
#######################################################
#                                                     #
#                        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       0.93     0.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       0.93     0.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       0.93     0.93
  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     33  111  119  120  123  125  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     33  114  119  120  123  125  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     56  114  119  120  123  125  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     35  114  119  120  123  125  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     33  114  119  120  123  125  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     33  114  119  120  123  125  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     76  114  119  120  123  125  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  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     66  114  119  120  123  125  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     63  114  119  120  123  125  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     63  114  119  120  123  125  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     63  114  119  120  123  125  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     63  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     68  114  119  120  123  125  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     79  114  119  120  123  125  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     52  114  119  120  123  125  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     51  114  119  120  123  125  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     65  114  119  120  123  125  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     68  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     23  114  119  120  123  125  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     23  114  119  120  123  125  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     23  114  119  120  123  125  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     23  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     78  114  119  120  123  125  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     79  114  119  120  123  125  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     33  114  119  120  123  125  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    7   33  117  125  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    5   25   48   64  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      3    3    7  112  123  125  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      4    6    7   34  123  125  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      3    6   51  112  123  125  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      7   24   79  120  123  125  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     50  113  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     70  114  119  120  123  125  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     79  114  119  120  123  125  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     19  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     64  114  119  120  123  125  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     22  113  119  120  123  125  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     41  114  119  120  123  125  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     41  114  119  120  123  125  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     37  114  119  120  123  125  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     31  106  119  120  123  125  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     21  113  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     79  114  119  120  123  125  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     52  114  119  120  123  125  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      3    5   90  120  123  125  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     79    114    119    120    123    125    126    126    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  62.70  90.48  94.44  95.24  97.62  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.50   0.55   0.61   0.77   0.86   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93
GDT RMS_ALL_AT   1.00   0.98   0.96   0.96   0.94   0.94   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93

# 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    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:  F   105_B      F   105_B
#   possible swapping detected:  E   106_B      E   106_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.536     0    0.275   0.944     4.463   75.119   63.175
LGA    E     8_B      E     8_B     1.190     0    0.042   1.000     5.511   83.690   63.439
LGA    A     9_B      A     9_B     1.106     0    0.056   0.077     1.191   83.690   83.238
LGA    K    10_B      K    10_B     1.118     0    0.041   0.166     1.216   81.429   81.429
LGA    E    11_B      E    11_B     1.045     0    0.044   0.764     4.837   85.952   69.841
LGA    A    12_B      A    12_B     0.976     0    0.028   0.029     1.248   90.476   88.667
LGA    I    13_B      I    13_B     0.785     0    0.017   0.471     1.311   92.857   90.536
LGA    I    14_B      I    14_B     0.465     0    0.037   0.203     1.276   97.619   95.298
LGA    A    15_B      A    15_B     0.373     0    0.052   0.075     0.544  100.000   98.095
LGA    M    16_B      M    16_B     0.567     0    0.018   0.966     4.702   95.238   81.071
LGA    L    17_B      L    17_B     0.207     0    0.011   0.062     0.552  100.000   97.619
LGA    K    18_B      K    18_B     0.336     0    0.060   0.352     1.615   97.619   95.926
LGA    E    19_B      E    19_B     0.658     0    0.043   0.307     1.095   90.476   88.466
LGA    W    20_B      W    20_B     0.532     0    0.022   0.242     1.031   90.476   93.231
LGA    Y    21_B      Y    21_B     0.511     0    0.036   0.153     0.616   95.238   96.032
LGA    D    22_B      D    22_B     0.706     0    0.060   0.074     0.959   90.476   90.476
LGA    A    23_B      A    23_B     0.732     0    0.025   0.030     0.789   90.476   90.476
LGA    M    24_B      M    24_B     0.465     0    0.039   0.900     2.877   92.857   83.274
LGA    N    25_B      N    25_B     0.584     0    0.044   0.085     0.872   90.476   90.476
LGA    E    26_B      E    26_B     0.671     0    0.011   0.118     0.872   90.476   91.534
LGA    G    27_B      G    27_B     0.837     0    0.040   0.040     0.994   90.476   90.476
LGA    D    28_B      D    28_B     0.929     0    0.051   0.123     1.730   90.476   84.881
LGA    M    29_B      M    29_B     0.700     0    0.034   0.612     1.381   90.476   88.214
LGA    E    30_B      E    30_B     0.786     0    0.060   0.981     3.773   90.476   76.878
LGA    K    31_B      K    31_B     0.791     0    0.077   1.036     5.854   90.476   68.889
LGA    L    32_B      L    32_B     0.438     0    0.041   0.124     0.579   92.857   96.429
LGA    R    33_B      R    33_B     0.656     0    0.055   1.111     5.839   90.476   75.195
LGA    S    34_B      S    34_B     0.663     0    0.106   0.124     1.081   88.214   88.968
LGA    L    35_B      L    35_B     0.303     0    0.103   0.113     0.405  100.000  100.000
LGA    V    36_B      V    36_B     0.465     0    0.020   0.072     0.547  100.000   97.279
LGA    D    37_B      D    37_B     0.466     0    0.013   0.103     0.831  100.000   96.429
LGA    P    38_B      P    38_B     0.298     0    0.056   0.074     0.429  100.000  100.000
LGA    D    39_B      D    39_B     0.321     0    0.017   0.642     1.595  100.000   93.214
LGA    A    40_B      A    40_B     0.235     0    0.030   0.029     0.289  100.000  100.000
LGA    S    41_B      S    41_B     0.305     0    0.102   0.097     0.371  100.000  100.000
LGA    F    42_B      F    42_B     0.448     0    0.076   1.286     7.855   97.619   58.442
LGA    V    43_B      V    43_B     0.569     0    0.053   0.071     0.738   90.476   90.476
LGA    D    44_B      D    44_B     0.642     0    0.051   0.182     1.242   90.476   87.083
LGA    A    45_B      A    45_B     0.551     0    0.102   0.098     1.136   88.214   90.571
LGA    R    46_B      R    46_B     0.643     0    0.031   1.700     8.879   90.476   60.649
LGA    T    47_B      T    47_B     0.820     0    0.038   0.056     1.013   88.214   87.891
LGA    N    48_B      N    48_B     0.527     0    0.031   1.101     3.472   92.857   84.345
LGA    Q    49_B      Q    49_B     0.595     0    0.068   0.170     1.196   95.238   89.577
LGA    V    50_B      V    50_B     0.460     0    0.010   0.029     0.757   95.238   93.197
LGA    Y    51_B      Y    51_B     0.516     0    0.031   0.174     1.110   95.238   90.556
LGA    D    52_B      D    52_B     0.537     0    0.044   0.198     1.184   95.238   92.917
LGA    K    53_B      K    53_B     0.408     0    0.028   0.098     0.588  100.000   96.825
LGA    D    54_B      D    54_B     0.462     0    0.048   0.252     0.721   95.238   95.238
LGA    Q    55_B      Q    55_B     0.610     0    0.049   0.079     0.940   90.476   90.476
LGA    F    56_B      F    56_B     0.463     0    0.021   0.168     1.002   92.857   93.117
LGA    L    57_B      L    57_B     0.515     0    0.014   0.076     0.690   92.857   95.238
LGA    Q    58_B      Q    58_B     0.691     0    0.034   1.638     6.642   90.476   66.561
LGA    M    59_B      M    59_B     0.746     0    0.042   0.155     0.928   90.476   90.476
LGA    I    60_B      I    60_B     0.769     0    0.037   0.166     1.169   90.476   89.345
LGA    K    61_B      K    61_B     0.733     0    0.018   0.316     2.042   90.476   86.614
LGA    E    62_B      E    62_B     0.485     0    0.055   0.227     0.761   97.619   96.825
LGA    A    63_B      A    63_B     0.546     0    0.032   0.054     0.549   90.476   92.381
LGA    L    64_B      L    64_B     0.522     0    0.026   0.058     0.574   95.238   97.619
LGA    E    65_B      E    65_B     0.386     0    0.047   0.148     0.832  100.000   95.767
LGA    Q    66_B      Q    66_B     0.445     0    0.034   1.029     2.241   95.238   90.053
LGA    D    67_B      D    67_B     0.573     0    0.067   0.141     0.975   92.857   91.667
LGA    L    68_B      L    68_B     0.559     0    0.039   0.053     0.595   90.476   94.048
LGA    K    69_B      K    69_B     0.463     0    0.077   0.883     4.211   97.619   82.910
LGA    V    70_B      V    70_B     0.439     0    0.077   0.088     0.726   97.619   97.279
LGA    E    71_B      E    71_B     0.258     0    0.040   0.580     1.669  100.000   95.926
LGA    V    72_B      V    72_B     0.202     0    0.023   0.065     0.258  100.000  100.000
LGA    K    73_B      K    73_B     0.184     0    0.051   0.504     1.619  100.000   94.921
LGA    S    74_B      S    74_B     0.180     0    0.024   0.054     0.362  100.000  100.000
LGA    I    75_B      I    75_B     0.142     0    0.040   0.131     0.528   97.619   98.810
LGA    D    76_B      D    76_B     0.646     0    0.035   1.062     4.906   92.857   76.905
LGA    I    77_B      I    77_B     0.741     0    0.098   0.126     1.063   90.476   89.345
LGA    E    78_B      E    78_B     1.188     0    0.583   0.666     2.612   77.619   76.931
LGA    Q    79_B      Q    79_B     3.066     0    0.085   0.843     9.311   46.071   27.778
LGA    Q    80_B      Q    80_B     4.055     0    0.289   1.399     8.060   56.071   33.598
LGA    P    81_B      P    81_B     2.630     0    0.222   0.196     5.888   67.619   49.932
LGA    D    82_B      D    82_B     3.193     0    0.274   0.881     4.265   53.571   51.071
LGA    G    83_B      G    83_B     3.083     0    0.135   0.135     3.164   53.571   53.571
LGA    D    84_B      D    84_B     2.564     0    0.146   0.303     3.918   65.000   56.726
LGA    V    85_B      V    85_B     0.759     0    0.062   0.111     1.345   92.976   90.612
LGA    V    86_B      V    86_B     0.272     0    0.035   0.194     0.984  100.000   95.918
LGA    I    87_B      I    87_B     0.348     0    0.038   0.615     1.699  100.000   91.905
LGA    V    88_B      V    88_B     0.378     0    0.033   0.079     0.539  100.000   98.639
LGA    K    89_B      K    89_B     0.370     0    0.055   0.789     3.257   97.619   90.265
LGA    V    90_B      V    90_B     0.217     0    0.018   0.043     0.237  100.000  100.000
LGA    K    91_B      K    91_B     0.095     0    0.050   0.209     0.787  100.000   97.884
LGA    V    92_B      V    92_B     0.374     0    0.050   0.059     0.374  100.000  100.000
LGA    R    93_B      R    93_B     0.316     0    0.103   0.208     0.923  100.000   97.403
LGA    A    94_B      A    94_B     0.459     0    0.035   0.041     0.582   97.619   98.095
LGA    T    95_B      T    95_B     0.527     0    0.054   1.003     2.420   92.857   85.646
LGA    M    96_B      M    96_B     0.903     0    0.055   0.702     1.511   92.857   87.202
LGA    V    97_B      V    97_B     0.676     0    0.043   0.103     0.913   92.857   93.197
LGA    R    98_B      R    98_B     0.768     0    0.120   1.232     7.464   90.476   62.468
LGA    Q   101_B      Q   101_B     0.111     0    0.193   1.120     5.076   95.238   78.042
LGA    E   102_B      E   102_B     0.376     0    0.064   0.437     1.360  100.000   93.757
LGA    H   103_B      H   103_B     0.397     0    0.103   0.199     0.946  100.000   95.238
LGA    V   104_B      V   104_B     0.449     0    0.027   0.089     0.958   97.619   94.558
LGA    F   105_B      F   105_B     0.133     0    0.073   0.074     0.464  100.000  100.000
LGA    E   106_B      E   106_B     0.155     0    0.077   1.089     4.962  100.000   76.085
LGA    V   107_B      V   107_B     0.211     0    0.041   0.055     0.245  100.000  100.000
LGA    V   108_B      V   108_B     0.280     0    0.053   0.072     0.507  100.000   98.639
LGA    D   109_B      D   109_B     0.473     0    0.059   0.081     0.879   95.238   97.619
LGA    T   110_B      T   110_B     0.477     0    0.036   0.058     0.686  100.000   95.918
LGA    Y   111_B      Y   111_B     0.265     0    0.041   0.079     0.769  100.000   97.619
LGA    E   112_B      E   112_B     0.236     0    0.036   0.283     1.232  100.000   97.937
LGA    F   113_B      F   113_B     0.295     0    0.046   0.208     1.324  100.000   91.515
LGA    R   114_B      R   114_B     0.506     0    0.064   0.505     2.390   92.857   86.537
LGA    R   115_B      R   115_B     0.983     0    0.032   1.200     3.378   90.476   76.667
LGA    K   116_B      K   116_B     0.695     0    0.078   0.637     1.207   90.476   88.466
LGA    G   117_B      G   117_B     0.899     0    0.031   0.031     0.899   90.476   90.476
LGA    D   118_B      D   118_B     0.678     0    0.106   0.562     1.713   88.214   83.810
LGA    S   119_B      S   119_B     1.168     0    0.105   0.148     1.851   88.214   83.095
LGA    W   120_B      W   120_B     0.952     0    0.033   0.165     1.321   88.214   83.367
LGA    K   121_B      K   121_B     0.400     0    0.037   0.180     0.900   97.619   94.709
LGA    I   122_B      I   122_B     0.467     0    0.044   0.107     0.538   97.619   97.619
LGA    V   123_B      V   123_B     0.161     0    0.056   0.081     0.328  100.000  100.000
LGA    K   124_B      K   124_B     0.244     0    0.034   0.169     0.829  100.000   97.884
LGA    L   125_B      L   125_B     0.342     0    0.113   0.164     0.357  100.000  100.000
LGA    V   126_B      V   126_B     0.312     0    0.026   0.088     0.413  100.000  100.000
LGA    S   127_B      S   127_B     0.425     0    0.045   0.119     0.559   97.619   98.413
LGA    E   128_B      E   128_B     0.415     0    0.111   0.892     3.588  100.000   82.011
LGA    I   129_B      I   129_B     0.286     0    0.056   0.122     0.568  100.000   98.810
LGA    T   130_B      T   130_B     0.500     0    0.054   0.063     0.601   95.238   95.918
LGA    Q   131_B      Q   131_B     0.434     0    0.016   1.043     2.653   95.238   89.048
LGA    L   132_B      L   132_B     0.735     0    0.497   0.441     2.861   79.881   87.560
LGA    G   133_B      G   133_B     0.780     0    0.128   0.128     1.350   85.952   85.952
LGA    S   134_B      S   134_B     2.844     0    0.679   0.618     7.329   57.500   43.571

# 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):     0.934          0.919                  1.631           92.300   87.563

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    126    0.93    96.429    98.294    12.183

LGA_LOCAL      RMSD:   0.934  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.934  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   0.934  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.810510 * X  +  -0.080136 * Y  +  -0.580217 * Z  +  12.912119
  Y_new =  -0.188570 * X  +   0.902156 * Y  +  -0.388015 * Z  +  10.575911
  Z_new =   0.554540 * X  +   0.423902 * Y  +   0.716095 * Z  +  29.696569 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.228589 -0.587811  0.534489   [DEG:  -13.0972  -33.6791   30.6239 ]
ZXZ: -0.981359  0.772604  0.918130   [DEG:  -56.2277   44.2670   52.6050 ]
 
# END of job
