
#######################################################
#                                                     #
#                        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     17  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     72  110  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     24  110  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     70  110  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  110  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    6   69  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     27  110  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      6   84  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     66  110  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     66  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     73  110  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     74  110  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     74  110  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     66  110  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     74  110  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     73  110  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     74  110  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     74  110  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     74  110  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     74  110  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     68  110  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     74  110  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      8  101  114  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     66  110  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     66  110  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     74  110  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     72  110  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     69  110  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     68  110  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     60  110  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     65  110  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     74  110  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     65  110  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     60  110  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     71  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     69  110  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     69  110  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     12  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     74  110  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     69  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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      9  110  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      9  110  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   95  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      9   95  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     15  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     73  110  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     24  110  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     50  110  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     36   98  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     34   92  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     36  108  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     37  109  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     71  110  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  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     74  110  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     71  110  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     74  110  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  110  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     65  110  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   48  117  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     74    110    118    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  61.16  90.91  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   0.63   0.67   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   0.77   0.76   0.75   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

# Checking swapping
#   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     0.819     0    0.213   1.519     5.406   90.476   67.095
LGA    T    12_B      T    12_C     0.350     0    0.032   1.144     2.722  100.000   87.755
LGA    D    13_B      D    13_C     0.089     0    0.047   1.178     4.317  100.000   83.333
LGA    K    14_B      K    14_C     0.165     0    0.021   0.576     3.433  100.000   88.413
LGA    L    15_B      L    15_C     0.263     0    0.025   0.111     0.491  100.000  100.000
LGA    W    16_B      W    16_C     0.362     0    0.064   0.158     1.184  100.000   92.585
LGA    Y    17_B      Y    17_C     0.345     0    0.030   0.204     1.515  100.000   91.508
LGA    I    18_B      I    18_C     0.394     0    0.017   0.061     0.448  100.000  100.000
LGA    L    19_B      L    19_C     0.414     0    0.036   0.042     0.545  100.000   97.619
LGA    Q    20_B      Q    20_C     0.479     0    0.054   1.397     4.256  100.000   78.519
LGA    E    21_B      E    21_C     0.535     0    0.011   1.046     5.287   92.857   70.952
LGA    L    22_B      L    22_C     0.738     0    0.025   1.374     3.131   90.476   81.071
LGA    T    23_B      T    23_C     0.729     0    0.020   0.097     0.868   90.476   90.476
LGA    S    24_B      S    24_C     0.500     0    0.021   0.114     0.701   95.238   93.651
LGA    N    25_B      N    25_C     0.792     0    0.521   0.634     3.526   84.048   72.143
LGA    R    26_B      R    26_C     2.556     0    0.660   1.141     4.290   55.952   58.052
LGA    G    27_B      G    27_C     0.945     0    0.095   0.095     0.974   90.476   90.476
LGA    D    28_B      D    28_C     1.403     0    0.122   1.102     2.514   85.952   77.500
LGA    I    29_B      I    29_C     0.577     0    0.062   0.084     1.161   90.476   89.345
LGA    Q    30_B      Q    30_C     0.649     0    0.055   0.154     1.670   95.238   86.667
LGA    G    31_B      G    31_C     0.289     0    0.036   0.036     0.408  100.000  100.000
LGA    C    32_B      C    32_C     0.230     0    0.027   0.043     0.395  100.000  100.000
LGA    T    33_B      T    33_C     0.251     0    0.032   0.130     0.505  100.000   98.639
LGA    I    34_B      I    34_C     0.252     0    0.006   0.036     0.285  100.000  100.000
LGA    V    35_B      V    35_C     0.243     0    0.024   1.106     2.488  100.000   89.728
LGA    T    36_B      T    36_C     0.288     0    0.036   0.062     0.548  100.000   98.639
LGA    T    37_B      T    37_C     0.469     0    0.027   0.086     1.126   97.619   91.973
LGA    Q    38_B      Q    38_C     0.455     0    0.064   1.060     4.615   97.619   83.228
LGA    G    39_B      G    39_C     0.454     0    0.040   0.040     0.858   95.238   95.238
LGA    L    40_B      L    40_C     0.855     0    0.027   0.062     1.869   92.857   83.929
LGA    P    41_B      P    41_C     0.544     0    0.018   0.045     1.063   95.238   91.905
LGA    I    42_B      I    42_C     0.487     0    0.042   0.067     0.530   95.238   97.619
LGA    T    43_B      T    43_C     0.416     0    0.040   0.069     0.580  100.000   98.639
LGA    S    44_B      S    44_C     0.250     0    0.038   0.598     2.281   97.619   92.540
LGA    L    45_B      L    45_C     0.425     0    0.066   0.968     2.355  100.000   91.012
LGA    L    46_B      L    46_C     0.613     0    0.019   0.077     0.893   90.476   90.476
LGA    A    47_B      A    47_C     0.821     0    0.018   0.028     1.099   90.476   88.667
LGA    D    48_B      D    48_C     0.373     0    0.036   0.088     1.183   90.595   92.917
LGA    D    49_B      D    49_C     1.694     0    0.105   0.820     2.492   79.286   77.321
LGA    A    50_B      A    50_C     1.008     0    0.118   0.134     1.223   81.429   83.238
LGA    N    51_B      N    51_C     1.050     0    0.088   0.138     1.687   83.690   81.488
LGA    V    52_B      V    52_C     0.610     0    0.030   0.056     0.780   90.476   90.476
LGA    S    53_B      S    53_C     0.729     0    0.014   0.652     2.942   90.476   84.921
LGA    L    54_B      L    54_C     0.892     0    0.039   0.107     1.072   88.214   88.214
LGA    I    55_B      I    55_C     0.889     0    0.023   0.029     0.889   90.476   90.476
LGA    S    56_B      S    56_C     0.941     0    0.020   0.034     0.980   90.476   90.476
LGA    A    57_B      A    57_C     0.886     0    0.014   0.022     0.943   90.476   90.476
LGA    M    58_B      M    58_C     0.610     0    0.026   0.874     3.340   90.476   81.250
LGA    S    59_B      S    59_C     0.915     0    0.016   0.022     1.040   90.476   88.968
LGA    A    60_B      A    60_C     0.946     0    0.029   0.037     0.946   90.476   90.476
LGA    A    61_B      A    61_C     0.775     0    0.013   0.018     0.900   90.476   90.476
LGA    I    62_B      I    62_C     0.640     0    0.027   0.152     0.994   95.238   92.857
LGA    I    63_B      I    63_C     0.447     0    0.025   0.577     1.801  100.000   95.417
LGA    S    64_B      S    64_C     0.494     0    0.030   0.720     2.591   95.238   89.683
LGA    V    65_B      V    65_C     0.206     0    0.015   0.069     0.373  100.000  100.000
LGA    A    66_B      A    66_C     0.264     0    0.018   0.025     0.424  100.000  100.000
LGA    E    67_B      E    67_C     0.323     0    0.025   1.206     4.738  100.000   81.587
LGA    S    68_B      S    68_C     0.243     0    0.043   0.752     2.127  100.000   94.127
LGA    A    69_B      A    69_C     0.197     0    0.011   0.015     0.311  100.000  100.000
LGA    S    70_B      S    70_C     0.212     0    0.012   0.075     0.393  100.000  100.000
LGA    Q    71_B      Q    71_C     0.323     0    0.043   0.635     2.780  100.000   80.952
LGA    E    72_B      E    72_C     0.336     0    0.044   0.140     0.557  100.000   98.942
LGA    L    73_B      L    73_C     0.152     0    0.053   0.227     0.818  100.000   98.810
LGA    Q    74_B      Q    74_C     0.305     0    0.093   0.107     2.117  100.000   87.937
LGA    R    75_B      R    75_C     0.560     0    0.145   1.266     2.479   92.857   82.641
LGA    G    76_B      G    76_C     0.620     0    0.082   0.082     0.644   92.857   92.857
LGA    Y    77_B      Y    77_C     1.248     0    0.076   1.290     8.914   85.952   50.040
LGA    L    78_B      L    78_C     0.366     0    0.140   0.218     0.784   95.238   95.238
LGA    Q    79_B      Q    79_C     0.549     0    0.050   0.263     1.962   97.619   87.725
LGA    R    80_B      R    80_C     0.533     0    0.077   0.970     3.715   92.857   83.853
LGA    I    81_B      I    81_C     0.491     0    0.016   0.694     2.945   97.619   92.262
LGA    L    82_B      L    82_C     0.280     0    0.019   0.157     1.186  100.000   95.298
LGA    L    83_B      L    83_C     0.206     0    0.058   0.671     1.740  100.000   93.214
LGA    E    84_B      E    84_C     0.166     0    0.056   0.325     1.891   97.619   90.688
LGA    G    85_B      G    85_C     0.834     0    0.038   0.038     0.834   90.476   90.476
LGA    E    86_B      E    86_C     0.911     0    0.072   0.792     3.656   85.952   71.958
LGA    L    87_B      L    87_C     1.479     0    0.062   0.065     2.224   79.286   75.060
LGA    G    88_B      G    88_C     1.502     0    0.028   0.028     1.502   81.548   81.548
LGA    T    89_B      T    89_C     0.823     0    0.059   0.132     1.148   85.952   86.599
LGA    I    90_B      I    90_C     0.190     0    0.007   0.054     0.299  100.000  100.000
LGA    I    91_B      I    91_C     0.075     0    0.048   0.075     0.628  100.000   98.810
LGA    I    92_B      I    92_C     0.386     0    0.019   0.042     0.465  100.000  100.000
LGA    S    93_B      S    93_C     0.346     0    0.025   0.149     0.623  100.000   98.413
LGA    K    94_B      K    94_C     0.175     0    0.027   0.370     2.098  100.000   92.963
LGA    A    95_B      A    95_C     0.215     0    0.015   0.035     0.316  100.000  100.000
LGA    G    96_B      G    96_C     0.348     0    0.067   0.067     0.558   97.619   97.619
LGA    P    97_B      P    97_C     0.324     0    0.057   0.065     0.508   97.619   98.639
LGA    H    98_B      H    98_C     0.491     0    0.078   1.152     3.287   97.619   86.000
LGA    A    99_B      A    99_C     0.068     0    0.040   0.046     0.296  100.000  100.000
LGA    I   100_B      I   100_C     0.278     0    0.047   1.187     2.767  100.000   85.655
LGA    L   101_B      L   101_C     0.104     0    0.012   0.066     0.246  100.000  100.000
LGA    V   102_B      V   102_C     0.165     0    0.028   0.049     0.291  100.000  100.000
LGA    S   103_B      S   103_C     0.067     0    0.032   0.053     0.145  100.000  100.000
LGA    L   104_B      L   104_C     0.360     0    0.016   0.101     0.870   97.619   94.048
LGA    V   105_B      V   105_C     0.766     0    0.091   1.171     2.541   90.476   82.041
LGA    D   106_B      D   106_C     0.854     0    0.017   0.900     2.724   85.952   79.702
LGA    K   107_B      K   107_C     1.412     0    0.017   0.781     3.761   79.286   72.540
LGA    D   108_B      D   108_C     1.529     0    0.051   0.136     1.973   79.286   76.071
LGA    A   109_B      A   109_C     1.159     0    0.103   0.124     1.277   85.952   85.048
LGA    K   110_B      K   110_C     1.036     0    0.109   1.441     7.460   83.690   63.915
LGA    L   111_B      L   111_C     0.517     0    0.074   1.348     3.416   95.238   82.381
LGA    G   112_B      G   112_C     0.547     0    0.064   0.064     0.716   90.476   90.476
LGA    I   113_B      I   113_C     0.378     0    0.011   0.060     0.524  100.000   98.810
LGA    I   114_B      I   114_C     0.516     0    0.042   0.646     1.802   97.619   91.905
LGA    L   115_B      L   115_C     0.488     0    0.071   0.104     0.883  100.000   95.238
LGA    M   116_B      M   116_C     0.230     0    0.051   1.134     4.271  100.000   86.786
LGA    L   117_B      L   117_C     0.372     0    0.058   0.132     0.474  100.000  100.000
LGA    I   118_B      I   118_C     0.366     0    0.070   0.091     0.456  100.000  100.000
LGA    D   119_B      D   119_C     0.292     0    0.067   0.338     1.072   97.619   95.298
LGA    K   120_B      K   120_C     0.250     0    0.037   0.452     1.746  100.000   94.868
LGA    A   121_B      A   121_C     0.203     0    0.044   0.050     0.250  100.000  100.000
LGA    I   122_B      I   122_C     0.337     0    0.032   0.061     0.547   97.619   98.810
LGA    K   123_B      K   123_C     0.387     0    0.041   0.964     4.621   97.619   83.333
LGA    Q   124_B      Q   124_C     0.291     0    0.016   0.861     2.204  100.000   93.069
LGA    I   125_B      I   125_C     0.295     0    0.022   0.025     0.430  100.000  100.000
LGA    A   126_B      A   126_C     0.426     0    0.043   0.050     0.655   95.238   96.190
LGA    E   127_B      E   127_C     0.539     0    0.041   0.076     1.035   95.238   91.587
LGA    L   128_B      L   128_C     0.421     0    0.053   1.070     2.302   95.238   88.810
LGA    M   129_B      M   129_C     0.606     0    0.030   0.073     0.808   92.857   91.667
LGA    D   130_B      D   130_C     0.750     0    0.633   0.909     4.516   88.452   73.571
LGA    A   131_B      A   131_C     3.493     0    0.505   0.522     5.567   40.000   36.286

# 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):     0.741          0.785                  1.375           94.183   89.263

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.74    97.314    98.927    14.380

LGA_LOCAL      RMSD:   0.741  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.741  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.741  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.845839 * X  +  -0.286123 * Y  +   0.450211 * Z  +  20.652281
  Y_new =  -0.124350 * X  +  -0.714968 * Y  +  -0.688010 * Z  +  -6.401496
  Z_new =   0.518742 * X  +  -0.637929 * Y  +   0.569168 * Z  +  23.161985 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.995624 -0.545379 -0.842300   [DEG: -171.6366  -31.2479  -48.2603 ]
ZXZ:  0.579440  0.965302  2.458875   [DEG:   33.1994   55.3077  140.8832 ]
 
# END of job
