
#######################################################
#                                                     #
#                        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   90 (  747),  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        0.77     0.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.77     0.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.77     0.77
  LCS_AVERAGE:    100.00

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     86   86   86      3    4    5    5   18   83   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86     16   78   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86      3   25   60   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     49   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     62   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86      4   67   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86     13   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86     25   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     67   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     49   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86      7   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      4   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86     45   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86     16   78   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86     13   25   69   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86      7   72   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     66   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     66   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86     68   79   83   85   85   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     68     79     83     85     85     85     85     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  79.07  91.86  96.51  98.84  98.84  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.41   0.50   0.61   0.61   0.61   0.61   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77
GDT RMS_ALL_AT   0.78   0.78   0.77   0.78   0.78   0.78   0.78   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  E    34_B      E    34_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     4.357     0    0.566   1.046     7.211   42.262   30.159
LGA    P     6_B      P     6_B     1.410     0    0.653   0.571     2.969   77.381   69.796
LGA    N     7_B      N     7_B     2.423     0    0.270   0.281     4.496   75.357   58.571
LGA    E     8_B      E     8_B     0.664     0    0.157   0.642     5.903   92.976   61.746
LGA    I     9_B      I     9_B     0.207     0    0.036   0.129     1.061   97.619   91.786
LGA    V    10_B      V    10_B     0.281     0    0.034   0.070     0.590  100.000   98.639
LGA    I    11_B      I    11_B     0.578     0    0.021   0.084     0.851   92.857   96.429
LGA    T    12_B      T    12_B     1.456     0    0.103   0.214     2.535   83.690   74.490
LGA    K    13_B      K    13_B     0.480     0    0.114   0.711     1.457   97.619   91.640
LGA    S    14_B      S    14_B     0.306     0    0.167   0.581     1.762   92.976   90.794
LGA    K    15_B      K    15_B     0.280     0    0.111   0.328     1.219   92.976   92.698
LGA    R    16_B      R    16_B     0.214     0    0.051   1.581     8.647  100.000   60.260
LGA    I    17_B      I    17_B     0.048     0    0.032   0.165     0.401  100.000  100.000
LGA    E    18_B      E    18_B     0.231     0    0.064   1.833     6.052  100.000   71.429
LGA    D    19_B      D    19_B     0.332     0    0.045   0.978     3.280  100.000   83.988
LGA    Y    20_B      Y    20_B     0.223     0    0.036   0.336     1.994  100.000   91.508
LGA    V    21_B      V    21_B     0.169     0    0.042   0.139     0.614  100.000   98.639
LGA    L    22_B      L    22_B     0.412     0    0.040   1.324     2.731  100.000   86.726
LGA    D    23_B      D    23_B     0.445     0    0.041   0.273     1.260  100.000   94.167
LGA    T    24_B      T    24_B     0.235     0    0.031   1.118     2.575  100.000   88.844
LGA    I    25_B      I    25_B     0.197     0    0.023   0.187     0.628  100.000   97.619
LGA    I    26_B      I    26_B     0.158     0    0.034   1.607     4.598  100.000   81.667
LGA    L    27_B      L    27_B     0.333     0    0.026   0.288     0.820   97.619   96.429
LGA    F    28_B      F    28_B     0.328     0    0.026   0.228     0.811  100.000   97.403
LGA    N    29_B      N    29_B     0.673     0    0.043   0.961     3.827   88.214   75.417
LGA    Q    30_B      Q    30_B     0.998     0    0.064   0.855     3.363   83.810   70.899
LGA    G    31_B      G    31_B     1.075     0    0.061   0.061     1.075   88.214   88.214
LGA    Y    32_B      Y    32_B     0.581     0    0.070   0.243     3.106   92.857   79.167
LGA    E    33_B      E    33_B     0.466     0    0.030   0.984     4.360   97.619   75.132
LGA    E    34_B      E    34_B     0.336     0    0.024   0.574     2.500  100.000   88.995
LGA    V    35_B      V    35_B     0.367     0    0.038   0.100     0.691  100.000   98.639
LGA    E    36_B      E    36_B     0.345     0    0.024   0.175     0.636   97.619   96.825
LGA    I    37_B      I    37_B     0.191     0    0.078   0.101     0.687  100.000   97.619
LGA    R    38_B      R    38_B     0.187     0    0.045   1.050     3.238  100.000   84.892
LGA    G    39_B      G    39_B     0.169     0    0.030   0.030     0.271  100.000  100.000
LGA    S    40_B      S    40_B     0.412     0    0.047   0.112     0.688  100.000   96.825
LGA    G    41_B      G    41_B     0.161     0    0.030   0.030     0.254  100.000  100.000
LGA    Q    42_B      Q    42_B     0.192     0    0.077   1.373     5.191  100.000   78.360
LGA    E    43_B      E    43_B     0.165     0    0.098   0.272     0.927  100.000   96.825
LGA    I    44_B      I    44_B     0.233     0    0.034   0.105     0.291  100.000  100.000
LGA    N    45_B      N    45_B     0.223     0    0.022   0.837     3.230  100.000   83.988
LGA    K    46_B      K    46_B     0.140     0    0.028   0.173     1.136  100.000   96.878
LGA    A    47_B      A    47_B     0.155     0    0.030   0.048     0.247  100.000  100.000
LGA    I    48_B      I    48_B     0.157     0    0.039   0.110     0.546  100.000   98.810
LGA    E    49_B      E    49_B     0.194     0    0.054   0.977     3.118  100.000   81.852
LGA    V    50_B      V    50_B     0.131     0    0.028   0.078     0.339  100.000  100.000
LGA    Y    51_B      Y    51_B     0.259     0    0.025   0.102     2.013  100.000   87.817
LGA    N    52_B      N    52_B     0.427     0    0.025   0.674     2.212  100.000   90.893
LGA    Q    53_B      Q    53_B     0.211     0    0.046   0.793     3.319  100.000   87.354
LGA    L    54_B      L    54_B     0.276     0    0.031   1.336     3.383  100.000   85.952
LGA    V    55_B      V    55_B     0.430     0    0.029   1.249     3.042  100.000   86.463
LGA    D    56_B      D    56_B     0.396     0    0.052   0.518     2.053   97.619   93.214
LGA    R    57_B      R    57_B     0.155     0    0.050   1.784     8.193  100.000   65.152
LGA    L    58_B      L    58_B     0.239     0    0.048   0.093     0.355  100.000  100.000
LGA    K    59_B      K    59_B     0.342     0    0.024   1.106     5.068  100.000   78.360
LGA    E    60_B      E    60_B     0.326     0    0.036   1.633     5.965  100.000   71.905
LGA    G    61_B      G    61_B     0.237     0    0.146   0.146     0.691   97.619   97.619
LGA    V    62_B      V    62_B     0.187     0    0.023   0.078     0.375  100.000  100.000
LGA    R    63_B      R    63_B     0.388     0    0.049   1.435     4.395  100.000   75.022
LGA    L    64_B      L    64_B     0.310     0    0.039   0.095     0.938  100.000   95.238
LGA    E    65_B      E    65_B     0.325     0    0.090   1.056     4.512   95.238   82.434
LGA    K    66_B      K    66_B     0.706     0    0.076   0.695     4.122   97.619   75.979
LGA    V    67_B      V    67_B     0.203     0    0.058   0.913     2.365  100.000   91.088
LGA    D    68_B      D    68_B     0.234     0    0.033   0.202     0.989  100.000   98.810
LGA    I    69_B      I    69_B     0.244     0    0.051   0.678     2.247  100.000   94.405
LGA    G    70_B      G    70_B     0.598     0    0.077   0.077     0.598   92.857   92.857
LGA    S    71_B      S    71_B     0.316     0    0.058   0.128     1.054   92.976   95.317
LGA    E    72_B      E    72_B     0.946     0    0.055   0.289     1.544   88.214   83.492
LGA    V    73_B      V    73_B     0.879     0    0.034   1.198     2.649   90.476   82.041
LGA    K    74_B      K    74_B     0.786     0    0.426   1.191     3.052   78.095   75.450
LGA    D    75_B      D    75_B     1.145     0    0.569   0.591     2.227   79.524   74.167
LGA    R    76_B      R    76_B     2.319     0    0.316   0.897     7.011   75.357   44.545
LGA    R    77_B      R    77_B     1.427     0    0.109   0.598     5.298   79.286   52.944
LGA    R    78_B      R    78_B     0.472     0    0.023   1.385     7.034   97.619   68.961
LGA    I    79_B      I    79_B     0.453     0    0.055   1.159     2.780   95.238   84.286
LGA    S    80_B      S    80_B     0.481     0    0.041   0.057     0.786  100.000   96.825
LGA    Y    81_B      Y    81_B     0.464     0    0.045   0.102     0.975   95.238   92.063
LGA    I    82_B      I    82_B     0.377     0    0.024   0.115     0.502   97.619   98.810
LGA    L    83_B      L    83_B     0.144     0    0.014   1.384     3.115  100.000   84.107
LGA    L    84_B      L    84_B     0.416     0    0.068   0.098     0.772   95.238   97.619
LGA    R    85_B      R    85_B     0.380     0    0.026   1.477     6.638  100.000   69.437
LGA    L    86_B      L    86_B     0.189     0    0.036   0.072     0.735   97.619   95.238
LGA    K    87_B      K    87_B     0.327     0    0.046   0.889     2.913  100.000   92.116
LGA    R    88_B      R    88_B     0.320     0    0.042   1.009     2.859  100.000   92.684
LGA    I    89_B      I    89_B     0.595     0    0.080   1.050     3.172   97.619   81.488
LGA    Y    90_B      Y    90_B     0.544     0    0.043   0.206     1.060   95.238   86.786

# 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):     0.772          0.742                  1.897           95.674   85.973

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.77    97.674    98.802     9.867

LGA_LOCAL      RMSD:   0.772  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.772  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.772  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.944195 * X  +   0.324970 * Y  +   0.053764 * Z  +   0.734512
  Y_new =  -0.310776 * X  +   0.932987 * Y  +  -0.181533 * Z  +  32.026028
  Z_new =  -0.109154 * X  +   0.154694 * Y  +   0.981914 * Z  + -19.179901 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.317975  0.109372  0.156259   [DEG:  -18.2186    6.2666    8.9530 ]
ZXZ:  0.287938  0.190477 -0.614484   [DEG:   16.4976   10.9135  -35.2073 ]
 
# END of job
