
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , 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:   126       7_B - 134_B       0.96     0.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       0.96     0.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       0.96     0.96
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_B     E     7_B    126  126  126     22  105  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B    126  126  126     48  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B    126  126  126     68  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B    126  126  126     59  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B    126  126  126     51  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B    126  126  126     74  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B    126  126  126     77  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B    126  126  126     77  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B    126  126  126     68  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B    126  126  126     68  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B    126  126  126     77  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B    126  126  126     65  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B    126  126  126     79  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B    126  126  126     78  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B    126  126  126     80  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B    126  126  126     35  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B    126  126  126     35  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B    126  126  126     35  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B    126  126  126     35  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B    126  126  126     77  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B    126  126  126      3  110  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B    126  126  126      3    3   19   61   85  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B    126  126  126      3   19   42   61  119  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B    126  126  126      5   23   37  107  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B    126  126  126      3    3    7   36   53   95  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B    126  126  126      5   32   86  120  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B    126  126  126      5   32   86  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B    126  126  126     72  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B    126  126  126     78  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B    126  126  126     35  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B    126  126  126     35  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B    126  126  126     21  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B    126  126  126     73  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B    126  126  126     26  113  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B    126  126  126     28  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B    126  126  126     22  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B    126  126  126     65  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B    126  126  126     30  107  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B    126  126  126     35  113  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B    126  126  126     83  114  119  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B    126  126  126     11   65  109  121  123  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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    114    119    121    123    124    126    126    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.87  90.48  94.44  96.03  97.62  98.41 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.48   0.54   0.63   0.74   0.80   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96
GDT RMS_ALL_AT   1.03   1.02   1.01   0.99   0.97   0.97   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.799     0    0.272   0.912     4.551   68.929   58.360
LGA    E     8_B      E     8_B     1.378     0    0.055   1.010     5.031   81.429   62.116
LGA    A     9_B      A     9_B     1.195     0    0.060   0.083     1.268   83.690   83.238
LGA    K    10_B      K    10_B     1.246     0    0.042   0.173     1.433   81.429   82.434
LGA    E    11_B      E    11_B     1.156     0    0.045   0.749     4.877   85.952   69.048
LGA    A    12_B      A    12_B     0.950     0    0.027   0.028     1.209   90.476   88.667
LGA    I    13_B      I    13_B     0.783     0    0.015   0.470     1.325   92.857   90.536
LGA    I    14_B      I    14_B     0.458     0    0.036   0.210     1.390   97.619   95.298
LGA    A    15_B      A    15_B     0.214     0    0.051   0.075     0.381  100.000  100.000
LGA    M    16_B      M    16_B     0.468     0    0.020   0.951     4.827  100.000   81.429
LGA    L    17_B      L    17_B     0.126     0    0.012   0.058     0.573  100.000   97.619
LGA    K    18_B      K    18_B     0.239     0    0.066   0.344     1.481  100.000   97.937
LGA    E    19_B      E    19_B     0.517     0    0.042   0.292     0.979   92.857   92.593
LGA    W    20_B      W    20_B     0.405     0    0.025   0.242     1.190   97.619   95.272
LGA    Y    21_B      Y    21_B     0.394     0    0.030   0.160     0.625  100.000   98.413
LGA    D    22_B      D    22_B     0.592     0    0.061   0.083     0.800   92.857   91.667
LGA    A    23_B      A    23_B     0.634     0    0.026   0.030     0.722   90.476   90.476
LGA    M    24_B      M    24_B     0.385     0    0.037   0.850     2.568   97.619   84.643
LGA    N    25_B      N    25_B     0.456     0    0.038   0.069     0.740  100.000   96.429
LGA    E    26_B      E    26_B     0.529     0    0.014   0.119     0.904   92.857   93.651
LGA    G    27_B      G    27_B     0.807     0    0.041   0.041     0.986   90.476   90.476
LGA    D    28_B      D    28_B     0.887     0    0.056   0.122     1.661   90.476   86.012
LGA    M    29_B      M    29_B     0.642     0    0.034   0.605     1.486   90.476   89.345
LGA    E    30_B      E    30_B     0.694     0    0.062   0.998     3.908   90.476   76.878
LGA    K    31_B      K    31_B     0.702     0    0.079   1.016     5.622   90.476   68.889
LGA    L    32_B      L    32_B     0.408     0    0.036   0.112     0.570   95.238   97.619
LGA    R    33_B      R    33_B     0.576     0    0.060   0.950     5.157   90.476   71.818
LGA    S    34_B      S    34_B     0.538     0    0.113   0.133     0.977   90.476   90.476
LGA    L    35_B      L    35_B     0.194     0    0.107   0.112     0.379  100.000  100.000
LGA    V    36_B      V    36_B     0.372     0    0.022   0.059     0.452  100.000  100.000
LGA    D    37_B      D    37_B     0.440     0    0.016   0.076     0.827  100.000   96.429
LGA    P    38_B      P    38_B     0.257     0    0.055   0.072     0.442  100.000  100.000
LGA    D    39_B      D    39_B     0.272     0    0.018   0.651     1.715  100.000   94.286
LGA    A    40_B      A    40_B     0.169     0    0.041   0.044     0.235  100.000  100.000
LGA    S    41_B      S    41_B     0.108     0    0.100   0.093     0.403  100.000  100.000
LGA    F    42_B      F    42_B     0.531     0    0.056   0.105     0.688   92.857   93.939
LGA    V    43_B      V    43_B     0.646     0    0.048   0.070     0.800   90.476   90.476
LGA    D    44_B      D    44_B     0.586     0    0.055   0.176     1.087   90.476   89.345
LGA    A    45_B      A    45_B     0.541     0    0.104   0.101     0.976   90.476   92.381
LGA    R    46_B      R    46_B     0.700     0    0.029   1.667     9.378   90.476   58.355
LGA    T    47_B      T    47_B     0.670     0    0.027   0.053     0.886   90.476   90.476
LGA    N    48_B      N    48_B     0.286     0    0.029   1.057     3.077  100.000   89.048
LGA    Q    49_B      Q    49_B     0.581     0    0.059   0.155     1.124   95.238   90.582
LGA    V    50_B      V    50_B     0.467     0    0.010   0.046     0.830   97.619   94.558
LGA    Y    51_B      Y    51_B     0.369     0    0.027   0.122     1.075  100.000   93.690
LGA    D    52_B      D    52_B     0.400     0    0.042   0.214     1.072  100.000   95.298
LGA    K    53_B      K    53_B     0.274     0    0.033   0.104     0.500  100.000   98.942
LGA    D    54_B      D    54_B     0.340     0    0.056   0.257     0.707  100.000   98.810
LGA    Q    55_B      Q    55_B     0.454     0    0.045   0.072     0.819  100.000   95.767
LGA    F    56_B      F    56_B     0.334     0    0.023   0.073     0.855  100.000   94.805
LGA    L    57_B      L    57_B     0.474     0    0.014   0.073     0.636   95.238   96.429
LGA    Q    58_B      Q    58_B     0.584     0    0.035   1.639     6.547   92.857   67.037
LGA    M    59_B      M    59_B     0.564     0    0.035   0.695     2.614   90.476   86.310
LGA    I    60_B      I    60_B     0.662     0    0.045   0.114     1.042   90.476   89.345
LGA    K    61_B      K    61_B     0.685     0    0.018   0.316     2.061   90.476   84.656
LGA    E    62_B      E    62_B     0.394     0    0.059   0.230     0.842   97.619   97.884
LGA    A    63_B      A    63_B     0.395     0    0.033   0.054     0.429  100.000  100.000
LGA    L    64_B      L    64_B     0.463     0    0.024   0.056     0.492  100.000  100.000
LGA    E    65_B      E    65_B     0.401     0    0.049   0.163     0.939  100.000   95.767
LGA    Q    66_B      Q    66_B     0.374     0    0.039   0.945     2.112   97.619   91.111
LGA    D    67_B      D    67_B     0.531     0    0.068   0.154     1.173   97.619   92.917
LGA    L    68_B      L    68_B     0.430     0    0.032   0.043     0.488  100.000  100.000
LGA    K    69_B      K    69_B     0.376     0    0.069   0.873     3.949   97.619   83.598
LGA    V    70_B      V    70_B     0.314     0    0.079   0.091     0.589   97.619   97.279
LGA    E    71_B      E    71_B     0.129     0    0.041   0.598     1.912  100.000   95.926
LGA    V    72_B      V    72_B     0.133     0    0.030   0.077     0.251  100.000  100.000
LGA    K    73_B      K    73_B     0.381     0    0.049   0.479     1.525  100.000   92.804
LGA    S    74_B      S    74_B     0.455     0    0.048   0.066     0.609   97.619   96.825
LGA    I    75_B      I    75_B     0.512     0    0.069   0.166     1.102   90.595   94.107
LGA    D    76_B      D    76_B     0.877     0    0.067   0.630     2.447   90.476   82.798
LGA    I    77_B      I    77_B     0.519     0    0.096   0.148     2.160   92.857   86.190
LGA    E    78_B      E    78_B     1.172     0    0.067   0.430     3.771   81.786   71.852
LGA    Q    79_B      Q    79_B     4.063     0    0.057   0.901    12.076   43.690   21.640
LGA    Q    80_B      Q    80_B     3.339     0    0.052   1.261     3.954   48.333   50.159
LGA    P    81_B      P    81_B     2.968     0    0.200   0.344     3.551   51.905   52.109
LGA    D    82_B      D    82_B     4.263     0    0.577   1.218     5.462   37.500   43.274
LGA    G    83_B      G    83_B     2.488     0    0.144   0.144     2.563   62.857   62.857
LGA    D    84_B      D    84_B     2.066     0    0.139   0.274     3.459   73.095   64.286
LGA    V    85_B      V    85_B     0.421     0    0.064   0.123     0.896   97.619   94.558
LGA    V    86_B      V    86_B     0.497     0    0.028   0.159     0.917  100.000   95.918
LGA    I    87_B      I    87_B     0.495     0    0.050   0.194     0.969  100.000   95.238
LGA    V    88_B      V    88_B     0.531     0    0.030   0.082     0.845   92.857   91.837
LGA    K    89_B      K    89_B     0.573     0    0.026   0.578     2.384   95.238   87.725
LGA    V    90_B      V    90_B     0.415     0    0.020   0.053     0.430  100.000  100.000
LGA    K    91_B      K    91_B     0.316     0    0.052   0.215     0.672  100.000   97.884
LGA    V    92_B      V    92_B     0.414     0    0.056   0.063     0.414  100.000  100.000
LGA    R    93_B      R    93_B     0.204     0    0.097   0.257     1.236  100.000   95.714
LGA    A    94_B      A    94_B     0.289     0    0.062   0.069     0.418  100.000  100.000
LGA    T    95_B      T    95_B     0.688     0    0.068   1.057     2.525   92.857   84.558
LGA    M    96_B      M    96_B     0.797     0    0.088   0.376     1.277   92.857   89.405
LGA    V    97_B      V    97_B     1.162     0    0.059   0.105     1.257   83.690   82.721
LGA    R    98_B      R    98_B     1.009     0    0.101   1.242     7.017   83.690   60.823
LGA    Q   101_B      Q   101_B     0.549     0    0.196   0.767     2.769   90.595   85.820
LGA    E   102_B      E   102_B     0.776     0    0.075   0.573     1.757   90.476   85.556
LGA    H   103_B      H   103_B     0.488     0    0.104   0.186     1.312   97.619   90.619
LGA    V   104_B      V   104_B     0.481     0    0.037   0.077     1.012   97.619   93.265
LGA    F   105_B      F   105_B     0.155     0    0.066   0.094     0.698  100.000   97.403
LGA    E   106_B      E   106_B     0.161     0    0.068   1.018     3.301  100.000   86.667
LGA    V   107_B      V   107_B     0.374     0    0.044   0.052     0.410  100.000  100.000
LGA    V   108_B      V   108_B     0.485     0    0.066   0.073     0.773   95.238   93.197
LGA    D   109_B      D   109_B     0.646     0    0.059   0.082     1.047   88.214   90.536
LGA    T   110_B      T   110_B     0.689     0    0.051   0.056     0.871   90.476   90.476
LGA    Y   111_B      Y   111_B     0.490     0    0.028   0.090     0.930   95.238   92.063
LGA    E   112_B      E   112_B     0.398     0    0.039   0.306     1.338   97.619   95.820
LGA    F   113_B      F   113_B     0.411     0    0.052   0.196     1.417  100.000   90.649
LGA    R   114_B      R   114_B     0.444     0    0.057   0.438     2.025   95.238   88.312
LGA    R   115_B      R   115_B     0.930     0    0.032   1.183     3.090   88.214   75.887
LGA    K   116_B      K   116_B     0.695     0    0.066   0.670     1.389   90.476   87.460
LGA    G   117_B      G   117_B     0.914     0    0.030   0.030     0.914   90.476   90.476
LGA    D   118_B      D   118_B     0.629     0    0.102   0.569     1.759   88.214   86.012
LGA    S   119_B      S   119_B     1.081     0    0.116   0.162     1.853   90.595   84.683
LGA    W   120_B      W   120_B     0.869     0    0.035   0.180     1.319   90.476   84.014
LGA    K   121_B      K   121_B     0.421     0    0.040   0.168     0.871  100.000   94.709
LGA    I   122_B      I   122_B     0.504     0    0.047   0.107     0.551   95.238   94.048
LGA    V   123_B      V   123_B     0.207     0    0.048   0.073     0.331  100.000  100.000
LGA    K   124_B      K   124_B     0.309     0    0.033   0.135     0.620  100.000   97.884
LGA    L   125_B      L   125_B     0.491     0    0.119   0.165     0.581   97.619   97.619
LGA    V   126_B      V   126_B     0.484     0    0.023   0.088     0.592  100.000   98.639
LGA    S   127_B      S   127_B     0.496     0    0.041   0.110     0.576   95.238   96.825
LGA    E   128_B      E   128_B     0.535     0    0.118   0.772     3.428   95.238   82.381
LGA    I   129_B      I   129_B     0.408     0    0.059   0.124     0.875   97.619   96.429
LGA    T   130_B      T   130_B     0.477     0    0.056   0.055     0.660   95.238   95.918
LGA    Q   131_B      Q   131_B     0.576     0    0.017   1.051     2.928   92.857   84.974
LGA    L   132_B      L   132_B     0.740     0    0.080   0.079     1.185   88.214   89.345
LGA    G   133_B      G   133_B     0.355     0    0.192   0.192     0.678   95.238   95.238
LGA    S   134_B      S   134_B     2.648     0    0.654   0.854     6.587   59.524   45.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     0.960          0.959                  1.561           92.534   88.178

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    126    0.96    96.627    98.301    11.888

LGA_LOCAL      RMSD:   0.960  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.960  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   0.960  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.663292 * X  +  -0.123763 * Y  +  -0.738056 * Z  +  12.451974
  Y_new =   0.291533 * X  +   0.951051 * Y  +   0.102521 * Z  +  12.077902
  Z_new =   0.689240 * X  +  -0.283168 * Y  +   0.666906 * Z  +  27.387281 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.414108 -0.760440 -0.401532   [DEG:   23.7266  -43.5700  -23.0061 ]
ZXZ: -1.708820  0.840748  1.960614   [DEG:  -97.9082   48.1713  112.3349 ]
 
# END of job
