
#######################################################
#                                                     #
#                        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:   130       3_A - 132_A       4.59     5.63
  LCS_AVERAGE:     97.12

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.93     6.08
  LCS_AVERAGE:     88.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      17_A - 74_A        0.99     5.82
  LCS_AVERAGE:     33.61

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    5   11      3    4    4    4    6    7    7   11   14   15   18   22   25   26   29   31   33   36   39   41 
LCS_GDT     H     2_A     H     2_A      4    5   11      3    4    4    4    6    7    8   11   14   15   18   22   25   26   29   31   33   36   39   41 
LCS_GDT     H     3_A     H     3_A      4    5  130      3    4    4    4    6    6    8   11   11   12   13   22   25   26   29   31   33   36   39   41 
LCS_GDT     H     4_A     H     4_A      4    5  130      3    4    4    4    6    7    8   11   14   15   18   22   25   26   29   32   38   41   46   51 
LCS_GDT     H     5_A     H     5_A      3    5  130      3    3    3    4    6    7    8   11   14   15   18   22   35   39   60   65   73   77   84  101 
LCS_GDT     H     6_A     H     6_A      4    5  130      3    4    4    5    6    7    8   11   17   23   29   46   52   57   60   65   71   77   88  104 
LCS_GDT     E     7_A     E     7_A      4    5  130      3    4    4    5    6    7    8   11   17   21   31   40   81   90   95  102  117  125  126  126 
LCS_GDT     N     8_A     N     8_A      4    5  130      3    4    4    5    6    7    7    8   13   60   79  103  122  125  125  125  125  125  126  126 
LCS_GDT     L     9_A     L     9_A      4  124  130      3    4    4    5    5    5    6    9   14   63   94  121  124  125  125  125  125  125  126  126 
LCS_GDT     Y    10_A     Y    10_A      3  124  130      3    3    3    5   72   96  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    11_A     F    11_A     33  124  130      4    5   26   58  113  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    12_A     Q    12_A     33  124  130      4   14   45   82  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    13_A     S    13_A     33  124  130      4   23   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    14_A     S    14_A     33  124  130      6   23   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    15_A     A    15_A     34  124  130      6   22   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    16_A     K    16_A     55  124  130      9   24   73   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    17_A     Q    17_A     58  124  130     15   29   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    18_A     D    18_A     58  124  130     14   29   72   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    19_A     F    19_A     58  124  130     14   29   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    20_A     A    20_A     58  124  130     15   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    21_A     E    21_A     58  124  130     14   37   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    22_A     G    22_A     58  124  130     17   38   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    23_A     V    23_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    24_A     K    24_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    25_A     L    25_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     W    26_A     W    26_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    27_A     Q    27_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    28_A     E    28_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N    29_A     N    29_A     58  124  130     17   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    30_A     A    30_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    31_A     V    31_A     58  124  130     17   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    32_A     L    32_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     W    33_A     W    33_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    34_A     T    34_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    35_A     R    35_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    36_A     L    36_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    37_A     V    37_A     58  124  130     17   41   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    38_A     Q    38_A     58  124  130     17   41   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    39_A     A    39_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    40_A     F    40_A     58  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    41_A     Q    41_A     58  124  130     17   41   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    42_A     S    42_A     58  124  130     11   40   73   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    43_A     G    43_A     58  124  130     13   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    44_A     D    44_A     58  124  130     20   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    45_A     Q    45_A     58  124  130     24   43   75   92  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    46_A     S    46_A     58  124  130     24   43   75   92  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    47_A     T    47_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    48_A     V    48_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    49_A     D    49_A     58  124  130     24   41   75   92  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    50_A     S    50_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    51_A     L    51_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    52_A     L    52_A     58  124  130     24   41   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    53_A     K    53_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    54_A     Q    54_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    55_A     L    55_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    56_A     D    56_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    57_A     A    57_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N    58_A     N    58_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    59_A     A    59_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    60_A     A    60_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    61_A     R    61_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    62_A     V    62_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    63_A     E    63_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    64_A     Q    64_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    65_A     L    65_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    66_A     L    66_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    67_A     Q    67_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    68_A     R    68_A     58  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I    69_A     I    69_A     58  124  130     21   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I    70_A     I    70_A     58  124  130     11   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    71_A     S    71_A     58  124  130      9   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    72_A     E    72_A     58  124  130     21   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    73_A     T    73_A     58  124  130     21   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    74_A     G    74_A     58  124  130     17   25   73   88  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    75_A     D    75_A     42  124  130      3    5    5   53   65   93  120  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    76_A     E    76_A     25  124  130     10   23   45   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    77_A     L    77_A     27  124  130      8   22   49   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    78_A     A    78_A     29  124  130      8   27   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    79_A     R    79_A     39  124  130      8   26   67   92  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    80_A     K    80_A     39  124  130      8   23   65   91  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    81_A     G    81_A     41  124  130      7   32   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    82_A     E    82_A     41  124  130      8   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    83_A     S    83_A     41  124  130     10   34   67   87  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    84_A     L    84_A     41  124  130     10   32   67   87  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    85_A     F    85_A     41  124  130      9   34   67   84  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    86_A     Q    86_A     41  124  130     10   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    87_A     R    87_A     41  124  130     10   34   67   91  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N    88_A     N    88_A     41  124  130     10   34   67   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    89_A     Q    89_A     41  124  130     10   34   67   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    90_A     Q    90_A     41  124  130     10   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    91_A     L    91_A     41  124  130     10   23   67   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    92_A     F    92_A     41  124  130     13   22   51   88  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    93_A     S    93_A     41  124  130     13   32   67   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    94_A     Q    94_A     41  124  130     13   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    95_A     L    95_A     41  124  130     13   26   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    96_A     K    96_A     41  124  130     13   25   56   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    97_A     T    97_A     41  124  130     13   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    98_A     L    98_A     41  124  130     13   34   69   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    99_A     F    99_A     41  124  130     13   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S   100_A     S   100_A     41  124  130     13   34   67   84  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   101_A     Q   101_A     41  124  130     13   34   67   89  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G   102_A     G   102_A     41  124  130     14   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D   103_A     D   103_A     41  124  130     13   34   71   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   104_A     E   104_A     41  124  130     10   30   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D   105_A     D   105_A     41  124  130     13   34   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T   106_A     T   106_A     41  124  130     10   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A   107_A     A   107_A     41  124  130     17   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K   108_A     K   108_A     41  124  130     12   41   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A   109_A     A   109_A     41  124  130      8   41   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V   110_A     V   110_A     41  124  130      8   38   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L   111_A     L   111_A     41  124  130     11   37   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   112_A     E   112_A     41  124  130     10   37   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   113_A     E   113_A     41  124  130     10   34   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   114_A     I   114_A     41  124  130     11   35   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   115_A     Q   115_A     41  124  130     14   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S   116_A     S   116_A     41  124  130     10   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N   117_A     N   117_A     41  124  130     15   34   72   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L   118_A     L   118_A     41  124  130     20   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N   119_A     N   119_A     41  124  130     15   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   120_A     Q   120_A     41  124  130     15   30   72   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   121_A     I   121_A     41  124  130     15   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   122_A     Q   122_A     32  124  130     15   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   123_A     Q   123_A     32  124  130     15   22   66   90  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   124_A     I   124_A     32  124  130     15   30   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   125_A     I   125_A     32  124  130     24   43   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T   126_A     T   126_A     32  124  130     15   23   65   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   127_A     E   127_A     32  124  130     15   27   67   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A   128_A     A   128_A     32  124  130     15   29   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   129_A     Q   129_A     32  124  130     15   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K   130_A     K   130_A     32  124  130     15   22   65   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R   131_A     R   131_A     32  124  130     15   29   69   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L   132_A     L   132_A     32  124  130     15   40   75   93  120  121  122  123  123  123  123  123  124  125  125  125  125  125  126  126 
LCS_AVERAGE  LCS_A:  73.07  (  33.61   88.48   97.12 )

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     24     43     75     93    120    121    122    123    123    123    123    123    124    125    125    125    125    125    126    126 
GDT PERCENT_AT  18.18  32.58  56.82  70.45  90.91  91.67  92.42  93.18  93.18  93.18  93.18  93.18  93.94  94.70  94.70  94.70  94.70  94.70  95.45  95.45
GDT RMS_LOCAL    0.29   0.80   1.06   1.37   1.64   1.66   1.69   1.75   1.75   1.75   1.75   1.75   1.93   2.16   2.16   2.16   2.16   2.16   2.55   2.55
GDT RMS_ALL_AT   6.00   5.81   5.91   6.09   6.16   6.15   6.14   6.11   6.11   6.11   6.11   6.11   6.08   6.02   6.02   6.02   6.02   6.02   5.95   5.95

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   112_A      E   112_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    30.873     0    0.060   1.192    32.943    0.000    0.000
LGA    H     2_A      H     2_A    27.399     0    0.107   1.127    28.775    0.000    0.000
LGA    H     3_A      H     3_A    26.710     0    0.523   1.175    28.397    0.000    0.000
LGA    H     4_A      H     4_A    26.270     0    0.612   0.493    31.913    0.000    0.000
LGA    H     5_A      H     5_A    22.214     0    0.074   0.159    23.442    0.000    0.000
LGA    H     6_A      H     6_A    21.679     0    0.696   1.461    28.029    0.000    0.000
LGA    E     7_A      E     7_A    16.299     0    0.052   0.879    19.437    0.000    0.000
LGA    N     8_A      N     8_A    11.450     0    0.304   0.603    12.762    0.119    0.060
LGA    L     9_A      L     9_A     9.514     0    0.590   1.188    13.079    5.119    2.560
LGA    Y    10_A      Y    10_A     3.863     0    0.412   1.347    11.807   52.024   23.968
LGA    F    11_A      F    11_A     3.189     0    0.594   1.284     8.785   61.190   28.139
LGA    Q    12_A      Q    12_A     2.369     0    0.015   1.370     4.728   62.857   61.217
LGA    S    13_A      S    13_A     2.049     0    0.042   0.615     3.972   66.786   63.889
LGA    S    14_A      S    14_A     1.942     0    0.050   0.130     1.970   72.857   74.286
LGA    A    15_A      A    15_A     1.767     0    0.038   0.047     2.081   77.143   74.667
LGA    K    16_A      K    16_A     1.249     0    0.033   0.863     4.552   83.690   66.561
LGA    Q    17_A      Q    17_A     1.043     0    0.034   1.087     3.856   81.429   77.196
LGA    D    18_A      D    18_A     1.265     0    0.030   0.228     2.037   81.429   79.345
LGA    F    19_A      F    19_A     0.879     0    0.039   0.235     1.697   88.214   84.805
LGA    A    20_A      A    20_A     0.544     0    0.029   0.038     0.743   90.476   92.381
LGA    E    21_A      E    21_A     1.066     0    0.063   1.017     4.640   83.690   67.513
LGA    G    22_A      G    22_A     1.154     0    0.025   0.025     1.199   81.429   81.429
LGA    V    23_A      V    23_A     1.040     0    0.042   0.128     1.149   81.429   84.014
LGA    K    24_A      K    24_A     1.007     0    0.029   0.615     1.801   81.429   80.529
LGA    L    25_A      L    25_A     0.982     0    0.034   0.916     3.112   88.214   80.952
LGA    W    26_A      W    26_A     0.973     0    0.027   1.587     7.003   85.952   64.592
LGA    Q    27_A      Q    27_A     0.955     0    0.032   1.095     4.660   88.214   75.503
LGA    E    28_A      E    28_A     0.926     0    0.032   0.688     2.928   90.476   75.661
LGA    N    29_A      N    29_A     1.020     0    0.050   0.486     1.888   85.952   83.750
LGA    A    30_A      A    30_A     1.043     0    0.032   0.041     1.086   83.690   85.048
LGA    V    31_A      V    31_A     1.028     0    0.028   0.072     1.338   85.952   85.306
LGA    L    32_A      L    32_A     0.643     0    0.031   0.113     0.812   90.476   91.667
LGA    W    33_A      W    33_A     0.713     0    0.020   1.551     5.882   90.476   70.782
LGA    T    34_A      T    34_A     0.801     0    0.031   0.077     0.857   90.476   90.476
LGA    R    35_A      R    35_A     0.718     0    0.033   1.468     8.739   90.476   54.935
LGA    L    36_A      L    36_A     0.414     0    0.031   0.213     0.795   95.238   95.238
LGA    V    37_A      V    37_A     0.774     0    0.034   0.113     1.201   90.476   89.184
LGA    Q    38_A      Q    38_A     1.037     0    0.026   0.946     3.655   88.214   79.312
LGA    A    39_A      A    39_A     0.895     0    0.031   0.035     0.972   90.476   90.476
LGA    F    40_A      F    40_A     0.498     0    0.031   0.229     2.774   97.619   80.649
LGA    Q    41_A      Q    41_A     0.782     0    0.031   0.265     2.570   90.476   78.095
LGA    S    42_A      S    42_A     1.662     0    0.049   0.589     2.809   72.976   70.317
LGA    G    43_A      G    43_A     1.632     0    0.035   0.035     2.501   71.071   71.071
LGA    D    44_A      D    44_A     1.804     0    0.062   0.175     2.366   72.857   69.821
LGA    Q    45_A      Q    45_A     2.091     0    0.071   1.162     4.835   66.786   62.011
LGA    S    46_A      S    46_A     2.236     0    0.041   0.599     2.348   66.786   67.460
LGA    T    47_A      T    47_A     1.814     0    0.038   1.137     3.581   72.857   67.483
LGA    V    48_A      V    48_A     1.658     0    0.047   0.109     1.844   72.857   72.857
LGA    D    49_A      D    49_A     2.249     0    0.030   0.819     3.933   64.762   56.607
LGA    S    50_A      S    50_A     2.007     0    0.056   0.681     3.078   68.810   65.000
LGA    L    51_A      L    51_A     1.519     0    0.035   0.900     2.616   75.000   72.143
LGA    L    52_A      L    52_A     1.981     0    0.070   1.337     4.668   72.857   67.857
LGA    K    53_A      K    53_A     1.767     0    0.026   1.016     4.714   72.857   59.894
LGA    Q    54_A      Q    54_A     1.649     0    0.023   0.542     2.640   72.857   72.063
LGA    L    55_A      L    55_A     1.464     0    0.042   1.411     2.829   77.143   73.214
LGA    D    56_A      D    56_A     2.018     0    0.029   0.937     5.228   70.833   57.619
LGA    A    57_A      A    57_A     1.722     0    0.034   0.046     1.850   72.857   72.857
LGA    N    58_A      N    58_A     1.375     0    0.023   0.941     2.784   81.429   77.321
LGA    A    59_A      A    59_A     1.583     0    0.041   0.044     1.798   72.857   72.857
LGA    A    60_A      A    60_A     2.002     0    0.044   0.045     2.144   70.833   69.619
LGA    R    61_A      R    61_A     1.416     0    0.033   1.456     7.116   79.286   57.532
LGA    V    62_A      V    62_A     1.556     0    0.031   0.066     1.679   72.857   72.857
LGA    E    63_A      E    63_A     1.691     0    0.032   0.311     1.928   72.857   72.857
LGA    Q    64_A      Q    64_A     1.791     0    0.019   1.417     4.314   72.857   65.397
LGA    L    65_A      L    65_A     1.682     0    0.027   0.165     2.166   72.857   72.917
LGA    L    66_A      L    66_A     1.664     0    0.049   0.138     2.133   72.857   71.845
LGA    Q    67_A      Q    67_A     1.637     0    0.043   0.769     2.212   72.857   71.058
LGA    R    68_A      R    68_A     1.589     0    0.043   1.193     6.077   72.857   64.632
LGA    I    69_A      I    69_A     1.617     0    0.042   0.106     1.830   72.857   72.857
LGA    I    70_A      I    70_A     1.560     0    0.038   1.281     4.037   72.857   64.464
LGA    S    71_A      S    71_A     1.698     0    0.047   0.679     1.855   72.857   74.286
LGA    E    72_A      E    72_A     1.543     0    0.042   0.889     3.809   72.857   66.455
LGA    T    73_A      T    73_A     1.805     0    0.097   0.151     2.675   75.000   69.524
LGA    G    74_A      G    74_A     2.448     0    0.679   0.679     3.167   59.167   59.167
LGA    D    75_A      D    75_A     4.943     0    0.069   1.121    10.585   37.500   19.881
LGA    E    76_A      E    76_A     2.242     0    0.558   0.888     6.881   66.786   43.069
LGA    L    77_A      L    77_A     2.218     0    0.068   1.267     5.751   64.762   57.440
LGA    A    78_A      A    78_A     1.595     0    0.054   0.063     1.874   72.857   74.571
LGA    R    79_A      R    79_A     2.108     0    0.067   1.434     4.389   66.786   58.961
LGA    K    80_A      K    80_A     2.187     0    0.610   0.918     4.243   57.857   56.455
LGA    G    81_A      G    81_A     1.630     0    0.055   0.055     1.727   72.857   72.857
LGA    E    82_A      E    82_A     2.014     0    0.057   0.132     2.283   66.786   70.159
LGA    S    83_A      S    83_A     2.456     0    0.084   0.589     2.569   64.762   63.492
LGA    L    84_A      L    84_A     2.349     0    0.026   1.423     2.926   64.762   63.869
LGA    F    85_A      F    85_A     2.462     0    0.063   1.375     4.937   62.857   57.965
LGA    Q    86_A      Q    86_A     2.074     0    0.032   1.295     3.375   64.762   66.772
LGA    R    87_A      R    87_A     2.198     0    0.033   1.467    10.008   64.762   37.532
LGA    N    88_A      N    88_A     2.273     0    0.025   0.175     2.589   64.762   63.810
LGA    Q    89_A      Q    89_A     2.191     0    0.031   0.690     2.614   64.762   67.566
LGA    Q    90_A      Q    90_A     2.057     0    0.025   0.685     2.204   64.762   67.460
LGA    L    91_A      L    91_A     2.273     0    0.073   1.424     3.036   64.762   62.976
LGA    F    92_A      F    92_A     2.438     0    0.031   1.286     4.223   64.762   64.416
LGA    S    93_A      S    93_A     2.337     0    0.060   0.059     2.406   68.810   67.460
LGA    Q    94_A      Q    94_A     1.553     0    0.041   1.458     6.174   75.000   60.212
LGA    L    95_A      L    95_A     1.891     0    0.041   0.905     2.091   72.857   77.440
LGA    K    96_A      K    96_A     2.175     0    0.040   1.045     4.447   64.762   61.746
LGA    T    97_A      T    97_A     2.001     0    0.028   1.156     4.385   68.810   63.197
LGA    L    98_A      L    98_A     1.299     0    0.049   1.176     4.108   77.143   74.881
LGA    F    99_A      F    99_A     1.937     0    0.089   1.233     5.520   68.810   53.766
LGA    S   100_A      S   100_A     2.329     0    0.036   0.679     2.695   64.762   63.492
LGA    Q   101_A      Q   101_A     2.288     0    0.027   0.571     2.536   62.857   66.720
LGA    G   102_A      G   102_A     2.108     0    0.056   0.056     2.171   66.786   66.786
LGA    D   103_A      D   103_A     1.689     0    0.107   0.260     2.293   77.143   75.060
LGA    E   104_A      E   104_A     1.425     0    0.069   0.979     3.078   77.143   75.132
LGA    D   105_A      D   105_A     1.932     0    0.021   0.223     2.659   72.857   67.857
LGA    T   106_A      T   106_A     1.670     0    0.030   1.109     3.371   77.143   68.776
LGA    A   107_A      A   107_A     0.818     0    0.037   0.043     1.071   88.214   88.667
LGA    K   108_A      K   108_A     1.199     0    0.056   0.716     5.014   81.429   64.815
LGA    A   109_A      A   109_A     1.389     0    0.047   0.048     1.479   81.429   81.429
LGA    V   110_A      V   110_A     0.666     0    0.035   1.235     2.770   90.476   82.041
LGA    L   111_A      L   111_A     1.071     0    0.054   0.113     1.245   83.690   82.560
LGA    E   112_A      E   112_A     1.336     0    0.043   1.133     3.134   81.429   76.984
LGA    E   113_A      E   113_A     1.110     0    0.043   0.095     1.375   81.429   82.434
LGA    I   114_A      I   114_A     1.136     0    0.067   0.125     1.260   81.429   81.429
LGA    Q   115_A      Q   115_A     1.323     0    0.045   1.125     5.362   81.429   67.354
LGA    S   116_A      S   116_A     1.128     0    0.678   0.603     3.518   69.762   73.651
LGA    N   117_A      N   117_A     1.292     0    0.042   0.593     3.068   83.690   72.440
LGA    L   118_A      L   118_A     1.177     0    0.054   0.136     2.177   81.429   77.202
LGA    N   119_A      N   119_A     1.454     0    0.042   1.158     3.446   79.286   74.286
LGA    Q   120_A      Q   120_A     1.597     0    0.042   1.005     3.727   77.143   72.434
LGA    I   121_A      I   121_A     0.995     0    0.028   0.651     2.804   83.690   82.917
LGA    Q   122_A      Q   122_A     1.460     0    0.040   0.638     4.664   77.143   59.630
LGA    Q   123_A      Q   123_A     2.300     0    0.023   0.289     3.834   66.786   56.772
LGA    I   124_A      I   124_A     1.970     0    0.027   1.577     4.898   72.857   63.690
LGA    I   125_A      I   125_A     0.997     0    0.036   1.401     3.242   83.690   76.548
LGA    T   126_A      T   126_A     1.776     0    0.029   0.083     2.955   75.000   69.524
LGA    E   127_A      E   127_A     1.975     0    0.026   1.027     4.242   72.857   67.090
LGA    A   128_A      A   128_A     1.169     0    0.043   0.045     1.338   83.690   83.238
LGA    Q   129_A      Q   129_A     1.246     0    0.058   1.531     6.657   81.429   61.217
LGA    K   130_A      K   130_A     1.843     0    0.050   0.641     5.018   75.000   57.619
LGA    R   131_A      R   131_A     1.472     0    0.064   1.509     4.799   81.429   67.922
LGA    L   132_A      L   132_A     0.812     0    0.436   0.798     3.023   88.214   80.893

# 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):     5.579          5.494                  6.491           70.372   65.035

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    123    1.75    72.727    82.795     6.662

LGA_LOCAL      RMSD:   1.746  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.113  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   5.579  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.240229 * X  +   0.217180 * Y  +  -0.946109 * Z  +  24.900578
  Y_new =   0.967515 * X  +   0.132665 * Y  +  -0.215211 * Z  +   9.381279
  Z_new =   0.078776 * X  +  -0.967074 * Y  +  -0.241995 * Z  +   0.962633 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.814170 -0.078858 -1.815995   [DEG:  103.9443   -4.5182 -104.0488 ]
ZXZ: -1.347133  1.815217  3.060314   [DEG:  -77.1850  104.0043  175.3430 ]
 
# END of job
