
#######################################################
#                                                     #
#                        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       2.01     2.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       1_B - 106_B       1.89     2.02
  LCS_AVERAGE:     81.74

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      32_B - 101_B       0.94     2.12
  LCS_AVERAGE:     37.09

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  106  128     32   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  106  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  106  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  106  128     36   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  106  128     36   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  106  128     22   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  106  128     32   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  106  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  106  128     36   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  106  128     31   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  106  128     22   85  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  106  128     32   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  106  128      6   66   99  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  106  128      4   50   95  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  106  128      3    9   22   82  107  115  118  120  121  122  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  106  128      3    3    6    7   11   18   61   72  118  122  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  106  128      3    7   34   77  109  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B      3  106  128      3    3    3   24   89  112  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     70  106  128     10   73  102  110  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     70  106  128     31   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     70  106  128     26   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     70  106  128     32   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     70  106  128     25   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     70  106  128     10   43  104  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     70  106  128     10   47  104  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     70  106  128     10   83  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     70  106  128     15   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     70  106  128     26   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     70  106  128     42   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     70  106  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     70  106  128      3    4    4   82  113  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     70  106  128     32   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     70  106  128     22   88  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     70  106  128     23   88  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     70  106  128     14   76  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     70  106  128     26   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     70  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     70  106  128     42   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     70  106  128     30   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     70  106  128     22   86  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     70  106  128     19   76  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     70  106  128     19   84  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     70  106  128     39   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     70  106  128     34   88  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     70  106  128     27   88  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     70  106  128     34   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     70  106  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     70  106  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     70  106  128     42   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     70  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     70  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     70  106  128     37   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     70  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     70  106  128     27   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     70  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     70  106  128     36   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     70  106  128     36   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     70  106  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     70  106  128     31   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     70  106  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     70  106  128     34   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     70  106  128      4   39   71  110  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     70  106  128     23   84  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B      8  106  128      4   15   28   66  106  115  116  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      4  106  128      3    7   18   36   72  106  116  119  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      5  106  128      3    4    5   20   32   53   76  104  120  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      5  106  128      3    4    9   25   42   70  116  119  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      5  106  128      3    4   15   25   44   70  110  119  121  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      5   98  128      3    4    6   12   16   37   55   73   97  119  123  126  126  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      5   98  128      3    6   16   34   69  106  116  119  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B      5   98  128      4   18   50  103  113  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     18   98  128      4   86  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     18   98  128     15   61  101  110  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     18   98  128     17   82  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     18   98  128      5   42  102  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     18   98  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     18   98  128     38   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     18   98  128     40   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     18   98  128     33   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     18   98  128      6   77  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     18   98  128     44   89  105  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     17   98  128      3   11   90  111  115  116  118  120  122  125  125  127  127  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  72.94  (  37.09   81.74  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     44     89    105    111    115    116    118    120    122    125    125    127    127    128    128    128    128    128    128    128 
GDT PERCENT_AT  34.38  69.53  82.03  86.72  89.84  90.62  92.19  93.75  95.31  97.66  97.66  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.58   0.74   0.85   0.95   0.99   1.11   1.21   1.43   1.75   1.75   1.86   1.86   2.01   2.01   2.01   2.01   2.01   2.01   2.01
GDT RMS_ALL_AT   2.22   2.15   2.11   2.13   2.12   2.11   2.10   2.11   2.04   2.02   2.02   2.02   2.02   2.01   2.01   2.01   2.01   2.01   2.01   2.01

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_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     0.926     0    0.474   0.610     9.846   82.143   44.974
LGA    V     2_B      V     2_B     0.432     0    0.068   0.132     0.768   92.857   94.558
LGA    Q     3_B      Q     3_B     0.551     0    0.029   0.838     2.527   90.476   86.825
LGA    L     4_B      L     4_B     0.522     0    0.032   1.079     2.372   90.476   86.429
LGA    V     5_B      V     5_B     0.596     0    0.112   0.159     0.982   90.476   90.476
LGA    E     6_B      E     6_B     0.555     0    0.045   0.794     2.109   95.238   86.772
LGA    S     7_B      S     7_B     0.278     0    0.038   0.048     0.360  100.000  100.000
LGA    G     8_B      G     8_B     0.362     0    0.054   0.054     0.563   97.619   97.619
LGA    G     9_B      G     9_B     0.607     0    0.133   0.133     0.639   92.857   92.857
LGA    G    10_B      G    10_B     1.011     0    0.035   0.035     1.114   88.333   88.333
LGA    S    11_B      S    11_B     0.260     0    0.132   0.149     1.083   90.595   92.143
LGA    V    12_B      V    12_B     0.370     0    0.093   0.182     0.644  100.000   98.639
LGA    Q    13_B      Q    13_B     0.865     0    0.060   1.113     4.105   90.476   73.280
LGA    A    14_B      A    14_B     0.684     0    0.051   0.066     0.945   95.238   94.286
LGA    G    15_B      G    15_B     0.546     0    0.095   0.095     0.732   92.857   92.857
LGA    G    16_B      G    16_B     0.727     0    0.049   0.049     0.727   90.476   90.476
LGA    S    17_B      S    17_B     0.666     0    0.080   0.698     1.541   90.476   87.540
LGA    L    18_B      L    18_B     0.520     0    0.063   1.130     3.641   92.857   84.643
LGA    R    19_B      R    19_B     0.481     0    0.065   1.171     3.417   97.619   83.853
LGA    L    20_B      L    20_B     0.316     0    0.008   0.199     0.846   97.619   96.429
LGA    S    21_B      S    21_B     0.661     0    0.031   0.708     2.540   92.857   86.508
LGA    C    22_B      C    22_B     0.824     0    0.023   0.036     1.161   85.952   85.952
LGA    A    23_B      A    23_B     1.159     0    0.134   0.162     1.235   83.690   83.238
LGA    A    24_B      A    24_B     0.535     0    0.039   0.043     0.953   90.476   90.476
LGA    S    25_B      S    25_B     0.903     0    0.013   0.717     1.973   85.952   83.016
LGA    G    26_B      G    26_B     2.065     0    0.033   0.033     2.867   67.024   67.024
LGA    Y    27_B      Y    27_B     2.551     0    0.597   0.717     4.894   50.833   59.563
LGA    T    28_B      T    28_B     4.182     0    0.478   1.083     8.140   35.000   28.231
LGA    Y    29_B      Y    29_B     5.895     0    0.596   1.287    13.119   27.619    9.762
LGA    S    30_B      S    30_B     3.818     0    0.633   0.821     4.947   38.810   43.889
LGA    M    31_B      M    31_B     3.748     0    0.645   1.068    11.197   53.810   30.238
LGA    Y    32_B      Y    32_B     2.242     0    0.580   1.326    12.686   64.881   27.738
LGA    C    33_B      C    33_B     0.921     0    0.049   0.239     2.578   90.595   83.492
LGA    M    34_B      M    34_B     0.386     0    0.050   0.967     4.291  100.000   80.655
LGA    G    35_B      G    35_B     0.296     0    0.047   0.047     0.667   95.238   95.238
LGA    W    36_B      W    36_B     0.742     0    0.046   0.132     0.855   90.476   90.476
LGA    F    37_B      F    37_B     0.585     0    0.038   0.230     0.633   90.476   95.671
LGA    R    38_B      R    38_B     0.807     0    0.049   0.503     1.192   92.857   89.697
LGA    Q    39_B      Q    39_B     0.473     0    0.122   0.208     1.091   95.238   92.646
LGA    A    40_B      A    40_B     1.181     0    0.053   0.066     1.181   83.690   83.238
LGA    P    41_B      P    41_B     1.655     0    0.010   0.073     2.143   81.548   75.510
LGA    G    42_B      G    42_B     1.834     0    0.253   0.253     1.834   72.857   72.857
LGA    K    43_B      K    43_B     1.460     0    0.068   0.623     1.662   79.286   78.571
LGA    E    44_B      E    44_B     1.049     0    0.032   0.735     4.591   85.952   66.720
LGA    R    45_B      R    45_B     0.117     0    0.027   0.625     1.554   97.619   91.515
LGA    E    46_B      E    46_B     0.674     0    0.093   0.586     2.053   90.476   82.698
LGA    G    47_B      G    47_B     0.978     0    0.062   0.062     1.193   88.214   88.214
LGA    V    48_B      V    48_B     0.372     0    0.045   0.056     0.619   97.619   98.639
LGA    A    49_B      A    49_B     0.729     0    0.047   0.064     1.066   95.238   92.476
LGA    G    50_B      G    50_B     0.460     0    0.067   0.067     0.460  100.000  100.000
LGA    I    51_B      I    51_B     0.295     0    0.056   0.061     0.544  100.000   98.810
LGA    C    52_B      C    52_B     0.458     0    0.024   0.131     3.374   80.714   72.937
LGA    A    53_B      A    53_B     3.681     0    0.482   0.453     5.488   48.095   43.714
LGA    N    54_B      N    54_B     1.005     0    0.154   0.720     2.845   81.429   78.393
LGA    G    55_B      G    55_B     1.220     0    0.026   0.026     1.465   81.429   81.429
LGA    K    56_B      K    56_B     1.300     0    0.033   0.500     3.136   79.286   70.582
LGA    A    57_B      A    57_B     1.778     0    0.191   0.241     2.146   79.286   76.381
LGA    I    58_B      I    58_B     0.851     0    0.027   0.117     1.161   88.214   87.083
LGA    H    59_B      H    59_B     0.687     0    0.010   0.193     2.030   95.238   84.476
LGA    Y    60_B      Y    60_B     0.551     0    0.012   0.169     0.869   90.476   95.238
LGA    V    61_B      V    61_B     0.981     0    0.051   0.909     3.014   88.214   77.347
LGA    D    62_B      D    62_B     1.171     0    0.061   0.116     1.532   81.429   80.357
LGA    S    63_B      S    63_B     1.609     0    0.014   0.065     1.875   75.000   74.286
LGA    V    64_B      V    64_B     1.268     0    0.071   0.241     1.593   85.952   82.789
LGA    K    65_B      K    65_B     0.644     0    0.023   0.166     1.127   88.214   89.471
LGA    G    66_B      G    66_B     1.180     0    0.013   0.013     1.511   81.548   81.548
LGA    R    67_B      R    67_B     1.059     0    0.015   1.255     3.663   85.952   74.286
LGA    F    68_B      F    68_B     0.848     0    0.060   0.553     2.328   90.476   84.978
LGA    T    69_B      T    69_B     0.444     0    0.057   0.114     0.638   97.619   95.918
LGA    I    70_B      I    70_B     0.501     0    0.067   0.891     2.121   97.619   87.619
LGA    S    71_B      S    71_B     0.403     0    0.042   0.085     0.438  100.000  100.000
LGA    Q    72_B      Q    72_B     0.244     0    0.044   0.752     1.903  100.000   89.788
LGA    D    73_B      D    73_B     0.472     0    0.091   0.186     1.124   95.238   91.726
LGA    N    74_B      N    74_B     0.832     0    0.009   1.039     2.709   88.214   82.976
LGA    A    75_B      A    75_B     1.052     0    0.090   0.097     1.103   81.429   81.429
LGA    K    76_B      K    76_B     0.998     0    0.184   0.255     1.436   85.952   86.455
LGA    N    77_B      N    77_B     0.864     0    0.019   0.255     2.484   90.476   81.726
LGA    T    78_B      T    78_B     0.375     0    0.103   0.107     0.737  100.000   95.918
LGA    V    79_B      V    79_B     0.245     0    0.009   0.136     0.518  100.000   98.639
LGA    Y    80_B      Y    80_B     0.165     0    0.044   0.127     1.233  100.000   93.690
LGA    L    81_B      L    81_B     0.529     0    0.078   0.106     0.663   92.857   92.857
LGA    Q    82_B      Q    82_B     0.906     0    0.096   0.843     2.564   90.476   82.804
LGA    M    83_B      M    83_B     0.752     0    0.131   0.897     1.957   90.476   82.738
LGA    N    84_B      N    84_B     0.516     0    0.139   0.239     2.104   90.595   82.917
LGA    S    85_B      S    85_B     0.446     0    0.262   0.682     2.868   97.619   88.175
LGA    L    86_B      L    86_B     0.692     0    0.064   0.241     1.129   90.476   89.345
LGA    K    87_B      K    87_B     0.669     0    0.006   0.936     5.268   90.476   75.926
LGA    P    88_B      P    88_B     0.784     0    0.021   0.030     0.880   90.476   90.476
LGA    E    89_B      E    89_B     0.865     0    0.040   0.926     2.535   90.476   81.799
LGA    D    90_B      D    90_B     0.623     0    0.029   0.141     0.755   90.476   91.667
LGA    T    91_B      T    91_B     0.490     0    0.018   0.081     0.570   95.238   95.918
LGA    A    92_B      A    92_B     0.471     0    0.019   0.035     0.624  100.000   98.095
LGA    M    93_B      M    93_B     0.568     0    0.075   0.273     1.134   88.214   88.214
LGA    Y    94_B      Y    94_B     0.478     0    0.051   0.135     0.594   97.619   98.413
LGA    Y    95_B      Y    95_B     0.307     0    0.042   0.114     0.654   97.619   99.206
LGA    C    96_B      C    96_B     0.498     0    0.086   0.662     2.343   97.619   90.952
LGA    A    97_B      A    97_B     0.265     0    0.026   0.035     0.721   97.619   96.190
LGA    A    98_B      A    98_B     0.516     0    0.090   0.100     0.607   92.857   92.381
LGA    D    99_B      D    99_B     0.969     0    0.128   0.851     2.760   85.952   78.631
LGA    S   100_B      S   100_B     2.597     0    0.022   0.036     3.544   62.976   57.540
LGA    R   101_B      R   101_B     1.599     0    0.040   0.125     5.548   63.571   54.848
LGA    G   102_B      G   102_B     5.107     0    0.445   0.445     6.825   26.071   26.071
LGA    G   103_B      G   103_B     6.269     0    0.258   0.258     6.269   22.857   22.857
LGA    I   104_B      I   104_B     7.601     0    0.644   0.807    10.775   10.119    5.298
LGA    W   105_B      W   105_B     6.743     0    0.187   0.814     9.351   12.500   11.429
LGA    Y   106_B      Y   106_B     7.739     0    0.408   0.564     8.161    7.262    9.643
LGA    E   107_B      E   107_B     9.731     0    0.212   0.559    14.327    2.381    1.058
LGA    Q   108_B      Q   108_B     5.978     0    0.327   0.933     9.372   25.000   18.254
LGA    Q   109_B      Q   109_B     3.259     0    0.049   1.187     5.262   56.190   51.005
LGA    L   110_B      L   110_B     1.290     0    0.088   0.116     2.084   75.000   75.060
LGA    S   111_B      S   111_B     2.176     0    0.208   0.482     2.814   70.833   70.317
LGA    T   112_B      T   112_B     1.331     0    0.013   1.238     2.557   86.190   75.986
LGA    L   113_B      L   113_B     0.379     0    0.109   0.177     1.546   90.595   86.071
LGA    R   114_B      R   114_B     1.773     0    0.093   1.231     8.197   77.143   47.662
LGA    Y   115_B      Y   115_B     0.784     0    0.047   0.167     0.940   90.476   90.476
LGA    N   116_B      N   116_B     0.776     0    0.058   0.212     0.963   90.476   90.476
LGA    Y   117_B      Y   117_B     0.598     0    0.047   0.339     3.888   92.857   73.333
LGA    W   118_B      W   118_B     0.271     0    0.041   0.138     0.848  100.000   95.238
LGA    G   119_B      G   119_B     0.617     0    0.010   0.010     0.792   92.857   92.857
LGA    Q   120_B      Q   120_B     1.372     0    0.057   1.071     8.564   85.952   52.804
LGA    G   121_B      G   121_B     0.089     0    0.071   0.071     0.421  100.000  100.000
LGA    T   122_B      T   122_B     0.442     0    0.075   1.042     3.127   97.619   87.483
LGA    Q   123_B      Q   123_B     0.367     0    0.052   0.853     2.881   97.619   86.402
LGA    V   124_B      V   124_B     0.443     0    0.065   0.121     0.760   97.619   95.918
LGA    T   125_B      T   125_B     0.323     0    0.022   0.403     1.371   97.619   94.626
LGA    V   126_B      V   126_B     0.361     0    0.049   0.052     0.640   95.238   97.279
LGA    S   127_B      S   127_B     0.611     0    0.114   0.644     2.051   88.214   86.270
LGA    S   128_B      S   128_B     2.396     0    0.598   0.526     3.061   66.786   62.381

# 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):     2.013          1.982                  2.845           83.200   78.533

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    120    1.21    87.500    88.266     9.160

LGA_LOCAL      RMSD:   1.210  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.109  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   2.013  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.208991 * X  +   0.414324 * Y  +   0.885809 * Z  +  28.766029
  Y_new =   0.958401 * X  +  -0.266842 * Y  +  -0.101306 * Z  +   0.540725
  Z_new =   0.194398 * X  +   0.870133 * Y  +  -0.452856 * Z  +   7.574598 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.356096 -0.195643  2.050666   [DEG:   77.6985  -11.2095  117.4945 ]
ZXZ:  1.456926  2.040763  0.219802   [DEG:   83.4757  116.9271   12.5937 ]
 
# END of job
