
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.33     1.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.33     1.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      32_B - 103_B       0.99     1.38
  LCS_AVERAGE:     47.27

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     Q     1_B     Q     1_B     28  128  128      6   61  104  112  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     32   97  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     74  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     74  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     50  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     65  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     53  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     15   94  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128     30   97  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      4    5   10   30   73  116  124  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      3  128  128      3    3    5    5    7   29   42   52  122  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      3    3   29   91  116  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     71  128  128      3    4   11   64  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     72  128  128      3   70  104  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     72  128  128     74  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     72  128  128     22  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     72  128  128     19   99  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     72  128  128     41  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     72  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     72  128  128     66  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     72  128  128      3    7   36   59  110  118  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     72  128  128      3   96  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     72  128  128      3    3    5    6    6   56  122  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     72  128  128      3    8   41   99  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     72  128  128     21   80  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     72  128  128     65  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     72  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     72  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     72  128  128     36  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     72  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     72  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     72  128  128     49  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     72  128  128     30   98  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     72  128  128     28   82  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     72  128  128      3   49   95  109  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B     70  128  128      3    4    5  108  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     70  128  128      4   38  106  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B     70  128  128      3    3    7    8   51  118  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B     70  128  128      3    4  105  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     70  128  128      3    5   54  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     70  128  128     12   79  106  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     70  128  128     36  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     70  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     70  128  128     29   98  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     70  128  128      4   23   96  110  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     70  128  128     56  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     70  128  128     68  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     70  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     70  128  128     71  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     70  128  128     73  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     70  128  128     75  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     70  128  128     68  101  108  114  119  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128      3   18   77  111  118  123  125  126  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  82.42  (  47.27  100.00  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     75    101    108    114    119    123    125    126    127    128    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  58.59  78.91  84.38  89.06  92.97  96.09  97.66  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.45   0.57   0.73   0.89   1.02   1.12   1.17   1.24   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33
GDT RMS_ALL_AT   1.38   1.36   1.36   1.34   1.34   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.415     0    0.441   0.975     8.160   67.024   40.529
LGA    V     2_B      V     2_B     1.392     0    0.072   0.293     1.731   77.143   79.048
LGA    Q     3_B      Q     3_B     0.501     0    0.076   0.642     3.291   95.238   76.984
LGA    L     4_B      L     4_B     0.317     0    0.042   0.054     0.364  100.000  100.000
LGA    V     5_B      V     5_B     0.421     0    0.081   0.183     0.834   97.619   97.279
LGA    E     6_B      E     6_B     0.211     0    0.029   0.191     0.627  100.000   98.942
LGA    S     7_B      S     7_B     0.264     0    0.020   0.736     1.955  100.000   93.889
LGA    G     8_B      G     8_B     0.223     0    0.033   0.033     0.278  100.000  100.000
LGA    G     9_B      G     9_B     0.097     0    0.104   0.104     0.245  100.000  100.000
LGA    G    10_B      G    10_B     0.802     0    0.053   0.053     0.802   95.238   95.238
LGA    S    11_B      S    11_B     0.297     0    0.148   0.594     2.633   92.976   88.175
LGA    V    12_B      V    12_B     0.359     0    0.104   1.140     2.477   97.619   88.571
LGA    Q    13_B      Q    13_B     0.529     0    0.021   0.506     2.575   97.619   88.942
LGA    A    14_B      A    14_B     0.534     0    0.064   0.080     0.688   97.619   96.190
LGA    G    15_B      G    15_B     0.239     0    0.078   0.078     0.401  100.000  100.000
LGA    G    16_B      G    16_B     0.194     0    0.029   0.029     0.265  100.000  100.000
LGA    S    17_B      S    17_B     0.351     0    0.047   0.063     0.479  100.000  100.000
LGA    L    18_B      L    18_B     0.281     0    0.036   0.148     0.887  100.000   96.429
LGA    R    19_B      R    19_B     0.336     0    0.043   0.737     2.852  100.000   88.571
LGA    L    20_B      L    20_B     0.225     0    0.026   0.077     0.515   97.619   98.810
LGA    S    21_B      S    21_B     0.553     0    0.034   0.213     0.655   92.857   92.063
LGA    C    22_B      C    22_B     0.766     0    0.032   0.044     1.064   90.476   88.968
LGA    A    23_B      A    23_B     0.964     0    0.062   0.064     1.043   90.476   88.667
LGA    A    24_B      A    24_B     0.364     0    0.025   0.066     0.590   95.238   94.286
LGA    S    25_B      S    25_B     0.465     0    0.060   0.077     1.074   92.976   95.317
LGA    G    26_B      G    26_B     1.593     0    0.682   0.682     4.363   64.048   64.048
LGA    Y    27_B      Y    27_B     1.604     0    0.543   0.814     3.832   63.690   69.444
LGA    T    28_B      T    28_B     4.529     0    0.458   0.375     7.271   31.548   22.789
LGA    Y    29_B      Y    29_B     5.793     0    0.609   1.028    12.891   29.048   10.754
LGA    S    30_B      S    30_B     3.263     0    0.576   0.843     4.333   45.357   50.714
LGA    M    31_B      M    31_B     2.863     0    0.654   0.853    10.859   67.143   38.452
LGA    Y    32_B      Y    32_B     2.079     0    0.566   1.386    13.312   70.952   29.802
LGA    C    33_B      C    33_B     0.175     0    0.034   0.516     1.173   92.976   90.635
LGA    M    34_B      M    34_B     0.464     0    0.032   1.065     4.268   95.238   82.976
LGA    G    35_B      G    35_B     0.809     0    0.041   0.041     0.809   90.476   90.476
LGA    W    36_B      W    36_B     0.532     0    0.022   0.050     0.625   92.857   91.156
LGA    F    37_B      F    37_B     0.474     0    0.022   0.109     0.578  100.000   98.268
LGA    R    38_B      R    38_B     0.280     0    0.034   0.096     0.563  100.000   99.134
LGA    Q    39_B      Q    39_B     0.476     0    0.049   0.264     1.249   95.238   91.587
LGA    A    40_B      A    40_B     1.054     0    0.053   0.057     1.130   83.690   83.238
LGA    P    41_B      P    41_B     1.241     0    0.614   0.777     2.879   77.619   75.646
LGA    G    42_B      G    42_B     1.056     0    0.346   0.346     1.959   79.286   79.286
LGA    K    43_B      K    43_B     0.759     0    0.063   0.897     3.829   90.476   81.323
LGA    E    44_B      E    44_B     0.809     0    0.020   0.717     2.726   90.476   78.095
LGA    R    45_B      R    45_B     0.688     0    0.068   0.415     2.087   88.214   83.290
LGA    E    46_B      E    46_B     0.660     0    0.036   0.585     1.941   92.857   85.608
LGA    G    47_B      G    47_B     0.753     0    0.038   0.038     0.812   90.476   90.476
LGA    V    48_B      V    48_B     0.230     0    0.025   0.081     0.441  100.000  100.000
LGA    A    49_B      A    49_B     0.366     0    0.031   0.030     0.397  100.000  100.000
LGA    G    50_B      G    50_B     0.441     0    0.047   0.047     0.551   97.619   97.619
LGA    I    51_B      I    51_B     0.351     0    0.060   0.124     0.618  100.000   98.810
LGA    C    52_B      C    52_B     0.541     0    0.023   0.897     4.971   80.119   69.444
LGA    A    53_B      A    53_B     3.872     0    0.443   0.422     6.043   47.381   41.333
LGA    N    54_B      N    54_B     1.383     0    0.429   0.596     4.709   79.405   63.274
LGA    G    55_B      G    55_B     3.941     0    0.169   0.169     3.941   55.595   55.595
LGA    K    56_B      K    56_B     2.846     0    0.084   0.895     8.760   58.214   33.386
LGA    A    57_B      A    57_B     1.595     0    0.162   0.179     1.776   79.286   78.000
LGA    I    58_B      I    58_B     0.571     0    0.088   1.138     2.884   95.238   82.262
LGA    H    59_B      H    59_B     0.267     0    0.035   0.908     4.136  100.000   76.048
LGA    Y    60_B      Y    60_B     0.147     0    0.034   0.150     0.584  100.000   97.619
LGA    V    61_B      V    61_B     0.173     0    0.022   0.251     0.900  100.000   97.279
LGA    D    62_B      D    62_B     0.292     0    0.025   0.232     0.807  100.000   98.810
LGA    S    63_B      S    63_B     0.380     0    0.043   0.041     0.486  100.000  100.000
LGA    V    64_B      V    64_B     0.257     0    0.025   0.120     0.298  100.000  100.000
LGA    K    65_B      K    65_B     0.375     0    0.045   0.638     1.526   97.619   90.688
LGA    G    66_B      G    66_B     0.677     0    0.039   0.039     0.858   90.476   90.476
LGA    R    67_B      R    67_B     0.527     0    0.030   0.199     0.595   92.857   94.805
LGA    F    68_B      F    68_B     0.376     0    0.013   0.068     0.461  100.000  100.000
LGA    T    69_B      T    69_B     0.345     0    0.057   0.895     2.610  100.000   92.517
LGA    I    70_B      I    70_B     0.199     0    0.011   0.120     0.654  100.000   98.810
LGA    S    71_B      S    71_B     0.148     0    0.038   0.070     0.304  100.000  100.000
LGA    Q    72_B      Q    72_B     0.522     0    0.039   1.532     3.643   92.857   77.831
LGA    D    73_B      D    73_B     0.567     0    0.092   0.259     1.335   92.857   89.405
LGA    N    74_B      N    74_B     0.976     0    0.078   1.090     3.802   90.476   80.119
LGA    A    75_B      A    75_B     0.949     0    0.051   0.053     1.019   90.476   88.667
LGA    K    76_B      K    76_B     0.436     0    0.135   1.448     4.651   95.238   84.444
LGA    N    77_B      N    77_B     0.644     0    0.033   0.414     2.008   90.476   83.929
LGA    T    78_B      T    78_B     0.378     0    0.044   0.114     0.459  100.000  100.000
LGA    V    79_B      V    79_B     0.318     0    0.013   0.042     0.343  100.000  100.000
LGA    Y    80_B      Y    80_B     0.352     0    0.047   0.076     0.440  100.000  100.000
LGA    L    81_B      L    81_B     0.506     0    0.051   0.059     0.600   97.619   97.619
LGA    Q    82_B      Q    82_B     0.496     0    0.048   0.106     0.619   97.619   94.709
LGA    M    83_B      M    83_B     0.368     0    0.056   0.545     2.253  100.000   95.595
LGA    N    84_B      N    84_B     0.246     0    0.051   0.865     3.105  100.000   91.429
LGA    S    85_B      S    85_B     0.136     0    0.038   0.078     0.213  100.000  100.000
LGA    L    86_B      L    86_B     0.122     0    0.042   0.064     0.298  100.000  100.000
LGA    K    87_B      K    87_B     0.373     0    0.024   0.148     0.905  100.000   97.884
LGA    P    88_B      P    88_B     0.410     0    0.028   0.062     0.454  100.000  100.000
LGA    E    89_B      E    89_B     0.136     0    0.086   1.081     3.882  100.000   78.571
LGA    D    90_B      D    90_B     0.228     0    0.032   0.055     0.292  100.000  100.000
LGA    T    91_B      T    91_B     0.196     0    0.015   0.089     0.254  100.000  100.000
LGA    A    92_B      A    92_B     0.273     0    0.034   0.033     0.332  100.000  100.000
LGA    M    93_B      M    93_B     0.302     0    0.056   0.210     0.892  100.000   98.810
LGA    Y    94_B      Y    94_B     0.307     0    0.022   0.100     0.335  100.000  100.000
LGA    Y    95_B      Y    95_B     0.389     0    0.021   0.091     0.516  100.000   98.413
LGA    C    96_B      C    96_B     0.355     0    0.049   0.096     0.671   97.619   96.825
LGA    A    97_B      A    97_B     0.330     0    0.037   0.055     0.708   97.619   98.095
LGA    A    98_B      A    98_B     0.400     0    0.048   0.103     0.510  100.000   98.095
LGA    D    99_B      D    99_B     0.924     0    0.085   0.606     2.457   88.214   85.000
LGA    S   100_B      S   100_B     1.354     0    0.095   0.135     2.812   85.952   77.619
LGA    R   101_B      R   101_B     1.475     0    0.101   0.970     7.843   79.286   54.848
LGA    G   102_B      G   102_B     1.484     0    0.068   0.068     2.029   75.119   75.119
LGA    G   103_B      G   103_B     2.611     0    0.110   0.110     3.862   57.500   57.500
LGA    I   104_B      I   104_B     2.445     0    0.150   0.747     7.056   64.881   47.024
LGA    W   105_B      W   105_B     1.922     0    0.406   1.258    10.246   61.548   33.741
LGA    Y   106_B      Y   106_B     3.776     0    0.577   0.993     4.731   48.452   51.111
LGA    E   107_B      E   107_B     2.248     0    0.220   0.913     5.855   64.762   49.259
LGA    Q   108_B      Q   108_B     2.411     0    0.204   0.255     4.937   68.810   54.233
LGA    Q   109_B      Q   109_B     1.590     0    0.077   0.731     4.073   79.405   66.508
LGA    L   110_B      L   110_B     1.063     0    0.163   0.423     3.418   88.333   72.798
LGA    S   111_B      S   111_B     0.529     0    0.092   0.456     1.640   95.238   90.714
LGA    T   112_B      T   112_B     0.307     0    0.058   0.155     1.203   95.238   90.612
LGA    L   113_B      L   113_B     1.676     0    0.067   1.302     2.796   71.310   74.702
LGA    R   114_B      R   114_B     2.510     0    0.096   1.186    10.597   62.976   35.584
LGA    Y   115_B      Y   115_B     1.065     0    0.031   0.204     1.478   83.690   82.183
LGA    N   116_B      N   116_B     0.646     0    0.070   0.363     3.026   90.476   78.036
LGA    Y   117_B      Y   117_B     0.521     0    0.030   0.253     1.331   95.238   86.786
LGA    W   118_B      W   118_B     0.272     0    0.059   0.085     0.844  100.000   93.878
LGA    G   119_B      G   119_B     0.572     0    0.045   0.045     0.572   97.619   97.619
LGA    Q   120_B      Q   120_B     0.505     0    0.038   1.487     6.206   97.619   68.466
LGA    G   121_B      G   121_B     0.591     0    0.093   0.093     0.828   92.857   92.857
LGA    T   122_B      T   122_B     0.312     0    0.033   0.055     0.486  100.000  100.000
LGA    Q   123_B      Q   123_B     0.143     0    0.031   0.998     2.296  100.000   93.069
LGA    V   124_B      V   124_B     0.145     0    0.078   0.123     0.559   97.619   98.639
LGA    T   125_B      T   125_B     0.168     0    0.552   0.611     3.319   82.857   84.898
LGA    V   126_B      V   126_B     0.173     0    0.093   0.098     0.432  100.000  100.000
LGA    S   127_B      S   127_B     0.637     0    0.053   0.762     1.955   81.667   81.587
LGA    S   128_B      S   128_B     2.912     0    0.637   0.842     3.365   57.262   58.492

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.332          1.344                  2.394           88.984   83.705

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    126    1.17    91.602    95.446     9.883

LGA_LOCAL      RMSD:   1.175  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.335  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.332  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.308601 * X  +   0.951166 * Y  +   0.006962 * Z  +  51.361034
  Y_new =   0.946900 * X  +   0.307894 * Y  +  -0.092635 * Z  +  -3.047263
  Z_new =  -0.090255 * X  +  -0.021995 * Y  +  -0.995676 * Z  + -12.329166 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.885848  0.090378 -3.119506   [DEG:  108.0511    5.1783 -178.7345 ]
ZXZ:  0.075014  3.048562 -1.809835   [DEG:    4.2980  174.6698 -103.6959 ]
 
# END of job
