
#######################################################
#                                                     #
#                        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       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122       7_B - 130_B       0.94     1.08
  LCS_AVERAGE:     93.93

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    122  126  126     24  108  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B    122  126  126     29  108  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B    122  126  126     59  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B    122  126  126     56  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B    122  126  126     33  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B    122  126  126     63  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B    122  126  126     62  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B    122  126  126     59  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    122  126  126     62  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B    122  126  126     69  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B    122  126  126     69  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B    122  126  126     69  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B    122  126  126     62  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B    122  126  126     62  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B    122  126  126     60  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B    122  126  126     59  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B    122  126  126     59  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B    122  126  126     62  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B    122  126  126     61  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B    122  126  126     61  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B    122  126  126     68  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B    122  126  126     38  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B    122  126  126     32  108  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B    122  126  126      3    3   32   74  111  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B    122  126  126      9   23   64  109  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B    122  126  126      3   39  110  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B    122  126  126      3    3   15   43  118  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B    122  126  126      3   36   97  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B    122  126  126      3   16   97  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B    122  126  126     65  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B    122  126  126     53  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B    122  126  126     53  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B    122  126  126     35  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B    122  126  126     62  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B    122  126  126     66  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B    122  126  126     32  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B    122  126  126     57  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B    122  126  126     24  103  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B    122  126  126     41  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B    122  126  126     70  110  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B    122  126  126      4   97  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B    122  126  126      3    6   24   68  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     13  126  126      3    7   21   41   76  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5  126  126      3  102  116  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5  126  126      3    5    5  104  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5  126  126     14   58  112  120  122  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  97.98  (  93.93  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     70    110    116    120    122    124    126    126    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  55.56  87.30  92.06  95.24  96.83  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    0.31   0.50   0.58   0.73   0.84   0.94   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08
GDT RMS_ALL_AT   1.15   1.15   1.14   1.11   1.09   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08

# 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:  E    78_B      E    78_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
#   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     1.911     0    0.274   0.954     4.554   68.929   57.460
LGA    E     8_B      E     8_B     1.578     0    0.051   1.005     5.185   77.143   59.259
LGA    A     9_B      A     9_B     1.341     0    0.061   0.083     1.424   81.429   81.429
LGA    K    10_B      K    10_B     1.345     0    0.043   0.186     1.571   81.429   80.476
LGA    E    11_B      E    11_B     1.267     0    0.045   0.759     5.042   83.690   65.873
LGA    A    12_B      A    12_B     1.029     0    0.028   0.029     1.301   85.952   85.048
LGA    I    13_B      I    13_B     0.826     0    0.016   0.470     1.343   90.476   87.083
LGA    I    14_B      I    14_B     0.555     0    0.037   0.208     1.542   95.238   90.655
LGA    A    15_B      A    15_B     0.197     0    0.054   0.079     0.383  100.000  100.000
LGA    M    16_B      M    16_B     0.429     0    0.017   0.953     4.709  100.000   83.452
LGA    L    17_B      L    17_B     0.082     0    0.012   0.061     0.641  100.000   97.619
LGA    K    18_B      K    18_B     0.339     0    0.062   0.324     1.419   97.619   96.878
LGA    E    19_B      E    19_B     0.593     0    0.043   0.300     1.051   92.857   90.529
LGA    W    20_B      W    20_B     0.473     0    0.012   0.209     0.615   97.619   97.959
LGA    Y    21_B      Y    21_B     0.539     0    0.034   0.158     0.639   92.857   94.444
LGA    D    22_B      D    22_B     0.774     0    0.057   0.070     0.994   90.476   90.476
LGA    A    23_B      A    23_B     0.810     0    0.022   0.027     0.947   90.476   90.476
LGA    M    24_B      M    24_B     0.648     0    0.043   1.162     2.759   90.476   80.893
LGA    N    25_B      N    25_B     0.723     0    0.042   0.085     0.935   90.476   90.476
LGA    E    26_B      E    26_B     0.777     0    0.013   0.122     1.019   88.214   89.524
LGA    G    27_B      G    27_B     1.025     0    0.041   0.041     1.166   83.690   83.690
LGA    D    28_B      D    28_B     1.036     0    0.054   0.116     1.691   88.214   83.750
LGA    M    29_B      M    29_B     0.832     0    0.035   0.613     1.315   88.214   87.083
LGA    E    30_B      E    30_B     0.860     0    0.059   0.968     3.718   90.476   76.667
LGA    K    31_B      K    31_B     0.819     0    0.077   1.027     5.738   90.476   68.889
LGA    L    32_B      L    32_B     0.484     0    0.036   0.108     0.565   92.857   95.238
LGA    R    33_B      R    33_B     0.574     0    0.055   0.898     5.235   90.476   70.563
LGA    S    34_B      S    34_B     0.554     0    0.110   0.130     0.950   90.476   90.476
LGA    L    35_B      L    35_B     0.241     0    0.115   0.117     0.426  100.000  100.000
LGA    V    36_B      V    36_B     0.366     0    0.028   0.070     0.437  100.000  100.000
LGA    D    37_B      D    37_B     0.397     0    0.015   0.094     0.915  100.000   96.429
LGA    P    38_B      P    38_B     0.234     0    0.057   0.071     0.467  100.000  100.000
LGA    D    39_B      D    39_B     0.213     0    0.017   0.635     1.810  100.000   94.286
LGA    A    40_B      A    40_B     0.198     0    0.046   0.049     0.266  100.000  100.000
LGA    S    41_B      S    41_B     0.113     0    0.111   0.139     0.452  100.000  100.000
LGA    F    42_B      F    42_B     0.467     0    0.053   0.095     0.664   95.238   96.537
LGA    V    43_B      V    43_B     0.632     0    0.053   0.072     0.886   90.476   90.476
LGA    D    44_B      D    44_B     0.550     0    0.042   0.205     1.283   90.476   90.536
LGA    A    45_B      A    45_B     0.696     0    0.105   0.103     0.875   90.476   90.476
LGA    R    46_B      R    46_B     1.142     0    0.035   1.473     8.335   81.429   56.883
LGA    T    47_B      T    47_B     0.934     0    0.031   0.069     1.242   90.476   87.891
LGA    N    48_B      N    48_B     0.411     0    0.029   1.043     2.793   95.238   88.750
LGA    Q    49_B      Q    49_B     0.744     0    0.059   0.192     1.628   90.476   85.556
LGA    V    50_B      V    50_B     0.562     0    0.014   0.047     0.915   95.238   93.197
LGA    Y    51_B      Y    51_B     0.314     0    0.024   0.088     0.556  100.000   99.206
LGA    D    52_B      D    52_B     0.300     0    0.042   0.215     0.755  100.000   98.810
LGA    K    53_B      K    53_B     0.165     0    0.021   0.092     0.457  100.000  100.000
LGA    D    54_B      D    54_B     0.094     0    0.044   0.151     0.352  100.000  100.000
LGA    Q    55_B      Q    55_B     0.169     0    0.051   0.085     0.507  100.000   98.942
LGA    F    56_B      F    56_B     0.105     0    0.018   0.058     0.623  100.000   97.403
LGA    L    57_B      L    57_B     0.403     0    0.018   0.067     0.573   97.619   97.619
LGA    Q    58_B      Q    58_B     0.496     0    0.034   1.635     6.448   97.619   70.476
LGA    M    59_B      M    59_B     0.383     0    0.039   0.168     0.873  100.000   96.429
LGA    I    60_B      I    60_B     0.508     0    0.047   0.116     0.899   95.238   94.048
LGA    K    61_B      K    61_B     0.634     0    0.015   0.313     2.214   90.476   84.656
LGA    E    62_B      E    62_B     0.408     0    0.046   0.231     1.058  100.000   95.820
LGA    A    63_B      A    63_B     0.207     0    0.033   0.052     0.256  100.000  100.000
LGA    L    64_B      L    64_B     0.365     0    0.025   0.062     0.435  100.000  100.000
LGA    E    65_B      E    65_B     0.426     0    0.053   0.159     1.085  100.000   93.704
LGA    Q    66_B      Q    66_B     0.324     0    0.037   0.891     2.083  100.000   93.069
LGA    D    67_B      D    67_B     0.493     0    0.061   0.126     0.803  100.000   95.238
LGA    L    68_B      L    68_B     0.340     0    0.042   0.049     0.451  100.000  100.000
LGA    K    69_B      K    69_B     0.307     0    0.070   0.268     0.622  100.000   97.884
LGA    V    70_B      V    70_B     0.490     0    0.100   1.043     2.616   95.238   85.918
LGA    E    71_B      E    71_B     0.339     0    0.037   0.574     1.777  100.000   95.926
LGA    V    72_B      V    72_B     0.214     0    0.032   0.072     0.313  100.000  100.000
LGA    K    73_B      K    73_B     0.488     0    0.059   0.493     1.795  100.000   90.794
LGA    S    74_B      S    74_B     0.508     0    0.045   0.059     0.624   90.476   92.063
LGA    I    75_B      I    75_B     0.550     0    0.064   0.163     1.165   90.595   94.107
LGA    D    76_B      D    76_B     0.941     0    0.072   0.661     2.961   90.476   84.048
LGA    I    77_B      I    77_B     0.642     0    0.108   0.154     2.250   95.238   86.310
LGA    E    78_B      E    78_B     0.786     0    0.104   0.338     2.972   84.048   78.995
LGA    Q    79_B      Q    79_B     3.821     0    0.055   0.824    11.701   48.452   24.444
LGA    Q    80_B      Q    80_B     2.887     0    0.048   1.272     4.191   57.262   55.873
LGA    P    81_B      P    81_B     1.988     0    0.203   0.333     2.507   64.881   65.986
LGA    D    82_B      D    82_B     3.322     0    0.581   1.209     4.910   47.143   53.274
LGA    G    83_B      G    83_B     2.103     0    0.121   0.121     2.353   64.762   64.762
LGA    D    84_B      D    84_B     2.175     0    0.130   0.196     3.616   73.095   62.560
LGA    V    85_B      V    85_B     0.509     0    0.071   0.121     0.862   95.238   95.918
LGA    V    86_B      V    86_B     0.646     0    0.030   0.186     1.099   95.238   91.905
LGA    I    87_B      I    87_B     0.571     0    0.057   0.613     1.976   95.238   89.524
LGA    V    88_B      V    88_B     0.608     0    0.033   0.073     0.911   90.476   90.476
LGA    K    89_B      K    89_B     0.644     0    0.032   0.734     4.094   95.238   78.148
LGA    V    90_B      V    90_B     0.419     0    0.011   0.047     0.430  100.000  100.000
LGA    K    91_B      K    91_B     0.403     0    0.055   0.197     0.519  100.000   97.884
LGA    V    92_B      V    92_B     0.430     0    0.028   1.081     2.505  100.000   88.844
LGA    R    93_B      R    93_B     0.394     0    0.094   0.247     0.949  100.000   97.403
LGA    A    94_B      A    94_B     0.442     0    0.060   0.071     0.549   97.619   96.190
LGA    T    95_B      T    95_B     0.569     0    0.068   1.043     2.241   92.857   84.490
LGA    M    96_B      M    96_B     0.839     0    0.048   0.904     2.099   90.476   82.917
LGA    V    97_B      V    97_B     0.844     0    0.045   0.107     1.083   92.857   90.544
LGA    R    98_B      R    98_B     0.654     0    0.111   1.253     7.430   90.476   62.468
LGA    Q   101_B      Q   101_B     0.307     0    0.185   1.131     5.191   95.238   78.042
LGA    E   102_B      E   102_B     0.621     0    0.049   0.517     1.848   92.857   87.566
LGA    H   103_B      H   103_B     0.596     0    0.092   0.215     1.424   92.857   88.714
LGA    V   104_B      V   104_B     0.588     0    0.031   0.087     1.209   90.476   89.184
LGA    F   105_B      F   105_B     0.343     0    0.074   0.090     1.206   97.619   91.429
LGA    E   106_B      E   106_B     0.413     0    0.073   1.064     5.221   95.238   71.429
LGA    V   107_B      V   107_B     0.405     0    0.038   0.078     0.681  100.000   95.918
LGA    V   108_B      V   108_B     0.451     0    0.033   0.070     0.595   95.238   95.918
LGA    D   109_B      D   109_B     0.621     0    0.025   0.050     0.726   90.476   90.476
LGA    T   110_B      T   110_B     0.712     0    0.056   0.069     0.985   90.476   90.476
LGA    Y   111_B      Y   111_B     0.535     0    0.028   0.080     0.909   90.476   90.476
LGA    E   112_B      E   112_B     0.444     0    0.039   0.324     1.195   95.238   94.762
LGA    F   113_B      F   113_B     0.548     0    0.056   0.196     1.446   90.476   86.364
LGA    R   114_B      R   114_B     0.572     0    0.060   0.468     1.810   90.476   88.918
LGA    R   115_B      R   115_B     0.986     0    0.039   0.555     3.105   85.952   70.563
LGA    K   116_B      K   116_B     0.749     0    0.074   0.677     1.398   90.476   87.460
LGA    G   117_B      G   117_B     1.109     0    0.009   0.009     1.109   88.214   88.214
LGA    D   118_B      D   118_B     0.614     0    0.067   0.530     2.102   88.214   83.869
LGA    S   119_B      S   119_B     1.136     0    0.124   0.172     2.042   88.214   81.746
LGA    W   120_B      W   120_B     0.869     0    0.038   0.192     1.383   90.476   84.014
LGA    K   121_B      K   121_B     0.431     0    0.040   0.182     0.824   95.238   92.593
LGA    I   122_B      I   122_B     0.569     0    0.050   0.104     0.622   92.857   91.667
LGA    V   123_B      V   123_B     0.273     0    0.060   0.083     0.432  100.000  100.000
LGA    K   124_B      K   124_B     0.317     0    0.033   0.145     0.663  100.000   97.884
LGA    L   125_B      L   125_B     0.476     0    0.121   0.155     0.476  100.000  100.000
LGA    V   126_B      V   126_B     0.545     0    0.025   0.100     0.681   92.857   93.197
LGA    S   127_B      S   127_B     0.598     0    0.044   0.127     0.631   90.476   92.063
LGA    E   128_B      E   128_B     0.604     0    0.113   0.777     2.948   95.238   84.074
LGA    I   129_B      I   129_B     1.407     0    0.073   0.136     3.731   77.381   66.488
LGA    T   130_B      T   130_B     3.475     0    0.650   0.917     5.571   44.524   40.884
LGA    Q   131_B      Q   131_B     4.614     0    0.076   1.053    12.144   42.262   20.688
LGA    L   132_B      L   132_B     1.402     0    0.625   0.555     8.672   83.810   51.726
LGA    G   133_B      G   133_B     2.835     0    0.340   0.340     2.835   71.071   71.071
LGA    S   134_B      S   134_B     2.045     0    0.608   0.804     4.145   57.976   54.206

# 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):     1.075          1.065                  1.807           90.718   85.909

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    126    1.08    95.635    97.765    10.720

LGA_LOCAL      RMSD:   1.075  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.075  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.075  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.592598 * X  +   0.238997 * Y  +  -0.769225 * Z  +  11.844961
  Y_new =   0.351410 * X  +  -0.936006 * Y  +  -0.020095 * Z  +  13.716519
  Z_new =  -0.724802 * X  +  -0.258405 * Y  +  -0.638661 * Z  +  28.816137 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.535255  0.810748 -2.757124   [DEG:   30.6679   46.4524 -157.9716 ]
ZXZ: -1.544678  2.263554 -1.913265   [DEG:  -88.5035  129.6921 -109.6220 ]
 
# END of job
