
#######################################################
#                                                     #
#                        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       4.41     5.29
  LCS_AVERAGE:     98.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       6_A - 132_A       1.91     5.58
  LCS_AVERAGE:     92.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      11_A - 80_A        0.99     5.66
  LONGEST_CONTINUOUS_SEGMENT:    70      12_A - 81_A        0.99     5.64
  LONGEST_CONTINUOUS_SEGMENT:    70      13_A - 82_A        1.00     5.64
  LCS_AVERAGE:     48.55

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      6    7   10      4    4    6    6    7    7    7    8    8    8    8    9   11   12   14   14   14   15   19   27 
LCS_GDT     H     2_A     H     2_A      6    7  131      4    4    6    6    7    7    7    8    9    9   11   12   15   16   17   19   21   22   26   27 
LCS_GDT     H     3_A     H     3_A      6    7  131      4    4    6    6    7    7    7    8    9    9   13   14   15   16   17   19   21   22   26   27 
LCS_GDT     H     4_A     H     4_A      6    7  131      4    4    6    6    7    7    7    8    9    9   13   15   17   20   23   28   35   62   77   83 
LCS_GDT     H     5_A     H     5_A      6    7  131      3    4    6    6    7    7    7    8    9    9   30   34   48   59   68   94  103  121  125  127 
LCS_GDT     H     6_A     H     6_A      6  127  131      3    4    6    6    9   14   26   41   47   65   83  108  118  124  127  127  127  127  127  127 
LCS_GDT     E     7_A     E     7_A      4  127  131      2    4   17   41   60   74   86  117  123  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     N     8_A     N     8_A      4  127  131      3    4   31   61   81  106  123  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L     9_A     L     9_A     59  127  131      3    4    4   73  110  120  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Y    10_A     Y    10_A     67  127  131      3    4   41  105  119  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     F    11_A     F    11_A     70  127  131      3   24   97  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    12_A     Q    12_A     70  127  131      7   60  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    13_A     S    13_A     70  127  131      8   43  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    14_A     S    14_A     70  127  131     16   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    15_A     A    15_A     70  127  131     24   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K    16_A     K    16_A     70  127  131     23   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    17_A     Q    17_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D    18_A     D    18_A     70  127  131     24   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     F    19_A     F    19_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    20_A     A    20_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E    21_A     E    21_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     G    22_A     G    22_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     V    23_A     V    23_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K    24_A     K    24_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    25_A     L    25_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     W    26_A     W    26_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    27_A     Q    27_A     70  127  131     25   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     70  127  131     25   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     N    29_A     N    29_A     70  127  131     24   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    30_A     A    30_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     V    31_A     V    31_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    32_A     L    32_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     W    33_A     W    33_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     T    34_A     T    34_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     R    35_A     R    35_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    36_A     L    36_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     V    37_A     V    37_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    38_A     Q    38_A     70  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    39_A     A    39_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     F    40_A     F    40_A     70  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    41_A     Q    41_A     70  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    42_A     S    42_A     70  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     G    43_A     G    43_A     70  127  131     16   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D    44_A     D    44_A     70  127  131     16   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    45_A     Q    45_A     70  127  131     12   35   94  116  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    46_A     S    46_A     70  127  131     12   41   94  116  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     T    47_A     T    47_A     70  127  131     16   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     V    48_A     V    48_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D    49_A     D    49_A     70  127  131     16   41   94  116  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    50_A     S    50_A     70  127  131     16   72  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    51_A     L    51_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    52_A     L    52_A     70  127  131     18   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K    53_A     K    53_A     70  127  131     18   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    54_A     Q    54_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    55_A     L    55_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D    56_A     D    56_A     70  127  131     18   68  100  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    57_A     A    57_A     70  127  131     18   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     N    58_A     N    58_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     70  127  131     18   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    60_A     A    60_A     70  127  131     18   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     R    61_A     R    61_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     V    62_A     V    62_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    64_A     Q    64_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    65_A     L    65_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    66_A     L    66_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    67_A     Q    67_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     R    68_A     R    68_A     70  127  131     21   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     I    69_A     I    69_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     70  127  131     12   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    71_A     S    71_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E    72_A     E    72_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     T    73_A     T    73_A     70  127  131     18   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     70  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D    75_A     D    75_A     70  127  131     11   57  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E    76_A     E    76_A     70  127  131     11   63  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    77_A     L    77_A     70  127  131     11   63  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A    78_A     A    78_A     70  127  131     11   63  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     R    79_A     R    79_A     70  127  131     11   63  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K    80_A     K    80_A     70  127  131     11   63  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     G    81_A     G    81_A     70  127  131     11   64  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E    82_A     E    82_A     70  127  131     11   63   99  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    83_A     S    83_A     65  127  131     11   39   95  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    84_A     L    84_A     65  127  131     14   39   94  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     F    85_A     F    85_A     65  127  131     14   43   95  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    86_A     Q    86_A     65  127  131     12   48   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     R    87_A     R    87_A     65  127  131     17   41   95  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     N    88_A     N    88_A     65  127  131     19   41   95  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    89_A     Q    89_A     65  127  131     19   43   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    90_A     Q    90_A     65  127  131     19   62   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    91_A     L    91_A     65  127  131     19   60   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     F    92_A     F    92_A     65  127  131     19   41   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S    93_A     S    93_A     65  127  131     19   62  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q    94_A     Q    94_A     65  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    95_A     L    95_A     65  127  131     20   68  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K    96_A     K    96_A     65  127  131     19   37  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     65  127  131     19   73  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L    98_A     L    98_A     65  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     F    99_A     F    99_A     65  127  131     19   70  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S   100_A     S   100_A     65  127  131     19   47  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     65  127  131     19   71  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     G   102_A     G   102_A     65  127  131     23   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D   103_A     D   103_A     65  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E   104_A     E   104_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     D   105_A     D   105_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     T   106_A     T   106_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A   107_A     A   107_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K   108_A     K   108_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A   109_A     A   109_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     V   110_A     V   110_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L   111_A     L   111_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E   112_A     E   112_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E   113_A     E   113_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     I   114_A     I   114_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q   115_A     Q   115_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     S   116_A     S   116_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     N   117_A     N   117_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L   118_A     L   118_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     N   119_A     N   119_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q   120_A     Q   120_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     I   121_A     I   121_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q   122_A     Q   122_A     65  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q   123_A     Q   123_A     65  127  131     19   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     I   124_A     I   124_A     65  127  131     28   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     I   125_A     I   125_A     65  127  131     29   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     T   126_A     T   126_A     65  127  131     17   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     E   127_A     E   127_A     65  127  131     17   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     A   128_A     A   128_A     65  127  131     27   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     Q   129_A     Q   129_A     65  127  131     16   74  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     K   130_A     K   130_A     65  127  131     16   34   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     65  127  131     10   34   98  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_GDT     L   132_A     L   132_A     65  127  131     10   62  101  119  122  123  124  125  125  125  126  126  126  126  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  79.96  (  48.55   92.77   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     29     74    101    119    122    123    124    125    125    125    126    126    126    126    127    127    127    127    127    127 
GDT PERCENT_AT  21.97  56.06  76.52  90.15  92.42  93.18  93.94  94.70  94.70  94.70  95.45  95.45  95.45  95.45  96.21  96.21  96.21  96.21  96.21  96.21
GDT RMS_LOCAL    0.33   0.68   0.90   1.09   1.14   1.17   1.23   1.32   1.32   1.32   1.50   1.50   1.50   1.50   1.91   1.91   1.91   1.91   1.91   1.91
GDT RMS_ALL_AT   5.64   5.72   5.70   5.74   5.73   5.75   5.74   5.72   5.72   5.72   5.67   5.67   5.67   5.67   5.58   5.58   5.58   5.58   5.58   5.58

# Checking swapping
#   possible swapping detected:  Y    10_A      Y    10_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:  D    75_A      D    75_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
#   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    36.776     0    0.179   0.933    40.231    0.000    0.000
LGA    H     2_A      H     2_A    31.736     0    0.162   0.294    36.717    0.000    0.000
LGA    H     3_A      H     3_A    25.203     0    0.180   0.755    27.578    0.000    0.000
LGA    H     4_A      H     4_A    22.265     0    0.417   0.517    27.027    0.000    0.000
LGA    H     5_A      H     5_A    18.359     0    0.158   0.643    22.000    0.000    0.000
LGA    H     6_A      H     6_A    14.179     0    0.626   1.406    17.016    0.000    0.000
LGA    E     7_A      E     7_A     8.221     0    0.183   1.007    10.763    7.857   11.376
LGA    N     8_A      N     8_A     5.551     0    0.217   0.787     6.492   21.548   28.631
LGA    L     9_A      L     9_A     4.096     0    0.059   0.567    11.197   42.857   23.452
LGA    Y    10_A      Y    10_A     3.194     0    0.199   0.360    10.949   55.833   24.167
LGA    F    11_A      F    11_A     1.679     0    0.148   0.408     4.444   75.000   58.139
LGA    Q    12_A      Q    12_A     1.344     0    0.020   0.864     3.000   77.143   72.222
LGA    S    13_A      S    13_A     1.679     0    0.029   0.118     2.034   77.143   74.365
LGA    S    14_A      S    14_A     0.796     0    0.152   0.263     1.084   92.976   92.143
LGA    A    15_A      A    15_A     0.218     0    0.031   0.029     0.630   95.238   96.190
LGA    K    16_A      K    16_A     0.916     0    0.014   1.005     5.424   90.476   69.841
LGA    Q    17_A      Q    17_A     0.455     0    0.029   1.473     5.368   97.619   74.974
LGA    D    18_A      D    18_A     0.268     0    0.032   0.074     0.391  100.000  100.000
LGA    F    19_A      F    19_A     0.483     0    0.017   0.137     0.723   95.238   93.939
LGA    A    20_A      A    20_A     0.672     0    0.022   0.024     0.801   90.476   90.476
LGA    E    21_A      E    21_A     0.585     0    0.047   0.977     3.700   90.476   75.873
LGA    G    22_A      G    22_A     0.604     0    0.029   0.029     0.700   90.476   90.476
LGA    V    23_A      V    23_A     0.758     0    0.013   0.046     0.854   90.476   90.476
LGA    K    24_A      K    24_A     0.604     0    0.062   0.612     2.357   90.476   84.762
LGA    L    25_A      L    25_A     0.623     0    0.016   1.366     2.928   90.476   81.964
LGA    W    26_A      W    26_A     0.636     0    0.021   1.631     6.863   90.476   66.054
LGA    Q    27_A      Q    27_A     0.350     0    0.013   0.129     0.798  100.000   96.825
LGA    E    28_A      E    28_A     0.386     0    0.017   0.675     3.111  100.000   79.101
LGA    N    29_A      N    29_A     0.530     0    0.027   0.191     0.649   92.857   94.048
LGA    A    30_A      A    30_A     0.476     0    0.018   0.025     0.557  100.000   98.095
LGA    V    31_A      V    31_A     0.367     0    0.015   0.035     0.457  100.000  100.000
LGA    L    32_A      L    32_A     0.428     0    0.020   0.031     0.531   95.238   97.619
LGA    W    33_A      W    33_A     0.617     0    0.044   1.635     6.751   90.476   67.483
LGA    T    34_A      T    34_A     0.526     0    0.007   0.052     0.659   90.476   90.476
LGA    R    35_A      R    35_A     0.583     0    0.027   1.352     7.787   90.476   59.437
LGA    L    36_A      L    36_A     0.601     0    0.027   0.856     2.453   90.476   85.060
LGA    V    37_A      V    37_A     0.792     0    0.023   0.057     1.202   90.476   86.599
LGA    Q    38_A      Q    38_A     0.670     0    0.020   0.118     1.317   92.857   88.519
LGA    A    39_A      A    39_A     0.348     0    0.013   0.019     0.571   97.619   98.095
LGA    F    40_A      F    40_A     0.746     0    0.027   0.175     1.681   90.476   82.381
LGA    Q    41_A      Q    41_A     0.520     0    0.067   0.132     2.122   95.238   84.815
LGA    S    42_A      S    42_A     0.527     0    0.114   0.115     1.303   90.595   89.048
LGA    G    43_A      G    43_A     1.071     0    0.076   0.076     2.049   79.524   79.524
LGA    D    44_A      D    44_A     1.426     0    0.020   0.060     1.904   79.286   77.143
LGA    Q    45_A      Q    45_A     2.242     0    0.053   1.455     5.047   66.786   56.508
LGA    S    46_A      S    46_A     2.366     0    0.035   0.060     2.601   68.810   66.190
LGA    T    47_A      T    47_A     1.405     0    0.016   0.051     1.724   79.286   80.204
LGA    V    48_A      V    48_A     1.356     0    0.046   0.090     2.003   77.143   75.374
LGA    D    49_A      D    49_A     2.093     0    0.039   0.077     3.097   68.810   63.036
LGA    S    50_A      S    50_A     1.662     0    0.018   0.659     3.214   77.143   71.905
LGA    L    51_A      L    51_A     0.918     0    0.032   0.060     1.172   85.952   88.214
LGA    L    52_A      L    52_A     1.400     0    0.049   0.058     2.017   81.429   76.131
LGA    K    53_A      K    53_A     1.492     0    0.020   0.118     1.775   81.429   76.667
LGA    Q    54_A      Q    54_A     1.163     0    0.026   0.671     2.175   81.429   78.624
LGA    L    55_A      L    55_A     0.970     0    0.024   0.137     1.250   85.952   89.405
LGA    D    56_A      D    56_A     1.578     0    0.040   0.270     2.108   75.000   71.905
LGA    A    57_A      A    57_A     1.428     0    0.032   0.030     1.455   81.429   81.429
LGA    N    58_A      N    58_A     1.041     0    0.016   0.180     1.173   81.429   84.821
LGA    A    59_A      A    59_A     1.265     0    0.045   0.055     1.393   81.429   81.429
LGA    A    60_A      A    60_A     1.423     0    0.019   0.027     1.620   81.429   79.714
LGA    R    61_A      R    61_A     0.693     0    0.030   1.118     5.898   90.476   72.381
LGA    V    62_A      V    62_A     0.912     0    0.024   0.064     1.458   90.476   86.599
LGA    E    63_A      E    63_A     1.005     0    0.013   0.117     1.139   88.214   87.460
LGA    Q    64_A      Q    64_A     0.929     0    0.031   0.240     1.575   90.476   84.497
LGA    L    65_A      L    65_A     0.639     0    0.034   0.146     0.988   90.476   90.476
LGA    L    66_A      L    66_A     0.899     0    0.058   1.358     3.734   90.476   78.036
LGA    Q    67_A      Q    67_A     0.816     0    0.038   0.059     1.116   90.476   89.471
LGA    R    68_A      R    68_A     0.542     0    0.053   1.139     5.587   90.476   75.887
LGA    I    69_A      I    69_A     0.764     0    0.022   0.085     1.052   90.476   89.345
LGA    I    70_A      I    70_A     0.978     0    0.012   0.041     1.287   88.214   84.821
LGA    S    71_A      S    71_A     0.870     0    0.046   0.687     1.426   90.476   88.968
LGA    E    72_A      E    72_A     0.861     0    0.096   0.202     0.888   90.476   91.534
LGA    T    73_A      T    73_A     1.076     0    0.146   1.129     3.733   83.690   74.898
LGA    G    74_A      G    74_A     1.115     0    0.099   0.099     1.422   81.429   81.429
LGA    D    75_A      D    75_A     1.620     0    0.051   0.690     2.819   75.000   68.988
LGA    E    76_A      E    76_A     1.514     0    0.022   0.120     1.952   75.000   73.810
LGA    L    77_A      L    77_A     1.487     0    0.045   1.365     2.796   79.286   75.298
LGA    A    78_A      A    78_A     1.465     0    0.052   0.063     1.618   77.143   78.000
LGA    R    79_A      R    79_A     1.519     0    0.032   1.441     7.188   75.000   56.667
LGA    K    80_A      K    80_A     1.461     0    0.026   0.071     1.509   79.286   80.476
LGA    G    81_A      G    81_A     1.278     0    0.041   0.041     1.512   79.286   79.286
LGA    E    82_A      E    82_A     1.652     0    0.015   0.281     2.056   72.976   73.862
LGA    S    83_A      S    83_A     2.142     0    0.060   0.571     2.745   66.786   64.841
LGA    L    84_A      L    84_A     2.087     0    0.012   0.078     2.181   64.762   64.762
LGA    F    85_A      F    85_A     2.056     0    0.053   1.293     5.419   66.786   57.056
LGA    Q    86_A      Q    86_A     1.846     0    0.038   0.154     1.915   72.857   72.857
LGA    R    87_A      R    87_A     2.036     0    0.012   1.094     7.299   66.786   50.087
LGA    N    88_A      N    88_A     2.069     0    0.020   0.663     2.247   68.810   74.167
LGA    Q    89_A      Q    89_A     1.818     0    0.041   0.387     1.904   72.857   78.677
LGA    Q    90_A      Q    90_A     1.718     0    0.057   0.096     1.787   75.000   73.810
LGA    L    91_A      L    91_A     1.742     0    0.078   0.111     1.897   72.857   72.857
LGA    F    92_A      F    92_A     1.818     0    0.013   1.127     3.988   72.857   68.528
LGA    S    93_A      S    93_A     1.582     0    0.070   0.686     2.036   77.143   74.365
LGA    Q    94_A      Q    94_A     0.844     0    0.036   0.882     2.870   88.214   79.101
LGA    L    95_A      L    95_A     1.163     0    0.030   1.371     2.618   81.429   76.369
LGA    K    96_A      K    96_A     1.375     0    0.055   0.871     5.875   81.429   58.677
LGA    T    97_A      T    97_A     1.007     0    0.028   0.065     1.117   83.690   84.014
LGA    L    98_A      L    98_A     0.583     0    0.038   0.070     0.999   90.476   95.238
LGA    F    99_A      F    99_A     1.143     0    0.050   0.343     1.365   83.690   82.251
LGA    S   100_A      S   100_A     1.499     0    0.087   0.089     1.767   77.143   75.714
LGA    Q   101_A      Q   101_A     1.350     0    0.134   0.218     2.354   81.429   76.720
LGA    G   102_A      G   102_A     0.944     0    0.083   0.083     1.190   88.214   88.214
LGA    D   103_A      D   103_A     0.742     0    0.030   0.085     1.159   95.238   90.595
LGA    E   104_A      E   104_A     0.665     0    0.058   0.131     1.746   90.476   84.497
LGA    D   105_A      D   105_A     0.501     0    0.023   0.103     0.703   90.476   95.238
LGA    T   106_A      T   106_A     0.723     0    0.007   0.119     0.938   90.476   90.476
LGA    A   107_A      A   107_A     0.423     0    0.021   0.024     0.553   92.857   94.286
LGA    K   108_A      K   108_A     0.665     0    0.018   1.209     6.943   90.476   68.783
LGA    A   109_A      A   109_A     0.682     0    0.031   0.045     0.708   90.476   90.476
LGA    V   110_A      V   110_A     0.523     0    0.013   0.049     0.739   92.857   91.837
LGA    L   111_A      L   111_A     0.588     0    0.043   0.058     0.667   90.476   90.476
LGA    E   112_A      E   112_A     0.561     0    0.023   0.083     0.768   90.476   91.534
LGA    E   113_A      E   113_A     0.799     0    0.011   0.088     1.765   90.476   82.593
LGA    I   114_A      I   114_A     0.826     0    0.051   0.075     1.226   90.476   88.214
LGA    Q   115_A      Q   115_A     0.520     0    0.045   0.970     4.053   90.476   75.608
LGA    S   116_A      S   116_A     0.758     0    0.082   0.570     2.258   90.476   86.190
LGA    N   117_A      N   117_A     0.964     0    0.014   0.073     1.542   90.476   84.881
LGA    L   118_A      L   118_A     0.795     0    0.050   0.124     1.436   90.476   88.214
LGA    N   119_A      N   119_A     0.532     0    0.016   0.053     0.824   90.476   90.476
LGA    Q   120_A      Q   120_A     0.783     0    0.030   0.045     1.560   90.476   84.497
LGA    I   121_A      I   121_A     0.808     0    0.016   0.048     1.652   90.476   84.881
LGA    Q   122_A      Q   122_A     0.536     0    0.028   0.908     3.877   90.476   76.296
LGA    Q   123_A      Q   123_A     0.791     0    0.050   0.200     1.650   90.476   83.545
LGA    I   124_A      I   124_A     0.969     0    0.034   0.630     1.673   90.476   83.810
LGA    I   125_A      I   125_A     0.552     0    0.006   0.056     1.389   95.238   90.595
LGA    T   126_A      T   126_A     0.772     0    0.056   0.091     1.551   88.214   84.082
LGA    E   127_A      E   127_A     0.912     0    0.046   0.885     3.328   88.214   79.312
LGA    A   128_A      A   128_A     0.720     0    0.042   0.055     1.032   88.214   88.667
LGA    Q   129_A      Q   129_A     1.011     0    0.021   1.214     5.591   81.548   61.640
LGA    K   130_A      K   130_A     1.684     0    0.095   0.100     2.447   75.000   70.212
LGA    R   131_A      R   131_A     1.709     0    0.126   1.441     5.674   75.000   61.169
LGA    L   132_A      L   132_A     1.394     0    0.337   0.593     2.175   72.976   79.583

# 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):     5.266          5.192                  6.168           79.849   75.140

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    125    1.32    84.280    89.404     8.786

LGA_LOCAL      RMSD:   1.323  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.717  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   5.266  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.829913 * X  +  -0.313214 * Y  +   0.461672 * Z  + -21.447025
  Y_new =  -0.119598 * X  +  -0.708405 * Y  +  -0.695600 * Z  +  13.968050
  Z_new =   0.544922 * X  +  -0.632503 * Y  +   0.550454 * Z  +  -7.397329 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.998468 -0.576296 -0.854646   [DEG: -171.7996  -33.0193  -48.9676 ]
ZXZ:  0.585948  0.987888  2.430441   [DEG:   33.5723   56.6018  139.2540 ]
 
# END of job
