
#######################################################
#                                                     #
#                        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       1.55     1.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.55     1.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      32_B - 105_B       0.95     1.63
  LCS_AVERAGE:     41.34

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     27  128  128     74  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     27  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     27  128  128     74  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     27  128  128     38  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     27  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     27  128  128     75  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     27  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     27  128  128     74  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     27  128  128     70  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     27  128  128     54  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     27  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     27  128  128     22   93  111  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     27  128  128      4    6   10   99  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B      5  128  128      4    6   13   41   98  118  120  122  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      5  128  128      3    6    7    8   14   32   63  111  122  123  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     73  128  128      3    7   61  105  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     73  128  128      3    3    3    4   84  107  119  122  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     74  128  128     60  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     74  128  128     75  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     74  128  128     74  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     74  128  128     16   99  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     74  128  128      5   77  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     74  128  128     48  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     74  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     74  128  128     16  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     74  128  128     74  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     74  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     74  128  128     38  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     74  128  128     69  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     74  128  128     67  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     74  128  128     69  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     74  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     74  128  128     65  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     74  128  128     70  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     74  128  128     65  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     74  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     74  128  128     39  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     74  128  128      4   55  104  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     74  128  128     36  106  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     74  128  128      4   23  100  115  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     74  128  128      3   12   31  114  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B     74  128  128      3    7   14   28   79  118  120  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     74  128  128      3   10   27   92  116  118  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4  128  128      3    4    7   34   58  100  120  122  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3    4   16   39   82  118  120  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      4  128  128      0    4    9   16  105  114  120  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128      3   57   96  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     55  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     48  107  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128     13   62  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     65  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     73  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     76  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     57  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     47  108  113  116  117  120  121  123  126  127  127  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  80.45  (  41.34  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     76    108    113    116    117    120    121    123    126    127    127    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  59.38  84.38  88.28  90.62  91.41  93.75  94.53  96.09  98.44  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.56   0.66   0.71   0.88   0.96   1.16   1.38   1.44   1.44   1.55   1.55   1.55   1.55   1.55   1.55   1.55   1.55   1.55
GDT RMS_ALL_AT   1.58   1.58   1.59   1.60   1.60   1.59   1.58   1.56   1.56   1.55   1.55   1.55   1.55   1.55   1.55   1.55   1.55   1.55   1.55   1.55

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  D    62_B      D    62_B
#   possible swapping detected:  F    68_B      F    68_B
#   possible swapping detected:  D    73_B      D    73_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  D    90_B      D    90_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  D    99_B      D    99_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.620     0    0.034   0.503     2.314   90.476   82.698
LGA    V     2_B      V     2_B     0.769     0    0.061   0.093     1.068   90.476   89.184
LGA    Q     3_B      Q     3_B     0.381     0    0.009   1.188     4.594  100.000   80.688
LGA    L     4_B      L     4_B     0.324     0    0.029   0.042     0.376  100.000  100.000
LGA    V     5_B      V     5_B     0.537     0    0.018   0.094     1.062   92.857   90.544
LGA    E     6_B      E     6_B     0.175     0    0.053   0.072     0.516  100.000   98.942
LGA    S     7_B      S     7_B     0.359     0    0.018   0.062     0.534  100.000   98.413
LGA    G     8_B      G     8_B     0.306     0    0.052   0.052     0.532   97.619   97.619
LGA    G     9_B      G     9_B     0.491     0    0.140   0.140     0.497  100.000  100.000
LGA    G    10_B      G    10_B     0.845     0    0.060   0.060     0.845   95.238   95.238
LGA    S    11_B      S    11_B     0.454     0    0.187   0.782     1.866   90.833   87.778
LGA    V    12_B      V    12_B     0.586     0    0.132   1.098     2.371   90.595   83.197
LGA    Q    13_B      Q    13_B     0.558     0    0.025   0.787     1.846   90.476   84.550
LGA    A    14_B      A    14_B     0.627     0    0.032   0.045     0.912   95.238   94.286
LGA    G    15_B      G    15_B     0.362     0    0.072   0.072     0.671   97.619   97.619
LGA    G    16_B      G    16_B     0.547     0    0.062   0.062     0.547   95.238   95.238
LGA    S    17_B      S    17_B     0.531     0    0.048   0.166     0.679   90.476   90.476
LGA    L    18_B      L    18_B     0.385     0    0.025   1.336     2.944  100.000   86.726
LGA    R    19_B      R    19_B     0.437     0    0.063   0.709     2.676   97.619   89.264
LGA    L    20_B      L    20_B     0.070     0    0.014   0.101     0.381  100.000  100.000
LGA    S    21_B      S    21_B     0.377     0    0.039   0.697     2.288   97.619   92.540
LGA    C    22_B      C    22_B     0.718     0    0.047   0.071     1.023   88.214   87.460
LGA    A    23_B      A    23_B     1.023     0    0.086   0.114     1.151   88.214   86.857
LGA    A    24_B      A    24_B     0.503     0    0.015   0.015     0.659   92.857   92.381
LGA    S    25_B      S    25_B     0.167     0    0.017   0.022     1.230   92.976   90.635
LGA    G    26_B      G    26_B     1.934     0    0.061   0.061     3.054   67.262   67.262
LGA    Y    27_B      Y    27_B     3.481     0    0.623   1.107     6.298   40.833   40.357
LGA    T    28_B      T    28_B     4.836     0    0.594   0.496     6.088   29.524   26.735
LGA    Y    29_B      Y    29_B     6.683     0    0.625   1.175    13.459   19.524    6.825
LGA    S    30_B      S    30_B     3.810     0    0.633   0.803     5.283   35.952   44.286
LGA    M    31_B      M    31_B     4.546     0    0.625   0.823    11.332   42.262   23.155
LGA    Y    32_B      Y    32_B     0.868     0    0.560   1.348    11.139   85.952   40.476
LGA    C    33_B      C    33_B     0.504     0    0.019   0.231     1.163   88.214   87.460
LGA    M    34_B      M    34_B     0.735     0    0.054   0.906     4.148   92.857   85.000
LGA    G    35_B      G    35_B     0.610     0    0.016   0.016     0.747   90.476   90.476
LGA    W    36_B      W    36_B     0.349     0    0.041   0.070     0.692  100.000   96.599
LGA    F    37_B      F    37_B     0.249     0    0.042   0.083     0.371  100.000  100.000
LGA    R    38_B      R    38_B     0.315     0    0.016   0.075     1.235  100.000   93.203
LGA    Q    39_B      Q    39_B     0.204     0    0.160   0.314     1.921   97.619   90.688
LGA    A    40_B      A    40_B     1.254     0    0.042   0.049     1.442   83.690   83.238
LGA    P    41_B      P    41_B     1.642     0    0.029   0.084     2.387   79.405   73.129
LGA    G    42_B      G    42_B     0.893     0    0.280   0.280     1.143   88.214   88.214
LGA    K    43_B      K    43_B     0.800     0    0.051   0.674     2.060   90.476   82.804
LGA    E    44_B      E    44_B     1.036     0    0.023   0.774     4.790   88.214   68.466
LGA    R    45_B      R    45_B     0.547     0    0.013   0.916     4.032   92.857   77.836
LGA    E    46_B      E    46_B     0.358     0    0.087   0.562     2.036  100.000   85.979
LGA    G    47_B      G    47_B     0.476     0    0.066   0.066     1.240   92.976   92.976
LGA    V    48_B      V    48_B     0.366     0    0.059   0.052     0.493  100.000  100.000
LGA    A    49_B      A    49_B     0.221     0    0.009   0.010     0.342  100.000  100.000
LGA    G    50_B      G    50_B     0.387     0    0.004   0.004     0.452  100.000  100.000
LGA    I    51_B      I    51_B     0.356     0    0.043   0.041     0.588   97.619   96.429
LGA    C    52_B      C    52_B     0.164     0    0.056   0.139     0.625   97.619   96.825
LGA    A    53_B      A    53_B     0.380     0    0.053   0.051     0.690   97.619   96.190
LGA    N    54_B      N    54_B     0.758     0    0.004   0.246     1.508   90.476   86.012
LGA    G    55_B      G    55_B     0.528     0    0.049   0.049     0.548   92.857   92.857
LGA    K    56_B      K    56_B     0.643     0    0.035   0.521     1.539   90.476   89.630
LGA    A    57_B      A    57_B     0.545     0    0.059   0.072     0.706   90.476   90.476
LGA    I    58_B      I    58_B     0.302     0    0.027   0.044     0.351  100.000  100.000
LGA    H    59_B      H    59_B     0.393     0    0.039   1.273     5.581  100.000   69.286
LGA    Y    60_B      Y    60_B     0.154     0    0.044   0.142     0.419  100.000  100.000
LGA    V    61_B      V    61_B     0.410     0    0.042   1.219     3.160  100.000   86.463
LGA    D    62_B      D    62_B     0.216     0    0.023   0.110     0.509   97.619   98.810
LGA    S    63_B      S    63_B     0.693     0    0.071   0.070     0.921   92.857   92.063
LGA    V    64_B      V    64_B     0.323     0    0.042   0.193     0.568  100.000   98.639
LGA    K    65_B      K    65_B     0.552     0    0.020   0.663     2.874   90.476   82.910
LGA    G    66_B      G    66_B     0.607     0    0.025   0.025     0.607   90.476   90.476
LGA    R    67_B      R    67_B     0.346     0    0.059   0.408     1.529  100.000   95.801
LGA    F    68_B      F    68_B     0.246     0    0.011   0.132     0.508  100.000   99.134
LGA    T    69_B      T    69_B     0.182     0    0.028   0.061     0.286  100.000  100.000
LGA    I    70_B      I    70_B     0.184     0    0.018   0.107     0.291  100.000  100.000
LGA    S    71_B      S    71_B     0.140     0    0.032   0.071     0.247  100.000  100.000
LGA    Q    72_B      Q    72_B     0.303     0    0.025   1.004     3.163  100.000   87.249
LGA    D    73_B      D    73_B     0.578     0    0.118   0.215     1.380   97.619   90.655
LGA    N    74_B      N    74_B     0.457     0    0.012   1.067     2.296   95.238   88.810
LGA    A    75_B      A    75_B     0.699     0    0.046   0.048     0.755   90.476   90.476
LGA    K    76_B      K    76_B     0.523     0    0.096   0.232     1.357   90.476   91.587
LGA    N    77_B      N    77_B     0.521     0    0.014   0.212     1.417   95.238   90.595
LGA    T    78_B      T    78_B     0.351     0    0.043   0.079     0.435  100.000  100.000
LGA    V    79_B      V    79_B     0.277     0    0.024   0.984     2.614  100.000   90.000
LGA    Y    80_B      Y    80_B     0.139     0    0.034   0.057     0.863  100.000   96.825
LGA    L    81_B      L    81_B     0.229     0    0.010   0.084     0.323  100.000  100.000
LGA    Q    82_B      Q    82_B     0.290     0    0.025   0.091     0.579  100.000   96.825
LGA    M    83_B      M    83_B     0.338     0    0.095   0.769     2.943   97.619   93.452
LGA    N    84_B      N    84_B     0.364     0    0.021   0.213     0.980  100.000   96.429
LGA    S    85_B      S    85_B     0.243     0    0.034   0.047     0.355  100.000  100.000
LGA    L    86_B      L    86_B     0.214     0    0.027   0.121     0.343  100.000  100.000
LGA    K    87_B      K    87_B     0.239     0    0.018   0.077     0.830  100.000   96.825
LGA    P    88_B      P    88_B     0.349     0    0.045   0.071     0.444  100.000  100.000
LGA    E    89_B      E    89_B     0.350     0    0.076   0.343     0.889  100.000   96.825
LGA    D    90_B      D    90_B     0.327     0    0.035   0.069     0.517   97.619   98.810
LGA    T    91_B      T    91_B     0.272     0    0.035   0.073     0.503  100.000   98.639
LGA    A    92_B      A    92_B     0.170     0    0.038   0.059     0.258  100.000  100.000
LGA    M    93_B      M    93_B     0.274     0    0.034   1.062     2.341  100.000   91.012
LGA    Y    94_B      Y    94_B     0.325     0    0.014   0.064     0.417  100.000  100.000
LGA    Y    95_B      Y    95_B     0.235     0    0.014   0.071     0.280  100.000  100.000
LGA    C    96_B      C    96_B     0.343     0    0.038   0.678     2.521  100.000   92.857
LGA    A    97_B      A    97_B     0.336     0    0.021   0.020     0.710   97.619   96.190
LGA    A    98_B      A    98_B     0.420     0    0.058   0.081     0.532   97.619   98.095
LGA    D    99_B      D    99_B     1.164     0    0.032   0.643     1.713   81.429   80.417
LGA    S   100_B      S   100_B     2.397     0    0.083   0.079     3.249   68.810   62.540
LGA    R   101_B      R   101_B     1.425     0    0.647   0.932     3.388   69.286   68.918
LGA    G   102_B      G   102_B     2.631     0    0.621   0.621     3.369   57.262   57.262
LGA    G   103_B      G   103_B     2.948     0    0.019   0.019     3.032   61.190   61.190
LGA    I   104_B      I   104_B     4.516     0    0.169   0.733     8.123   37.262   23.929
LGA    W   105_B      W   105_B     3.859     0    0.181   0.705     9.724   38.810   27.653
LGA    Y   106_B      Y   106_B     5.938     0    0.616   0.851     9.534   19.762   10.516
LGA    E   107_B      E   107_B     5.218     0    0.655   0.488     7.662   28.810   20.053
LGA    Q   108_B      Q   108_B     5.091     0    0.099   0.145    12.474   33.214   16.561
LGA    Q   109_B      Q   109_B     2.713     0    0.646   1.477    11.221   69.048   36.508
LGA    L   110_B      L   110_B     0.490     0    0.267   0.242     1.772   92.857   86.071
LGA    S   111_B      S   111_B     0.720     0    0.093   0.445     1.408   90.476   88.968
LGA    T   112_B      T   112_B     0.457     0    0.041   0.077     1.151   92.976   91.905
LGA    L   113_B      L   113_B     1.380     0    0.078   0.221     2.189   79.405   75.119
LGA    R   114_B      R   114_B     1.934     0    0.025   1.577     7.576   72.857   49.610
LGA    Y   115_B      Y   115_B     0.930     0    0.018   0.088     1.159   85.952   85.952
LGA    N   116_B      N   116_B     0.688     0    0.025   0.193     0.729   90.476   92.857
LGA    Y   117_B      Y   117_B     0.464     0    0.080   0.269     1.948   97.619   87.738
LGA    W   118_B      W   118_B     0.215     0    0.012   0.093     0.791  100.000   95.238
LGA    G   119_B      G   119_B     0.410     0    0.025   0.025     0.410  100.000  100.000
LGA    Q   120_B      Q   120_B     0.440     0    0.060   1.054     3.186  100.000   85.344
LGA    G   121_B      G   121_B     0.503     0    0.040   0.040     0.503   97.619   97.619
LGA    T   122_B      T   122_B     0.286     0    0.015   0.105     0.434  100.000  100.000
LGA    Q   123_B      Q   123_B     0.146     0    0.033   0.201     0.783  100.000   98.942
LGA    V   124_B      V   124_B     0.210     0    0.078   0.109     0.517  100.000   98.639
LGA    T   125_B      T   125_B     0.354     0    0.066   0.432     1.269   97.619   93.333
LGA    V   126_B      V   126_B     0.432     0    0.014   0.017     0.575   95.238   97.279
LGA    S   127_B      S   127_B     0.838     0    0.092   0.657     2.518   90.476   84.921
LGA    S   128_B      S   128_B     1.236     0    0.112   0.558     2.947   79.286   75.952

# 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):     1.551          1.541                  2.530           89.037   84.630

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    123    1.16    92.773    95.628     9.736

LGA_LOCAL      RMSD:   1.163  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.558  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.551  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.731302 * X  +   0.383295 * Y  +  -0.564165 * Z  +  31.665461
  Y_new =  -0.550847 * X  +   0.155853 * Y  +   0.819925 * Z  +  -7.884759
  Z_new =   0.402200 * X  +   0.910382 * Y  +   0.097161 * Z  +  25.007822 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.496020 -0.413919  1.464473   [DEG: -143.0114  -23.7158   83.9081 ]
ZXZ: -2.538919  1.473481  0.416008   [DEG: -145.4694   84.4243   23.8355 ]
 
# END of job
