
#######################################################
#                                                     #
#                        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       4.93     4.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.91     5.30
  LCS_AVERAGE:     88.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      54_A - 132_A       0.99     5.50
  LCS_AVERAGE:     50.03

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    7  132      3    3    4    5    6    7    7    8    8    9    9    9    9    9   11   12   13   13   14   14 
LCS_GDT     H     2_A     H     2_A      4    7  132      3    3    4    5    6    7    7    8    8    9    9    9   10   11   13   15   15   16   16   19 
LCS_GDT     H     3_A     H     3_A      4    7  132      3    3    4    5    6    7    7    8    8    9    9    9   11   13   14   15   21   25   33   38 
LCS_GDT     H     4_A     H     4_A      4    7  132      3    3    4    5    6    7    7    9   10   15   18   24   28   33   41   49   64   95  121  124 
LCS_GDT     H     5_A     H     5_A      4    7  132      3    4    4    5    6    9   12   16   19   23   33   46   53   72   93  107  115  119  124  127 
LCS_GDT     H     6_A     H     6_A      4    7  132      3    4    4    5    6    7    7   11   16   19   23   31   39   47   58   74   98  114  123  127 
LCS_GDT     E     7_A     E     7_A      4    7  132      3    4    4    5    6    7    7   10   10   16   22   26   34   38   54   78  112  119  124  127 
LCS_GDT     N     8_A     N     8_A      4    5  132      3    4    4    4    5    6   41   50   66   89  107  118  124  125  125  125  125  125  125  127 
LCS_GDT     L     9_A     L     9_A      3  124  132      3    4    4    4    4    7   11   24   40   61   87   99  122  125  125  125  125  125  125  127 
LCS_GDT     Y    10_A     Y    10_A      3  124  132      3    4    4    5    5   12   16   48   66   76  101  117  124  125  125  125  125  125  125  127 
LCS_GDT     F    11_A     F    11_A      3  124  132      3    5   27   39   59   84  106  119  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    12_A     Q    12_A     58  124  132     20   34   78  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    13_A     S    13_A     58  124  132     16   46   99  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    14_A     S    14_A     58  124  132     19   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    15_A     A    15_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K    16_A     K    16_A     58  124  132     25   34  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    17_A     Q    17_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D    18_A     D    18_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     F    19_A     F    19_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    20_A     A    20_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E    21_A     E    21_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     G    22_A     G    22_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     V    23_A     V    23_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K    24_A     K    24_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    25_A     L    25_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     W    26_A     W    26_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    27_A     Q    27_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E    28_A     E    28_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     N    29_A     N    29_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    30_A     A    30_A     58  124  132     34   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     V    31_A     V    31_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    32_A     L    32_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     W    33_A     W    33_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     T    34_A     T    34_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     R    35_A     R    35_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    36_A     L    36_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     V    37_A     V    37_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    38_A     Q    38_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    39_A     A    39_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     F    40_A     F    40_A     58  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    41_A     Q    41_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    42_A     S    42_A     58  124  132     16   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     G    43_A     G    43_A     58  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D    44_A     D    44_A     58  124  132     14   66  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    45_A     Q    45_A     58  124  132     12   40   95  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    46_A     S    46_A     58  124  132     12   28   82  116  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     T    47_A     T    47_A     58  124  132     14   51  105  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     V    48_A     V    48_A     58  124  132     13   66  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D    49_A     D    49_A     58  124  132     13   36   94  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    50_A     S    50_A     58  124  132     13   43   98  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    51_A     L    51_A     58  124  132     14   77  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    52_A     L    52_A     58  124  132     14   46  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K    53_A     K    53_A     58  124  132     14   41   97  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    54_A     Q    54_A     79  124  132     14   62  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    55_A     L    55_A     79  124  132     14   62  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D    56_A     D    56_A     79  124  132     13   32   70  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    57_A     A    57_A     79  124  132     14   34   88  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     N    58_A     N    58_A     79  124  132     14   52  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    59_A     A    59_A     79  124  132     13   32   57  114  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    60_A     A    60_A     79  124  132     12   35   84  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     R    61_A     R    61_A     79  124  132     15   77  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     V    62_A     V    62_A     79  124  132     12   52  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E    63_A     E    63_A     79  124  132     12   55  101  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    64_A     Q    64_A     79  124  132     12   73  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    65_A     L    65_A     79  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    66_A     L    66_A     79  124  132     12   72  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    67_A     Q    67_A     79  124  132     20   77  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     R    68_A     R    68_A     79  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     I    69_A     I    69_A     79  124  132     10   77  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     I    70_A     I    70_A     79  124  132     10   76  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    71_A     S    71_A     79  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E    72_A     E    72_A     79  124  132     12   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     T    73_A     T    73_A     79  124  132     10   68  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     G    74_A     G    74_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D    75_A     D    75_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E    76_A     E    76_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    77_A     L    77_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A    78_A     A    78_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     R    79_A     R    79_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K    80_A     K    80_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     G    81_A     G    81_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E    82_A     E    82_A     79  124  132     23   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    83_A     S    83_A     79  124  132     22   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    84_A     L    84_A     79  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     F    85_A     F    85_A     79  124  132     25   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    86_A     Q    86_A     79  124  132     25   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     R    87_A     R    87_A     79  124  132     25   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     N    88_A     N    88_A     79  124  132     25   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    89_A     Q    89_A     79  124  132     25   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    90_A     Q    90_A     79  124  132     25   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    91_A     L    91_A     79  124  132     25   80  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     F    92_A     F    92_A     79  124  132     15   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S    93_A     S    93_A     79  124  132     34   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q    94_A     Q    94_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    95_A     L    95_A     79  124  132     34   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K    96_A     K    96_A     79  124  132     14   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     T    97_A     T    97_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L    98_A     L    98_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     F    99_A     F    99_A     79  124  132     23   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S   100_A     S   100_A     79  124  132     30   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q   101_A     Q   101_A     79  124  132     30   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     G   102_A     G   102_A     79  124  132     30   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D   103_A     D   103_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E   104_A     E   104_A     79  124  132     20   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     D   105_A     D   105_A     79  124  132     27   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     T   106_A     T   106_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A   107_A     A   107_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K   108_A     K   108_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A   109_A     A   109_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     V   110_A     V   110_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L   111_A     L   111_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E   112_A     E   112_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E   113_A     E   113_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     I   114_A     I   114_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q   115_A     Q   115_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     S   116_A     S   116_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     N   117_A     N   117_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L   118_A     L   118_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     N   119_A     N   119_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q   120_A     Q   120_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     I   121_A     I   121_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q   122_A     Q   122_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q   123_A     Q   123_A     79  124  132     31   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     I   124_A     I   124_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     I   125_A     I   125_A     79  124  132     37   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     T   126_A     T   126_A     79  124  132     30   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     E   127_A     E   127_A     79  124  132     30   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     A   128_A     A   128_A     79  124  132     29   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     Q   129_A     Q   129_A     79  124  132     22   81  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     K   130_A     K   130_A     79  124  132     15   63  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     R   131_A     R   131_A     79  124  132      8   63  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_GDT     L   132_A     L   132_A     79  124  132      5   73  107  118  121  121  121  121  122  122  122  122  124  125  125  125  125  125  125  127 
LCS_AVERAGE  LCS_A:  79.53  (  50.03   88.56  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     37     81    107    118    121    121    121    121    122    122    122    122    124    125    125    125    125    125    125    127 
GDT PERCENT_AT  28.03  61.36  81.06  89.39  91.67  91.67  91.67  91.67  92.42  92.42  92.42  92.42  93.94  94.70  94.70  94.70  94.70  94.70  94.70  96.21
GDT RMS_LOCAL    0.37   0.66   0.87   1.05   1.10   1.10   1.10   1.10   1.29   1.29   1.29   1.29   1.93   2.16   2.16   2.16   2.16   2.16   2.16   3.01
GDT RMS_ALL_AT   5.58   5.51   5.49   5.46   5.45   5.45   5.45   5.45   5.40   5.40   5.40   5.40   5.27   5.23   5.23   5.23   5.23   5.23   5.23   5.08

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    27.923     0    0.071   1.157    33.720    0.000    0.000
LGA    H     2_A      H     2_A    23.260     0    0.221   0.497    25.125    0.000    0.000
LGA    H     3_A      H     3_A    21.268     0    0.076   0.891    24.446    0.000    0.000
LGA    H     4_A      H     4_A    19.468     0    0.080   0.428    23.385    0.000    0.000
LGA    H     5_A      H     5_A    18.032     0    0.668   0.577    21.195    0.000    0.000
LGA    H     6_A      H     6_A    20.306     0    0.096   1.318    26.810    0.000    0.000
LGA    E     7_A      E     7_A    19.638     0    0.578   0.789    24.701    0.000    0.000
LGA    N     8_A      N     8_A    12.830     0    0.528   0.836    15.475    0.000    0.119
LGA    L     9_A      L     9_A    12.215     0    0.620   0.670    16.462    0.000    0.000
LGA    Y    10_A      Y    10_A    11.308     0    0.458   1.293    20.721    0.476    0.159
LGA    F    11_A      F    11_A     7.591     0    0.622   0.508    15.901   18.214    6.883
LGA    Q    12_A      Q    12_A     1.927     0    0.663   1.009     6.021   63.452   45.979
LGA    S    13_A      S    13_A     1.796     0    0.054   0.069     1.995   77.143   75.714
LGA    S    14_A      S    14_A     0.651     0    0.118   0.135     1.059   88.214   92.143
LGA    A    15_A      A    15_A     1.001     0    0.018   0.022     1.209   83.690   83.238
LGA    K    16_A      K    16_A     1.302     0    0.025   1.062     5.702   81.429   66.138
LGA    Q    17_A      Q    17_A     0.765     0    0.025   1.445     5.416   90.476   70.741
LGA    D    18_A      D    18_A     0.703     0    0.037   0.136     0.823   90.476   91.667
LGA    F    19_A      F    19_A     0.885     0    0.037   0.109     1.047   88.214   89.654
LGA    A    20_A      A    20_A     0.848     0    0.029   0.028     0.907   90.476   90.476
LGA    E    21_A      E    21_A     0.674     0    0.055   1.022     4.415   90.476   74.392
LGA    G    22_A      G    22_A     0.896     0    0.030   0.030     0.965   90.476   90.476
LGA    V    23_A      V    23_A     0.991     0    0.021   0.034     1.178   90.476   86.599
LGA    K    24_A      K    24_A     0.629     0    0.058   0.613     2.126   90.476   85.661
LGA    L    25_A      L    25_A     0.735     0    0.009   1.381     3.103   90.476   79.048
LGA    W    26_A      W    26_A     0.917     0    0.043   1.629     5.589   90.476   69.456
LGA    Q    27_A      Q    27_A     0.478     0    0.015   0.100     0.618   95.238   96.825
LGA    E    28_A      E    28_A     0.582     0    0.034   0.685     3.283   90.476   73.280
LGA    N    29_A      N    29_A     0.818     0    0.022   0.062     1.016   90.476   89.345
LGA    A    30_A      A    30_A     0.906     0    0.016   0.025     1.025   90.476   88.667
LGA    V    31_A      V    31_A     0.748     0    0.013   0.044     0.793   90.476   90.476
LGA    L    32_A      L    32_A     0.715     0    0.026   0.042     0.802   90.476   90.476
LGA    W    33_A      W    33_A     0.922     0    0.037   1.656     7.024   90.476   66.190
LGA    T    34_A      T    34_A     0.906     0    0.010   0.052     1.103   90.476   89.184
LGA    R    35_A      R    35_A     0.848     0    0.021   1.348     7.777   90.476   58.745
LGA    L    36_A      L    36_A     0.810     0    0.022   0.875     2.736   90.476   84.107
LGA    V    37_A      V    37_A     1.125     0    0.018   0.046     1.539   81.429   80.204
LGA    Q    38_A      Q    38_A     1.090     0    0.018   0.104     1.719   85.952   80.582
LGA    A    39_A      A    39_A     0.528     0    0.013   0.021     0.704   95.238   94.286
LGA    F    40_A      F    40_A     0.659     0    0.038   0.097     1.415   90.476   84.719
LGA    Q    41_A      Q    41_A     0.922     0    0.067   0.138     2.647   90.476   78.095
LGA    S    42_A      S    42_A     0.777     0    0.121   0.119     1.162   88.214   85.952
LGA    G    43_A      G    43_A     0.644     0    0.061   0.061     1.672   86.190   86.190
LGA    D    44_A      D    44_A     1.349     0    0.032   0.067     2.053   83.690   78.333
LGA    Q    45_A      Q    45_A     2.175     0    0.053   0.858     2.820   66.786   63.122
LGA    S    46_A      S    46_A     2.597     0    0.031   0.059     2.912   62.857   60.952
LGA    T    47_A      T    47_A     1.562     0    0.013   0.047     1.872   77.143   77.755
LGA    V    48_A      V    48_A     1.226     0    0.056   0.089     1.891   77.143   77.755
LGA    D    49_A      D    49_A     2.269     0    0.033   0.096     3.357   66.786   61.071
LGA    S    50_A      S    50_A     1.947     0    0.018   0.667     3.582   72.857   66.587
LGA    L    51_A      L    51_A     0.882     0    0.027   0.065     1.241   88.214   89.345
LGA    L    52_A      L    52_A     1.549     0    0.052   0.079     2.152   75.000   72.917
LGA    K    53_A      K    53_A     1.865     0    0.033   0.121     2.463   72.857   69.259
LGA    Q    54_A      Q    54_A     1.273     0    0.023   0.665     2.168   81.429   78.624
LGA    L    55_A      L    55_A     1.259     0    0.016   0.081     1.854   77.143   82.679
LGA    D    56_A      D    56_A     2.339     0    0.029   0.770     4.052   66.786   58.571
LGA    A    57_A      A    57_A     2.123     0    0.049   0.045     2.172   66.786   66.381
LGA    N    58_A      N    58_A     1.401     0    0.058   0.120     1.703   75.000   82.798
LGA    A    59_A      A    59_A     2.406     0    0.044   0.056     2.864   64.762   63.238
LGA    A    60_A      A    60_A     2.338     0    0.020   0.024     2.610   68.810   66.476
LGA    R    61_A      R    61_A     0.855     0    0.027   1.109     6.157   90.595   70.649
LGA    V    62_A      V    62_A     1.387     0    0.034   0.057     2.465   81.429   75.442
LGA    E    63_A      E    63_A     1.715     0    0.019   0.117     2.212   77.143   72.063
LGA    Q    64_A      Q    64_A     1.148     0    0.022   0.131     1.785   85.952   79.630
LGA    L    65_A      L    65_A     0.658     0    0.039   0.214     1.147   90.476   90.536
LGA    L    66_A      L    66_A     1.193     0    0.062   0.130     1.845   83.690   79.345
LGA    Q    67_A      Q    67_A     0.932     0    0.054   0.079     1.679   90.476   84.497
LGA    R    68_A      R    68_A     0.555     0    0.083   1.049     5.364   90.476   75.195
LGA    I    69_A      I    69_A     0.953     0    0.021   0.058     1.339   85.952   83.690
LGA    I    70_A      I    70_A     1.014     0    0.012   0.044     1.137   85.952   83.690
LGA    S    71_A      S    71_A     0.679     0    0.030   0.655     2.267   90.476   87.778
LGA    E    72_A      E    72_A     1.010     0    0.094   0.186     1.309   83.690   86.455
LGA    T    73_A      T    73_A     1.174     0    0.151   1.134     3.702   79.286   72.381
LGA    G    74_A      G    74_A     0.729     0    0.106   0.106     0.941   90.476   90.476
LGA    D    75_A      D    75_A     1.145     0    0.041   0.162     1.872   83.690   80.417
LGA    E    76_A      E    76_A     1.080     0    0.018   0.795     4.640   85.952   68.730
LGA    L    77_A      L    77_A     0.613     0    0.047   0.064     0.810   90.476   92.857
LGA    A    78_A      A    78_A     0.729     0    0.034   0.050     0.861   90.476   90.476
LGA    R    79_A      R    79_A     0.947     0    0.035   1.429     6.970   88.214   62.165
LGA    K    80_A      K    80_A     0.694     0    0.028   0.084     0.869   90.476   90.476
LGA    G    81_A      G    81_A     0.569     0    0.046   0.046     0.817   90.476   90.476
LGA    E    82_A      E    82_A     1.149     0    0.016   0.330     1.752   81.548   81.534
LGA    S    83_A      S    83_A     1.471     0    0.077   0.562     2.377   81.429   78.651
LGA    L    84_A      L    84_A     1.272     0    0.015   0.048     1.353   81.429   81.429
LGA    F    85_A      F    85_A     1.434     0    0.072   1.277     6.910   79.286   53.983
LGA    Q    86_A      Q    86_A     1.562     0    0.029   0.161     1.729   75.000   73.810
LGA    R    87_A      R    87_A     1.498     0    0.022   1.111     7.145   79.286   58.874
LGA    N    88_A      N    88_A     1.358     0    0.024   0.115     1.396   81.429   81.429
LGA    Q    89_A      Q    89_A     1.451     0    0.016   0.732     2.399   81.429   78.624
LGA    Q    90_A      Q    90_A     1.472     0    0.058   0.091     1.552   81.429   80.476
LGA    L    91_A      L    91_A     1.457     0    0.065   0.098     1.608   79.286   80.357
LGA    F    92_A      F    92_A     1.430     0    0.010   1.093     4.478   81.429   68.225
LGA    S    93_A      S    93_A     1.157     0    0.074   0.599     1.503   85.952   83.016
LGA    Q    94_A      Q    94_A     0.777     0    0.023   0.877     2.987   92.857   80.265
LGA    L    95_A      L    95_A     0.905     0    0.025   1.380     2.564   90.476   81.012
LGA    K    96_A      K    96_A     0.730     0    0.059   0.898     5.596   90.476   66.931
LGA    T    97_A      T    97_A     0.359     0    0.014   0.041     0.477  100.000  100.000
LGA    L    98_A      L    98_A     0.248     0    0.017   0.063     0.598  100.000   98.810
LGA    F    99_A      F    99_A     0.524     0    0.060   0.354     1.432   95.238   88.918
LGA    S   100_A      S   100_A     0.437     0    0.078   0.656     1.806  100.000   93.889
LGA    Q   101_A      Q   101_A     0.379     0    0.110   0.213     1.220   97.619   93.704
LGA    G   102_A      G   102_A     0.369     0    0.081   0.081     0.569   97.619   97.619
LGA    D   103_A      D   103_A     0.333     0    0.032   0.085     0.652   97.619   95.238
LGA    E   104_A      E   104_A     0.982     0    0.067   0.108     2.029   90.476   80.741
LGA    D   105_A      D   105_A     0.786     0    0.006   0.150     1.589   90.476   86.012
LGA    T   106_A      T   106_A     0.532     0    0.011   0.112     0.769   90.476   90.476
LGA    A   107_A      A   107_A     0.490     0    0.018   0.022     0.548  100.000   98.095
LGA    K   108_A      K   108_A     0.489     0    0.020   0.538     2.143   92.857   92.910
LGA    A   109_A      A   109_A     0.447     0    0.029   0.044     0.488  100.000  100.000
LGA    V   110_A      V   110_A     0.351     0    0.012   0.044     0.579  100.000   95.918
LGA    L   111_A      L   111_A     0.417     0    0.042   0.061     0.578  100.000   96.429
LGA    E   112_A      E   112_A     0.287     0    0.016   0.077     0.781  100.000   96.825
LGA    E   113_A      E   113_A     0.445     0    0.020   0.097     1.320  100.000   91.693
LGA    I   114_A      I   114_A     0.570     0    0.032   0.050     1.185   95.238   91.726
LGA    Q   115_A      Q   115_A     0.394     0    0.047   0.961     4.298  100.000   79.841
LGA    S   116_A      S   116_A     0.469     0    0.096   0.564     2.039   97.619   90.952
LGA    N   117_A      N   117_A     0.652     0    0.011   0.050     1.089   90.476   89.345
LGA    L   118_A      L   118_A     0.590     0    0.056   0.082     1.047   92.857   90.536
LGA    N   119_A      N   119_A     0.386     0    0.024   0.053     0.761  100.000   95.238
LGA    Q   120_A      Q   120_A     0.421     0    0.026   0.111     1.023  100.000   93.704
LGA    I   121_A      I   121_A     0.355     0    0.024   0.046     1.025  100.000   94.107
LGA    Q   122_A      Q   122_A     0.341     0    0.015   0.952     3.910  100.000   80.529
LGA    Q   123_A      Q   123_A     0.614     0    0.032   0.216     1.443   92.857   88.519
LGA    I   124_A      I   124_A     0.659     0    0.029   0.662     1.786   90.476   87.143
LGA    I   125_A      I   125_A     0.254     0    0.005   0.050     1.186  100.000   94.107
LGA    T   126_A      T   126_A     0.608     0    0.076   0.074     1.239   92.857   89.252
LGA    E   127_A      E   127_A     0.680     0    0.069   0.994     3.766   88.214   75.714
LGA    A   128_A      A   128_A     0.574     0    0.033   0.050     0.897   92.857   94.286
LGA    Q   129_A      Q   129_A     0.847     0    0.030   1.256     5.572   85.952   65.926
LGA    K   130_A      K   130_A     1.379     0    0.124   0.116     2.281   79.286   73.915
LGA    R   131_A      R   131_A     1.421     0    0.088   1.433     5.268   81.429   66.190
LGA    L   132_A      L   132_A     1.307     0    0.385   0.385     2.335   75.119   81.667

# 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):     4.927          4.827                  5.937           80.022   74.907

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.10    84.280    88.022    10.050

LGA_LOCAL      RMSD:   1.104  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.451  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   4.927  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.438035 * X  +   0.194931 * Y  +  -0.877569 * Z  + -18.117146
  Y_new =  -0.225088 * X  +   0.968893 * Y  +   0.102865 * Z  +  13.694633
  Z_new =   0.870322 * X  +   0.152472 * Y  +   0.468286 * Z  +  -9.166126 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.474672 -1.055856  0.314770   [DEG:  -27.1967  -60.4961   18.0350 ]
ZXZ: -1.687479  1.083446  1.397366   [DEG:  -96.6854   62.0769   80.0632 ]
 
# END of job
