
#######################################################
#                                                     #
#                        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   86 (  717),  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        1.00     1.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.00     1.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.00     1.00
  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      4   21   68   78   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86     17   53   77   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86      4   36   68   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     29   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86      6   59   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     40   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     24   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     21   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     24   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     39   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     32   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     36   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     39   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     36   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     24   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     32   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     32   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     15   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86      9   65   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86      7   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86      7   17   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86      9   65   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     39   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     28   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     29   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     42   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     42   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     40   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86     15   68   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      9   49   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86      6   19   33   77   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86      6   16   33   69   83   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86      6   24   75   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86     15   57   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     36   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     12   57   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     23   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     42   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     39   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     42   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     43   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     15   69   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     24   64   79   83   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86     43   69   79   83   84   86   86   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     43     69     79     83     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  50.00  80.23  91.86  96.51  97.67 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.55   0.69   0.83   0.86   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00
GDT RMS_ALL_AT   1.11   1.07   1.05   1.01   1.01   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00

# Checking swapping
#   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    36_B      E    36_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  D    75_B      D    75_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     2.492     0    0.574   0.676    10.553   62.619   37.884
LGA    P     6_B      P     6_B     1.753     0    0.077   0.277     3.199   70.833   65.034
LGA    N     7_B      N     7_B     2.247     0    0.242   0.922     3.361   75.357   71.310
LGA    E     8_B      E     8_B     1.000     0    0.160   0.827     7.249   88.333   57.831
LGA    I     9_B      I     9_B     0.269     0    0.060   0.566     2.595   95.238   91.071
LGA    V    10_B      V    10_B     0.181     0    0.034   0.070     0.498  100.000  100.000
LGA    I    11_B      I    11_B     0.514     0    0.071   1.024     2.762   92.857   83.274
LGA    T    12_B      T    12_B     1.402     0    0.121   1.045     4.341   81.429   74.014
LGA    K    13_B      K    13_B     0.650     0    0.144   0.993     3.933   88.214   77.566
LGA    S    14_B      S    14_B     1.364     0    0.160   0.582     2.715   75.119   71.746
LGA    K    15_B      K    15_B     1.038     0    0.102   0.545     1.378   83.690   82.434
LGA    R    16_B      R    16_B     1.116     0    0.093   1.168     7.513   85.952   56.061
LGA    I    17_B      I    17_B     0.817     0    0.024   1.323     4.014   92.857   77.738
LGA    E    18_B      E    18_B     0.392     0    0.047   1.597     6.719   97.619   69.312
LGA    D    19_B      D    19_B     0.673     0    0.061   0.448     1.968   90.476   88.333
LGA    Y    20_B      Y    20_B     0.414     0    0.019   1.460     8.912   97.619   59.841
LGA    V    21_B      V    21_B     0.255     0    0.041   0.125     0.431  100.000  100.000
LGA    L    22_B      L    22_B     0.516     0    0.031   0.154     1.000   92.857   91.667
LGA    D    23_B      D    23_B     0.553     0    0.047   0.098     0.801   92.857   91.667
LGA    T    24_B      T    24_B     0.624     0    0.030   1.157     2.747   90.476   80.952
LGA    I    25_B      I    25_B     0.910     0    0.045   0.172     1.759   90.476   86.012
LGA    I    26_B      I    26_B     0.838     0    0.033   1.348     3.343   90.476   77.083
LGA    L    27_B      L    27_B     0.780     0    0.026   0.283     1.340   90.476   89.345
LGA    F    28_B      F    28_B     1.089     0    0.033   0.263     1.302   81.429   85.541
LGA    N    29_B      N    29_B     1.270     0    0.059   1.438     4.455   81.429   68.095
LGA    Q    30_B      Q    30_B     0.808     0    0.118   1.179     3.417   83.810   76.561
LGA    G    31_B      G    31_B     1.517     0    0.060   0.060     1.517   77.143   77.143
LGA    Y    32_B      Y    32_B     1.151     0    0.183   0.162     1.516   83.690   81.468
LGA    E    33_B      E    33_B     0.304     0    0.046   0.747     3.794  100.000   78.360
LGA    E    34_B      E    34_B     0.464     0    0.049   0.266     1.650   97.619   90.741
LGA    V    35_B      V    35_B     0.616     0    0.069   0.153     0.995   95.238   93.197
LGA    E    36_B      E    36_B     0.734     0    0.032   0.767     2.271   90.476   81.693
LGA    I    37_B      I    37_B     0.403     0    0.087   1.204     2.860   97.619   82.500
LGA    R    38_B      R    38_B     0.425     0    0.024   1.252     5.813  100.000   78.225
LGA    G    39_B      G    39_B     0.543     0    0.034   0.034     0.636   92.857   92.857
LGA    S    40_B      S    40_B     0.784     0    0.045   0.109     1.307   90.476   87.460
LGA    G    41_B      G    41_B     0.961     0    0.044   0.044     0.961   90.476   90.476
LGA    Q    42_B      Q    42_B     0.928     0    0.044   1.265     5.487   90.476   65.926
LGA    E    43_B      E    43_B     0.501     0    0.107   0.797     2.724   95.238   85.079
LGA    I    44_B      I    44_B     0.335     0    0.029   0.108     1.020  100.000   94.107
LGA    N    45_B      N    45_B     0.451     0    0.021   0.414     1.455   97.619   91.786
LGA    K    46_B      K    46_B     0.588     0    0.030   0.942     2.300   92.857   85.661
LGA    A    47_B      A    47_B     0.264     0    0.034   0.050     0.379  100.000  100.000
LGA    I    48_B      I    48_B     0.284     0    0.035   1.347     3.632   97.619   81.964
LGA    E    49_B      E    49_B     0.542     0    0.041   0.871     4.421   92.857   78.201
LGA    V    50_B      V    50_B     0.381     0    0.046   0.134     0.588  100.000   98.639
LGA    Y    51_B      Y    51_B     0.451     0    0.040   0.115     1.556   95.238   88.333
LGA    N    52_B      N    52_B     0.881     0    0.025   1.176     4.163   90.476   77.262
LGA    Q    53_B      Q    53_B     0.563     0    0.064   0.920     2.538   92.857   81.058
LGA    L    54_B      L    54_B     0.546     0    0.036   0.255     1.149   90.476   89.345
LGA    V    55_B      V    55_B     0.657     0    0.036   0.133     1.003   90.476   89.184
LGA    D    56_B      D    56_B     0.640     0    0.077   0.093     0.909   90.476   90.476
LGA    R    57_B      R    57_B     0.559     0    0.070   1.763     7.411   95.238   63.160
LGA    L    58_B      L    58_B     0.515     0    0.089   0.113     0.588   95.238   94.048
LGA    K    59_B      K    59_B     0.470     0    0.033   0.822     3.746   97.619   81.746
LGA    E    60_B      E    60_B     0.418     0    0.056   1.232     5.112  100.000   78.889
LGA    G    61_B      G    61_B     0.401     0    0.123   0.123     0.877   97.619   97.619
LGA    V    62_B      V    62_B     0.244     0    0.027   0.077     0.374  100.000  100.000
LGA    R    63_B      R    63_B     0.179     0    0.035   1.091     5.014  100.000   80.433
LGA    L    64_B      L    64_B     0.211     0    0.049   0.121     0.732  100.000   96.429
LGA    E    65_B      E    65_B     0.436     0    0.114   0.454     1.473   92.976   89.577
LGA    K    66_B      K    66_B     0.970     0    0.097   0.914     6.263   90.476   66.402
LGA    V    67_B      V    67_B     0.582     0    0.060   1.102     2.571   90.476   82.041
LGA    D    68_B      D    68_B     0.968     0    0.041   0.472     2.297   90.476   82.798
LGA    I    69_B      I    69_B     0.768     0    0.052   0.176     1.207   90.476   89.345
LGA    G    70_B      G    70_B     0.625     0    0.066   0.066     0.766   90.476   90.476
LGA    S    71_B      S    71_B     0.381     0    0.041   0.647     2.398  100.000   94.127
LGA    E    72_B      E    72_B     0.668     0    0.053   0.678     3.357   90.476   82.011
LGA    V    73_B      V    73_B     1.410     0    0.043   0.893     2.855   71.190   69.660
LGA    K    74_B      K    74_B     2.893     0    0.377   0.778     5.271   47.857   42.804
LGA    D    75_B      D    75_B     3.492     0    0.183   1.292     8.473   55.357   37.738
LGA    R    76_B      R    76_B     1.939     0    0.051   1.691     6.268   75.476   50.390
LGA    R    77_B      R    77_B     1.306     0    0.073   1.177     6.354   83.690   59.091
LGA    R    78_B      R    78_B     0.601     0    0.041   1.836    10.205   83.810   52.857
LGA    I    79_B      I    79_B     1.527     0    0.073   1.070     3.064   81.548   72.321
LGA    S    80_B      S    80_B     0.920     0    0.051   0.624     1.592   88.214   86.032
LGA    Y    81_B      Y    81_B     0.603     0    0.035   0.243     1.777   90.476   85.278
LGA    I    82_B      I    82_B     0.604     0    0.024   0.126     0.934   92.857   91.667
LGA    L    83_B      L    83_B     0.786     0    0.046   1.251     4.660   88.214   75.536
LGA    L    84_B      L    84_B     0.796     0    0.043   1.074     2.996   88.214   80.833
LGA    R    85_B      R    85_B     0.659     0    0.028   0.562     3.965   90.476   79.091
LGA    L    86_B      L    86_B     0.184     0    0.021   0.110     0.810  100.000   96.429
LGA    K    87_B      K    87_B     0.430     0    0.094   0.195     1.221   97.619   93.704
LGA    R    88_B      R    88_B     0.977     0    0.037   1.293     4.712   88.214   73.160
LGA    I    89_B      I    89_B     1.478     0    0.047   1.065     3.841   81.429   70.952
LGA    Y    90_B      Y    90_B     0.748     0    0.486   0.546     2.898   88.214   76.190

# 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):     0.996          1.025                  2.166           89.758   80.283

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   86   86    4.0     86    1.00    94.186    97.435     7.847

LGA_LOCAL      RMSD:   0.996  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.996  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.996  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.095566 * X  +   0.466370 * Y  +   0.879413 * Z  + -38.368084
  Y_new =  -0.933626 * X  +   0.264436 * Y  +  -0.241693 * Z  + -25.951569
  Z_new =  -0.345266 * X  +  -0.844140 * Y  +   0.410144 * Z  +   3.469601 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.672801  0.352523 -1.118515   [DEG:  -95.8444   20.1981  -64.0862 ]
ZXZ:  1.302584  1.148184 -2.753339   [DEG:   74.6326   65.7861 -157.7547 ]
 
# END of job
