
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      30_A - 129_A       0.99     1.27
  LCS_AVERAGE:     72.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A      9  125  125      3    6    8   11   25   98  119  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     55  125  125      5   18   43   74   97  121  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     57  125  125      5   72  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     57  125  125     21   52  102  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     57  125  125      6   79  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     57  125  125     17   81  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     57  125  125     23   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     57  125  125      5   38   91  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     57  125  125     21   59  109  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     57  125  125     21   81  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     57  125  125     22   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     57  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     57  125  125     26   76  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     57  125  125     26   76  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     57  125  125      9   59  110  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    100  125  125     18   71  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    100  125  125      8   73  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    100  125  125     38   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    100  125  125     18   74  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    100  125  125     18   48  100  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    100  125  125      9   67  109  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    100  125  125     18   73  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    100  125  125     34   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    100  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    100  125  125     21   72  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    100  125  125     21   79  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    100  125  125     21   75  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    100  125  125     28   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    100  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    100  125  125     26   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    100  125  125     16   43  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    100  125  125     16   40   90  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    100  125  125     21   66  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    100  125  125      4   27   33  108  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    100  125  125      4    5    9   47   86  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    100  125  125      4   27   48   77  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    100  125  125     21   49  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    100  125  125     29   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    100  125  125     13   84  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    100  125  125     25   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    100  125  125     37   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    100  125  125     21   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    100  125  125     12   73  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    100  125  125     18   77  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    100  125  125     18   66  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    100  125  125     18   66  109  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    100  125  125      4    5  107  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    100  125  125     18   73  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    100  125  125     23   77  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    100  125  125     32   77  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    100  125  125     38   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    100  125  125     42   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    100  125  125     38   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    100  125  125     41   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    100  125  125     41   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    100  125  125     37   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    100  125  125     25   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    100  125  125     35   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    100  125  125     35   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    100  125  125     14   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    100  125  125     14   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    100  125  125      4   71  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    100  125  125     25   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    100  125  125     32   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    100  125  125     32   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    100  125  125     43   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    100  125  125     41   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    100  125  125     41   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    100  125  125     41   85  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    100  125  125     29   80  111  118  121  122  124  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  90.93  (  72.80  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     43     85    111    118    121    122    124    124    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  34.40  68.00  88.80  94.40  96.80  97.60  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.64   0.86   0.95   1.02   1.04   1.14   1.14   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23
GDT RMS_ALL_AT   1.32   1.27   1.25   1.25   1.25   1.25   1.24   1.24   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23

# Checking swapping
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     5.489     0    0.242   1.458     7.620   20.714   17.738
LGA    K     6_A      K     6_A     4.057     0    0.081   0.846     8.522   55.119   33.228
LGA    C     7_A      C     7_A     1.421     0    0.048   0.182     3.363   65.357   62.698
LGA    T     8_A      T     8_A     2.277     0    0.011   0.038     5.003   72.976   56.122
LGA    F     9_A      F     9_A     1.251     0    0.008   0.102     5.756   75.119   48.788
LGA    S    10_A      S    10_A     1.261     0    0.035   0.600     2.714   81.548   73.413
LGA    A    11_A      A    11_A     0.926     0    0.114   0.121     1.496   85.952   86.857
LGA    P    12_A      P    12_A     2.382     0    0.684   0.622     4.340   59.881   62.177
LGA    S    13_A      S    13_A     1.618     0    0.033   0.650     3.729   77.143   70.794
LGA    H    14_A      H    14_A     0.867     0    0.044   0.196     1.179   88.214   93.381
LGA    S    15_A      S    15_A     0.973     0    0.031   0.655     1.541   85.952   83.016
LGA    T    16_A      T    16_A     1.265     0    0.025   0.033     1.682   81.429   77.755
LGA    S    17_A      S    17_A     0.917     0    0.044   0.046     1.038   88.214   88.968
LGA    L    18_A      L    18_A     0.748     0    0.014   1.372     2.831   90.476   81.012
LGA    L    19_A      L    19_A     1.080     0    0.031   1.384     3.196   83.690   76.548
LGA    Q    20_A      Q    20_A     1.163     0    0.015   0.739     2.532   81.429   79.735
LGA    G    21_A      G    21_A     0.916     0    0.081   0.081     0.991   90.476   90.476
LGA    L    22_A      L    22_A     0.864     0    0.013   0.092     1.034   90.476   89.345
LGA    A    23_A      A    23_A     0.949     0    0.011   0.017     1.028   85.952   85.048
LGA    T    24_A      T    24_A     1.126     0    0.088   1.145     3.725   81.429   74.762
LGA    L    25_A      L    25_A     0.956     0    0.029   0.135     1.204   85.952   91.786
LGA    R    26_A      R    26_A     0.918     0    0.065   1.161     4.948   85.952   72.814
LGA    A    27_A      A    27_A     1.397     0    0.029   0.039     1.746   77.143   78.000
LGA    Q    28_A      Q    28_A     1.431     0    0.027   0.963     3.220   79.286   80.053
LGA    G    29_A      G    29_A     1.745     0    0.006   0.006     1.801   72.857   72.857
LGA    Q    30_A      Q    30_A     1.454     0    0.638   0.822     3.798   69.762   65.820
LGA    L    31_A      L    31_A     1.299     0    0.013   0.183     3.119   85.952   73.571
LGA    L    32_A      L    32_A     0.388     0    0.020   0.235     0.960   97.619   95.238
LGA    D    33_A      D    33_A     0.174     0    0.034   0.301     0.904  100.000   98.810
LGA    V    34_A      V    34_A     0.160     0    0.017   0.064     0.444  100.000  100.000
LGA    V    35_A      V    35_A     0.349     0    0.049   0.055     0.717   95.238   95.918
LGA    L    36_A      L    36_A     0.815     0    0.037   0.154     1.151   90.476   87.083
LGA    T    37_A      T    37_A     0.819     0    0.072   1.127     2.754   88.214   79.660
LGA    I    38_A      I    38_A     1.339     0    0.052   0.105     1.653   77.143   79.286
LGA    N    39_A      N    39_A     2.225     0    0.012   0.132     2.760   66.786   62.917
LGA    R    40_A      R    40_A     1.834     0    0.015   1.281     5.065   72.857   62.208
LGA    E    41_A      E    41_A     1.416     0    0.028   0.065     1.898   79.286   75.714
LGA    A    42_A      A    42_A     0.740     0    0.017   0.030     0.934   90.476   92.381
LGA    F    43_A      F    43_A     0.822     0    0.067   0.100     0.994   90.476   90.476
LGA    P    44_A      P    44_A     0.454     0    0.045   0.357     1.442   97.619   94.626
LGA    A    45_A      A    45_A     0.324     0    0.070   0.090     0.529  100.000   98.095
LGA    H    46_A      H    46_A     0.161     0    0.020   1.293     5.518  100.000   69.286
LGA    K    47_A      K    47_A     0.140     0    0.013   0.087     0.239  100.000  100.000
LGA    V    48_A      V    48_A     0.310     0    0.051   0.960     2.267   97.619   88.367
LGA    V    49_A      V    49_A     0.508     0    0.017   0.060     0.800   92.857   91.837
LGA    L    50_A      L    50_A     0.615     0    0.028   0.128     1.656   92.857   86.131
LGA    A    51_A      A    51_A     0.320     0    0.089   0.095     0.993   95.238   96.190
LGA    A    52_A      A    52_A     0.735     0    0.141   0.155     1.172   90.595   90.571
LGA    C    53_A      C    53_A     1.261     0    0.110   0.120     1.700   85.952   81.587
LGA    S    54_A      S    54_A     1.140     0    0.061   0.746     2.921   83.690   78.889
LGA    D    55_A      D    55_A     1.228     0    0.040   0.080     2.192   85.952   78.393
LGA    Y    56_A      Y    56_A     0.775     0    0.022   0.116     1.618   95.238   85.317
LGA    F    57_A      F    57_A     0.498     0    0.015   0.065     1.901   97.619   85.801
LGA    R    58_A      R    58_A     0.640     0    0.029   1.071     7.623   92.857   60.216
LGA    A    59_A      A    59_A     0.708     0    0.034   0.039     0.954   90.476   90.476
LGA    M    60_A      M    60_A     0.837     0    0.020   0.223     1.625   85.952   83.750
LGA    F    61_A      F    61_A     1.414     0    0.016   0.171     1.988   77.143   77.532
LGA    T    62_A      T    62_A     1.951     0    0.185   1.169     4.506   75.000   68.231
LGA    G    63_A      G    63_A     1.257     0    0.189   0.189     1.623   81.548   81.548
LGA    G    64_A      G    64_A     2.633     0    0.280   0.280     3.290   59.286   59.286
LGA    M    65_A      M    65_A     3.470     0    0.029   0.846     3.628   55.476   51.905
LGA    R    66_A      R    66_A     2.756     0    0.036   1.463     8.207   65.357   42.511
LGA    E    67_A      E    67_A     1.500     0    0.066   0.799     3.055   83.810   71.640
LGA    A    68_A      A    68_A     0.523     0    0.018   0.024     1.124   88.214   88.667
LGA    S    69_A      S    69_A     0.877     0    0.026   0.080     1.042   88.214   85.952
LGA    Q    70_A      Q    70_A     0.665     0    0.057   0.227     1.692   95.238   86.667
LGA    D    71_A      D    71_A     0.711     0    0.077   0.384     2.778   92.857   81.964
LGA    V    72_A      V    72_A     0.927     0    0.046   0.076     1.352   85.952   84.014
LGA    I    73_A      I    73_A     1.267     0    0.017   0.070     1.812   81.429   78.214
LGA    E    74_A      E    74_A     1.197     0    0.000   0.105     1.468   81.429   81.429
LGA    L    75_A      L    75_A     1.409     0    0.067   0.929     3.455   77.143   75.357
LGA    K    76_A      K    76_A     1.820     0    0.654   0.541     3.819   65.476   69.577
LGA    G    77_A      G    77_A     1.772     0    0.098   0.098     1.900   72.857   72.857
LGA    V    78_A      V    78_A     1.456     0    0.034   0.063     2.000   83.690   77.891
LGA    S    79_A      S    79_A     1.356     0    0.118   0.508     2.038   81.429   80.159
LGA    A    80_A      A    80_A     1.243     0    0.029   0.036     1.525   83.690   81.524
LGA    R    81_A      R    81_A     0.901     0    0.008   0.126     0.985   90.476   90.476
LGA    G    82_A      G    82_A     0.438     0    0.076   0.076     0.616   92.857   92.857
LGA    L    83_A      L    83_A     0.623     0    0.026   0.099     0.786   90.476   90.476
LGA    R    84_A      R    84_A     0.613     0    0.040   1.412     7.964   90.476   56.753
LGA    H    85_A      H    85_A     0.555     0    0.020   0.251     0.964   92.857   91.429
LGA    I    86_A      I    86_A     0.472     0    0.030   0.123     0.524   97.619   96.429
LGA    I    87_A      I    87_A     0.584     0    0.030   0.679     1.917   95.238   90.655
LGA    D    88_A      D    88_A     0.458     0    0.038   0.124     0.929   97.619   94.048
LGA    F    89_A      F    89_A     0.236     0    0.044   0.213     0.449  100.000  100.000
LGA    A    90_A      A    90_A     0.479     0    0.017   0.022     0.803   95.238   94.286
LGA    Y    91_A      Y    91_A     0.448     0    0.094   0.131     0.820   95.238   93.651
LGA    S    92_A      S    92_A     0.586     0    0.018   0.057     0.908   90.476   90.476
LGA    A    93_A      A    93_A     0.914     0    0.016   0.019     1.201   88.214   86.857
LGA    E    94_A      E    94_A     0.765     0    0.025   0.156     1.880   90.476   83.598
LGA    V    95_A      V    95_A     0.740     0    0.016   0.051     0.873   90.476   90.476
LGA    T    96_A      T    96_A     0.746     0    0.018   0.038     1.205   90.476   87.891
LGA    L    97_A      L    97_A     0.769     0    0.045   0.109     1.787   90.476   83.810
LGA    D    98_A      D    98_A     0.776     0    0.073   0.903     3.742   90.476   77.202
LGA    L    99_A      L    99_A     1.442     0    0.073   1.367     3.927   79.286   73.452
LGA    D   100_A      D   100_A     1.098     0    0.100   0.891     4.208   85.952   68.690
LGA    C   101_A      C   101_A     0.674     0    0.030   0.067     0.830   90.476   90.476
LGA    V   102_A      V   102_A     0.692     0    0.034   1.014     3.049   90.476   82.177
LGA    Q   103_A      Q   103_A     0.570     0    0.049   0.270     1.595   95.238   88.624
LGA    D   104_A      D   104_A     0.266     0    0.016   0.051     0.579  100.000   98.810
LGA    V   105_A      V   105_A     0.305     0    0.025   0.072     0.475  100.000  100.000
LGA    L   106_A      L   106_A     0.386     0    0.051   0.130     0.460  100.000  100.000
LGA    G   107_A      G   107_A     0.465     0    0.069   0.069     0.506   97.619   97.619
LGA    A   108_A      A   108_A     0.494     0    0.049   0.052     0.539  100.000   98.095
LGA    A   109_A      A   109_A     0.342     0    0.025   0.028     0.511   97.619   98.095
LGA    V   110_A      V   110_A     0.656     0    0.019   0.031     0.765   90.476   90.476
LGA    F   111_A      F   111_A     0.822     0    0.023   0.399     1.840   90.476   81.602
LGA    L   112_A      L   112_A     0.376     0    0.050   0.085     0.922   97.619   95.238
LGA    Q   113_A      Q   113_A     0.445     0    0.041   0.113     0.941   95.238   95.767
LGA    M   114_A      M   114_A     0.493     0    0.042   0.689     2.355  100.000   92.083
LGA    L   115_A      L   115_A     0.411     0    0.051   1.440     4.077   97.619   78.512
LGA    P   116_A      P   116_A     0.295     0    0.023   0.318     0.912  100.000   98.639
LGA    V   117_A      V   117_A     0.258     0    0.021   0.066     0.364  100.000  100.000
LGA    V   118_A      V   118_A     0.358     0    0.026   0.043     0.464  100.000  100.000
LGA    E   119_A      E   119_A     0.593     0    0.029   0.423     1.672   92.857   87.566
LGA    L   120_A      L   120_A     0.539     0    0.013   0.128     0.705   90.476   95.238
LGA    C   121_A      C   121_A     0.445     0    0.027   0.063     0.567   95.238   95.238
LGA    E   122_A      E   122_A     0.755     0    0.019   0.183     1.289   90.476   89.471
LGA    E   123_A      E   123_A     1.120     0    0.014   0.969     5.839   83.690   60.582
LGA    F   124_A      F   124_A     0.864     0    0.040   0.348     1.286   90.476   88.831
LGA    L   125_A      L   125_A     0.625     0    0.025   0.112     0.679   90.476   90.476
LGA    K   126_A      K   126_A     0.945     0    0.027   1.068     5.727   88.214   66.561
LGA    A   127_A      A   127_A     0.987     0    0.016   0.017     1.019   90.476   88.667
LGA    A   128_A      A   128_A     0.937     0    0.049   0.056     1.075   85.952   86.857
LGA    M   129_A      M   129_A     1.303     0    0.071   1.265     6.563   79.286   66.310

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     1.234          1.247                  1.826           86.893   82.227

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    124    1.14    90.400    95.800     9.965

LGA_LOCAL      RMSD:   1.144  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.241  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.234  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.985440 * X  +  -0.089714 * Y  +   0.144426 * Z  +  38.836349
  Y_new =   0.156225 * X  +  -0.142589 * Y  +   0.977375 * Z  + -16.151051
  Z_new =  -0.067091 * X  +   0.985708 * Y  +   0.154528 * Z  +  -6.535331 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.984368  0.067141  1.415293   [DEG:  170.9917    3.8469   81.0903 ]
ZXZ:  2.994886  1.415647 -0.067959   [DEG:  171.5943   81.1106   -3.8938 ]
 
# END of job
