
#######################################################
#                                                     #
#                        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        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.70     1.25
  LCS_AVERAGE:     95.48

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      3    3    3    4   14   71   80   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    5    5    6    9   18   26   43   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86     20   69   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     52   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     27   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     40   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     40   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86     39   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     13   73   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86     30   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     51   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     59   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     59   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     52   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     46   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     57   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      7   35   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      8   12   77   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86      8   12   77   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86      7   20   77   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86      8   22   78   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86     40   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     52   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     46   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     57   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     60   75   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86      3   63   80   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.49  (  95.48  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     60     75     80     84     84     84     84     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  69.77  87.21  93.02  97.67  97.67  97.67  97.67  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    0.27   0.42   0.53   0.70   0.70   0.70   0.70   0.94   0.94   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21
GDT RMS_ALL_AT   1.28   1.29   1.27   1.25   1.25   1.25   1.25   1.22   1.22   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     5.627     0    0.626   0.697     7.006   22.619   21.376
LGA    P     6_B      P     6_B     7.339     0    0.665   0.757    10.425   16.905   10.272
LGA    N     7_B      N     7_B     1.239     0    0.519   1.207     4.044   84.643   71.429
LGA    E     8_B      E     8_B     0.747     0    0.061   0.856     5.859   90.476   62.751
LGA    I     9_B      I     9_B     0.848     0    0.134   0.127     1.401   88.214   89.345
LGA    V    10_B      V    10_B     0.510     0    0.050   0.078     0.790   95.238   94.558
LGA    I    11_B      I    11_B     0.313     0    0.034   0.075     0.421  100.000  100.000
LGA    T    12_B      T    12_B     0.593     0    0.109   0.164     1.050   95.238   91.905
LGA    K    13_B      K    13_B     0.471     0    0.125   0.883     4.463   95.238   81.058
LGA    S    14_B      S    14_B     1.217     0    0.137   0.147     1.738   79.286   80.000
LGA    K    15_B      K    15_B     0.256     0    0.111   0.667     1.392   95.238   88.571
LGA    R    16_B      R    16_B     0.122     0    0.023   0.816     5.046  100.000   80.260
LGA    I    17_B      I    17_B     0.244     0    0.025   0.049     0.329  100.000  100.000
LGA    E    18_B      E    18_B     0.283     0    0.038   0.249     1.042  100.000   96.878
LGA    D    19_B      D    19_B     0.387     0    0.015   0.123     0.525  100.000   97.619
LGA    Y    20_B      Y    20_B     0.220     0    0.016   0.085     0.412  100.000  100.000
LGA    V    21_B      V    21_B     0.189     0    0.010   0.050     0.363  100.000  100.000
LGA    L    22_B      L    22_B     0.402     0    0.054   1.354     2.872   97.619   83.512
LGA    D    23_B      D    23_B     0.478     0    0.013   0.166     0.586  100.000   97.619
LGA    T    24_B      T    24_B     0.217     0    0.009   0.052     0.331  100.000  100.000
LGA    I    25_B      I    25_B     0.319     0    0.040   0.131     0.697  100.000   97.619
LGA    I    26_B      I    26_B     0.316     0    0.028   0.044     0.497  100.000  100.000
LGA    L    27_B      L    27_B     0.441     0    0.028   0.124     0.686   95.238   96.429
LGA    F    28_B      F    28_B     0.566     0    0.019   0.102     0.888   90.476   93.939
LGA    N    29_B      N    29_B     0.999     0    0.016   1.397     4.950   85.952   67.976
LGA    Q    30_B      Q    30_B     1.063     0    0.061   0.085     1.155   81.429   85.450
LGA    G    31_B      G    31_B     1.461     0    0.008   0.008     1.461   81.429   81.429
LGA    Y    32_B      Y    32_B     0.955     0    0.152   0.221     1.492   85.952   84.444
LGA    E    33_B      E    33_B     0.579     0    0.017   0.734     3.052   95.238   80.423
LGA    E    34_B      E    34_B     0.321     0    0.020   0.170     1.243  100.000   92.698
LGA    V    35_B      V    35_B     0.063     0    0.026   0.048     0.173  100.000  100.000
LGA    E    36_B      E    36_B     0.303     0    0.018   0.107     0.468  100.000  100.000
LGA    I    37_B      I    37_B     0.528     0    0.017   0.055     0.590   95.238   92.857
LGA    R    38_B      R    38_B     0.571     0    0.081   0.562     3.183   90.476   80.606
LGA    G    39_B      G    39_B     0.565     0    0.015   0.015     0.595   95.238   95.238
LGA    S    40_B      S    40_B     0.628     0    0.075   0.666     2.003   90.476   84.683
LGA    G    41_B      G    41_B     0.204     0    0.045   0.045     0.441  100.000  100.000
LGA    Q    42_B      Q    42_B     0.105     0    0.015   0.863     2.424  100.000   92.011
LGA    E    43_B      E    43_B     0.281     0    0.034   0.860     2.897  100.000   86.402
LGA    I    44_B      I    44_B     0.176     0    0.035   0.087     0.365  100.000  100.000
LGA    N    45_B      N    45_B     0.250     0    0.030   0.885     3.404  100.000   84.940
LGA    K    46_B      K    46_B     0.284     0    0.014   0.058     0.373  100.000  100.000
LGA    A    47_B      A    47_B     0.141     0    0.012   0.012     0.232  100.000  100.000
LGA    I    48_B      I    48_B     0.111     0    0.043   0.061     0.350  100.000  100.000
LGA    E    49_B      E    49_B     0.262     0    0.038   1.088     4.383  100.000   77.989
LGA    V    50_B      V    50_B     0.155     0    0.020   0.041     0.282  100.000  100.000
LGA    Y    51_B      Y    51_B     0.145     0    0.027   0.072     0.650  100.000   97.619
LGA    N    52_B      N    52_B     0.401     0    0.067   0.095     0.591   97.619   98.810
LGA    Q    53_B      Q    53_B     0.295     0    0.023   0.083     0.425  100.000  100.000
LGA    L    54_B      L    54_B     0.174     0    0.018   0.048     0.245  100.000  100.000
LGA    V    55_B      V    55_B     0.287     0    0.023   0.058     0.451  100.000  100.000
LGA    D    56_B      D    56_B     0.323     0    0.020   0.689     2.948  100.000   86.845
LGA    R    57_B      R    57_B     0.407     0    0.020   1.447     9.274   95.238   56.190
LGA    L    58_B      L    58_B     0.404     0    0.017   0.047     0.553  100.000   98.810
LGA    K    59_B      K    59_B     0.494     0    0.020   0.987     4.841   97.619   81.905
LGA    E    60_B      E    60_B     0.377     0    0.068   0.845     3.256  100.000   84.709
LGA    G    61_B      G    61_B     0.434     0    0.052   0.052     0.434  100.000  100.000
LGA    V    62_B      V    62_B     0.271     0    0.054   0.061     0.367  100.000  100.000
LGA    R    63_B      R    63_B     0.191     0    0.024   0.196     1.318  100.000   94.069
LGA    L    64_B      L    64_B     0.293     0    0.014   0.043     0.433  100.000  100.000
LGA    E    65_B      E    65_B     0.327     0    0.018   0.140     0.599  100.000   97.884
LGA    K    66_B      K    66_B     0.504     0    0.037   0.764     4.302   97.619   80.317
LGA    V    67_B      V    67_B     0.616     0    0.035   0.041     0.858   90.476   90.476
LGA    D    68_B      D    68_B     0.986     0    0.071   0.102     1.227   88.214   85.952
LGA    I    69_B      I    69_B     0.671     0    0.053   0.052     0.795   90.476   90.476
LGA    G    70_B      G    70_B     1.014     0    0.035   0.035     1.014   88.214   88.214
LGA    S    71_B      S    71_B     0.613     0    0.067   0.605     2.904   88.214   83.413
LGA    E    72_B      E    72_B     1.206     0    0.077   0.595     3.243   85.952   78.095
LGA    V    73_B      V    73_B     2.071     0    0.085   0.093     3.157   63.095   60.544
LGA    K    74_B      K    74_B     1.982     0    0.059   0.868     4.278   75.000   63.810
LGA    D    75_B      D    75_B     1.875     0    0.051   0.084     2.198   72.857   71.845
LGA    R    76_B      R    76_B     1.921     0    0.049   1.054     3.065   72.857   67.879
LGA    R    77_B      R    77_B     0.898     0    0.016   0.779     3.933   88.214   79.091
LGA    R    78_B      R    78_B     0.772     0    0.029   0.659     5.472   88.214   63.463
LGA    I    79_B      I    79_B     1.103     0    0.152   1.112     2.839   85.952   75.417
LGA    S    80_B      S    80_B     0.781     0    0.016   0.038     1.249   92.857   90.556
LGA    Y    81_B      Y    81_B     0.559     0    0.008   0.114     1.427   92.857   88.254
LGA    I    82_B      I    82_B     0.381     0    0.016   0.046     0.497  100.000  100.000
LGA    L    83_B      L    83_B     0.467     0    0.034   0.077     0.727  100.000   95.238
LGA    L    84_B      L    84_B     0.289     0    0.101   0.125     0.815   97.619   98.810
LGA    R    85_B      R    85_B     0.129     0    0.064   1.276     5.305  100.000   79.221
LGA    L    86_B      L    86_B     0.147     0    0.011   0.082     0.365  100.000  100.000
LGA    K    87_B      K    87_B     0.355     0    0.025   0.315     2.069  100.000   91.005
LGA    R    88_B      R    88_B     0.422     0    0.044   1.076     9.008   97.619   56.407
LGA    I    89_B      I    89_B     0.411     0    0.625   0.769     2.638   86.905   86.905
LGA    Y    90_B      Y    90_B     1.446     0    0.059   1.497     5.328   58.095   49.008

# 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):     1.213          1.221                  1.905           92.321   86.436

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     85    0.94    95.930    97.761     8.200

LGA_LOCAL      RMSD:   0.937  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.222  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.213  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.416363 * X  +  -0.727061 * Y  +   0.545915 * Z  +   8.449208
  Y_new =  -0.682233 * X  +  -0.147062 * Y  +  -0.716192 * Z  +  10.384710
  Z_new =   0.600999 * X  +  -0.670637 * Y  +  -0.434794 * Z  +  -4.785695 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.118752 -0.644751 -2.145996   [DEG: -121.3955  -36.9415 -122.9565 ]
ZXZ:  0.651293  2.020606  2.410903   [DEG:   37.3163  115.7722  138.1345 ]
 
# END of job
