
#######################################################
#                                                     #
#                        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       1.50     1.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.50     1.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       1_B - 105_B       0.98     1.53
  LCS_AVERAGE:     68.87

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    105  128  128     64  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B    105  128  128     81  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B    105  128  128     23  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B    105  128  128     76  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B    105  128  128     57  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B    105  128  128     19  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B    105  128  128     20  100  113  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B    105  128  128     17  105  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B    105  128  128      8  101  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B    105  128  128      8  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B    105  128  128     64  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B    105  128  128     76  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B    105  128  128      5   85  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B    105  128  128      4   28  100  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B    105  128  128      9  105  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B    105  128  128     81  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B    105  128  128     69  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B    105  128  128     69  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B    105  128  128     21  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B    105  128  128     30  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B    105  128  128     30  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B    105  128  128     74  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B    105  128  128     54  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B    105  128  128     77  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B    105  128  128     67  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B    105  128  128     67  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B    105  128  128     67  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B    105  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B    105  128  128     16   45  111  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B    105  128  128      8   89  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B    105  128  128     11   93  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B    105  128  128      3    5   49  107  119  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B    105  128  128      3    5    5   44   61   78  121  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B    105  128  128      3   23   59  106  118  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      5  128  128      9   26   53   93  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3    5   22   41   99  119  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      4  128  128      1    3    4    4    8   12  115  117  122  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B      4  128  128      3    4    4   98  117  120  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B      4  128  128      8   86  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B      4  128  128      3   43  108  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B      4  128  128      3    3    4    5    8    9   21  106  121  123  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B      4  128  128      3    4    4    4    6  113  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     15  128  128      3   17   57  115  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     15  128  128     48  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     15  128  128     26  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     15  128  128     80  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     15  128  128     83  106  114  118  120  121  122  124  126  126  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  89.62  (  68.87  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     83    106    114    118    120    121    122    124    126    126    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  64.84  82.81  89.06  92.19  93.75  94.53  95.31  96.88  98.44  98.44 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.46   0.59   0.68   0.80   0.87   0.93   1.12   1.25   1.25   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50
GDT RMS_ALL_AT   1.57   1.54   1.53   1.54   1.53   1.54   1.52   1.50   1.51   1.51   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.850     0    0.062   0.374     1.430   88.214   88.519
LGA    V     2_B      V     2_B     0.354     0    0.057   0.083     0.785  100.000   97.279
LGA    Q     3_B      Q     3_B     0.078     0    0.037   1.179     4.256  100.000   84.021
LGA    L     4_B      L     4_B     0.238     0    0.013   0.073     0.280  100.000  100.000
LGA    V     5_B      V     5_B     0.424     0    0.020   0.100     0.932   97.619   94.558
LGA    E     6_B      E     6_B     0.059     0    0.074   0.120     0.288  100.000  100.000
LGA    S     7_B      S     7_B     0.209     0    0.017   0.055     0.285  100.000  100.000
LGA    G     8_B      G     8_B     0.229     0    0.016   0.016     0.322  100.000  100.000
LGA    G     9_B      G     9_B     0.236     0    0.065   0.065     0.491  100.000  100.000
LGA    G    10_B      G    10_B     0.656     0    0.021   0.021     0.656   95.238   95.238
LGA    S    11_B      S    11_B     0.546     0    0.144   0.753     1.946   88.452   86.190
LGA    V    12_B      V    12_B     0.482     0    0.095   0.166     0.882   95.238   93.197
LGA    Q    13_B      Q    13_B     0.622     0    0.016   0.866     2.026   92.857   85.714
LGA    A    14_B      A    14_B     0.513     0    0.056   0.095     0.701   97.619   96.190
LGA    G    15_B      G    15_B     0.163     0    0.105   0.105     0.464  100.000  100.000
LGA    G    16_B      G    16_B     0.153     0    0.022   0.022     0.243  100.000  100.000
LGA    S    17_B      S    17_B     0.195     0    0.011   0.121     0.469  100.000  100.000
LGA    L    18_B      L    18_B     0.134     0    0.016   0.092     0.427  100.000  100.000
LGA    R    19_B      R    19_B     0.095     0    0.022   0.715     2.746  100.000   93.550
LGA    L    20_B      L    20_B     0.120     0    0.007   0.053     0.284  100.000  100.000
LGA    S    21_B      S    21_B     0.478     0    0.022   0.711     2.290   95.238   89.365
LGA    C    22_B      C    22_B     0.848     0    0.050   0.080     1.240   88.214   87.460
LGA    A    23_B      A    23_B     0.937     0    0.049   0.072     1.043   90.476   88.667
LGA    A    24_B      A    24_B     0.434     0    0.040   0.040     0.629   97.619   96.190
LGA    S    25_B      S    25_B     0.156     0    0.049   0.112     0.615   97.619   98.413
LGA    G    26_B      G    26_B     0.286     0    0.107   0.107     0.663   97.619   97.619
LGA    Y    27_B      Y    27_B     0.905     0    0.603   1.031     8.865   78.095   54.048
LGA    T    28_B      T    28_B     1.456     0    0.036   0.608     2.826   81.429   75.578
LGA    Y    29_B      Y    29_B     1.209     0    0.115   1.203    11.308   83.690   44.048
LGA    S    30_B      S    30_B     1.275     0    0.027   0.697     1.639   81.429   80.000
LGA    M    31_B      M    31_B     0.886     0    0.121   0.667     3.328   88.214   81.071
LGA    Y    32_B      Y    32_B     0.584     0    0.087   0.096     1.536   95.238   86.071
LGA    C    33_B      C    33_B     0.315     0    0.054   0.103     0.996   95.238   93.651
LGA    M    34_B      M    34_B     0.743     0    0.034   0.903     3.926   92.857   85.774
LGA    G    35_B      G    35_B     0.893     0    0.059   0.059     0.899   90.476   90.476
LGA    W    36_B      W    36_B     0.369     0    0.017   0.058     0.755  100.000   95.238
LGA    F    37_B      F    37_B     0.318     0    0.038   0.107     0.432  100.000  100.000
LGA    R    38_B      R    38_B     0.284     0    0.006   0.116     1.156  100.000   95.714
LGA    Q    39_B      Q    39_B     0.487     0    0.098   0.155     1.629   95.238   89.630
LGA    A    40_B      A    40_B     1.308     0    0.053   0.063     1.429   83.690   83.238
LGA    P    41_B      P    41_B     1.999     0    0.036   0.082     2.600   77.143   70.748
LGA    G    42_B      G    42_B     1.504     0    0.297   0.297     1.759   75.000   75.000
LGA    K    43_B      K    43_B     1.009     0    0.036   0.948     3.792   81.429   77.249
LGA    E    44_B      E    44_B     0.931     0    0.020   0.765     4.089   85.952   70.688
LGA    R    45_B      R    45_B     0.646     0    0.048   0.419     1.291   90.476   90.519
LGA    E    46_B      E    46_B     0.493     0    0.083   0.560     1.939   97.619   86.772
LGA    G    47_B      G    47_B     0.547     0    0.053   0.053     1.191   88.214   88.214
LGA    V    48_B      V    48_B     0.461     0    0.026   0.034     0.521   97.619   98.639
LGA    A    49_B      A    49_B     0.469     0    0.018   0.022     0.504  100.000   98.095
LGA    G    50_B      G    50_B     0.524     0    0.016   0.016     0.591   90.476   90.476
LGA    I    51_B      I    51_B     0.518     0    0.030   0.072     0.807   92.857   91.667
LGA    C    52_B      C    52_B     0.515     0    0.076   0.125     0.763   92.857   93.651
LGA    A    53_B      A    53_B     0.661     0    0.075   0.081     0.922   92.857   92.381
LGA    N    54_B      N    54_B     1.003     0    0.020   0.240     1.586   83.690   81.488
LGA    G    55_B      G    55_B     0.893     0    0.038   0.038     0.916   90.476   90.476
LGA    K    56_B      K    56_B     0.951     0    0.016   0.512     1.872   90.476   85.556
LGA    A    57_B      A    57_B     0.404     0    0.082   0.103     0.691   97.619   98.095
LGA    I    58_B      I    58_B     0.190     0    0.019   0.066     0.376  100.000  100.000
LGA    H    59_B      H    59_B     0.248     0    0.038   1.245     6.690  100.000   67.333
LGA    Y    60_B      Y    60_B     0.316     0    0.049   0.098     0.486  100.000  100.000
LGA    V    61_B      V    61_B     0.205     0    0.035   1.190     2.858  100.000   88.844
LGA    D    62_B      D    62_B     0.330     0    0.011   0.203     0.669   97.619   97.619
LGA    S    63_B      S    63_B     0.488     0    0.055   0.059     0.590  100.000   98.413
LGA    V    64_B      V    64_B     0.283     0    0.038   0.140     0.462  100.000  100.000
LGA    K    65_B      K    65_B     0.395     0    0.029   0.168     0.841  100.000   98.942
LGA    G    66_B      G    66_B     0.590     0    0.024   0.024     0.632   90.476   90.476
LGA    R    67_B      R    67_B     0.361     0    0.012   0.082     0.431  100.000  100.000
LGA    F    68_B      F    68_B     0.331     0    0.017   0.070     0.418  100.000  100.000
LGA    T    69_B      T    69_B     0.274     0    0.032   0.050     0.313  100.000  100.000
LGA    I    70_B      I    70_B     0.274     0    0.027   0.099     0.588  100.000   97.619
LGA    S    71_B      S    71_B     0.176     0    0.057   0.102     0.370  100.000  100.000
LGA    Q    72_B      Q    72_B     0.626     0    0.067   0.227     0.950   90.476   91.534
LGA    D    73_B      D    73_B     0.710     0    0.091   0.195     1.638   90.476   83.810
LGA    N    74_B      N    74_B     0.607     0    0.042   1.087     2.600   90.476   84.107
LGA    A    75_B      A    75_B     0.744     0    0.058   0.055     0.744   90.476   90.476
LGA    K    76_B      K    76_B     0.789     0    0.088   0.220     0.973   90.476   90.476
LGA    N    77_B      N    77_B     0.734     0    0.031   0.363     1.254   90.476   88.214
LGA    T    78_B      T    78_B     0.558     0    0.078   0.105     0.642   95.238   93.197
LGA    V    79_B      V    79_B     0.481     0    0.043   0.948     2.584   95.238   85.918
LGA    Y    80_B      Y    80_B     0.282     0    0.058   0.069     1.066  100.000   95.278
LGA    L    81_B      L    81_B     0.362     0    0.025   0.057     0.464  100.000  100.000
LGA    Q    82_B      Q    82_B     0.231     0    0.056   0.102     0.444  100.000  100.000
LGA    M    83_B      M    83_B     0.266     0    0.069   0.667     2.437  100.000   95.595
LGA    N    84_B      N    84_B     0.199     0    0.029   0.154     0.806  100.000   97.619
LGA    S    85_B      S    85_B     0.319     0    0.047   0.086     0.566  100.000   96.825
LGA    L    86_B      L    86_B     0.139     0    0.048   0.069     0.318  100.000  100.000
LGA    K    87_B      K    87_B     0.164     0    0.011   0.134     0.907  100.000   98.942
LGA    P    88_B      P    88_B     0.502     0    0.008   0.039     0.648   92.857   93.197
LGA    E    89_B      E    89_B     0.589     0    0.061   0.328     1.093   97.619   92.646
LGA    D    90_B      D    90_B     0.290     0    0.015   0.043     0.430  100.000  100.000
LGA    T    91_B      T    91_B     0.361     0    0.073   0.108     0.617   97.619   97.279
LGA    A    92_B      A    92_B     0.192     0    0.023   0.038     0.319  100.000  100.000
LGA    M    93_B      M    93_B     0.139     0    0.023   1.057     2.360  100.000   91.012
LGA    Y    94_B      Y    94_B     0.086     0    0.029   0.069     0.318  100.000  100.000
LGA    Y    95_B      Y    95_B     0.182     0    0.012   0.095     0.395  100.000  100.000
LGA    C    96_B      C    96_B     0.450     0    0.043   0.682     2.434  100.000   92.540
LGA    A    97_B      A    97_B     0.439     0    0.026   0.032     0.739   95.238   94.286
LGA    A    98_B      A    98_B     0.494     0    0.077   0.096     0.540   95.238   96.190
LGA    D    99_B      D    99_B     0.768     0    0.023   0.749     1.968   85.952   83.750
LGA    S   100_B      S   100_B     2.339     0    0.059   0.068     3.089   64.881   61.111
LGA    R   101_B      R   101_B     1.754     0    0.018   0.580     6.376   72.857   49.957
LGA    G   102_B      G   102_B     1.713     0    0.391   0.391     2.407   68.810   68.810
LGA    G   103_B      G   103_B     4.031     0    0.085   0.085     4.031   48.571   48.571
LGA    I   104_B      I   104_B     5.280     0    0.083   0.637    10.867   36.071   20.238
LGA    W   105_B      W   105_B     3.636     0    0.062   0.749    10.233   34.286   16.735
LGA    Y   106_B      Y   106_B     3.489     0    0.091   0.415     5.837   51.786   37.540
LGA    E   107_B      E   107_B     5.118     0    0.611   0.464     8.218   30.238   19.418
LGA    Q   108_B      Q   108_B     6.019     0    0.124   0.226    13.677   23.333   11.217
LGA    Q   109_B      Q   109_B     3.588     0    0.583   1.484    12.469   50.238   26.085
LGA    L   110_B      L   110_B     1.411     0    0.183   0.231     3.328   71.429   75.357
LGA    S   111_B      S   111_B     1.965     0    0.698   0.643     4.281   56.548   58.175
LGA    T   112_B      T   112_B     7.275     0    0.046   0.116    11.429   15.476    8.912
LGA    L   113_B      L   113_B     4.735     0    0.626   0.543    10.487   46.786   25.893
LGA    R   114_B      R   114_B     3.079     0    0.496   1.496    12.270   55.476   23.896
LGA    Y   115_B      Y   115_B     1.048     0    0.144   0.252     1.451   81.429   81.429
LGA    N   116_B      N   116_B     1.038     0    0.041   0.298     1.245   85.952   85.952
LGA    Y   117_B      Y   117_B     0.521     0    0.044   0.091     1.782   95.238   87.579
LGA    W   118_B      W   118_B     0.270     0    0.026   0.085     0.821  100.000   95.238
LGA    G   119_B      G   119_B     0.241     0    0.026   0.026     0.241  100.000  100.000
LGA    Q   120_B      Q   120_B     0.271     0    0.043   1.040     2.601  100.000   90.106
LGA    G   121_B      G   121_B     0.114     0    0.013   0.013     0.150  100.000  100.000
LGA    T   122_B      T   122_B     0.165     0    0.016   0.117     0.384  100.000  100.000
LGA    Q   123_B      Q   123_B     0.310     0    0.046   0.199     0.650  100.000   97.884
LGA    V   124_B      V   124_B     0.333     0    0.048   0.061     0.400  100.000  100.000
LGA    T   125_B      T   125_B     0.418     0    0.039   0.438     1.215   97.619   94.626
LGA    V   126_B      V   126_B     0.449     0    0.020   0.030     0.621   95.238   97.279
LGA    S   127_B      S   127_B     0.782     0    0.072   0.606     2.720   92.857   86.508
LGA    S   128_B      S   128_B     0.935     0    0.053   0.621     2.940   90.476   84.921

# 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):     1.499          1.442                  2.500           89.562   85.406

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    124    1.12    92.969    95.957    10.155

LGA_LOCAL      RMSD:   1.121  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.503  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.499  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.239133 * X  +   0.969638 * Y  +   0.051162 * Z  +  33.719437
  Y_new =   0.321558 * X  +   0.128801 * Y  +  -0.938089 * Z  +  -9.456176
  Z_new =  -0.916197 * X  +  -0.207876 * Y  +  -0.342595 * Z  +  26.728872 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.210233  1.158484 -2.596212   [DEG:  126.6370   66.3762 -148.7520 ]
ZXZ:  0.054485  1.920474 -1.793909   [DEG:    3.1218  110.0351 -102.7834 ]
 
# END of job
