
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  132 ( 1072),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       1_A - 132_A       4.24     4.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122      11_A - 132_A       1.78     4.58
  LCS_AVERAGE:     85.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      73_A - 132_A       0.98     4.99
  LCS_AVERAGE:     41.05

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H     1_A     H     1_A      3    3  132      0    3    3    3    3    4    4    6    7    9    9    9   12   13   17   17   17   18   19   20 
LCS_GDT     H     2_A     H     2_A      3    4  132      3    3    3    3    4    4    4    7    7    9    9    9   13   14   17   19   25   26   37   41 
LCS_GDT     H     3_A     H     3_A      3    4  132      3    3    3    3    4    6    6    7    7    9   11   12   13   17   28   38   50   69   85  107 
LCS_GDT     H     4_A     H     4_A      3    4  132      3    3    3    4    5    6    7    7   12   14   21   32   72   77   81   88   95  123  125  127 
LCS_GDT     H     5_A     H     5_A      4    4  132      3    3    4    4    6   10   14   23   32   43   51   68   81   93  101  113  126  126  126  127 
LCS_GDT     H     6_A     H     6_A      4    4  132      3    3    4    4    4    4    6   10   15   22   26   42   49   64   76   94  108  118  121  126 
LCS_GDT     E     7_A     E     7_A      4    4  132      3    3    4    4    4    6    7   10   12   13   18   26   41   48   66   85  107  118  121  126 
LCS_GDT     N     8_A     N     8_A      4    4  132      3    3    4    4    4    6    6   48   66   78  102  115  119  124  125  125  126  126  126  127 
LCS_GDT     L     9_A     L     9_A      3    4  132      3    3    4    4    4    6    9   28   56   72   87   98  117  124  125  125  126  126  126  127 
LCS_GDT     Y    10_A     Y    10_A      3   64  132      3    3    4    4    5    7   15   33   63   78   92  112  119  124  125  125  126  126  126  127 
LCS_GDT     F    11_A     F    11_A      3  122  132      3    5   21   36   61   89  103  116  120  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    12_A     Q    12_A     58  122  132     20   32   64   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    13_A     S    13_A     58  122  132     16   35   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    14_A     S    14_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    15_A     A    15_A     58  122  132     21   32   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K    16_A     K    16_A     58  122  132     18   32   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    17_A     Q    17_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D    18_A     D    18_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     F    19_A     F    19_A     58  122  132     21   34   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    20_A     A    20_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E    21_A     E    21_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     G    22_A     G    22_A     58  122  132     21   34   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     V    23_A     V    23_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K    24_A     K    24_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    25_A     L    25_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     W    26_A     W    26_A     58  122  132     19   41   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    27_A     Q    27_A     58  122  132     23   43   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E    28_A     E    28_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     N    29_A     N    29_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    30_A     A    30_A     58  122  132     23   43   64   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     V    31_A     V    31_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    32_A     L    32_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     W    33_A     W    33_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     T    34_A     T    34_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     R    35_A     R    35_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    36_A     L    36_A     58  122  132     21   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     V    37_A     V    37_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    38_A     Q    38_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    39_A     A    39_A     58  122  132     17   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     F    40_A     F    40_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    41_A     Q    41_A     58  122  132     17   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    42_A     S    42_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     G    43_A     G    43_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D    44_A     D    44_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    45_A     Q    45_A     58  122  132     10   43   61   96  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    46_A     S    46_A     58  122  132     23   43   61   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     T    47_A     T    47_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     V    48_A     V    48_A     58  122  132     17   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D    49_A     D    49_A     58  122  132     23   43   62   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    50_A     S    50_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    51_A     L    51_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    52_A     L    52_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K    53_A     K    53_A     58  122  132     17   43   64   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    54_A     Q    54_A     58  122  132     17   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    55_A     L    55_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D    56_A     D    56_A     58  122  132     23   41   61   90  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    57_A     A    57_A     58  122  132     23   43   62   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     N    58_A     N    58_A     58  122  132     23   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    59_A     A    59_A     58  122  132     23   37   64   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    60_A     A    60_A     58  122  132     23   43   62   94  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     R    61_A     R    61_A     58  122  132     14   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     V    62_A     V    62_A     58  122  132     14   39   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E    63_A     E    63_A     58  122  132     14   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    64_A     Q    64_A     58  122  132     14   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    65_A     L    65_A     58  122  132     14   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    66_A     L    66_A     58  122  132     14   37   63   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    67_A     Q    67_A     58  122  132     14   43   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     R    68_A     R    68_A     58  122  132     14   35   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     I    69_A     I    69_A     58  122  132      9   24   55   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     I    70_A     I    70_A     57  122  132      9   23   53   96  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    71_A     S    71_A     55  122  132     14   23   56   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E    72_A     E    72_A     40  122  132     14   23   51   76  114  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     T    73_A     T    73_A     60  122  132     14   21   31   61  113  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     G    74_A     G    74_A     60  122  132     11   30   58   96  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D    75_A     D    75_A     60  122  132      3   21   55   69   82  111  121  121  121  121  122  122  122  123  125  125  126  126  126  127 
LCS_GDT     E    76_A     E    76_A     60  122  132      7   51   65   88  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    77_A     L    77_A     60  122  132     26   51   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A    78_A     A    78_A     60  122  132     16   51   62   85  113  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     R    79_A     R    79_A     60  122  132     16   51   65   85  113  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K    80_A     K    80_A     60  122  132     26   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     G    81_A     G    81_A     60  122  132     11   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E    82_A     E    82_A     60  122  132     16   51   65   88  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    83_A     S    83_A     60  122  132     16   51   65   92  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    84_A     L    84_A     60  122  132     16   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     F    85_A     F    85_A     60  122  132     22   51   65   92  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    86_A     Q    86_A     60  122  132     26   51   65   88  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     R    87_A     R    87_A     60  122  132     22   51   65   95  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     N    88_A     N    88_A     60  122  132     16   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    89_A     Q    89_A     60  122  132     25   51   65   92  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    90_A     Q    90_A     60  122  132     25   51   65   92  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    91_A     L    91_A     60  122  132     16   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     F    92_A     F    92_A     60  122  132     16   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S    93_A     S    93_A     60  122  132     16   51   65   95  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q    94_A     Q    94_A     60  122  132     26   51   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    95_A     L    95_A     60  122  132     16   51   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K    96_A     K    96_A     60  122  132     10   46   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     T    97_A     T    97_A     60  122  132     13   51   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L    98_A     L    98_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     F    99_A     F    99_A     60  122  132     14   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S   100_A     S   100_A     60  122  132     14   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q   101_A     Q   101_A     60  122  132     14   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     G   102_A     G   102_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D   103_A     D   103_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E   104_A     E   104_A     60  122  132     21   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     D   105_A     D   105_A     60  122  132     26   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     T   106_A     T   106_A     60  122  132     26   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A   107_A     A   107_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K   108_A     K   108_A     60  122  132     26   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A   109_A     A   109_A     60  122  132     26   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     V   110_A     V   110_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L   111_A     L   111_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E   112_A     E   112_A     60  122  132     26   51   66   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E   113_A     E   113_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     I   114_A     I   114_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q   115_A     Q   115_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     S   116_A     S   116_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     N   117_A     N   117_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L   118_A     L   118_A     60  122  132     22   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     N   119_A     N   119_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q   120_A     Q   120_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     I   121_A     I   121_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q   122_A     Q   122_A     60  122  132     21   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q   123_A     Q   123_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     I   124_A     I   124_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     I   125_A     I   125_A     60  122  132     21   51   62   90  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     T   126_A     T   126_A     60  122  132     21   51   62   94  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     E   127_A     E   127_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     A   128_A     A   128_A     60  122  132     26   51   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     Q   129_A     Q   129_A     60  122  132     26   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     K   130_A     K   130_A     60  122  132      8   49   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     R   131_A     R   131_A     60  122  132     16   49   67   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_GDT     L   132_A     L   132_A     60  122  132      8   51   65   97  115  120  121  121  121  121  122  122  122  124  125  125  126  126  126  127 
LCS_AVERAGE  LCS_A:  75.68  (  41.05   85.99  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     26     51     67     97    115    120    121    121    121    121    122    122    122    124    125    125    126    126    126    127 
GDT PERCENT_AT  19.70  38.64  50.76  73.48  87.12  90.91  91.67  91.67  91.67  91.67  92.42  92.42  92.42  93.94  94.70  94.70  95.45  95.45  95.45  96.21
GDT RMS_LOCAL    0.34   0.58   1.11   1.36   1.55   1.63   1.67   1.67   1.67   1.67   1.78   1.78   1.78   2.39   2.42   2.42   2.68   2.68   2.68   2.96
GDT RMS_ALL_AT   5.03   5.19   4.64   4.61   4.58   4.62   4.63   4.63   4.63   4.63   4.58   4.58   4.58   4.46   4.45   4.45   4.39   4.39   4.39   4.33

# Checking swapping
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  E    76_A      E    76_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   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    20.201     0    0.509   1.315    23.078    0.000    0.000
LGA    H     2_A      H     2_A    16.259     0    0.616   1.147    18.135    0.000    0.000
LGA    H     3_A      H     3_A    16.215     0    0.532   1.234    18.286    0.000    0.000
LGA    H     4_A      H     4_A    15.713     0    0.387   1.164    16.885    0.000    0.000
LGA    H     5_A      H     5_A    14.351     0    0.581   1.026    16.225    0.000    0.000
LGA    H     6_A      H     6_A    17.503     0    0.111   1.430    23.351    0.000    0.000
LGA    E     7_A      E     7_A    18.426     0    0.605   0.824    23.924    0.000    0.000
LGA    N     8_A      N     8_A    12.157     0    0.547   0.890    14.549    0.000    0.417
LGA    L     9_A      L     9_A    11.416     0    0.621   0.620    14.977    0.000    0.000
LGA    Y    10_A      Y    10_A    11.225     0    0.385   1.378    20.153    0.238    0.079
LGA    F    11_A      F    11_A     7.173     0    0.602   0.522    15.408   18.929    7.316
LGA    Q    12_A      Q    12_A     2.287     0    0.593   1.018     6.801   59.405   39.577
LGA    S    13_A      S    13_A     1.958     0    0.070   0.658     3.282   72.976   69.127
LGA    S    14_A      S    14_A     1.478     0    0.070   0.641     3.209   75.000   71.905
LGA    A    15_A      A    15_A     1.806     0    0.024   0.022     2.064   72.857   71.238
LGA    K    16_A      K    16_A     1.789     0    0.019   1.099     4.631   75.000   66.667
LGA    Q    17_A      Q    17_A     1.392     0    0.010   1.405     4.421   79.286   67.460
LGA    D    18_A      D    18_A     1.253     0    0.013   0.040     1.346   81.429   81.429
LGA    F    19_A      F    19_A     1.256     0    0.039   1.174     5.292   81.429   64.113
LGA    A    20_A      A    20_A     0.965     0    0.025   0.027     1.065   88.214   86.857
LGA    E    21_A      E    21_A     0.794     0    0.011   0.056     1.407   90.476   86.455
LGA    G    22_A      G    22_A     0.861     0    0.097   0.097     0.861   90.476   90.476
LGA    V    23_A      V    23_A     0.763     0    0.015   0.032     0.984   90.476   90.476
LGA    K    24_A      K    24_A     1.052     0    0.010   0.059     1.557   85.952   82.487
LGA    L    25_A      L    25_A     0.690     0    0.005   1.376     3.525   90.476   80.357
LGA    W    26_A      W    26_A     1.032     0    0.022   1.332    10.062   83.690   41.156
LGA    Q    27_A      Q    27_A     1.507     0    0.011   0.089     2.770   77.143   70.317
LGA    E    28_A      E    28_A     0.951     0    0.017   0.401     1.690   88.214   87.513
LGA    N    29_A      N    29_A     0.777     0    0.036   0.084     1.042   88.214   90.536
LGA    A    30_A      A    30_A     1.637     0    0.009   0.011     1.926   75.000   74.571
LGA    V    31_A      V    31_A     1.456     0    0.010   0.019     1.638   81.429   80.204
LGA    L    32_A      L    32_A     0.977     0    0.010   0.026     1.109   83.690   88.274
LGA    W    33_A      W    33_A     1.311     0    0.027   1.185     9.511   81.429   42.415
LGA    T    34_A      T    34_A     1.489     0    0.016   0.027     1.764   79.286   76.531
LGA    R    35_A      R    35_A     1.128     0    0.012   1.657     8.899   81.429   50.823
LGA    L    36_A      L    36_A     1.064     0    0.027   0.827     2.538   81.429   77.440
LGA    V    37_A      V    37_A     1.353     0    0.016   0.044     1.605   81.429   80.204
LGA    Q    38_A      Q    38_A     1.263     0    0.022   0.110     1.753   81.429   77.619
LGA    A    39_A      A    39_A     0.876     0    0.011   0.016     1.021   88.214   88.667
LGA    F    40_A      F    40_A     1.171     0    0.013   1.308     6.619   81.429   56.320
LGA    Q    41_A      Q    41_A     1.062     0    0.023   0.472     1.981   85.952   81.534
LGA    S    42_A      S    42_A     0.604     0    0.105   0.634     2.221   90.476   87.778
LGA    G    43_A      G    43_A     0.913     0    0.046   0.046     1.266   88.214   88.214
LGA    D    44_A      D    44_A     0.812     0    0.029   0.053     1.328   85.952   87.083
LGA    Q    45_A      Q    45_A     2.156     0    0.026   0.303     4.195   66.786   57.619
LGA    S    46_A      S    46_A     2.087     0    0.045   0.670     2.400   68.810   67.460
LGA    T    47_A      T    47_A     1.189     0    0.008   0.032     1.444   81.429   84.014
LGA    V    48_A      V    48_A     1.441     0    0.013   0.056     1.894   77.143   75.306
LGA    D    49_A      D    49_A     1.975     0    0.009   0.866     4.736   72.857   58.512
LGA    S    50_A      S    50_A     1.727     0    0.025   0.033     1.969   77.143   75.714
LGA    L    51_A      L    51_A     1.118     0    0.030   0.061     1.320   81.429   85.952
LGA    L    52_A      L    52_A     1.694     0    0.029   0.075     1.951   75.000   73.929
LGA    K    53_A      K    53_A     2.004     0    0.009   0.626     2.035   68.810   71.111
LGA    Q    54_A      Q    54_A     1.738     0    0.012   0.027     1.813   72.857   74.762
LGA    L    55_A      L    55_A     1.662     0    0.020   0.122     2.069   70.833   75.060
LGA    D    56_A      D    56_A     2.436     0    0.011   0.836     3.454   62.857   58.214
LGA    A    57_A      A    57_A     2.343     0    0.018   0.017     2.345   64.762   64.762
LGA    N    58_A      N    58_A     1.636     0    0.033   0.061     1.821   72.857   77.143
LGA    A    59_A      A    59_A     2.116     0    0.018   0.019     2.366   66.786   66.381
LGA    A    60_A      A    60_A     2.468     0    0.034   0.037     2.803   64.762   63.238
LGA    R    61_A      R    61_A     1.574     0    0.023   1.137     6.371   77.143   62.727
LGA    V    62_A      V    62_A     1.593     0    0.026   0.094     2.209   75.000   72.925
LGA    E    63_A      E    63_A     1.873     0    0.016   0.081     2.314   72.857   68.360
LGA    Q    64_A      Q    64_A     1.958     0    0.018   0.081     2.990   72.857   65.820
LGA    L    65_A      L    65_A     1.581     0    0.018   0.058     1.810   72.857   72.857
LGA    L    66_A      L    66_A     1.762     0    0.063   1.397     4.539   72.857   67.738
LGA    Q    67_A      Q    67_A     1.573     0    0.015   0.047     2.207   72.857   70.159
LGA    R    68_A      R    68_A     1.603     0    0.025   0.122     1.795   72.857   73.636
LGA    I    69_A      I    69_A     2.004     0    0.020   0.037     2.371   66.786   65.774
LGA    I    70_A      I    70_A     2.088     0    0.016   0.022     2.272   66.786   65.774
LGA    S    71_A      S    71_A     1.803     0    0.008   0.021     2.320   68.810   70.159
LGA    E    72_A      E    72_A     2.650     0    0.109   0.882     3.197   57.262   58.042
LGA    T    73_A      T    73_A     3.112     0    0.440   1.218     4.857   47.143   47.823
LGA    G    74_A      G    74_A     1.826     0    0.135   0.135     2.778   66.905   66.905
LGA    D    75_A      D    75_A     4.239     0    0.347   0.625     8.871   46.786   27.381
LGA    E    76_A      E    76_A     2.604     0    0.099   1.003     7.649   65.000   44.021
LGA    L    77_A      L    77_A     1.266     0    0.073   0.112     1.671   77.143   82.679
LGA    A    78_A      A    78_A     2.789     0    0.051   0.058     3.424   59.048   57.238
LGA    R    79_A      R    79_A     2.827     0    0.015   1.284     5.827   60.952   50.173
LGA    K    80_A      K    80_A     1.350     0    0.013   0.030     1.814   79.286   78.571
LGA    G    81_A      G    81_A     1.692     0    0.058   0.058     1.824   75.000   75.000
LGA    E    82_A      E    82_A     2.264     0    0.038   0.889     2.626   62.857   66.720
LGA    S    83_A      S    83_A     2.265     0    0.075   0.671     3.251   66.786   63.651
LGA    L    84_A      L    84_A     1.798     0    0.009   0.044     1.941   72.857   75.000
LGA    F    85_A      F    85_A     2.195     0    0.063   1.193     7.177   64.762   45.887
LGA    Q    86_A      Q    86_A     2.318     0    0.005   0.391     2.931   64.762   61.376
LGA    R    87_A      R    87_A     2.040     0    0.018   0.062     2.426   68.810   69.177
LGA    N    88_A      N    88_A     1.833     0    0.029   0.052     2.046   70.833   71.845
LGA    Q    89_A      Q    89_A     2.255     0    0.022   0.711     3.663   64.762   61.534
LGA    Q    90_A      Q    90_A     2.343     0    0.015   0.104     3.302   64.762   60.582
LGA    L    91_A      L    91_A     1.686     0    0.043   0.067     1.944   72.857   75.000
LGA    F    92_A      F    92_A     1.771     0    0.034   0.222     2.570   72.857   68.485
LGA    S    93_A      S    93_A     2.104     0    0.083   0.684     2.511   68.810   68.968
LGA    Q    94_A      Q    94_A     1.606     0    0.016   0.890     4.633   77.143   62.910
LGA    L    95_A      L    95_A     1.453     0    0.031   0.937     2.098   81.429   80.536
LGA    K    96_A      K    96_A     1.434     0    0.051   0.885     6.516   81.429   58.254
LGA    T    97_A      T    97_A     1.254     0    0.030   0.036     1.611   83.690   81.497
LGA    L    98_A      L    98_A     0.811     0    0.011   0.065     0.989   90.476   90.476
LGA    F    99_A      F    99_A     1.084     0    0.117   1.088     6.253   85.952   60.043
LGA    S   100_A      S   100_A     1.022     0    0.000   0.010     1.181   85.952   84.444
LGA    Q   101_A      Q   101_A     0.779     0    0.162   0.169     1.041   88.214   89.471
LGA    G   102_A      G   102_A     0.722     0    0.031   0.031     0.843   90.476   90.476
LGA    D   103_A      D   103_A     1.029     0    0.037   0.080     1.497   83.690   82.560
LGA    E   104_A      E   104_A     1.268     0    0.034   0.078     1.613   79.286   80.476
LGA    D   105_A      D   105_A     1.859     0    0.028   0.048     2.588   72.857   67.857
LGA    T   106_A      T   106_A     1.430     0    0.037   0.062     1.670   79.286   78.980
LGA    A   107_A      A   107_A     0.882     0    0.035   0.035     1.083   85.952   86.857
LGA    K   108_A      K   108_A     1.552     0    0.008   0.040     3.020   79.286   68.783
LGA    A   109_A      A   109_A     1.622     0    0.016   0.017     1.795   77.143   76.286
LGA    V   110_A      V   110_A     0.783     0    0.017   0.028     1.065   88.214   90.544
LGA    L   111_A      L   111_A     0.835     0    0.019   0.092     1.440   88.214   85.952
LGA    E   112_A      E   112_A     1.542     0    0.006   0.066     3.187   79.286   68.783
LGA    E   113_A      E   113_A     1.010     0    0.006   0.062     1.897   85.952   80.582
LGA    I   114_A      I   114_A     0.339     0    0.031   0.034     0.885   95.238   94.048
LGA    Q   115_A      Q   115_A     1.423     0    0.025   0.717     5.180   81.429   63.175
LGA    S   116_A      S   116_A     1.214     0    0.073   0.676     3.439   83.690   77.698
LGA    N   117_A      N   117_A     0.450     0    0.014   0.049     1.648  100.000   90.774
LGA    L   118_A      L   118_A     1.253     0    0.022   0.042     2.276   81.548   75.179
LGA    N   119_A      N   119_A     1.629     0    0.026   0.037     2.567   77.143   70.060
LGA    Q   120_A      Q   120_A     0.674     0    0.028   1.181     4.418   95.238   80.952
LGA    I   121_A      I   121_A     1.109     0    0.009   0.046     2.196   83.690   76.250
LGA    Q   122_A      Q   122_A     2.100     0    0.012   1.170     6.836   68.810   50.159
LGA    Q   123_A      Q   123_A     1.356     0    0.010   0.059     3.078   85.952   74.392
LGA    I   124_A      I   124_A     0.832     0    0.021   0.635     1.909   85.952   81.548
LGA    I   125_A      I   125_A     2.493     0    0.026   0.658     6.149   64.881   50.893
LGA    T   126_A      T   126_A     2.367     0    0.025   0.040     3.019   68.810   62.789
LGA    E   127_A      E   127_A     1.103     0    0.040   0.994     4.175   83.690   68.836
LGA    A   128_A      A   128_A     1.498     0    0.022   0.024     1.904   79.286   78.000
LGA    Q   129_A      Q   129_A     1.949     0    0.005   1.234     4.622   72.857   59.788
LGA    K   130_A      K   130_A     1.416     0    0.004   0.051     3.119   83.690   71.587
LGA    R   131_A      R   131_A     0.655     0    0.032   1.134     4.392   88.214   76.277
LGA    L   132_A      L   132_A     1.792     0    0.091   1.378     7.685   69.048   46.012

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1072   1072  100.00               132
SUMMARY(RMSD_GDC):     4.242          4.101                  5.220           70.733   65.598

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.67    74.621    81.748     6.843

LGA_LOCAL      RMSD:   1.668  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.627  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   4.242  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.219806 * X  +  -0.570138 * Y  +  -0.791598 * Z  +  18.863853
  Y_new =  -0.918835 * X  +  -0.151632 * Y  +   0.364348 * Z  +  16.382214
  Z_new =  -0.327760 * X  +   0.807434 * Y  +  -0.490534 * Z  +   6.309348 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.805606  0.333931  2.116728   [DEG: -103.4536   19.1329  121.2796 ]
ZXZ: -2.002157  2.083498 -0.385606   [DEG: -114.7151  119.3757  -22.0936 ]
 
# END of job
