
#######################################################
#                                                     #
#                        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   88 (  733),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       6_B - 90_B        0.99     1.14
  LCS_AVERAGE:     97.73

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B      3   86   86      0    3   11   18   43   75   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     85   86   86      3    3    4    6   19   23   46   55   80   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     85   86   86      3   39   64   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     85   86   86     39   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     85   86   86      4   51   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     85   86   86     60   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     85   86   86      9   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     85   86   86      6   19   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     85   86   86      9   56   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     85   86   86     17   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     85   86   86     52   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     85   86   86     37   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     85   86   86     47   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     85   86   86     58   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     85   86   86      7   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     85   86   86      7   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     85   86   86     54   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     85   86   86      4   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     85   86   86     33   76   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     85   86   86      7   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     85   86   86     60   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     85   86   86     58   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     85   86   86     60   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     85   86   86     62   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     85   86   86     60   79   83   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  99.24  (  97.73  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     62     79     83     84     84     84     85     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  72.09  91.86  96.51  97.67  97.67  97.67  98.84  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.45   0.55   0.60   0.60   0.60   0.84   0.84   0.84   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.18   1.18   1.18   1.17   1.17   1.17   1.14   1.14   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     5.329     0    0.263   0.817     8.805   24.048   16.720
LGA    P     6_B      P     6_B     7.251     0    0.453   0.490    10.424   15.833    9.864
LGA    N     7_B      N     7_B     2.148     0    0.410   1.329     3.475   71.667   67.500
LGA    E     8_B      E     8_B     0.680     0    0.135   0.648     6.549   92.976   61.799
LGA    I     9_B      I     9_B     0.245     0    0.076   0.106     1.342   97.619   91.786
LGA    V    10_B      V    10_B     0.295     0    0.043   0.087     0.739   97.619   94.558
LGA    I    11_B      I    11_B     0.430     0    0.045   0.635     2.421   95.238   93.214
LGA    T    12_B      T    12_B     1.383     0    0.110   0.182     2.585   88.214   77.075
LGA    K    13_B      K    13_B     0.492     0    0.094   0.771     2.748   92.857   80.265
LGA    S    14_B      S    14_B     0.812     0    0.054   0.060     0.923   90.476   90.476
LGA    K    15_B      K    15_B     0.320     0    0.137   0.604     1.743   92.976   92.804
LGA    R    16_B      R    16_B     0.618     0    0.041   0.319     3.492   95.238   73.377
LGA    I    17_B      I    17_B     0.343     0    0.000   0.129     0.600  100.000   98.810
LGA    E    18_B      E    18_B     0.365     0    0.074   1.562     6.263  100.000   72.910
LGA    D    19_B      D    19_B     0.443     0    0.091   0.827     2.713   97.619   84.464
LGA    Y    20_B      Y    20_B     0.379     0    0.060   1.029     7.106  100.000   65.397
LGA    V    21_B      V    21_B     0.098     0    0.028   0.047     0.392  100.000  100.000
LGA    L    22_B      L    22_B     0.399     0    0.066   0.227     1.470  100.000   92.976
LGA    D    23_B      D    23_B     0.546     0    0.039   0.076     1.059   95.238   91.726
LGA    T    24_B      T    24_B     0.382     0    0.027   0.071     0.409  100.000  100.000
LGA    I    25_B      I    25_B     0.374     0    0.047   0.108     0.419  100.000  100.000
LGA    I    26_B      I    26_B     0.501     0    0.026   0.109     1.083   95.238   91.726
LGA    L    27_B      L    27_B     0.388     0    0.025   0.197     0.584   97.619   96.429
LGA    F    28_B      F    28_B     0.508     0    0.043   0.167     0.963   92.857   96.537
LGA    N    29_B      N    29_B     0.996     0    0.071   0.908     4.371   83.810   69.524
LGA    Q    30_B      Q    30_B     1.644     0    0.104   0.873     2.516   79.286   73.968
LGA    G    31_B      G    31_B     1.435     0    0.035   0.035     1.446   83.690   83.690
LGA    Y    32_B      Y    32_B     0.932     0    0.064   0.325     2.596   90.476   77.540
LGA    E    33_B      E    33_B     0.767     0    0.076   1.031     5.938   90.476   63.069
LGA    E    34_B      E    34_B     0.448     0    0.056   0.517     1.556   97.619   86.772
LGA    V    35_B      V    35_B     0.311     0    0.000   0.042     0.496  100.000  100.000
LGA    E    36_B      E    36_B     0.241     0    0.023   0.143     0.712  100.000   98.942
LGA    I    37_B      I    37_B     0.276     0    0.000   0.117     1.182  100.000   94.107
LGA    R    38_B      R    38_B     0.249     0    0.058   1.242     5.995  100.000   76.710
LGA    G    39_B      G    39_B     0.186     0    0.015   0.015     0.249  100.000  100.000
LGA    S    40_B      S    40_B     0.496     0    0.058   0.587     1.329  100.000   95.317
LGA    G    41_B      G    41_B     0.137     0    0.049   0.049     0.348  100.000  100.000
LGA    Q    42_B      Q    42_B     0.560     0    0.040   0.675     2.685   95.238   83.968
LGA    E    43_B      E    43_B     0.111     0    0.000   0.307     0.939  100.000   97.884
LGA    I    44_B      I    44_B     0.306     0    0.022   0.093     0.522   97.619   98.810
LGA    N    45_B      N    45_B     0.345     0    0.051   0.167     0.831   97.619   96.429
LGA    K    46_B      K    46_B     0.339     0    0.045   0.107     0.586  100.000   97.884
LGA    A    47_B      A    47_B     0.671     0    0.037   0.031     0.827   90.476   90.476
LGA    I    48_B      I    48_B     0.501     0    0.037   0.646     2.311   95.238   93.214
LGA    E    49_B      E    49_B     0.263     0    0.074   0.724     2.836  100.000   91.111
LGA    V    50_B      V    50_B     0.174     0    0.034   0.036     0.221  100.000  100.000
LGA    Y    51_B      Y    51_B     0.196     0    0.000   0.131     0.861  100.000   96.032
LGA    N    52_B      N    52_B     0.237     0    0.067   0.109     1.028  100.000   95.298
LGA    Q    53_B      Q    53_B     0.189     0    0.008   0.734     3.025   97.619   85.608
LGA    L    54_B      L    54_B     0.337     0    0.000   1.279     2.910  100.000   87.917
LGA    V    55_B      V    55_B     0.270     0    0.021   0.803     1.748  100.000   92.245
LGA    D    56_B      D    56_B     0.402     0    0.085   0.311     1.147   97.619   94.107
LGA    R    57_B      R    57_B     0.431     0    0.129   1.705     9.094   92.976   56.667
LGA    L    58_B      L    58_B     0.390     0    0.000   0.044     0.427  100.000  100.000
LGA    K    59_B      K    59_B     0.422     0    0.044   1.095     4.134  100.000   80.212
LGA    E    60_B      E    60_B     0.247     0    0.021   0.828     3.009  100.000   85.767
LGA    G    61_B      G    61_B     0.246     0    0.057   0.057     0.247  100.000  100.000
LGA    V    62_B      V    62_B     0.292     0    0.031   0.048     0.352  100.000  100.000
LGA    R    63_B      R    63_B     0.279     0    0.022   1.390     4.120  100.000   83.593
LGA    L    64_B      L    64_B     0.366     0    0.036   0.045     0.457  100.000  100.000
LGA    E    65_B      E    65_B     0.295     0    0.050   1.075     5.155   95.238   72.328
LGA    K    66_B      K    66_B     0.770     0    0.077   0.925     2.884   97.619   85.079
LGA    V    67_B      V    67_B     0.303     0    0.000   0.098     0.494  100.000  100.000
LGA    D    68_B      D    68_B     0.180     0    0.050   0.733     2.726  100.000   86.845
LGA    I    69_B      I    69_B     0.371     0    0.095   0.117     0.439  100.000  100.000
LGA    G    70_B      G    70_B     0.858     0    0.032   0.032     0.858   90.476   90.476
LGA    S    71_B      S    71_B     0.417     0    0.081   0.617     2.134   92.976   89.444
LGA    E    72_B      E    72_B     0.852     0    0.085   0.507     2.082   88.214   84.603
LGA    V    73_B      V    73_B     0.970     0    0.566   1.393     3.376   78.095   71.565
LGA    K    74_B      K    74_B     0.670     0    0.341   1.388     3.164   75.833   73.492
LGA    D    75_B      D    75_B     0.867     0    0.518   0.697     2.408   84.048   77.500
LGA    R    76_B      R    76_B     1.383     0    0.147   1.248     9.548   86.190   48.658
LGA    R    77_B      R    77_B     0.938     0    0.046   1.077     5.646   88.214   69.048
LGA    R    78_B      R    78_B     0.257     0    0.093   1.326     7.706  100.000   62.900
LGA    I    79_B      I    79_B     0.677     0    0.051   1.167     2.907   90.476   81.905
LGA    S    80_B      S    80_B     0.618     0    0.014   0.647     1.853   95.238   90.714
LGA    Y    81_B      Y    81_B     0.453     0    0.041   0.164     1.375  100.000   90.635
LGA    I    82_B      I    82_B     0.359     0    0.047   0.068     0.495  100.000  100.000
LGA    L    83_B      L    83_B     0.120     0    0.000   1.396     3.154   97.619   83.810
LGA    L    84_B      L    84_B     0.456     0    0.100   0.146     0.952   95.238   95.238
LGA    R    85_B      R    85_B     0.347     0    0.000   1.197     6.659  100.000   74.545
LGA    L    86_B      L    86_B     0.229     0    0.000   0.121     0.895  100.000   96.429
LGA    K    87_B      K    87_B     0.384     0    0.000   0.962     3.376  100.000   91.323
LGA    R    88_B      R    88_B     0.311     0    0.047   0.218     0.867   97.619   98.268
LGA    I    89_B      I    89_B     0.543     0    0.085   1.116     2.621   97.619   83.333
LGA    Y    90_B      Y    90_B     0.434     0    0.032   0.219     0.944   97.619   92.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     1.133          1.128                  2.041           93.854   85.561

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   88   86    4.0     85    0.84    97.093    98.455     9.051

LGA_LOCAL      RMSD:   0.839  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.143  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.133  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.147418 * X  +  -0.521933 * Y  +  -0.840151 * Z  + -176.895294
  Y_new =  -0.699072 * X  +  -0.545921 * Y  +   0.461810 * Z  + -184.782501
  Z_new =  -0.699690 * X  +   0.655405 * Y  +  -0.284390 * Z  + 140.043106 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.778628  0.774964  1.980194   [DEG: -101.9079   44.4022  113.4568 ]
ZXZ: -2.073390  1.859167 -0.818067   [DEG: -118.7965  106.5224  -46.8718 ]
 
# END of job
