
#######################################################
#                                                     #
#                        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       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        0.85     1.31
  LCS_AVERAGE:     50.28

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     74  126  126     61  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     74  126  126     52  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     74  126  126     55  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     74  126  126     79  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     74  126  126     74  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     74  126  126     74  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     74  126  126     74  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     74  126  126     78  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     74  126  126     79  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     74  126  126     45  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     74  126  126     61  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     74  126  126     69  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     74  126  126     78  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     74  126  126     55  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     74  126  126     30  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     74  126  126     22  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     74  126  126     22  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     74  126  126     78  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     74  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     74  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     74  126  126     38  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     74  126  126      4   74  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     74  126  126      3    3    4   45  119  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     74  126  126      3    5   21   71  107  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4  126  126      6    6   11   17   35   53   60   73   92  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     50  126  126      3    5   24   89  118  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     50  126  126      3   29  105  119  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     50  126  126     10   69  113  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     50  126  126     68  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     50  126  126     30  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     50  126  126     78  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     50  126  126     75  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     50  126  126     57  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     50  126  126     76  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     50  126  126      5   92  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     50  126  126     60  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     50  126  126     78  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     50  126  126     80  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     50  126  126     81  115  118  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     50  126  126      3   11   74  120  121  122  124  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3  126  126      0   15   24   40   57   87  109  124  125  125  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  83.43  (  50.28  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     81    115    118    120    121    122    124    124    125    125    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  64.29  91.27  93.65  95.24  96.03  96.83  98.41  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.47   0.52   0.61   0.66   0.71   0.92   0.92   1.10   1.10   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27
GDT RMS_ALL_AT   1.34   1.32   1.32   1.31   1.30   1.30   1.28   1.28   1.28   1.28   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27

# 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:  D    39_B      D    39_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   102_B      E   102_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     1.163     0    0.274   0.926     4.171   79.286   65.026
LGA    E     8_B      E     8_B     1.012     0    0.040   1.044     5.052   88.214   67.302
LGA    A     9_B      A     9_B     0.793     0    0.050   0.072     0.905   90.476   90.476
LGA    K    10_B      K    10_B     0.852     0    0.040   0.777     3.985   90.476   75.185
LGA    E    11_B      E    11_B     0.977     0    0.037   0.759     4.781   90.476   71.852
LGA    A    12_B      A    12_B     0.868     0    0.028   0.028     1.098   90.476   88.667
LGA    I    13_B      I    13_B     0.728     0    0.022   0.438     1.245   92.857   89.405
LGA    I    14_B      I    14_B     0.467     0    0.035   0.217     1.253   97.619   95.298
LGA    A    15_B      A    15_B     0.383     0    0.047   0.070     0.535  100.000   98.095
LGA    M    16_B      M    16_B     0.519     0    0.021   0.669     2.007   97.619   86.429
LGA    L    17_B      L    17_B     0.230     0    0.011   0.047     0.580  100.000   97.619
LGA    K    18_B      K    18_B     0.213     0    0.061   0.328     1.040  100.000   97.937
LGA    E    19_B      E    19_B     0.584     0    0.041   0.313     1.149   92.857   90.529
LGA    W    20_B      W    20_B     0.555     0    0.014   0.219     0.922   90.476   93.878
LGA    Y    21_B      Y    21_B     0.475     0    0.026   0.144     0.485  100.000  100.000
LGA    D    22_B      D    22_B     0.534     0    0.066   0.079     0.613   92.857   91.667
LGA    A    23_B      A    23_B     0.667     0    0.020   0.030     0.745   90.476   90.476
LGA    M    24_B      M    24_B     0.686     0    0.045   0.604     2.325   90.476   86.131
LGA    N    25_B      N    25_B     0.594     0    0.034   0.094     0.993   92.857   91.667
LGA    E    26_B      E    26_B     0.531     0    0.021   0.117     0.803   90.476   93.651
LGA    G    27_B      G    27_B     0.815     0    0.047   0.047     0.973   90.476   90.476
LGA    D    28_B      D    28_B     0.793     0    0.049   0.153     1.556   90.476   87.143
LGA    M    29_B      M    29_B     0.639     0    0.037   0.597     1.305   90.476   89.405
LGA    E    30_B      E    30_B     0.606     0    0.058   1.006     4.116   90.476   75.344
LGA    K    31_B      K    31_B     0.568     0    0.078   1.031     5.499   92.857   71.270
LGA    L    32_B      L    32_B     0.317     0    0.041   0.109     0.393  100.000  100.000
LGA    R    33_B      R    33_B     0.419     0    0.036   1.112     5.634  100.000   78.658
LGA    S    34_B      S    34_B     0.401     0    0.098   0.119     0.731   97.619   98.413
LGA    L    35_B      L    35_B     0.263     0    0.097   0.115     0.428  100.000  100.000
LGA    V    36_B      V    36_B     0.445     0    0.026   0.068     0.569  100.000   98.639
LGA    D    37_B      D    37_B     0.361     0    0.016   0.083     0.704  100.000   97.619
LGA    P    38_B      P    38_B     0.269     0    0.067   0.081     0.525  100.000   98.639
LGA    D    39_B      D    39_B     0.247     0    0.024   0.723     2.211  100.000   92.083
LGA    A    40_B      A    40_B     0.218     0    0.024   0.023     0.316  100.000  100.000
LGA    S    41_B      S    41_B     0.463     0    0.104   0.100     0.506  100.000   98.413
LGA    F    42_B      F    42_B     0.325     0    0.082   1.277     8.035   97.619   58.225
LGA    V    43_B      V    43_B     0.454     0    0.049   0.068     0.638   97.619   94.558
LGA    D    44_B      D    44_B     0.440     0    0.045   0.055     1.019  100.000   94.107
LGA    A    45_B      A    45_B     0.278     0    0.086   0.084     0.808   97.619   98.095
LGA    R    46_B      R    46_B     0.600     0    0.043   1.750     8.748   92.857   62.424
LGA    T    47_B      T    47_B     0.973     0    0.047   0.062     1.212   88.214   86.599
LGA    N    48_B      N    48_B     0.700     0    0.021   1.099     3.722   90.476   81.250
LGA    Q    49_B      Q    49_B     0.657     0    0.088   1.180     5.136   95.238   71.111
LGA    V    50_B      V    50_B     0.453     0    0.016   0.044     0.881   97.619   94.558
LGA    Y    51_B      Y    51_B     0.346     0    0.023   0.096     0.658  100.000   96.032
LGA    D    52_B      D    52_B     0.363     0    0.044   0.156     0.775  100.000   98.810
LGA    K    53_B      K    53_B     0.257     0    0.018   0.163     0.582  100.000   96.825
LGA    D    54_B      D    54_B     0.174     0    0.053   0.244     0.466  100.000  100.000
LGA    Q    55_B      Q    55_B     0.336     0    0.049   0.079     0.883  100.000   96.825
LGA    F    56_B      F    56_B     0.417     0    0.026   0.318     1.469   95.238   92.294
LGA    L    57_B      L    57_B     0.533     0    0.029   0.059     0.710   92.857   95.238
LGA    Q    58_B      Q    58_B     0.613     0    0.034   1.622     6.413   90.476   66.402
LGA    M    59_B      M    59_B     0.682     0    0.035   0.157     1.092   90.476   89.345
LGA    I    60_B      I    60_B     0.713     0    0.031   0.190     1.159   90.476   89.345
LGA    K    61_B      K    61_B     0.694     0    0.014   0.332     2.158   90.476   84.656
LGA    E    62_B      E    62_B     0.487     0    0.034   0.188     0.847   97.619   96.825
LGA    A    63_B      A    63_B     0.433     0    0.032   0.055     0.433  100.000  100.000
LGA    L    64_B      L    64_B     0.317     0    0.027   0.063     0.421  100.000  100.000
LGA    E    65_B      E    65_B     0.223     0    0.068   0.143     1.017   97.619   94.762
LGA    Q    66_B      Q    66_B     0.260     0    0.035   0.681     1.606  100.000   93.968
LGA    D    67_B      D    67_B     0.165     0    0.042   0.830     3.103  100.000   84.940
LGA    L    68_B      L    68_B     0.266     0    0.035   0.057     0.370  100.000  100.000
LGA    K    69_B      K    69_B     0.207     0    0.047   0.894     4.547  100.000   84.550
LGA    V    70_B      V    70_B     0.368     0    0.043   0.070     0.547  100.000   98.639
LGA    E    71_B      E    71_B     0.273     0    0.031   0.566     1.654  100.000   95.926
LGA    V    72_B      V    72_B     0.192     0    0.025   0.048     0.279  100.000  100.000
LGA    K    73_B      K    73_B     0.254     0    0.043   0.488     1.497  100.000   95.873
LGA    S    74_B      S    74_B     0.260     0    0.045   0.064     0.419  100.000  100.000
LGA    I    75_B      I    75_B     0.344     0    0.065   0.158     1.007   92.976   95.298
LGA    D    76_B      D    76_B     0.856     0    0.069   0.668     2.425   90.476   85.000
LGA    I    77_B      I    77_B     1.103     0    0.152   0.138     1.558   81.429   80.357
LGA    E    78_B      E    78_B     1.761     0    0.595   0.825     2.996   71.071   66.772
LGA    Q    79_B      Q    79_B     3.102     0    0.027   1.034    11.032   45.833   24.392
LGA    Q    80_B      Q    80_B     4.716     0    0.043   1.530     9.514   46.190   25.291
LGA    P    81_B      P    81_B     7.335     0    0.678   0.579    11.623   15.714    9.048
LGA    D    82_B      D    82_B     4.247     0    0.095   0.205     6.138   46.310   36.488
LGA    G    83_B      G    83_B     2.549     0    0.450   0.450     2.738   62.976   62.976
LGA    D    84_B      D    84_B     2.384     0    0.146   0.224     4.116   70.952   56.429
LGA    V    85_B      V    85_B     0.542     0    0.055   0.161     1.150   92.976   90.612
LGA    V    86_B      V    86_B     0.378     0    0.042   0.199     0.887  100.000   97.279
LGA    I    87_B      I    87_B     0.450     0    0.040   0.608     1.685  100.000   91.905
LGA    V    88_B      V    88_B     0.354     0    0.032   0.085     0.503  100.000   98.639
LGA    K    89_B      K    89_B     0.446     0    0.031   0.623     2.981   97.619   88.042
LGA    V    90_B      V    90_B     0.297     0    0.014   0.037     0.311  100.000  100.000
LGA    K    91_B      K    91_B     0.197     0    0.047   0.209     0.517  100.000   98.942
LGA    V    92_B      V    92_B     0.264     0    0.039   0.053     0.279  100.000  100.000
LGA    R    93_B      R    93_B     0.224     0    0.080   0.182     0.766  100.000   97.403
LGA    A    94_B      A    94_B     0.317     0    0.020   0.033     0.448  100.000  100.000
LGA    T    95_B      T    95_B     0.402     0    0.047   0.992     2.181  100.000   89.728
LGA    M    96_B      M    96_B     0.431     0    0.037   0.787     1.944  100.000   91.964
LGA    V    97_B      V    97_B     0.317     0    0.063   0.177     0.834   97.619   97.279
LGA    R    98_B      R    98_B     0.911     0    0.121   1.408     9.725   88.214   49.048
LGA    Q   101_B      Q   101_B     0.412     0    0.194   0.711     3.308   92.857   83.069
LGA    E   102_B      E   102_B     0.655     0    0.066   0.395     2.371   90.476   83.704
LGA    H   103_B      H   103_B     0.526     0    0.092   0.105     1.186   95.238   90.571
LGA    V   104_B      V   104_B     0.516     0    0.032   0.097     1.124   95.238   91.905
LGA    F   105_B      F   105_B     0.190     0    0.070   0.076     0.533  100.000   98.268
LGA    E   106_B      E   106_B     0.228     0    0.062   0.992     3.711  100.000   85.026
LGA    V   107_B      V   107_B     0.276     0    0.041   0.059     0.533  100.000   98.639
LGA    V   108_B      V   108_B     0.417     0    0.044   0.080     0.765  100.000   97.279
LGA    D   109_B      D   109_B     0.369     0    0.014   0.049     0.523   97.619   98.810
LGA    T   110_B      T   110_B     0.463     0    0.044   0.052     0.678  100.000   95.918
LGA    Y   111_B      Y   111_B     0.303     0    0.025   0.047     0.412  100.000  100.000
LGA    E   112_B      E   112_B     0.330     0    0.041   0.285     1.272  100.000   94.762
LGA    F   113_B      F   113_B     0.313     0    0.053   0.204     1.191  100.000   93.160
LGA    R   114_B      R   114_B     0.418     0    0.046   0.899     1.913   95.238   88.225
LGA    R   115_B      R   115_B     0.737     0    0.045   0.558     3.932   90.595   67.792
LGA    K   116_B      K   116_B     0.750     0    0.140   0.843     2.520   92.857   84.815
LGA    G   117_B      G   117_B     0.749     0    0.012   0.012     0.749   95.238   95.238
LGA    D   118_B      D   118_B     0.460     0    0.077   0.520     2.187   90.595   86.190
LGA    S   119_B      S   119_B     1.423     0    0.165   0.227     2.260   88.214   80.397
LGA    W   120_B      W   120_B     0.714     0    0.038   0.170     1.151   90.476   85.306
LGA    K   121_B      K   121_B     0.352     0    0.021   0.137     0.655  100.000   97.884
LGA    I   122_B      I   122_B     0.492     0    0.053   0.106     0.568   97.619   95.238
LGA    V   123_B      V   123_B     0.219     0    0.059   0.074     0.386  100.000  100.000
LGA    K   124_B      K   124_B     0.273     0    0.036   0.143     0.554  100.000   98.942
LGA    L   125_B      L   125_B     0.334     0    0.118   0.133     0.370  100.000  100.000
LGA    V   126_B      V   126_B     0.279     0    0.022   0.085     0.381  100.000  100.000
LGA    S   127_B      S   127_B     0.362     0    0.039   0.611     1.812  100.000   95.476
LGA    E   128_B      E   128_B     0.670     0    0.116   0.744     2.673   92.857   82.011
LGA    I   129_B      I   129_B     0.641     0    0.061   0.139     1.298   90.476   89.345
LGA    T   130_B      T   130_B     0.344     0    0.037   0.059     0.603  100.000   97.279
LGA    Q   131_B      Q   131_B     0.410     0    0.039   1.028     3.129  100.000   89.206
LGA    L   132_B      L   132_B     0.460     0    0.628   0.596     2.432   91.190   93.214
LGA    G   133_B      G   133_B     2.302     0    0.588   0.588     5.167   49.762   49.762
LGA    S   134_B      S   134_B     7.046     0    0.392   0.754    11.305   10.714    8.095

# 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):     1.272          1.301                  1.972           92.543   86.968

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    124    0.92    96.230    97.800    12.208

LGA_LOCAL      RMSD:   0.916  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.283  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.272  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.798354 * X  +  -0.051246 * Y  +   0.600004 * Z  +  10.805991
  Y_new =   0.575347 * X  +   0.359069 * Y  +  -0.734878 * Z  +  13.948406
  Z_new =  -0.177783 * X  +   0.931903 * Y  +   0.316148 * Z  +  25.749619 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.624462  0.178733  1.243730   [DEG:   35.7790   10.2407   71.2605 ]
ZXZ:  0.684702  1.249129 -0.188509   [DEG:   39.2306   71.5698  -10.8008 ]
 
# END of job
