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    60_A     A    60_A     79  124  131     19   47   95  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     R    61_A     R    61_A     79  124  131     15   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     V    62_A     V    62_A     79  124  131     12   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E    63_A     E    63_A     79  124  131     17   52  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    64_A     Q    64_A     79  124  131     15   74  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    65_A     L    65_A     79  124  131     27   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    66_A     L    66_A     79  124  131     12   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    67_A     Q    67_A     79  124  131     15   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     R    68_A     R    68_A     79  124  131     27   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     I    69_A     I    69_A     79  124  131     27   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     I    70_A     I    70_A     79  124  131      8   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    71_A     S    71_A     79  124  131     27   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E    72_A     E    72_A     79  124  131     27   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     T    73_A     T    73_A     79  124  131     11   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     G    74_A     G    74_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D    75_A     D    75_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E    76_A     E    76_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    77_A     L    77_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A    78_A     A    78_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     R    79_A     R    79_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K    80_A     K    80_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     G    81_A     G    81_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E    82_A     E    82_A     79  124  131     16   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    83_A     S    83_A     79  124  131     24   72  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    84_A     L    84_A     79  124  131     30   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     F    85_A     F    85_A     79  124  131     30   72  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    86_A     Q    86_A     79  124  131     30   72  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     R    87_A     R    87_A     79  124  131     30   72  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     N    88_A     N    88_A     79  124  131     30   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    89_A     Q    89_A     79  124  131     36   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    90_A     Q    90_A     79  124  131     36   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    91_A     L    91_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     F    92_A     F    92_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S    93_A     S    93_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q    94_A     Q    94_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    95_A     L    95_A     79  124  131     23   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K    96_A     K    96_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     T    97_A     T    97_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L    98_A     L    98_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     F    99_A     F    99_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S   100_A     S   100_A     79  124  131     14   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q   101_A     Q   101_A     79  124  131     23   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     G   102_A     G   102_A     79  124  131     22   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D   103_A     D   103_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E   104_A     E   104_A     79  124  131     27   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     D   105_A     D   105_A     79  124  131     31   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     T   106_A     T   106_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A   107_A     A   107_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K   108_A     K   108_A     79  124  131     36   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A   109_A     A   109_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     V   110_A     V   110_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L   111_A     L   111_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E   112_A     E   112_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E   113_A     E   113_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     I   114_A     I   114_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q   115_A     Q   115_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     S   116_A     S   116_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     N   117_A     N   117_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L   118_A     L   118_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     N   119_A     N   119_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q   120_A     Q   120_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     I   121_A     I   121_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q   122_A     Q   122_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q   123_A     Q   123_A     79  124  131     35   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     I   124_A     I   124_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     I   125_A     I   125_A     79  124  131     38   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     T   126_A     T   126_A     79  124  131     30   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     E   127_A     E   127_A     79  124  131     30   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     A   128_A     A   128_A     79  124  131     30   82  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     Q   129_A     Q   129_A     79  124  131     19   79  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     K   130_A     K   130_A     79  124  131     19   44  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     R   131_A     R   131_A     79  124  131      8   39  106  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_GDT     L   132_A     L   132_A     79  124  131      3   36   87  120  121  121  121  121  122  122  122  122  125  125  125  125  125  125  126  126 
LCS_AVERAGE  LCS_A:  80.22  (  53.48   88.61   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     38     82    106    120    121    121    121    121    122    122    122    122    125    125    125    125    125    125    126    126 
GDT PERCENT_AT  28.79  62.12  80.30  90.91  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  95.45  95.45
GDT RMS_LOCAL    0.38   0.68   0.86   1.07   1.09   1.09   1.09   1.09   1.27   1.27   1.27   1.27   2.11   2.11   2.11   2.11   2.11   2.11   2.62   2.62
GDT RMS_ALL_AT   5.80   5.80   5.77   5.75   5.75   5.75   5.75   5.75   5.70   5.70   5.70   5.70   5.54   5.54   5.54   5.54   5.54   5.54   5.45   5.45

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   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    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    30.624     0    0.123   1.049    35.661    0.000    0.000
LGA    H     2_A      H     2_A    26.205     0    0.122   0.546    28.759    0.000    0.000
LGA    H     3_A      H     3_A    22.948     0    0.198   0.616    25.151    0.000    0.000
LGA    H     4_A      H     4_A    20.719     0    0.418   0.591    22.081    0.000    0.000
LGA    H     5_A      H     5_A    19.395     0    0.299   0.689    22.638    0.000    0.000
LGA    H     6_A      H     6_A    20.466     0    0.070   1.482    26.122    0.000    0.000
LGA    E     7_A      E     7_A    19.419     0    0.608   0.652    23.901    0.000    0.000
LGA    N     8_A      N     8_A    12.566     0    0.513   0.805    15.187    0.000    0.238
LGA    L     9_A      L     9_A    11.769     0    0.648   0.656    15.843    0.000    0.000
LGA    Y    10_A      Y    10_A    10.978     0    0.461   1.294    21.234    1.071    0.357
LGA    F    11_A      F    11_A     7.447     0    0.631   0.494    15.719   17.619    6.667
LGA    Q    12_A      Q    12_A     1.319     0    0.663   1.015     5.475   71.429   53.228
LGA    S    13_A      S    13_A     1.633     0    0.062   0.080     1.928   79.286   77.143
LGA    S    14_A      S    14_A     0.581     0    0.124   0.172     0.956   92.857   93.651
LGA    A    15_A      A    15_A     0.563     0    0.023   0.024     0.889   92.857   92.381
LGA    K    16_A      K    16_A     1.081     0    0.019   0.977     5.534   85.952   68.836
LGA    Q    17_A      Q    17_A     0.602     0    0.021   1.422     5.193   92.857   71.799
LGA    D    18_A      D    18_A     0.473     0    0.031   0.073     0.641   95.238   96.429
LGA    F    19_A      F    19_A     0.756     0    0.020   0.133     0.954   90.476   90.476
LGA    A    20_A      A    20_A     0.811     0    0.024   0.024     0.901   90.476   90.476
LGA    E    21_A      E    21_A     0.609     0    0.054   1.002     4.205   90.476   74.392
LGA    G    22_A      G    22_A     0.847     0    0.025   0.025     0.990   90.476   90.476
LGA    V    23_A      V    23_A     1.068     0    0.018   0.042     1.249   83.690   82.721
LGA    K    24_A      K    24_A     0.667     0    0.053   0.603     2.108   90.476   85.661
LGA    L    25_A      L    25_A     0.679     0    0.010   1.371     3.007   90.476   79.048
LGA    W    26_A      W    26_A     0.909     0    0.033   1.621     5.390   90.476   71.531
LGA    Q    27_A      Q    27_A     0.516     0    0.020   0.093     0.664   95.238   92.593
LGA    E    28_A      E    28_A     0.524     0    0.033   0.673     3.154   90.476   74.868
LGA    N    29_A      N    29_A     0.666     0    0.023   0.078     0.823   90.476   90.476
LGA    A    30_A      A    30_A     0.470     0    0.015   0.025     0.524   97.619   98.095
LGA    V    31_A      V    31_A     0.372     0    0.014   0.036     0.513   97.619   98.639
LGA    L    32_A      L    32_A     0.604     0    0.024   0.034     0.682   92.857   91.667
LGA    W    33_A      W    33_A     0.711     0    0.046   1.613     6.317   90.476   67.891
LGA    T    34_A      T    34_A     0.466     0    0.009   0.048     0.639   92.857   95.918
LGA    R    35_A      R    35_A     0.698     0    0.020   1.364     8.129   90.476   58.268
LGA    L    36_A      L    36_A     0.774     0    0.021   0.864     2.785   90.476   84.107
LGA    V    37_A      V    37_A     0.935     0    0.016   0.047     1.205   90.476   86.599
LGA    Q    38_A      Q    38_A     0.822     0    0.019   0.182     1.305   90.476   89.471
LGA    A    39_A      A    39_A     0.648     0    0.013   0.018     0.847   90.476   90.476
LGA    F    40_A      F    40_A     0.857     0    0.043   0.280     1.660   90.476   83.160
LGA    Q    41_A      Q    41_A     0.836     0    0.062   0.108     2.165   92.857   82.751
LGA    S    42_A      S    42_A     0.491     0    0.119   0.116     1.141   90.595   90.556
LGA    G    43_A      G    43_A     0.928     0    0.062   0.062     1.689   86.190   86.190
LGA    D    44_A      D    44_A     1.342     0    0.029   0.057     1.994   79.286   77.143
LGA    Q    45_A      Q    45_A     2.349     0    0.060   0.843     3.043   66.786   61.481
LGA    S    46_A      S    46_A     2.604     0    0.031   0.589     3.255   62.857   59.762
LGA    T    47_A      T    47_A     1.495     0    0.016   0.050     1.857   79.286   78.980
LGA    V    48_A      V    48_A     1.329     0    0.057   0.086     1.990   77.143   76.531
LGA    D    49_A      D    49_A     2.355     0    0.032   0.103     3.554   66.786   58.452
LGA    S    50_A      S    50_A     1.978     0    0.013   0.661     3.657   70.833   65.238
LGA    L    51_A      L    51_A     0.945     0    0.030   0.066     1.310   85.952   88.214
LGA    L    52_A      L    52_A     1.563     0    0.058   0.080     2.248   75.000   72.917
LGA    K    53_A      K    53_A     1.825     0    0.028   0.120     2.342   72.857   69.259
LGA    Q    54_A      Q    54_A     1.242     0    0.017   0.735     1.998   81.429   79.524
LGA    L    55_A      L    55_A     1.166     0    0.022   0.086     1.658   77.143   82.679
LGA    D    56_A      D    56_A     2.150     0    0.025   0.820     3.837   66.786   61.190
LGA    A    57_A      A    57_A     1.864     0    0.035   0.033     1.918   72.857   72.857
LGA    N    58_A      N    58_A     1.025     0    0.039   0.150     1.273   81.429   88.333
LGA    A    59_A      A    59_A     1.978     0    0.049   0.060     2.389   68.810   68.000
LGA    A    60_A      A    60_A     2.193     0    0.018   0.026     2.517   68.810   66.476
LGA    R    61_A      R    61_A     0.851     0    0.022   1.088     6.404   90.595   70.000
LGA    V    62_A      V    62_A     1.118     0    0.032   0.069     2.216   83.690   77.891
LGA    E    63_A      E    63_A     1.628     0    0.022   0.273     2.598   79.286   72.169
LGA    Q    64_A      Q    64_A     1.276     0    0.021   0.064     2.212   83.690   77.725
LGA    L    65_A      L    65_A     0.573     0    0.044   0.180     1.287   90.476   89.345
LGA    L    66_A      L    66_A     1.128     0    0.069   0.127     1.917   83.690   80.417
LGA    Q    67_A      Q    67_A     1.130     0    0.052   0.915     2.683   85.952   79.788
LGA    R    68_A      R    68_A     0.623     0    0.070   1.046     5.467   90.476   73.160
LGA    I    69_A      I    69_A     0.767     0    0.033   0.065     1.049   90.476   88.214
LGA    I    70_A      I    70_A     0.901     0    0.010   0.039     1.121   90.476   87.083
LGA    S    71_A      S    71_A     0.560     0    0.037   0.689     1.810   90.476   89.127
LGA    E    72_A      E    72_A     0.653     0    0.104   0.167     0.780   90.476   91.534
LGA    T    73_A      T    73_A     0.834     0    0.169   1.136     3.400   88.214   79.728
LGA    G    74_A      G    74_A     0.772     0    0.091   0.091     0.956   90.476   90.476
LGA    D    75_A      D    75_A     0.763     0    0.038   0.493     2.126   90.476   88.452
LGA    E    76_A      E    76_A     0.767     0    0.026   1.047     5.001   90.476   73.598
LGA    L    77_A      L    77_A     0.461     0    0.037   0.073     0.618   95.238   97.619
LGA    A    78_A      A    78_A     0.631     0    0.048   0.058     0.822   90.476   90.476
LGA    R    79_A      R    79_A     0.865     0    0.029   1.448     7.218   88.214   60.866
LGA    K    80_A      K    80_A     0.724     0    0.031   0.803     4.172   90.476   74.709
LGA    G    81_A      G    81_A     0.721     0    0.041   0.041     0.943   90.476   90.476
LGA    E    82_A      E    82_A     1.227     0    0.014   0.427     2.054   81.548   79.630
LGA    S    83_A      S    83_A     1.539     0    0.084   0.562     2.432   79.286   75.794
LGA    L    84_A      L    84_A     1.341     0    0.019   0.037     1.415   81.429   81.429
LGA    F    85_A      F    85_A     1.488     0    0.079   1.281     6.944   77.143   53.203
LGA    Q    86_A      Q    86_A     1.583     0    0.039   0.841     3.325   72.857   70.317
LGA    R    87_A      R    87_A     1.567     0    0.018   0.071     2.007   72.857   72.121
LGA    N    88_A      N    88_A     1.439     0    0.024   0.099     1.466   81.429   81.429
LGA    Q    89_A      Q    89_A     1.469     0    0.026   0.695     2.310   77.143   76.720
LGA    Q    90_A      Q    90_A     1.541     0    0.057   0.115     1.727   75.000   73.810
LGA    L    91_A      L    91_A     1.550     0    0.069   0.098     1.663   75.000   75.000
LGA    F    92_A      F    92_A     1.543     0    0.010   1.126     4.414   77.143   67.446
LGA    S    93_A      S    93_A     1.307     0    0.064   0.679     1.463   83.690   82.937
LGA    Q    94_A      Q    94_A     0.955     0    0.043   0.893     3.370   88.214   75.608
LGA    L    95_A      L    95_A     1.159     0    0.048   1.380     2.640   81.429   76.369
LGA    K    96_A      K    96_A     1.031     0    0.055   0.863     5.334   85.952   64.180
LGA    T    97_A      T    97_A     0.620     0    0.033   0.057     0.759   90.476   91.837
LGA    L    98_A      L    98_A     0.481     0    0.020   0.061     0.739   95.238   94.048
LGA    F    99_A      F    99_A     0.716     0    0.093   0.195     1.398   90.476   88.009
LGA    S   100_A      S   100_A     0.600     0    0.090   0.092     0.661   92.857   92.063
LGA    Q   101_A      Q   101_A     0.557     0    0.125   0.170     1.074   90.476   92.646
LGA    G   102_A      G   102_A     0.611     0    0.075   0.075     0.783   90.476   90.476
LGA    D   103_A      D   103_A     0.544     0    0.019   0.116     0.818   92.857   92.857
LGA    E   104_A      E   104_A     1.207     0    0.068   0.116     2.270   83.690   74.974
LGA    D   105_A      D   105_A     1.055     0    0.010   0.197     1.944   85.952   82.619
LGA    T   106_A      T   106_A     0.706     0    0.006   0.105     0.942   90.476   90.476
LGA    A   107_A      A   107_A     0.677     0    0.021   0.026     0.739   90.476   90.476
LGA    K   108_A      K   108_A     0.803     0    0.019   0.535     2.067   90.476   87.619
LGA    A   109_A      A   109_A     0.758     0    0.025   0.040     0.794   90.476   90.476
LGA    V   110_A      V   110_A     0.599     0    0.014   0.042     0.791   90.476   90.476
LGA    L   111_A      L   111_A     0.662     0    0.036   0.044     0.815   90.476   90.476
LGA    E   112_A      E   112_A     0.602     0    0.019   0.125     0.756   90.476   90.476
LGA    E   113_A      E   113_A     0.707     0    0.018   0.111     1.340   90.476   86.455
LGA    I   114_A      I   114_A     0.756     0    0.036   0.060     1.037   90.476   89.345
LGA    Q   115_A      Q   115_A     0.535     0    0.040   0.962     3.793   90.476   79.259
LGA    S   116_A      S   116_A     0.715     0    0.098   0.565     2.104   90.476   86.190
LGA    N   117_A      N   117_A     0.873     0    0.017   0.046     1.255   90.476   85.952
LGA    L   118_A      L   118_A     0.787     0    0.049   0.067     1.065   90.476   88.214
LGA    N   119_A      N   119_A     0.479     0    0.018   0.062     0.719   97.619   95.238
LGA    Q   120_A      Q   120_A     0.466     0    0.022   0.141     1.113  100.000   93.704
LGA    I   121_A      I   121_A     0.513     0    0.028   0.053     1.056   95.238   91.726
LGA    Q   122_A      Q   122_A     0.455     0    0.015   0.953     3.614  100.000   82.116
LGA    Q   123_A      Q   123_A     0.506     0    0.025   0.131     0.863   92.857   91.534
LGA    I   124_A      I   124_A     0.595     0    0.034   0.648     1.771   90.476   88.274
LGA    I   125_A      I   125_A     0.347     0    0.011   0.045     0.977  100.000   95.238
LGA    T   126_A      T   126_A     0.597     0    0.073   0.071     1.078   92.857   90.544
LGA    E   127_A      E   127_A     0.626     0    0.066   0.991     4.024   88.214   74.180
LGA    A   128_A      A   128_A     0.600     0    0.043   0.058     1.024   90.595   92.476
LGA    Q   129_A      Q   129_A     0.987     0    0.025   1.252     5.792   85.952   63.598
LGA    K   130_A      K   130_A     1.355     0    0.123   0.128     1.615   79.286   76.667
LGA    R   131_A      R   131_A     1.472     0    0.129   1.447     5.346   81.429   64.372
LGA    L   132_A      L   132_A     1.755     0    0.369   0.407     2.512   68.929   75.179

# 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):     5.178          5.078                  6.095           79.295   74.723

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.09    84.848    88.172    10.185

LGA_LOCAL      RMSD:   1.088  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.753  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   5.178  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.723663 * X  +   0.266394 * Y  +  -0.636668 * Z  + -20.024755
  Y_new =   0.598930 * X  +   0.215961 * Y  +   0.771131 * Z  +  12.856690
  Z_new =   0.342920 * X  +  -0.939359 * Y  +  -0.003268 * Z  +  -8.751054 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.691367 -0.350024 -1.574275   [DEG:   39.6124  -20.0549  -90.1993 ]
ZXZ: -2.451419  1.574064  2.791567   [DEG: -140.4560   90.1873  159.9450 ]
 
# END of job
