
#######################################################
#                                                     #
#                        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  159 ( 1222),  selected  131 , name one
# Molecule2: number of CA atoms  131 (  992),  selected  131 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   131       4_A - 151_A       3.22     3.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       4_A - 148_A       1.99     3.28
  LCS_AVERAGE:     95.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       5_A - 42_A        0.98     3.43
  LCS_AVERAGE:     20.81

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  131
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     E     4_A     E     4_A      3  128  131      3   18   37   49   68  108  120  122  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K     5_A     K     5_A     38  128  131     10   72   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T     6_A     T     6_A     38  128  131     28   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V     7_A     V     7_A     38  128  131     19   69   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y     8_A     Y     8_A     38  128  131     38   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G     9_A     G     9_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    10_A     L    10_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    11_A     N    11_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    12_A     E    12_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y    13_A     Y    13_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    14_A     A    14_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    15_A     A    15_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    16_A     L    16_A     38  128  131     39   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    17_A     D    17_A     38  128  131     24   67   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    18_A     G    18_A     38  128  131      3   13   76  104  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    19_A     I    19_A     38  128  131     21   69   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    20_A     N    20_A     38  128  131      5   54   94  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    21_A     L    21_A     38  128  131      5   67   95  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    22_A     E    22_A     38  128  131     21   49   95  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    23_A     V    23_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    24_A     A    24_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    25_A     A    25_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    26_A     K    26_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    27_A     L    27_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    28_A     D    28_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T    29_A     T    29_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    30_A     G    30_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    31_A     A    31_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    32_A     K    32_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T    33_A     T    33_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    34_A     A    34_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    35_A     S    35_A     38  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    36_A     L    36_A     38  128  131     30   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    37_A     S    37_A     38  128  131     19   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    38_A     A    38_A     38  128  131     22   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    39_A     R    39_A     38  128  131      7   52   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    40_A     D    40_A     38  128  131     13   67   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    41_A     I    41_A     38  128  131     12   67   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    42_A     K    42_A     38  128  131      8   67   95  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    43_A     R    43_A     36  128  131      8   53   92  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F    44_A     F    44_A     36  128  131      9   46   85  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    45_A     K    45_A     36  128  131      8   41   85  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    46_A     R    46_A     36  128  131      6   39   85  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    47_A     N    47_A     36  128  131     13   53   85  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    48_A     G    48_A     36  128  131     13   51   85  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    49_A     E    49_A     36  128  131     13   40   85  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    50_A     S    50_A     36  128  131     13   54   91  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     W    51_A     W    51_A     36  128  131     10   59   95  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    52_A     V    52_A     36  128  131     27   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    53_A     R    53_A     36  128  131     27   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F    54_A     F    54_A     36  128  131     28   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y    55_A     Y    55_A     36  128  131     21   72   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    56_A     L    56_A     36  128  131     21   69   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    57_A     A    57_A     36  128  131      3    8   20   46  109  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    58_A     I    58_A     36  128  131      3   57   95  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    59_A     D    59_A      4  128  131      3    3   10   29   45   65   93  116  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    60_A     A    60_A      4  128  131      3    3    4   34   58   68   78  102  118  123  125  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    61_A     A    61_A      4  128  131      3    8   15   60  104  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     H    62_A     H    62_A      4  128  131      1   18   30   55   87  107  119  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    63_A     S    63_A      9  128  131      4    6   19   36   74  109  119  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     H    64_A     H    64_A     12  128  131      8   22   75   99  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    65_A     P    65_A     12  128  131      8   70   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    66_A     I    66_A     12  128  131     29   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    67_A     E    67_A     12  128  131      8   63   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    68_A     R    68_A     12  128  131      9   29   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    69_A     P    69_A     12  128  131      8   27   86  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    70_A     L    70_A     12  128  131     29   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    71_A     A    71_A     12  128  131     28   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    72_A     R    72_A     12  128  131     28   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    73_A     V    73_A     12  128  131     19   71   96  109  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    74_A     S    74_A     12  128  131     14   72   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    75_A     K    75_A     12  128  131      5   49   93  106  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    93_A     A    93_A      5  128  131      3    4    6   10   19   33   77   99  118  124  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    94_A     R    94_A     25  128  131     23   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    95_A     P    95_A     25  128  131     21   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    96_A     V    96_A     25  128  131     36   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    97_A     I    97_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    98_A     E    98_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    99_A     L    99_A     25  128  131     39   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   100_A     D   100_A     25  128  131     30   69   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   101_A     I   101_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     C   102_A     C   102_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     M   103_A     M   103_A     25  128  131     37   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   104_A     G   104_A     25  128  131     18   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   105_A     S   105_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   106_A     A   106_A     25  128  131     18   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     M   107_A     M   107_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   108_A     R   108_A     25  128  131     27   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   109_A     S   109_A     25  128  131     30   72   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   110_A     I   110_A     25  128  131     29   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E   111_A     E   111_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V   112_A     V   112_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N   113_A     N   113_A     25  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   114_A     L   114_A     25  128  131     38   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T   115_A     T   115_A     25  128  131     36   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   116_A     D   116_A     25  128  131     11   61   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   117_A     R   117_A     25  128  131      3   21   90  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   118_A     S   118_A     25  128  131     21   75   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   119_A     A   119_A      3  128  131      3    3    3    9   48  100  117  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F   120_A     F   120_A      3  128  131      1    3    5   79  111  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Q   121_A     Q   121_A     27  128  131      8   18   69   94  111  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y   122_A     Y   122_A     27  128  131     34   75   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   123_A     P   123_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   124_A     L   124_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   125_A     L   125_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   126_A     I   126_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   127_A     G   127_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   128_A     S   128_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E   129_A     E   129_A     27  128  131     37   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   130_A     A   130_A     27  128  131     37   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   131_A     L   131_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   132_A     K   132_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   133_A     R   133_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F   134_A     F   134_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   135_A     D   135_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   136_A     A   136_A     27  128  131     39   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   137_A     L   137_A     27  128  131     32   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V   138_A     V   138_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   139_A     D   139_A     27  128  131     37   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   140_A     P   140_A     27  128  131     32   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   141_A     S   141_A     27  128  131     32   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   142_A     L   142_A     27  128  131     38   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   143_A     K   143_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y   144_A     Y   144_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   145_A     A   145_A     27  128  131     41   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   146_A     A   146_A     27  128  131     30   77   96  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   147_A     G   147_A     27  128  131      5   38   79  110  114  118  120  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   148_A     K   148_A      4  128  131      3    4    7   20   33   49   66   93  116  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   149_A     P   149_A      4    5  131      3    4    4    4    6    7    8   19   23   27   43   54   64   84   98  120  128  129  129  129 
LCS_GDT     A   150_A     A   150_A      4    5  131      3    4    4    4    6    6    7    9   10   12   16   19   20   21   34   35   51   66   78   91 
LCS_GDT     C   151_A     C   151_A      3    5  131      3    3    3    4    6    6    6    6    8    8    8    9    9   12   17   17   18   18   19   24 
LCS_AVERAGE  LCS_A:  72.12  (  20.81   95.56  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     41     77     96    110    114    118    120    123    124    125    126    127    128    128    128    128    128    129    129    129 
GDT PERCENT_AT  31.30  58.78  73.28  83.97  87.02  90.08  91.60  93.89  94.66  95.42  96.18  96.95  97.71  97.71  97.71  97.71  97.71  98.47  98.47  98.47
GDT RMS_LOCAL    0.33   0.62   0.83   1.11   1.16   1.26   1.34   1.55   1.62   1.76   1.80   1.90   1.99   1.99   1.99   1.99   1.99   2.28   2.28   2.28
GDT RMS_ALL_AT   3.46   3.43   3.43   3.37   3.37   3.36   3.35   3.32   3.31   3.29   3.30   3.28   3.28   3.28   3.28   3.28   3.28   3.26   3.26   3.26

# Checking swapping
#   possible swapping detected:  D    17_A      D    17_A
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  Y    55_A      Y    55_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  Y   122_A      Y   122_A
#   possible swapping detected:  E   129_A      E   129_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     5.715     4    0.602   0.590     7.595   29.405   13.862
LGA    K     5_A      K     5_A     1.041     0    0.528   1.046     9.994   83.690   48.995
LGA    T     6_A      T     6_A     0.726     0    0.031   1.146     3.106   88.214   78.639
LGA    V     7_A      V     7_A     1.076     0    0.082   1.088     2.673   81.548   75.578
LGA    Y     8_A      Y     8_A     0.499     0    0.036   0.107     1.232   97.619   90.595
LGA    G     9_A      G     9_A     0.306     0    0.041   0.041     0.637   97.619   97.619
LGA    L    10_A      L    10_A     0.703     0    0.100   1.146     4.072   97.619   79.881
LGA    N    11_A      N    11_A     0.333     0    0.030   1.052     4.243  100.000   79.702
LGA    E    12_A      E    12_A     0.397     0    0.051   0.135     0.711   95.238   96.825
LGA    Y    13_A      Y    13_A     0.522     0    0.047   0.174     1.450   97.619   89.841
LGA    A    14_A      A    14_A     0.518     0    0.048   0.062     0.519   92.857   94.286
LGA    A    15_A      A    15_A     0.490     0    0.025   0.032     0.581   97.619   96.190
LGA    L    16_A      L    16_A     0.689     0    0.112   0.253     1.873   90.595   86.071
LGA    D    17_A      D    17_A     1.334     0    0.651   0.987     3.197   75.357   70.238
LGA    G    18_A      G    18_A     2.457     0    0.025   0.025     2.457   66.786   66.786
LGA    I    19_A      I    19_A     1.510     0    0.564   1.456     4.800   67.143   62.321
LGA    N    20_A      N    20_A     2.096     0    0.117   0.925     5.693   66.786   52.083
LGA    L    21_A      L    21_A     1.756     0    0.089   1.167     3.944   72.857   63.512
LGA    E    22_A      E    22_A     1.872     0    0.019   1.093     7.118   75.000   50.212
LGA    V    23_A      V    23_A     0.813     0    0.083   0.184     1.483   90.476   87.891
LGA    A    24_A      A    24_A     1.026     0    0.050   0.053     1.241   83.690   83.238
LGA    A    25_A      A    25_A     0.495     0    0.040   0.037     0.551   97.619   96.190
LGA    K    26_A      K    26_A     0.496     0    0.065   1.022     3.596   95.238   85.450
LGA    L    27_A      L    27_A     0.423     0    0.044   0.061     0.773  100.000   95.238
LGA    D    28_A      D    28_A     0.355     0    0.010   0.043     0.738  100.000   96.429
LGA    T    29_A      T    29_A     0.398     0    0.015   0.042     0.554   97.619   98.639
LGA    G    30_A      G    30_A     0.667     0    0.032   0.032     0.667   90.476   90.476
LGA    A    31_A      A    31_A     0.425     0    0.020   0.028     0.497  100.000  100.000
LGA    K    32_A      K    32_A     0.615     0    0.024   0.842     4.438   90.476   73.439
LGA    T    33_A      T    33_A     0.867     0    0.017   0.063     1.335   90.476   86.599
LGA    A    34_A      A    34_A     0.751     0    0.051   0.053     0.775   90.476   90.476
LGA    S    35_A      S    35_A     0.679     0    0.044   0.664     2.259   90.476   86.190
LGA    L    36_A      L    36_A     0.978     0    0.015   0.096     1.330   90.476   89.345
LGA    S    37_A      S    37_A     1.118     0    0.023   0.065     1.718   85.952   81.587
LGA    A    38_A      A    38_A     0.817     0    0.057   0.082     1.640   83.810   87.048
LGA    R    39_A      R    39_A     1.625     0    0.081   1.111     6.643   79.286   59.134
LGA    D    40_A      D    40_A     1.503     0    0.037   0.161     1.607   77.143   78.214
LGA    I    41_A      I    41_A     1.428     0    0.031   0.128     1.668   75.000   78.214
LGA    K    42_A      K    42_A     1.620     4    0.119   0.139     1.656   75.000   41.429
LGA    R    43_A      R    43_A     2.075     0    0.009   1.438     5.828   62.857   45.887
LGA    F    44_A      F    44_A     2.653     0    0.078   1.171     5.701   60.952   48.961
LGA    K    45_A      K    45_A     2.707     0    0.022   1.445     8.563   57.143   39.894
LGA    R    46_A      R    46_A     2.821     0    0.056   1.439     6.436   57.143   51.342
LGA    N    47_A      N    47_A     2.523     0    0.039   0.366     3.025   57.143   57.202
LGA    G    48_A      G    48_A     2.527     0    0.091   0.091     2.884   59.048   59.048
LGA    E    49_A      E    49_A     2.344     0    0.069   0.960     4.497   64.762   56.772
LGA    S    50_A      S    50_A     1.776     0    0.031   0.671     2.385   77.143   74.365
LGA    W    51_A      W    51_A     1.269     0    0.046   1.106     4.806   83.690   62.959
LGA    V    52_A      V    52_A     0.492     0    0.032   0.978     2.477   95.238   87.211
LGA    R    53_A      R    53_A     0.566     0    0.051   1.187     5.376   90.476   77.532
LGA    F    54_A      F    54_A     0.690     0    0.034   0.157     0.690   90.476   93.939
LGA    Y    55_A      Y    55_A     1.285     0    0.091   1.202     7.906   83.690   53.929
LGA    L    56_A      L    56_A     1.239     0    0.138   1.085     4.063   77.143   70.595
LGA    A    57_A      A    57_A     3.063     0    0.660   0.608     4.411   65.119   59.524
LGA    I    58_A      I    58_A     1.635     0    0.645   0.664     3.390   65.000   69.345
LGA    D    59_A      D    59_A     6.437     0    0.478   1.395    11.421   16.667    8.512
LGA    A    60_A      A    60_A     7.192     0    0.116   0.119     8.311   13.929   12.095
LGA    A    61_A      A    61_A     3.785     0    0.636   0.586     6.183   32.262   35.810
LGA    H    62_A      H    62_A     5.211     0    0.433   0.957     6.617   25.714   26.238
LGA    S    63_A      S    63_A     4.480     0    0.580   0.753     6.129   40.238   34.048
LGA    H    64_A      H    64_A     2.711     0    0.204   0.642     3.768   59.167   52.381
LGA    P    65_A      P    65_A     1.282     0    0.021   0.059     2.145   79.286   76.599
LGA    I    66_A      I    66_A     0.421     0    0.170   0.215     0.874   97.619   94.048
LGA    E    67_A      E    67_A     1.150     0    0.105   0.276     1.838   81.548   78.624
LGA    R    68_A      R    68_A     1.448     0    0.028   0.559     3.234   81.429   73.247
LGA    P    69_A      P    69_A     1.857     0    0.041   0.347     2.446   77.143   74.150
LGA    L    70_A      L    70_A     0.563     0    0.067   1.276     3.147   85.952   82.143
LGA    A    71_A      A    71_A     1.240     0    0.210   0.226     1.857   79.286   81.524
LGA    R    72_A      R    72_A     1.368     0    0.020   1.521     5.758   81.429   56.234
LGA    V    73_A      V    73_A     1.663     0    0.145   1.148     4.033   75.000   71.497
LGA    S    74_A      S    74_A     1.540     0    0.039   0.604     3.999   66.905   63.968
LGA    K    75_A      K    75_A     2.432     4    0.092   0.111     2.707   62.976   35.185
LGA    A    93_A      A    93_A     6.344     0    0.449   0.446     7.645   20.476   19.810
LGA    R    94_A      R    94_A     1.126     4    0.322   0.794     2.460   77.262   48.009
LGA    P    95_A      P    95_A     1.025     0    0.013   0.326     1.106   88.214   87.891
LGA    V    96_A      V    96_A     0.618     0    0.034   0.124     0.767   90.476   94.558
LGA    I    97_A      I    97_A     1.002     0    0.026   1.586     4.598   83.690   71.190
LGA    E    98_A      E    98_A     1.191     0    0.053   0.647     4.205   79.286   64.921
LGA    L    99_A      L    99_A     1.185     0    0.030   1.376     4.267   81.429   73.750
LGA    D   100_A      D   100_A     1.470     0    0.057   0.312     3.894   81.429   70.476
LGA    I   101_A      I   101_A     0.650     0    0.025   0.649     1.829   90.476   89.464
LGA    C   102_A      C   102_A     0.496     0    0.029   0.131     0.968   92.857   93.651
LGA    M   103_A      M   103_A     0.862     0    0.033   0.177     1.590   88.214   86.012
LGA    G   104_A      G   104_A     1.180     0    0.075   0.075     1.304   81.429   81.429
LGA    S   105_A      S   105_A     1.112     0    0.033   0.050     1.363   81.429   81.429
LGA    A   106_A      A   106_A     1.262     0    0.070   0.072     1.414   83.690   83.238
LGA    M   107_A      M   107_A     0.882     0    0.046   1.023     4.185   83.690   75.119
LGA    R   108_A      R   108_A     1.260     0    0.080   0.203     1.858   81.429   79.091
LGA    S   109_A      S   109_A     1.397     0    0.082   0.605     1.884   81.429   81.508
LGA    I   110_A      I   110_A     0.979     0    0.026   0.633     1.374   88.214   87.083
LGA    E   111_A      E   111_A     0.842     0    0.018   0.562     2.458   90.476   81.746
LGA    V   112_A      V   112_A     0.579     0    0.020   0.063     0.829   90.476   90.476
LGA    N   113_A      N   113_A     0.631     0    0.041   0.280     1.357   90.476   89.345
LGA    L   114_A      L   114_A     0.663     0    0.033   0.057     0.802   90.476   90.476
LGA    T   115_A      T   115_A     0.586     0    0.023   1.080     2.175   88.214   82.993
LGA    D   116_A      D   116_A     1.344     0    0.296   0.542     1.994   83.690   79.345
LGA    R   117_A      R   117_A     1.676     0    0.129   1.495    12.312   79.405   38.918
LGA    S   118_A      S   118_A     1.166     0    0.630   0.711     5.203   73.214   61.508
LGA    A   119_A      A   119_A     5.131     0    0.622   0.559     7.657   31.190   26.381
LGA    F   120_A      F   120_A     3.279     0    0.546   1.425     8.000   65.714   33.810
LGA    Q   121_A      Q   121_A     3.098     0    0.587   1.108    10.444   55.476   28.995
LGA    Y   122_A      Y   122_A     1.494     0    0.042   0.379     1.940   79.286   83.730
LGA    P   123_A      P   123_A     0.835     0    0.790   1.016     4.148   72.738   80.340
LGA    L   124_A      L   124_A     0.721     0    0.035   0.114     1.136   90.476   88.214
LGA    L   125_A      L   125_A     0.620     0    0.055   0.156     0.789   90.476   91.667
LGA    I   126_A      I   126_A     0.542     0    0.068   0.166     0.725   90.476   92.857
LGA    G   127_A      G   127_A     0.450     0    0.059   0.059     0.457  100.000  100.000
LGA    S   128_A      S   128_A     0.636     0    0.030   0.035     0.986   90.476   90.476
LGA    E   129_A      E   129_A     1.009     0    0.016   1.088     3.672   88.214   78.307
LGA    A   130_A      A   130_A     0.729     0    0.029   0.029     0.779   92.857   92.381
LGA    L   131_A      L   131_A     0.380     0    0.041   0.132     0.576   97.619   97.619
LGA    K   132_A      K   132_A     0.523     0    0.010   0.814     3.042   92.857   85.450
LGA    R   133_A      R   133_A     0.614     0    0.041   1.098     3.133   95.238   83.290
LGA    F   134_A      F   134_A     0.401     0    0.034   0.229     1.222  100.000   92.294
LGA    D   135_A      D   135_A     0.635     0    0.037   0.904     3.266   92.857   79.226
LGA    A   136_A      A   136_A     0.457     0    0.052   0.068     0.816   95.238   96.190
LGA    L   137_A      L   137_A     1.046     0    0.124   1.183     4.442   88.214   70.595
LGA    V   138_A      V   138_A     0.277     0    0.028   0.031     0.693   95.238   93.197
LGA    D   139_A      D   139_A     0.453     0    0.018   0.140     0.902  100.000   95.238
LGA    P   140_A      P   140_A     0.740     0    0.046   0.084     1.228   90.476   87.891
LGA    S   141_A      S   141_A     0.447     0    0.057   0.593     2.218   97.619   92.540
LGA    L   142_A      L   142_A     0.041     0    0.023   0.099     0.876  100.000   96.429
LGA    K   143_A      K   143_A     0.725     0    0.098   0.760     3.133   90.595   84.074
LGA    Y   144_A      Y   144_A     0.933     0    0.025   0.118     1.710   88.214   81.548
LGA    A   145_A      A   145_A     1.064     0    0.016   0.033     1.380   88.214   86.857
LGA    A   146_A      A   146_A     1.013     0    0.069   0.078     1.560   81.548   79.810
LGA    G   147_A      G   147_A     2.251     0    0.278   0.278     3.840   58.214   58.214
LGA    K   148_A      K   148_A     7.248     4    0.070   0.071     9.684    9.524    4.550
LGA    P   149_A      P   149_A    13.067     0    0.639   0.631    15.369    0.000    0.068
LGA    A   150_A      A   150_A    17.425     0    0.449   0.464    18.444    0.000    0.000
LGA    C   151_A      C   151_A    21.317     0    0.478   0.754    24.953    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      131     524    524  100.00     992    992  100.00               131
SUMMARY(RMSD_GDC):     3.225          3.304                  3.533           77.950   71.595

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  159  131    4.0    123    1.55    83.588    89.268     7.455

LGA_LOCAL      RMSD:   1.550  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.319  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   3.225  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.187047 * X  +   0.817473 * Y  +   0.544749 * Z  + -23.873638
  Y_new =  -0.644251 * X  +  -0.520707 * Y  +   0.560182 * Z  +  11.180253
  Z_new =   0.741588 * X  +  -0.246175 * Y  +   0.624055 * Z  +  -6.704126 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.853361 -0.835435 -0.375736   [DEG: -106.1898  -47.8669  -21.5281 ]
ZXZ:  2.370161  0.896875  1.891307   [DEG:  135.8002   51.3871  108.3639 ]
 
# END of job
