
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.74     0.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.74     0.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.74     0.74
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C    121  121  121     20  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     63  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     72  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      3    3    4   96  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     31  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121     18   85  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     64  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     59  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     37   99  117  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     65  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     59  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     64  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     59  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     59  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     72  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     11  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121     31  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121     31  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121      9   99  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121     16   99  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     25  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     25  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     60  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121      6   99  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121     21   99  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     15  105  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     48  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     68  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     70  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     73  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     71  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     64  111  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      0    3    4   39  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     73    111    118    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  60.33  91.74  97.52  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.51   0.61   0.62   0.66   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74
GDT RMS_ALL_AT   0.76   0.75   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74

# Checking swapping
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.809     0    0.165   1.452     5.158   90.476   67.619
LGA    T    12_B      T    12_C     0.274     0    0.011   1.170     2.680  100.000   87.755
LGA    D    13_B      D    13_C     0.095     0    0.009   1.167     4.249  100.000   83.333
LGA    K    14_B      K    14_C     0.131     0    0.007   0.617     3.473  100.000   88.413
LGA    L    15_B      L    15_C     0.327     0    0.031   0.121     0.601  100.000   97.619
LGA    W    16_B      W    16_C     0.346     0    0.046   0.066     1.003  100.000   92.551
LGA    Y    17_B      Y    17_C     0.289     0    0.010   0.237     1.566  100.000   90.794
LGA    I    18_B      I    18_C     0.363     0    0.008   0.059     0.485  100.000  100.000
LGA    L    19_B      L    19_C     0.380     0    0.019   0.037     0.497  100.000  100.000
LGA    Q    20_B      Q    20_C     0.418     0    0.038   1.486     4.958  100.000   77.302
LGA    E    21_B      E    21_C     0.524     0    0.020   1.111     4.206   92.857   72.169
LGA    L    22_B      L    22_C     0.714     0    0.068   1.369     3.105   90.476   81.071
LGA    T    23_B      T    23_C     0.624     0    0.063   0.114     0.792   90.476   90.476
LGA    S    24_B      S    24_C     0.479     0    0.018   0.082     0.656   92.857   92.063
LGA    N    25_B      N    25_C     0.787     0    0.575   0.638     3.459   84.048   72.976
LGA    R    26_B      R    26_C     2.522     0    0.621   1.023     4.028   55.952   55.065
LGA    G    27_B      G    27_C     0.911     0    0.146   0.146     0.911   90.476   90.476
LGA    D    28_B      D    28_C     1.349     0    0.137   1.163     2.453   85.952   78.452
LGA    I    29_B      I    29_C     0.601     0    0.047   0.064     1.157   90.476   89.345
LGA    Q    30_B      Q    30_C     0.607     0    0.060   0.207     1.968   97.619   87.725
LGA    G    31_B      G    31_C     0.168     0    0.053   0.053     0.337  100.000  100.000
LGA    C    32_B      C    32_C     0.224     0    0.008   0.131     0.622  100.000   98.413
LGA    T    33_B      T    33_C     0.243     0    0.032   0.145     0.550  100.000   98.639
LGA    I    34_B      I    34_C     0.298     0    0.022   0.020     0.298  100.000  100.000
LGA    V    35_B      V    35_C     0.244     0    0.045   1.084     2.419  100.000   89.728
LGA    T    36_B      T    36_C     0.340     0    0.010   0.045     0.523  100.000   98.639
LGA    T    37_B      T    37_C     0.507     0    0.014   0.047     0.986   97.619   94.558
LGA    Q    38_B      Q    38_C     0.489     0    0.072   1.041     4.565   97.619   84.127
LGA    G    39_B      G    39_C     0.512     0    0.038   0.038     0.860   92.857   92.857
LGA    L    40_B      L    40_C     0.841     0    0.031   0.044     1.885   92.857   83.929
LGA    P    41_B      P    41_C     0.561     0    0.024   0.049     1.100   95.238   90.612
LGA    I    42_B      I    42_C     0.494     0    0.040   0.048     0.533   95.238   96.429
LGA    T    43_B      T    43_C     0.433     0    0.042   0.103     0.583  100.000   98.639
LGA    S    44_B      S    44_C     0.213     0    0.010   0.577     2.426   97.619   92.540
LGA    L    45_B      L    45_C     0.457     0    0.091   0.938     2.243   97.619   88.631
LGA    L    46_B      L    46_C     0.595     0    0.017   0.061     0.805   90.476   91.667
LGA    A    47_B      A    47_C     0.845     0    0.018   0.024     1.129   90.476   88.667
LGA    D    48_B      D    48_C     0.290     0    0.059   0.122     1.100   90.595   92.917
LGA    D    49_B      D    49_C     1.638     0    0.149   0.835     2.501   79.286   76.369
LGA    A    50_B      A    50_C     1.024     0    0.030   0.038     1.134   83.690   85.048
LGA    N    51_B      N    51_C     1.019     0    0.056   0.145     1.693   83.690   81.488
LGA    V    52_B      V    52_C     0.642     0    0.040   0.155     0.966   90.476   90.476
LGA    S    53_B      S    53_C     0.671     0    0.004   0.662     2.932   90.476   84.921
LGA    L    54_B      L    54_C     0.914     0    0.023   0.090     1.074   88.214   89.345
LGA    I    55_B      I    55_C     0.926     0    0.021   0.059     0.927   90.476   90.476
LGA    S    56_B      S    56_C     0.943     0    0.007   0.039     0.983   90.476   90.476
LGA    A    57_B      A    57_C     0.791     0    0.000   0.003     0.828   90.476   90.476
LGA    M    58_B      M    58_C     0.593     0    0.012   0.890     3.299   90.476   80.357
LGA    S    59_B      S    59_C     0.957     0    0.009   0.016     1.084   90.476   87.460
LGA    A    60_B      A    60_C     0.921     0    0.016   0.015     0.958   90.476   90.476
LGA    A    61_B      A    61_C     0.706     0    0.008   0.010     0.809   90.476   90.476
LGA    I    62_B      I    62_C     0.672     0    0.019   0.133     0.788   90.476   90.476
LGA    I    63_B      I    63_C     0.428     0    0.028   0.593     2.210   97.619   94.405
LGA    S    64_B      S    64_C     0.316     0    0.017   0.732     2.525  100.000   92.857
LGA    V    65_B      V    65_C     0.209     0    0.022   0.059     0.303  100.000  100.000
LGA    A    66_B      A    66_C     0.316     0    0.028   0.030     0.516  100.000   98.095
LGA    E    67_B      E    67_C     0.274     0    0.029   1.185     4.738  100.000   80.688
LGA    S    68_B      S    68_C     0.220     0    0.004   0.704     2.002  100.000   94.127
LGA    A    69_B      A    69_C     0.185     0    0.009   0.008     0.372  100.000  100.000
LGA    S    70_B      S    70_C     0.177     0    0.017   0.047     0.369  100.000  100.000
LGA    Q    71_B      Q    71_C     0.299     0    0.005   0.682     2.914  100.000   81.799
LGA    E    72_B      E    72_C     0.276     0    0.009   0.082     0.524  100.000   98.942
LGA    L    73_B      L    73_C     0.109     0    0.031   0.221     0.687  100.000   98.810
LGA    Q    74_B      Q    74_C     0.362     0    0.115   0.135     2.195  100.000   87.884
LGA    R    75_B      R    75_C     0.518     0    0.101   1.238     2.590   92.857   81.948
LGA    G    76_B      G    76_C     0.680     0    0.054   0.054     0.695   95.238   95.238
LGA    Y    77_B      Y    77_C     1.292     0    0.038   1.292     8.985   85.952   49.762
LGA    L    78_B      L    78_C     0.386     0    0.110   0.190     0.707   92.857   94.048
LGA    Q    79_B      Q    79_C     0.553     0    0.046   0.227     1.852   97.619   87.725
LGA    R    80_B      R    80_C     0.513     0    0.076   0.977     3.410   92.857   84.372
LGA    I    81_B      I    81_C     0.466     0    0.035   0.679     2.869   97.619   92.262
LGA    L    82_B      L    82_C     0.301     0    0.021   0.142     1.248  100.000   94.107
LGA    L    83_B      L    83_C     0.199     0    0.043   0.645     1.706  100.000   93.214
LGA    E    84_B      E    84_C     0.251     0    0.083   0.353     1.868   92.976   88.624
LGA    G    85_B      G    85_C     0.864     0    0.026   0.026     0.864   90.476   90.476
LGA    E    86_B      E    86_C     0.925     0    0.084   0.800     3.658   85.952   71.958
LGA    L    87_B      L    87_C     1.443     0    0.071   0.062     2.244   79.286   75.060
LGA    G    88_B      G    88_C     1.414     0    0.051   0.051     1.414   83.690   83.690
LGA    T    89_B      T    89_C     0.771     0    0.021   0.106     1.065   88.214   89.184
LGA    I    90_B      I    90_C     0.230     0    0.024   0.028     0.303  100.000  100.000
LGA    I    91_B      I    91_C     0.118     0    0.038   0.080     0.567  100.000   98.810
LGA    I    92_B      I    92_C     0.333     0    0.023   0.030     0.394  100.000  100.000
LGA    S    93_B      S    93_C     0.382     0    0.023   0.139     0.552  100.000   98.413
LGA    K    94_B      K    94_C     0.215     0    0.019   0.364     1.799  100.000   94.921
LGA    A    95_B      A    95_C     0.229     0    0.035   0.039     0.257  100.000  100.000
LGA    G    96_B      G    96_C     0.426     0    0.043   0.043     0.494  100.000  100.000
LGA    P    97_B      P    97_C     0.354     0    0.059   0.105     0.557   97.619   98.639
LGA    H    98_B      H    98_C     0.591     0    0.031   1.143     3.269   95.238   85.048
LGA    A    99_B      A    99_C     0.148     0    0.020   0.027     0.283  100.000  100.000
LGA    I   100_B      I   100_C     0.350     0    0.031   1.212     2.714  100.000   84.643
LGA    L   101_B      L   101_C     0.161     0    0.022   0.036     0.246  100.000  100.000
LGA    V   102_B      V   102_C     0.177     0    0.043   0.066     0.280  100.000  100.000
LGA    S   103_B      S   103_C     0.107     0    0.050   0.067     0.180  100.000  100.000
LGA    L   104_B      L   104_C     0.431     0    0.056   0.110     0.937   95.238   92.857
LGA    V   105_B      V   105_C     0.752     0    0.075   1.193     2.621   90.476   82.041
LGA    D   106_B      D   106_C     0.817     0    0.026   0.914     2.763   85.952   79.702
LGA    K   107_B      K   107_C     1.462     0    0.024   0.786     4.049   77.143   70.899
LGA    D   108_B      D   108_C     1.481     0    0.033   0.085     1.985   81.429   77.143
LGA    A   109_B      A   109_C     1.200     0    0.037   0.051     1.220   83.690   83.238
LGA    K   110_B      K   110_C     0.974     0    0.052   1.456     7.315   85.952   65.714
LGA    L   111_B      L   111_C     0.607     0    0.044   1.344     3.366   92.857   81.190
LGA    G   112_B      G   112_C     0.499     0    0.023   0.023     0.549   95.238   95.238
LGA    I   113_B      I   113_C     0.401     0    0.007   0.069     0.433  100.000  100.000
LGA    I   114_B      I   114_C     0.549     0    0.027   0.657     1.843   95.238   90.655
LGA    L   115_B      L   115_C     0.393     0    0.018   0.033     0.737  100.000   96.429
LGA    M   116_B      M   116_C     0.247     0    0.023   1.143     4.301  100.000   86.786
LGA    L   117_B      L   117_C     0.395     0    0.030   0.120     0.484  100.000  100.000
LGA    I   118_B      I   118_C     0.292     0    0.030   0.033     0.507  100.000   98.810
LGA    D   119_B      D   119_C     0.298     0    0.041   0.085     0.495  100.000  100.000
LGA    K   120_B      K   120_C     0.358     0    0.019   0.263     0.803  100.000   95.767
LGA    A   121_B      A   121_C     0.226     0    0.021   0.021     0.277  100.000  100.000
LGA    I   122_B      I   122_C     0.249     0    0.033   0.055     0.410  100.000  100.000
LGA    K   123_B      K   123_C     0.395     0    0.010   0.965     4.767  100.000   84.550
LGA    Q   124_B      Q   124_C     0.313     0    0.004   0.680     1.923  100.000   94.921
LGA    I   125_B      I   125_C     0.191     0    0.003   0.020     0.322  100.000  100.000
LGA    A   126_B      A   126_C     0.405     0    0.001   0.007     0.622   95.238   96.190
LGA    E   127_B      E   127_C     0.647     0    0.007   0.120     1.152   90.476   89.471
LGA    L   128_B      L   128_C     0.404     0    0.023   1.051     2.308  100.000   91.190
LGA    M   129_B      M   129_C     0.529     0    0.044   0.069     0.858   92.857   91.667
LGA    D   130_B      D   130_C     0.739     0    0.643   0.861     4.299   88.452   74.286
LGA    A   131_B      A   131_C     3.578     0    0.483   0.496     5.613   39.524   35.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     0.738          0.774                  1.368           94.176   89.330

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.74    97.521    98.992    14.440

LGA_LOCAL      RMSD:   0.738  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.738  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.738  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.845903 * X  +  -0.286394 * Y  +   0.449919 * Z  +  20.655731
  Y_new =  -0.124220 * X  +  -0.714595 * Y  +  -0.688421 * Z  +  -6.395933
  Z_new =   0.518670 * X  +  -0.638226 * Y  +   0.568902 * Z  +  23.163467 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.995785 -0.545294 -0.842764   [DEG: -171.6459  -31.2431  -48.2868 ]
ZXZ:  0.578868  0.965627  2.459172   [DEG:   33.1667   55.3263  140.9001 ]
 
# END of job
