
#######################################################
#                                                     #
#                        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       1.20     1.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.20     1.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80      51_C - 130_C       0.92     1.21
  LCS_AVERAGE:     53.28

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     37  121  121     38   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     37  121  121     19   87  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     37  121  121     15   80  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     37  121  121     29   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     37  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     37  121  121     29   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     37  121  121     29   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     37  121  121     41   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     37  121  121     14   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     37  121  121      6   76  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     37  121  121      7   76  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     37  121  121      5   33   82  113  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     37  121  121     11   89  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     37  121  121     23   88  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     37  121  121      0   57  105  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     37  121  121      7   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     37  121  121     37   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     37  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     37  121  121     38   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     37  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     37  121  121     29   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     37  121  121     16   86  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     37  121  121     14   85  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C      7  121  121      3    4   29   50   97  116  119  119  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C      3  121  121      3    4    4  106  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C      3  121  121      3    3   14   31   47   92  118  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     80  121  121     33   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     80  121  121     18   81  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     80  121  121     32   89  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     80  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     80  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     80  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     80  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     80  121  121     41   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     80  121  121     26   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     80  121  121     37   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     80  121  121     41   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     80  121  121      7   89  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     80  121  121     24   80  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     80  121  121     24   70  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     80  121  121     18   77  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     80  121  121      4   85  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     80  121  121     31   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     80  121  121      8   84  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     80  121  121      4   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     80  121  121     27   72  108  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     80  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     80  121  121     41   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     80  121  121     37   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     80  121  121     32   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     80  121  121      9   23  103  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     80  121  121     30   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     80  121  121     41   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     80  121  121     36   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     80  121  121     33   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     80  121  121     23   66  108  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     80  121  121      7   27   73  110  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     80  121  121      3   48  106  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     80  121  121     23   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     80  121  121     38   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     80  121  121     30   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     80  121  121      9   89  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     80  121  121     24   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     80  121  121     37   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     80  121  121     40   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     80  121  121     37   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     80  121  121     37   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     80  121  121     38   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     80  121  121     34   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     80  121  121     39   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     80  121  121     24   89  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     80  121  121     24   89  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     80  121  121     42   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     80  121  121     41   90  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     80  121  121     24   88  110  115  117  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     19  121  121      0    4   30   41   88  103  115  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  84.43  (  53.28  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     42     90    110    115    117    118    119    120    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  34.71  74.38  90.91  95.04  96.69  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
GDT RMS_LOCAL    0.36   0.61   0.79   0.87   0.93   0.96   1.03   1.14   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20
GDT RMS_ALL_AT   1.21   1.21   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20

# Checking swapping
#   possible swapping detected:  D    13_B      D    13_C
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    86_B      E    86_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  D   108_B      D   108_C
#   possible swapping detected:  D   119_B      D   119_C
#   possible swapping detected:  E   127_B      E   127_C
#   possible swapping detected:  D   130_B      D   130_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.722     0    0.148   1.122     5.197   90.595   69.048
LGA    T    12_B      T    12_C     1.095     0    0.040   1.190     3.213   83.690   77.007
LGA    D    13_B      D    13_C     1.357     0    0.040   1.203     3.406   81.429   75.357
LGA    K    14_B      K    14_C     0.814     0    0.063   1.154     8.253   95.238   64.074
LGA    L    15_B      L    15_C     0.479     0    0.035   1.425     3.165  100.000   83.810
LGA    W    16_B      W    16_C     0.743     0    0.053   1.646     5.514   92.857   70.578
LGA    Y    17_B      Y    17_C     0.604     0    0.075   1.289     9.379   95.238   54.802
LGA    I    18_B      I    18_C     0.236     0    0.027   0.070     0.645  100.000   97.619
LGA    L    19_B      L    19_C     0.352     0    0.017   0.230     0.768   97.619   97.619
LGA    Q    20_B      Q    20_C     0.538     0    0.049   1.265     3.522   95.238   80.582
LGA    E    21_B      E    21_C     0.443     0    0.057   0.681     3.049   97.619   90.265
LGA    L    22_B      L    22_C     0.562     0    0.030   1.402     3.739   92.857   78.393
LGA    T    23_B      T    23_C     0.298     0    0.095   1.029     2.644   95.238   86.122
LGA    S    24_B      S    24_C     0.531     0    0.098   0.692     2.953   92.857   86.508
LGA    N    25_B      N    25_C     1.071     0    0.122   0.230     1.404   83.690   82.560
LGA    R    26_B      R    26_C     1.711     0    0.050   1.629    11.596   75.000   42.424
LGA    G    27_B      G    27_C     1.779     0    0.680   0.680     3.345   67.262   67.262
LGA    D    28_B      D    28_C     2.225     0    0.200   1.004     6.625   72.976   49.226
LGA    I    29_B      I    29_C     1.022     0    0.078   0.685     3.162   83.690   80.893
LGA    Q    30_B      Q    30_C     1.227     0    0.615   1.026     5.017   72.024   62.328
LGA    G    31_B      G    31_C     1.666     0    0.187   0.187     1.666   81.667   81.667
LGA    C    32_B      C    32_C     0.253     0    0.128   0.227     1.280   92.976   93.730
LGA    T    33_B      T    33_C     0.536     0    0.070   1.118     2.859   92.857   85.782
LGA    I    34_B      I    34_C     0.432     0    0.096   0.654     2.987   95.238   88.690
LGA    V    35_B      V    35_C     0.222     0    0.050   1.069     2.423  100.000   89.932
LGA    T    36_B      T    36_C     0.211     0    0.156   0.237     1.961   90.833   85.646
LGA    T    37_B      T    37_C     1.220     0    0.064   0.112     2.259   85.952   79.184
LGA    Q    38_B      Q    38_C     0.577     0    0.397   0.975     2.344   84.048   77.037
LGA    G    39_B      G    39_C     0.675     0    0.102   0.102     0.675   97.619   97.619
LGA    L    40_B      L    40_C     0.555     0    0.173   1.090     4.097   95.238   77.679
LGA    P    41_B      P    41_C     0.366     0    0.088   0.122     0.516   97.619   98.639
LGA    I    42_B      I    42_C     0.683     0    0.130   1.253     3.244   97.619   83.452
LGA    T    43_B      T    43_C     0.571     0    0.055   1.348     3.491   92.857   83.469
LGA    S    44_B      S    44_C     0.373     0    0.106   0.822     2.078   90.833   86.429
LGA    L    45_B      L    45_C     0.688     0    0.194   0.328     0.848   90.476   91.667
LGA    L    46_B      L    46_C     1.231     0    0.092   1.158     6.536   83.690   60.179
LGA    A    47_B      A    47_C     1.397     0    0.584   0.613     3.574   70.000   67.429
LGA    D    48_B      D    48_C     4.259     0    0.688   1.205     9.829   40.833   23.988
LGA    D    49_B      D    49_C     2.593     0    0.647   0.913     5.632   67.024   50.179
LGA    A    50_B      A    50_C     4.388     0    0.306   0.394     6.285   56.190   48.381
LGA    N    51_B      N    51_C     1.197     0    0.581   0.812     6.152   79.286   55.536
LGA    V    52_B      V    52_C     1.594     0    0.054   0.182     2.237   77.143   75.374
LGA    S    53_B      S    53_C     1.177     0    0.042   0.064     1.286   85.952   84.444
LGA    L    54_B      L    54_C     0.986     0    0.050   0.111     1.143   90.476   85.952
LGA    I    55_B      I    55_C     0.669     0    0.034   0.077     0.893   90.476   90.476
LGA    S    56_B      S    56_C     0.763     0    0.046   0.090     0.861   90.476   90.476
LGA    A    57_B      A    57_C     0.901     0    0.040   0.039     1.160   90.476   88.667
LGA    M    58_B      M    58_C     0.823     0    0.034   0.837     4.082   90.476   76.786
LGA    S    59_B      S    59_C     0.371     0    0.022   0.690     2.391  100.000   94.127
LGA    A    60_B      A    60_C     0.350     0    0.009   0.009     0.441  100.000  100.000
LGA    A    61_B      A    61_C     0.637     0    0.021   0.023     0.805   90.476   90.476
LGA    I    62_B      I    62_C     0.603     0    0.015   0.074     0.807   90.476   90.476
LGA    I    63_B      I    63_C     0.194     0    0.015   0.189     0.663  100.000   97.619
LGA    S    64_B      S    64_C     0.608     0    0.060   0.116     0.693   90.476   90.476
LGA    V    65_B      V    65_C     0.829     0    0.037   0.092     1.515   90.476   85.374
LGA    A    66_B      A    66_C     0.424     0    0.043   0.039     0.600  100.000   98.095
LGA    E    67_B      E    67_C     0.378     0    0.033   1.126     4.892  100.000   78.783
LGA    S    68_B      S    68_C     0.788     0    0.050   0.721     2.031   90.476   84.683
LGA    A    69_B      A    69_C     0.636     0    0.024   0.022     0.919   95.238   94.286
LGA    S    70_B      S    70_C     0.821     0    0.021   0.599     2.571   88.214   83.413
LGA    Q    71_B      Q    71_C     1.126     0    0.042   0.623     4.173   88.214   65.873
LGA    E    72_B      E    72_C     0.812     0    0.062   0.916     5.140   90.476   68.571
LGA    L    73_B      L    73_C     1.183     0    0.319   0.468     3.286   79.524   68.452
LGA    Q    74_B      Q    74_C     1.550     0    0.248   1.574     7.938   67.262   47.884
LGA    R    75_B      R    75_C     1.696     0    0.651   1.348     7.901   69.286   51.126
LGA    G    76_B      G    76_C     1.338     0    0.126   0.126     1.607   81.548   81.548
LGA    Y    77_B      Y    77_C     1.397     0    0.098   0.206     5.318   79.286   53.571
LGA    L    78_B      L    78_C     0.985     0    0.137   1.352     5.209   79.524   66.488
LGA    Q    79_B      Q    79_C     0.078     0    0.049   0.923     4.833   95.238   73.228
LGA    R    80_B      R    80_C     1.186     0    0.081   1.177     4.492   81.429   65.844
LGA    I    81_B      I    81_C     0.679     0    0.048   0.657     2.036   92.857   87.321
LGA    L    82_B      L    82_C     0.473     0    0.063   0.755     1.893   95.238   88.452
LGA    L    83_B      L    83_C     0.347     0    0.096   0.783     2.945   97.619   86.667
LGA    E    84_B      E    84_C     0.623     0    0.133   0.706     2.804   95.238   78.624
LGA    G    85_B      G    85_C     0.470     0    0.080   0.080     2.230   88.810   88.810
LGA    E    86_B      E    86_C     0.215     0    0.701   0.987     3.785   91.190   74.444
LGA    L    87_B      L    87_C     2.117     0    0.157   0.265     4.374   68.810   56.250
LGA    G    88_B      G    88_C     0.500     0    0.119   0.119     0.500  100.000  100.000
LGA    T    89_B      T    89_C     0.456     0    0.040   0.070     0.795   95.238   95.918
LGA    I    90_B      I    90_C     0.399     0    0.049   0.083     1.506   95.238   89.524
LGA    I    91_B      I    91_C     0.318     0    0.034   0.135     0.701   97.619   94.048
LGA    I    92_B      I    92_C     0.476     0    0.120   0.129     1.331   92.976   92.917
LGA    S    93_B      S    93_C     0.278     0    0.055   0.573     1.827  100.000   95.476
LGA    K    94_B      K    94_C     0.423     0    0.082   0.645     2.062   92.976   82.857
LGA    A    95_B      A    95_C     0.521     0    0.459   0.425     1.784   88.452   88.857
LGA    G    96_B      G    96_C     0.789     0    0.071   0.071     1.305   85.952   85.952
LGA    P    97_B      P    97_C     0.589     0    0.152   0.429     1.403   88.214   87.891
LGA    H    98_B      H    98_C     2.154     0    0.180   1.177     5.241   70.952   56.476
LGA    A    99_B      A    99_C     1.047     0    0.043   0.051     1.476   85.952   85.048
LGA    I   100_B      I   100_C     0.304     0    0.091   1.530     4.102   97.619   80.298
LGA    L   101_B      L   101_C     0.493     0    0.064   1.011     2.859   97.619   87.679
LGA    V   102_B      V   102_C     0.539     0    0.103   0.206     1.338   97.619   93.265
LGA    S   103_B      S   103_C     0.375     0    0.046   0.071     1.140  100.000   95.317
LGA    L   104_B      L   104_C     0.514     0    0.158   0.172     1.168   92.857   90.536
LGA    V   105_B      V   105_C     0.796     0    0.041   1.208     2.738   90.476   82.041
LGA    D   106_B      D   106_C     0.963     0    0.084   0.169     4.795   81.786   63.750
LGA    K   107_B      K   107_C     2.058     0    0.185   0.779     3.948   67.500   58.730
LGA    D   108_B      D   108_C     2.954     0    0.219   0.343     4.570   61.071   49.167
LGA    A   109_B      A   109_C     1.688     0    0.093   0.097     2.167   68.810   68.000
LGA    K   110_B      K   110_C     0.846     0    0.074   1.478     9.349   90.595   59.577
LGA    L   111_B      L   111_C     0.697     0    0.045   1.386     2.920   92.857   81.131
LGA    G   112_B      G   112_C     0.724     0    0.052   0.052     0.858   90.476   90.476
LGA    I   113_B      I   113_C     1.049     0    0.062   0.077     2.216   85.952   80.536
LGA    I   114_B      I   114_C     1.019     0    0.053   0.135     1.467   85.952   83.690
LGA    L   115_B      L   115_C     0.787     0    0.051   0.064     0.890   90.476   90.476
LGA    M   116_B      M   116_C     0.714     0    0.040   1.178     4.176   90.476   74.583
LGA    L   117_B      L   117_C     0.770     0    0.017   0.130     0.958   90.476   90.476
LGA    I   118_B      I   118_C     0.684     0    0.045   0.083     0.904   92.857   91.667
LGA    D   119_B      D   119_C     0.759     0    0.061   0.154     1.540   90.476   83.810
LGA    K   120_B      K   120_C     0.469     0    0.039   0.274     1.536  100.000   92.751
LGA    A   121_B      A   121_C     0.472     0    0.042   0.043     0.518  100.000   98.095
LGA    I   122_B      I   122_C     0.723     0    0.072   1.258     3.544   90.476   81.250
LGA    K   123_B      K   123_C     0.579     0    0.054   0.986     5.773   92.857   76.984
LGA    Q   124_B      Q   124_C     0.166     0    0.055   0.775     2.373  100.000   94.021
LGA    I   125_B      I   125_C     0.208     0    0.049   0.147     0.628  100.000   98.810
LGA    A   126_B      A   126_C     0.814     0    0.076   0.070     0.945   90.476   90.476
LGA    E   127_B      E   127_C     0.911     0    0.058   0.095     1.341   90.476   88.466
LGA    L   128_B      L   128_C     0.356     0    0.080   1.074     4.166   97.619   79.464
LGA    M   129_B      M   129_C     0.469     0    0.149   0.842     2.806   92.976   87.560
LGA    D   130_B      D   130_C     1.102     0    0.616   0.898     2.770   83.810   79.643
LGA    A   131_B      A   131_C     5.039     0    0.146   0.202     7.049   23.452   20.762

# 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):     1.195          1.229                  2.277           88.037   79.540

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    120    1.14    92.149    96.444     9.701

LGA_LOCAL      RMSD:   1.137  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.197  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.195  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.929682 * X  +  -0.300489 * Y  +   0.213067 * Z  +   9.260163
  Y_new =  -0.176296 * X  +   0.144914 * Y  +   0.973612 * Z  + -50.442810
  Z_new =  -0.323436 * X  +  -0.942712 * Y  +   0.081749 * Z  +  48.307980 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.187405  0.329358 -1.484296   [DEG:  -10.7375   18.8708  -85.0439 ]
ZXZ:  2.926148  1.488956 -2.811087   [DEG:  167.6559   85.3109 -161.0634 ]
 
# END of job
