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

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.20     1.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69       5_B - 73_B        0.96     1.25
  LONGEST_CONTINUOUS_SEGMENT:    69       6_B - 74_B        0.94     1.23
  LCS_AVERAGE:     72.66

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     69   86   86      0    3    3   46   61   69   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     69   86   86      5   28   57   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     69   86   86      9   34   69   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     69   86   86     30   66   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     69   86   86      5   59   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     69   86   86     32   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     69   86   86     32   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     69   86   86     28   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     69   86   86     42   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     69   86   86     41   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     69   86   86     42   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     69   86   86     42   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     69   86   86     41   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     69   86   86     32   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     69   86   86     32   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     69   86   86     38   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     69   86   86     28   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     69   86   86      9   67   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     69   86   86     21   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     69   86   86      9   64   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     69   86   86     21   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     69   86   86     32   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     69   86   86     30   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     69   86   86     20   62   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     69   86   86     30   67   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     69   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     69   86   86     12   63   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     69   86   86      9   34   75   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     69   86   86      5   16   37   59   81   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     34   86   86      5   11   24   45   73   81   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     34   86   86     12   38   75   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     34   86   86      5   15   72   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     34   86   86     35   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     34   86   86      8   49   73   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     34   86   86     29   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     34   86   86     41   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     34   86   86     26   67   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     34   86   86      7   64   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     34   86   86     43   68   76   82   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  90.89  (  72.66  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     68     76     82     83     84     85     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  50.00  79.07  88.37  95.35  96.51  97.67  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    0.31   0.54   0.66   0.86   0.90   0.99   1.09   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20
GDT RMS_ALL_AT   1.35   1.28   1.27   1.22   1.22   1.21   1.21   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    49_B      E    49_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
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  D    75_B      D    75_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     4.315     0    0.586   0.832    11.628   44.524   23.228
LGA    P     6_B      P     6_B     2.519     0    0.608   0.542     5.435   69.048   53.129
LGA    N     7_B      N     7_B     2.209     0    0.200   1.081     3.104   75.357   72.440
LGA    E     8_B      E     8_B     1.176     0    0.147   0.658     6.195   86.190   56.561
LGA    I     9_B      I     9_B     0.327     0    0.081   0.570     2.462   95.238   92.024
LGA    V    10_B      V    10_B     0.178     0    0.032   1.085     2.702  100.000   90.000
LGA    I    11_B      I    11_B     0.459     0    0.066   0.097     0.929   95.238   97.619
LGA    T    12_B      T    12_B     1.439     0    0.131   0.236     2.551   81.429   73.197
LGA    K    13_B      K    13_B     0.506     0    0.147   0.899     4.094   88.214   77.937
LGA    S    14_B      S    14_B     1.186     0    0.082   0.122     1.769   81.548   80.079
LGA    K    15_B      K    15_B     0.916     0    0.108   0.701     2.047   88.214   84.603
LGA    R    16_B      R    16_B     0.990     0    0.091   1.110     9.873   88.214   53.896
LGA    I    17_B      I    17_B     0.725     0    0.023   1.258     3.542   92.857   78.393
LGA    E    18_B      E    18_B     0.399     0    0.069   1.555     6.399   97.619   69.735
LGA    D    19_B      D    19_B     0.593     0    0.040   0.190     0.927   92.857   92.857
LGA    Y    20_B      Y    20_B     0.473     0    0.046   0.314     4.409   95.238   71.746
LGA    V    21_B      V    21_B     0.208     0    0.035   0.157     0.513  100.000   98.639
LGA    L    22_B      L    22_B     0.390     0    0.035   1.160     3.024   97.619   88.155
LGA    D    23_B      D    23_B     0.551     0    0.033   0.066     0.785   92.857   91.667
LGA    T    24_B      T    24_B     0.549     0    0.028   1.101     2.499   92.857   85.850
LGA    I    25_B      I    25_B     0.772     0    0.031   0.145     1.137   90.476   88.214
LGA    I    26_B      I    26_B     0.777     0    0.029   1.360     3.442   90.476   77.083
LGA    L    27_B      L    27_B     0.711     0    0.026   0.285     1.287   90.476   90.536
LGA    F    28_B      F    28_B     0.975     0    0.024   0.301     1.638   85.952   85.584
LGA    N    29_B      N    29_B     1.108     0    0.048   1.426     4.099   83.690   70.179
LGA    Q    30_B      Q    30_B     0.782     0    0.092   1.045     2.577   85.952   84.921
LGA    G    31_B      G    31_B     1.192     0    0.043   0.043     1.208   83.690   83.690
LGA    Y    32_B      Y    32_B     0.943     0    0.191   0.154     1.288   88.214   89.722
LGA    E    33_B      E    33_B     0.417     0    0.029   0.931     4.676  100.000   71.958
LGA    E    34_B      E    34_B     0.509     0    0.036   0.524     2.617   92.857   86.825
LGA    V    35_B      V    35_B     0.721     0    0.064   1.190     2.858   90.476   83.197
LGA    E    36_B      E    36_B     0.795     0    0.034   0.955     3.002   88.214   78.148
LGA    I    37_B      I    37_B     0.508     0    0.072   0.662     2.201   95.238   89.643
LGA    R    38_B      R    38_B     0.393     0    0.029   0.787     4.347  100.000   80.996
LGA    G    39_B      G    39_B     0.500     0    0.044   0.044     0.614   92.857   92.857
LGA    S    40_B      S    40_B     0.783     0    0.041   0.101     1.148   90.476   88.968
LGA    G    41_B      G    41_B     1.014     0    0.038   0.038     1.014   88.214   88.214
LGA    Q    42_B      Q    42_B     0.981     0    0.046   1.008     4.788   88.214   70.952
LGA    E    43_B      E    43_B     0.591     0    0.085   0.208     1.141   90.476   89.524
LGA    I    44_B      I    44_B     0.496     0    0.031   0.622     1.629   97.619   90.714
LGA    N    45_B      N    45_B     0.556     0    0.025   1.369     3.268   92.857   81.310
LGA    K    46_B      K    46_B     0.610     0    0.029   0.809     3.111   92.857   79.471
LGA    A    47_B      A    47_B     0.247     0    0.035   0.051     0.356  100.000  100.000
LGA    I    48_B      I    48_B     0.200     0    0.051   0.112     1.100  100.000   96.488
LGA    E    49_B      E    49_B     0.538     0    0.041   0.689     2.861   92.857   77.566
LGA    V    50_B      V    50_B     0.366     0    0.044   0.884     2.336  100.000   91.088
LGA    Y    51_B      Y    51_B     0.454     0    0.038   0.111     0.959   95.238   92.857
LGA    N    52_B      N    52_B     0.822     0    0.022   1.170     4.125   90.476   78.274
LGA    Q    53_B      Q    53_B     0.578     0    0.043   0.774     3.416   90.476   79.418
LGA    L    54_B      L    54_B     0.519     0    0.036   0.310     0.807   90.476   91.667
LGA    V    55_B      V    55_B     0.703     0    0.036   1.242     3.109   90.476   82.177
LGA    D    56_B      D    56_B     0.724     0    0.072   0.803     3.064   88.214   78.869
LGA    R    57_B      R    57_B     0.555     0    0.051   1.723     7.964   90.476   60.433
LGA    L    58_B      L    58_B     0.576     0    0.095   0.114     0.679   95.238   92.857
LGA    K    59_B      K    59_B     0.593     0    0.039   1.296     4.096   92.857   73.704
LGA    E    60_B      E    60_B     0.524     0    0.044   1.279     5.386   90.476   72.169
LGA    G    61_B      G    61_B     0.527     0    0.130   0.130     1.017   88.214   88.214
LGA    V    62_B      V    62_B     0.366     0    0.029   0.080     0.612  100.000   98.639
LGA    R    63_B      R    63_B     0.259     0    0.062   1.065     6.093  100.000   75.714
LGA    L    64_B      L    64_B     0.180     0    0.038   0.138     0.559  100.000   98.810
LGA    E    65_B      E    65_B     0.369     0    0.095   0.594     2.851   95.238   81.217
LGA    K    66_B      K    66_B     0.834     0    0.073   1.024     4.902   92.857   72.328
LGA    V    67_B      V    67_B     0.748     0    0.053   1.057     2.323   85.952   80.544
LGA    D    68_B      D    68_B     1.749     0    0.059   0.724     4.768   81.548   62.143
LGA    I    69_B      I    69_B     1.372     0    0.033   0.133     2.263   77.143   75.060
LGA    G    70_B      G    70_B     1.008     0    0.076   0.076     1.045   85.952   85.952
LGA    S    71_B      S    71_B     0.817     0    0.057   0.653     3.623   86.071   78.175
LGA    E    72_B      E    72_B     1.140     0    0.025   0.675     4.060   85.952   69.683
LGA    V    73_B      V    73_B     1.965     0    0.033   0.126     3.458   63.214   63.878
LGA    K    74_B      K    74_B     3.561     0    0.347   0.892     5.673   39.762   43.280
LGA    D    75_B      D    75_B     4.667     0    0.240   1.131     6.207   42.024   33.750
LGA    R    76_B      R    76_B     1.802     0    0.040   1.108     5.149   75.476   57.662
LGA    R    77_B      R    77_B     1.852     0    0.051   0.912     5.593   77.143   48.009
LGA    R    78_B      R    78_B     0.861     0    0.040   1.661    10.134   79.524   47.792
LGA    I    79_B      I    79_B     1.650     0    0.090   1.363     3.580   81.548   70.476
LGA    S    80_B      S    80_B     0.903     0    0.052   0.689     2.638   88.214   81.905
LGA    Y    81_B      Y    81_B     0.676     0    0.030   0.138     1.254   90.476   88.214
LGA    I    82_B      I    82_B     0.688     0    0.025   1.229     3.096   90.476   77.083
LGA    L    83_B      L    83_B     0.783     0    0.041   1.387     3.431   88.214   76.012
LGA    L    84_B      L    84_B     0.792     0    0.071   0.865     2.221   88.214   83.929
LGA    R    85_B      R    85_B     0.679     0    0.018   1.109     3.417   90.476   78.355
LGA    L    86_B      L    86_B     0.221     0    0.026   0.845     2.453   97.619   89.821
LGA    K    87_B      K    87_B     0.526     0    0.099   0.608     2.350   92.857   83.862
LGA    R    88_B      R    88_B     1.159     0    0.032   0.991     6.206   83.690   62.814
LGA    I    89_B      I    89_B     1.672     0    0.054   1.248     3.355   72.857   69.048
LGA    Y    90_B      Y    90_B     1.165     0    0.133   0.418     2.719   79.286   72.381

# 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):     1.201          1.174                  2.307           87.926   78.335

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    1.20    93.605    96.716     6.612

LGA_LOCAL      RMSD:   1.201  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.201  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.201  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.253566 * X  +   0.446046 * Y  +   0.858340 * Z  + -22.980534
  Y_new =  -0.964149 * X  +   0.188306 * Y  +   0.186968 * Z  + -37.207745
  Z_new =  -0.078235 * X  +  -0.874976 * Y  +   0.477803 * Z  +  12.682746 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.313626  0.078315 -1.070971   [DEG:  -75.2652    4.4871  -61.3621 ]
ZXZ:  1.785271  1.072644 -3.052416   [DEG:  102.2885   61.4580 -174.8906 ]
 
# END of job
