
#######################################################
#                                                     #
#                        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  136 ( 1106),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110       3_A - 112_A       0.96     1.20
  LCS_AVERAGE:     72.11

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A    110  132  132     28   78  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V     4_A     V     4_A    110  132  132     30   83  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D     5_A     D     5_A    110  132  132     30   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     6_A     K     6_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R     7_A     R     7_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     8_A     K     8_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I     9_A     I     9_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    10_A     K    10_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    11_A     I    11_A    110  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    12_A     I    12_A    110  132  132     32   82  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    13_A     L    13_A    110  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    14_A     N    14_A    110  132  132     32   82  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    15_A     G    15_A    110  132  132     32   78  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    16_A     E    16_A    110  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    17_A     M    17_A    110  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    18_A     E    18_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    19_A     E    19_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    20_A     A    20_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    21_A     E    21_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    22_A     L    22_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    23_A     H    23_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    24_A     M    24_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    25_A     I    25_A    110  132  132     24   82  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    26_A     T    26_A    110  132  132     28   80  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    27_A     S    27_A    110  132  132     23   78  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    28_A     P    28_A    110  132  132     13   72  119  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    29_A     N    29_A    110  132  132     13   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    30_A     R    30_A    110  132  132     19   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    31_A     H    31_A    110  132  132     14   63  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    32_A     C    32_A    110  132  132     28   78  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    33_A     C    33_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    34_A     L    34_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    35_A     K    35_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    36_A     I    36_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    37_A     F    37_A    110  132  132     28   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    38_A     H    38_A    110  132  132     28   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    39_A     N    39_A    110  132  132      8   50  107  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    40_A     N    40_A    110  132  132     32   76  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    41_A     N    41_A    110  132  132     20   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    42_A     Q    42_A    110  132  132     28   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    43_A     L    43_A    110  132  132     28   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    44_A     A    44_A    110  132  132     19   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    45_A     E    45_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    46_A     S    46_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    47_A     N    47_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    48_A     D    48_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    49_A     T    49_A    110  132  132     29   66  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    50_A     D    50_A    110  132  132     29   66  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    51_A     Y    51_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    53_A     S    53_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    54_A     C    54_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    55_A     F    55_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    56_A     A    56_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    57_A     D    57_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    58_A     L    58_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    59_A     R    59_A    110  132  132     14   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    60_A     N    60_A    110  132  132     11   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    61_A     Q    61_A    110  132  132      9   29  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    62_A     L    62_A    110  132  132      9   29  121  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    63_A     K    63_A    110  132  132      4   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    64_A     N    64_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    65_A     I    65_A    110  132  132     19   68  121  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    66_A     I    66_A    110  132  132     19   59  117  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    67_A     F    67_A    110  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    68_A     L    68_A    110  132  132     28   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    69_A     C    69_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    70_A     K    70_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    71_A     G    71_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    72_A     A    72_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    73_A     K    73_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    74_A     I    74_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    75_A     N    75_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    76_A     V    76_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    77_A     Y    77_A    110  132  132     30   79  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    78_A     P    78_A    110  132  132     16   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    79_A     S    79_A    110  132  132      5   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    80_A     A    80_A    110  132  132     13   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    81_A     M    81_A    110  132  132      6   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    82_A     S    82_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    83_A     R    83_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    84_A     D    84_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    85_A     M    85_A    110  132  132     25   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    86_A     S    86_A    110  132  132     27   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    87_A     D    87_A    110  132  132     22   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    88_A     G    88_A    110  132  132     22   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    89_A     I    89_A    110  132  132     29   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    90_A     V    90_A    110  132  132     24   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    91_A     A    91_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    92_A     Y    92_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    93_A     E    93_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    94_A     T    94_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    95_A     T    95_A    110  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    96_A     L    96_A    110  132  132      4   20  121  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    97_A     G    97_A    110  132  132     22   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    98_A     Q    98_A    110  132  132     18   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    99_A     P    99_A    110  132  132      8   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   100_A     G   100_A    110  132  132     11   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   101_A     L   101_A    110  132  132     33   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   102_A     P   102_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   103_A     E   103_A    110  132  132     17   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N   104_A     N   104_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   105_A     Q   105_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   106_A     V   106_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   107_A     H   107_A    110  132  132     32   83  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   108_A     I   108_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   109_A     F   109_A    110  132  132     32   83  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   110_A     D   110_A    110  132  132     14   78  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   111_A     F   111_A    110  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   112_A     E   112_A    110  132  132     18   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   113_A     D   113_A     51  132  132      3   11   29   92  121  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   114_A     K   114_A     48  132  132      4   16   69  107  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y   115_A     Y   115_A      5  132  132      3    5    7   10   24   76  115  124  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   116_A     V   116_A     19  132  132      3   47   99  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   117_A     D   117_A     19  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   118_A     I   118_A     19  132  132     16   63  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   119_A     T   119_A     19  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   120_A     P   120_A     19  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   121_A     E   121_A     19  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   122_A     E   122_A     19  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   123_A     Q   123_A     19  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R   124_A     R   124_A     19  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   125_A     K   125_A     19  132  132     34   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   126_A     F   126_A     19  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   127_A     H   127_A     19  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   128_A     S   128_A     19  132  132     32   85  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   129_A     Q   129_A     19  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     W   130_A     W   130_A     19  132  132     32   78  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   131_A     F   131_A     19  132  132     32   82  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   132_A     E   132_A     19  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   133_A     S   133_A     19  132  132     32   84  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   134_A     L   134_A     19  132  132     32   82  122  129  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_AVERAGE  LCS_A:  90.70  (  72.11  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     34     85    122    129    129    131    131    131    131    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  25.76  64.39  92.42  97.73  97.73  99.24  99.24  99.24  99.24 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.72   0.90   0.98   0.98   1.06   1.06   1.06   1.06   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19
GDT RMS_ALL_AT   1.31   1.21   1.20   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  F   126_A      F   126_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.276     3    0.071   0.086     1.427   81.429   50.893
LGA    V     4_A      V     4_A     0.934     0    0.070   0.109     1.079   88.214   86.599
LGA    D     5_A      D     5_A     0.814     0    0.083   0.324     1.660   90.476   86.012
LGA    K     6_A      K     6_A     0.350     0    0.073   0.107     1.468   97.619   91.640
LGA    R     7_A      R     7_A     0.369     0    0.083   1.078     7.629   97.619   62.381
LGA    K     8_A      K     8_A     0.507     0    0.045   0.815     4.609   97.619   76.349
LGA    I     9_A      I     9_A     0.359     0    0.063   0.100     1.161  100.000   94.107
LGA    K    10_A      K    10_A     0.538     0    0.026   0.103     0.847   92.857   93.651
LGA    I    11_A      I    11_A     0.922     0    0.093   1.027     3.269   85.952   75.893
LGA    I    12_A      I    12_A     1.135     0    0.090   0.659     2.132   79.286   77.202
LGA    L    13_A      L    13_A     1.046     0    0.032   0.871     3.933   81.429   70.655
LGA    N    14_A      N    14_A     1.231     0    0.068   0.238     1.832   81.429   79.286
LGA    G    15_A      G    15_A     1.403     0    0.022   0.022     1.403   81.429   81.429
LGA    E    16_A      E    16_A     1.025     0    0.065   0.841     3.892   83.690   71.481
LGA    M    17_A      M    17_A     1.045     0    0.014   0.657     1.566   88.214   84.881
LGA    E    18_A      E    18_A     0.574     0    0.071   0.881     2.877   88.214   76.349
LGA    E    19_A      E    19_A     0.206     0    0.043   0.620     3.044  100.000   81.005
LGA    A    20_A      A    20_A     0.563     0    0.058   0.096     0.605   97.619   96.190
LGA    E    21_A      E    21_A     0.428     0    0.066   0.677     1.873   97.619   89.788
LGA    L    22_A      L    22_A     0.142     0    0.083   1.114     3.261   97.619   84.583
LGA    H    23_A      H    23_A     0.188     0    0.030   0.077     0.821  100.000   95.238
LGA    M    24_A      M    24_A     0.680     0    0.060   1.162     6.362   92.857   73.988
LGA    I    25_A      I    25_A     1.038     0    0.080   0.127     1.321   83.690   85.952
LGA    T    26_A      T    26_A     1.222     0    0.040   0.094     1.711   81.429   77.755
LGA    S    27_A      S    27_A     1.468     0    0.034   0.749     4.743   81.429   70.317
LGA    P    28_A      P    28_A     1.687     0    0.655   0.576     4.319   64.048   70.272
LGA    N    29_A      N    29_A     0.846     0    0.149   1.118     3.144   83.810   77.619
LGA    R    30_A      R    30_A     1.067     0    0.079   0.868     6.482   83.690   61.818
LGA    H    31_A      H    31_A     1.564     0    0.137   1.205     7.315   79.286   51.190
LGA    C    32_A      C    32_A     1.276     0    0.058   0.867     4.422   85.952   75.635
LGA    C    33_A      C    33_A     0.749     0    0.015   0.045     0.905   90.476   90.476
LGA    L    34_A      L    34_A     0.658     0    0.049   1.323     2.839   90.476   79.940
LGA    K    35_A      K    35_A     0.518     0    0.063   0.627     1.443   90.476   90.529
LGA    I    36_A      I    36_A     0.529     0    0.016   1.222     2.827   90.476   78.929
LGA    F    37_A      F    37_A     0.576     0    0.056   0.101     0.982   92.857   97.403
LGA    H    38_A      H    38_A     1.064     0    0.077   1.126     4.532   79.405   67.000
LGA    N    39_A      N    39_A     2.150     0    0.016   1.120     5.024   68.810   63.274
LGA    N    40_A      N    40_A     1.335     0    0.059   1.052     3.370   79.286   73.214
LGA    N    41_A      N    41_A     1.248     0    0.069   0.944     5.794   83.690   62.202
LGA    Q    42_A      Q    42_A     1.102     0    0.100   0.420     1.837   79.286   82.540
LGA    L    43_A      L    43_A     1.069     0    0.053   1.340     2.482   83.690   79.524
LGA    A    44_A      A    44_A     1.086     0    0.052   0.063     1.403   85.952   85.048
LGA    E    45_A      E    45_A     0.898     0    0.058   0.207     1.101   88.214   87.460
LGA    S    46_A      S    46_A     1.017     0    0.034   0.058     1.455   88.214   85.952
LGA    N    47_A      N    47_A     0.964     0    0.048   0.115     1.087   85.952   88.214
LGA    D    48_A      D    48_A     1.089     0    0.040   0.135     1.298   81.429   81.429
LGA    T    49_A      T    49_A     1.380     0    0.015   0.065     1.752   79.286   76.531
LGA    D    50_A      D    50_A     1.439     0    0.111   1.009     2.766   81.429   79.583
LGA    Y    51_A      Y    51_A     0.808     0    0.123   1.454     9.698   88.214   49.722
LGA    F    52_A      F    52_A     1.072     0    0.012   0.127     1.911   83.690   77.576
LGA    S    53_A      S    53_A     1.126     0    0.011   0.055     1.499   81.429   81.429
LGA    C    54_A      C    54_A     0.891     0    0.014   0.033     0.992   90.476   90.476
LGA    F    55_A      F    55_A     0.619     0    0.047   0.401     2.006   90.476   84.113
LGA    A    56_A      A    56_A     0.714     0    0.018   0.025     0.728   90.476   90.476
LGA    D    57_A      D    57_A     0.689     0    0.020   0.443     1.465   90.476   87.083
LGA    L    58_A      L    58_A     0.762     0    0.023   1.287     2.716   90.476   83.095
LGA    R    59_A      R    59_A     1.023     0    0.019   0.939     3.059   83.690   81.039
LGA    N    60_A      N    60_A     0.891     0    0.022   0.849     3.222   85.952   77.738
LGA    Q    61_A      Q    61_A     1.351     0    0.111   0.798     4.694   77.143   64.815
LGA    L    62_A      L    62_A     1.681     0    0.097   0.686     3.511   79.286   71.429
LGA    K    63_A      K    63_A     0.939     0    0.020   0.604     3.379   88.214   81.958
LGA    N    64_A      N    64_A     0.608     0    0.015   1.160     4.563   85.952   71.964
LGA    I    65_A      I    65_A     1.645     0    0.078   0.157     2.119   75.000   71.905
LGA    I    66_A      I    66_A     1.704     0    0.072   0.472     3.613   79.405   71.429
LGA    F    67_A      F    67_A     0.947     0    0.117   0.114     2.110   88.214   79.307
LGA    L    68_A      L    68_A     0.775     0    0.237   0.301     1.785   86.071   84.881
LGA    C    69_A      C    69_A     0.360     0    0.068   0.779     2.718   97.619   89.683
LGA    K    70_A      K    70_A     0.336     0    0.017   0.082     0.685  100.000   95.767
LGA    G    71_A      G    71_A     0.400     0    0.043   0.043     0.708   95.238   95.238
LGA    A    72_A      A    72_A     0.460     0    0.031   0.032     0.627  100.000   98.095
LGA    K    73_A      K    73_A     0.391     0    0.014   0.106     1.196  100.000   93.704
LGA    I    74_A      I    74_A     0.678     0    0.029   0.214     1.520   88.214   86.012
LGA    N    75_A      N    75_A     0.832     0    0.055   1.144     3.746   90.476   78.214
LGA    V    76_A      V    76_A     0.467     0    0.073   0.076     0.598   92.857   95.918
LGA    Y    77_A      Y    77_A     1.130     0    0.195   0.711     6.098   88.214   57.341
LGA    P    78_A      P    78_A     1.003     0    0.654   0.715     3.548   74.167   76.054
LGA    S    79_A      S    79_A     1.201     0    0.017   0.079     1.387   81.429   81.429
LGA    A    80_A      A    80_A     1.167     0    0.018   0.022     1.326   81.429   81.429
LGA    M    81_A      M    81_A     1.069     0    0.031   1.256     4.937   85.952   68.869
LGA    S    82_A      S    82_A     1.065     0    0.079   0.661     2.290   81.429   78.651
LGA    R    83_A      R    83_A     1.102     0    0.030   1.136     2.760   81.429   76.190
LGA    D    84_A      D    84_A     0.919     0    0.080   0.830     3.003   90.476   78.869
LGA    M    85_A      M    85_A     0.563     0    0.044   0.942     4.476   90.476   79.643
LGA    S    86_A      S    86_A     0.556     0    0.065   0.673     3.207   90.476   83.730
LGA    D    87_A      D    87_A     0.884     0    0.068   0.212     2.136   90.476   81.726
LGA    G    88_A      G    88_A     0.834     0    0.033   0.033     0.958   90.476   90.476
LGA    I    89_A      I    89_A     0.903     0    0.042   0.127     1.053   88.214   89.345
LGA    V    90_A      V    90_A     0.918     0    0.029   0.077     1.390   90.476   86.599
LGA    A    91_A      A    91_A     0.814     0    0.071   0.118     0.878   90.476   90.476
LGA    Y    92_A      Y    92_A     0.634     0    0.017   0.106     1.026   90.476   89.722
LGA    E    93_A      E    93_A     0.495     0    0.021   0.767     2.521   92.857   83.016
LGA    T    94_A      T    94_A     0.650     0    0.053   0.060     1.344   95.238   91.905
LGA    T    95_A      T    95_A     0.703     0    0.055   0.104     1.785   92.857   86.735
LGA    L    96_A      L    96_A     1.802     0    0.102   1.409     6.863   77.143   55.952
LGA    G    97_A      G    97_A     0.617     0    0.081   0.081     0.958   90.476   90.476
LGA    Q    98_A      Q    98_A     0.822     0    0.119   1.499     5.348   85.952   71.058
LGA    P    99_A      P    99_A     1.005     0    0.038   0.326     1.522   85.952   84.082
LGA    G   100_A      G   100_A     0.995     0    0.026   0.026     1.102   88.214   88.214
LGA    L   101_A      L   101_A     0.476     0    0.045   0.142     1.023   97.619   95.298
LGA    P   102_A      P   102_A     0.417     0    0.026   0.033     0.813   95.238   95.918
LGA    E   103_A      E   103_A     0.859     0    0.029   0.979     3.414   90.476   79.101
LGA    N   104_A      N   104_A     0.631     0    0.070   0.143     0.789   90.476   90.476
LGA    Q   105_A      Q   105_A     0.834     0    0.050   0.127     1.115   90.476   87.460
LGA    V   106_A      V   106_A     0.949     0    0.026   0.077     1.024   88.214   89.184
LGA    H   107_A      H   107_A     1.098     0    0.055   0.186     1.606   85.952   82.381
LGA    I   108_A      I   108_A     0.879     0    0.051   1.441     3.760   90.476   77.083
LGA    F   109_A      F   109_A     1.092     0    0.015   0.536     3.152   81.429   71.039
LGA    D   110_A      D   110_A     1.143     0    0.068   0.195     1.983   85.952   80.476
LGA    F   111_A      F   111_A     0.394     0    0.048   0.122     1.536   88.452   85.671
LGA    E   112_A      E   112_A     1.032     0    0.063   0.552     2.487   77.381   79.735
LGA    D   113_A      D   113_A     3.675     0    0.179   1.017     4.932   46.905   41.310
LGA    K   114_A      K   114_A     3.232     0    0.007   1.249     6.633   45.357   47.407
LGA    Y   115_A      Y   115_A     6.255     0    0.467   1.458    14.518   24.048    8.492
LGA    V   116_A      V   116_A     2.115     0    0.638   0.908     3.138   63.095   66.190
LGA    D   117_A      D   117_A     0.335     0    0.235   1.232     4.343   92.976   78.631
LGA    I   118_A      I   118_A     1.274     0    0.115   1.665     3.825   88.214   73.988
LGA    T   119_A      T   119_A     0.815     0    0.021   0.068     1.290   88.214   85.306
LGA    P   120_A      P   120_A     0.342     0    0.024   0.039     0.582   97.619   94.558
LGA    E   121_A      E   121_A     0.627     0    0.049   0.942     5.176   95.238   72.963
LGA    E   122_A      E   122_A     0.717     0    0.032   0.265     1.222   90.476   88.466
LGA    Q   123_A      Q   123_A     0.625     0    0.013   0.542     1.484   90.476   87.460
LGA    R   124_A      R   124_A     0.412     0    0.018   1.232     3.480   97.619   86.320
LGA    K   125_A      K   125_A     0.475     0    0.017   1.271     5.621   95.238   74.021
LGA    F   126_A      F   126_A     0.998     0    0.005   0.202     2.275   85.952   76.926
LGA    H   127_A      H   127_A     1.070     0    0.030   1.579     5.091   83.690   62.810
LGA    S   128_A      S   128_A     0.796     0    0.031   0.114     0.990   90.476   92.063
LGA    Q   129_A      Q   129_A     1.022     0    0.013   0.201     2.071   83.690   78.677
LGA    W   130_A      W   130_A     1.374     0    0.061   0.173     1.678   81.429   76.531
LGA    F   131_A      F   131_A     1.206     0    0.068   0.180     2.136   83.690   77.662
LGA    E   132_A      E   132_A     1.064     0    0.079   0.967     3.397   81.429   74.603
LGA    S   133_A      S   133_A     1.159     0    0.015   0.066     1.362   81.429   81.429
LGA    L   134_A      L   134_A     1.333     0    0.042   0.123     2.307   75.119   82.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):     1.188          1.200                  2.102           86.229   79.522

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  136  132    4.0    131    1.06    90.341    96.149    11.277

LGA_LOCAL      RMSD:   1.062  Number of atoms:  131  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.190  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   1.188  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.558944 * X  +   0.819871 * Y  +   0.124073 * Z  + -37.583637
  Y_new =   0.465650 * X  +  -0.186539 * Y  +  -0.865086 * Z  +  12.605427
  Z_new =  -0.686114 * X  +   0.541309 * Y  +  -0.486037 * Z  +   7.223574 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.694594  0.756134  2.302446   [DEG:   39.7973   43.3233  131.9205 ]
ZXZ:  0.142451  2.078346 -0.902830   [DEG:    8.1619  119.0805  -51.7284 ]
 
# END of job
