
#######################################################
#                                                     #
#                        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        1.31     1.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.31     1.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.81     1.34
  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      0    3    3    3    3    6   81   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      1    3    3    6    7    8   27   36   82   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86      3   35   59   83   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     27   73   81   83   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     44   77   81   83   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     44   77   81   83   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     26   77   81   83   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     26   71   81   83   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     42   77   81   83   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     44   77   81   83   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     44   77   81   83   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     27   77   81   83   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     44   77   81   83   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     44   77   81   83   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     37   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     42   77   81   83   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     44   77   81   83   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     25   77   81   83   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     36   77   81   83   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     44   77   81   83   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     22   77   81   83   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     19   77   81   83   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     21   77   81   83   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      8   77   81   83   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     22   77   81   83   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      7   77   81   83   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     44   77   81   83   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     32   77   81   83   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     35   77   81   83   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     42   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     37   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     27   77   81   83   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     27   77   81   83   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     44   77   81   83   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     36   77   81   83   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     40   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     36   77   81   83   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     39   77   81   83   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     44   77   81   83   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     36   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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   77   81   83   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      7   23   81   83   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      7   12   60   83   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   12   60   83   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      7   23   81   83   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     38   77   81   83   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     44   77   81   83   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     26   77   81   83   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     37   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     36   77   81   83   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     39   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     44   77   81   83   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     39   77   81   83   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     44     77     81     83     84     84     84     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  51.16  89.53  94.19  96.51  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    0.36   0.57   0.66   0.76   0.81   0.81   0.81   1.03   1.03   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31
GDT RMS_ALL_AT   1.42   1.40   1.37   1.35   1.34   1.34   1.34   1.32   1.32   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31

# Checking swapping
#   possible swapping detected:  Y    20_B      Y    20_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     5.870     0    0.145   0.822    13.941   24.762   12.328
LGA    P     6_B      P     6_B     7.730     0    0.666   0.792    10.076   13.810    8.980
LGA    N     7_B      N     7_B     2.416     0    0.543   1.301     4.921   65.595   58.690
LGA    E     8_B      E     8_B     1.022     0    0.116   0.181     4.304   85.952   65.714
LGA    I     9_B      I     9_B     0.353     0    0.078   0.611     2.698   90.595   87.560
LGA    V    10_B      V    10_B     0.491     0    0.016   0.054     1.020   92.976   91.905
LGA    I    11_B      I    11_B     0.919     0    0.042   0.050     1.350   85.952   85.952
LGA    T    12_B      T    12_B     1.256     0    0.090   0.184     2.039   81.429   76.599
LGA    K    13_B      K    13_B     0.537     0    0.049   0.623     1.863   92.857   88.571
LGA    S    14_B      S    14_B     0.560     0    0.125   0.217     0.924   90.476   90.476
LGA    K    15_B      K    15_B     0.606     0    0.132   0.607     2.511   88.214   85.026
LGA    R    16_B      R    16_B     0.896     0    0.073   0.983     3.764   90.476   75.887
LGA    I    17_B      I    17_B     0.622     0    0.034   0.693     2.391   90.476   87.262
LGA    E    18_B      E    18_B     0.817     0    0.064   1.080     4.663   90.476   70.794
LGA    D    19_B      D    19_B     1.053     0    0.016   0.187     1.926   88.214   81.607
LGA    Y    20_B      Y    20_B     0.695     0    0.033   0.041     1.488   90.476   86.706
LGA    V    21_B      V    21_B     0.198     0    0.025   0.053     0.409  100.000  100.000
LGA    L    22_B      L    22_B     0.659     0    0.028   0.137     1.726   92.857   85.000
LGA    D    23_B      D    23_B     0.855     0    0.018   0.035     1.357   90.476   85.952
LGA    T    24_B      T    24_B     0.639     0    0.034   0.046     0.777   90.476   93.197
LGA    I    25_B      I    25_B     0.852     0    0.030   0.125     1.526   90.476   86.012
LGA    I    26_B      I    26_B     0.848     0    0.036   0.067     1.160   90.476   88.214
LGA    L    27_B      L    27_B     0.643     0    0.024   0.125     0.893   90.476   91.667
LGA    F    28_B      F    28_B     0.931     0    0.032   0.177     1.147   85.952   88.918
LGA    N    29_B      N    29_B     1.098     0    0.095   1.406     4.194   81.548   67.381
LGA    Q    30_B      Q    30_B     0.859     0    0.140   0.956     5.105   90.476   70.159
LGA    G    31_B      G    31_B     1.051     0    0.051   0.051     1.061   85.952   85.952
LGA    Y    32_B      Y    32_B     1.010     0    0.277   0.309     1.797   83.810   82.222
LGA    E    33_B      E    33_B     0.803     0    0.238   1.103     6.316   92.857   63.069
LGA    E    34_B      E    34_B     0.520     0    0.013   0.824     2.697   92.857   79.259
LGA    V    35_B      V    35_B     0.633     0    0.059   1.142     2.672   92.857   84.558
LGA    E    36_B      E    36_B     0.725     0    0.046   0.156     0.864   90.476   91.534
LGA    I    37_B      I    37_B     0.474     0    0.046   0.056     0.955   97.619   94.048
LGA    R    38_B      R    38_B     0.479     0    0.017   0.669     2.090   97.619   86.797
LGA    G    39_B      G    39_B     0.489     0    0.016   0.016     0.555   95.238   95.238
LGA    S    40_B      S    40_B     0.745     0    0.035   0.667     1.390   90.476   87.460
LGA    G    41_B      G    41_B     0.577     0    0.046   0.046     0.648   95.238   95.238
LGA    Q    42_B      Q    42_B     0.605     0    0.056   0.668     2.565   92.857   81.005
LGA    E    43_B      E    43_B     0.379     0    0.028   0.970     3.673  100.000   84.233
LGA    I    44_B      I    44_B     0.128     0    0.025   0.030     0.639  100.000   98.810
LGA    N    45_B      N    45_B     0.454     0    0.039   0.819     3.449  100.000   82.798
LGA    K    46_B      K    46_B     0.228     0    0.014   0.724     3.889  100.000   80.476
LGA    A    47_B      A    47_B     0.122     0    0.021   0.023     0.312  100.000  100.000
LGA    I    48_B      I    48_B     0.365     0    0.037   0.063     0.533   97.619   98.810
LGA    E    49_B      E    49_B     0.465     0    0.025   0.640     1.811   97.619   91.746
LGA    V    50_B      V    50_B     0.263     0    0.028   0.043     0.382  100.000  100.000
LGA    Y    51_B      Y    51_B     0.537     0    0.041   0.203     2.534   92.857   81.151
LGA    N    52_B      N    52_B     0.805     0    0.024   0.058     1.383   90.476   85.952
LGA    Q    53_B      Q    53_B     0.411     0    0.032   1.380     4.639   97.619   78.783
LGA    L    54_B      L    54_B     0.355     0    0.021   0.207     0.964  100.000   98.810
LGA    V    55_B      V    55_B     0.637     0    0.018   0.058     0.922   90.476   90.476
LGA    D    56_B      D    56_B     0.758     0    0.028   0.791     2.875   88.214   77.798
LGA    R    57_B      R    57_B     0.830     0    0.059   1.625     8.953   88.214   52.814
LGA    L    58_B      L    58_B     0.513     0    0.026   0.031     0.721   92.857   95.238
LGA    K    59_B      K    59_B     0.752     0    0.037   1.096     4.440   92.857   74.180
LGA    E    60_B      E    60_B     0.742     0    0.088   0.840     3.676   90.476   77.037
LGA    G    61_B      G    61_B     0.683     0    0.036   0.036     0.704   90.476   90.476
LGA    V    62_B      V    62_B     0.373     0    0.022   0.059     0.569  100.000   98.639
LGA    R    63_B      R    63_B     0.280     0    0.045   1.332     4.784  100.000   78.485
LGA    L    64_B      L    64_B     0.238     0    0.044   0.108     0.567   97.619   98.810
LGA    E    65_B      E    65_B     0.621     0    0.105   0.250     1.916   97.619   88.677
LGA    K    66_B      K    66_B     0.384     0    0.068   0.889     3.513   97.619   85.556
LGA    V    67_B      V    67_B     0.163     0    0.050   1.062     2.373  100.000   89.932
LGA    D    68_B      D    68_B     0.619     0    0.026   0.859     4.139   92.857   76.667
LGA    I    69_B      I    69_B     0.607     0    0.010   0.046     1.325   90.476   88.214
LGA    G    70_B      G    70_B     0.739     0    0.055   0.055     0.792   90.476   90.476
LGA    S    71_B      S    71_B     0.599     0    0.033   0.680     2.438   90.476   87.778
LGA    E    72_B      E    72_B     0.910     0    0.019   0.687     2.464   88.214   77.037
LGA    V    73_B      V    73_B     1.595     0    0.035   0.079     2.739   69.048   67.279
LGA    K    74_B      K    74_B     2.191     0    0.028   0.901     5.120   68.810   55.185
LGA    D    75_B      D    75_B     2.443     0    0.062   0.837     5.044   66.786   52.381
LGA    R    76_B      R    76_B     1.645     0    0.016   1.292     4.376   77.143   66.970
LGA    R    77_B      R    77_B     0.423     0    0.063   1.091     6.686   97.619   70.173
LGA    R    78_B      R    78_B     0.530     0    0.049   1.142     6.952   92.857   64.632
LGA    I    79_B      I    79_B     1.047     0    0.148   1.131     2.764   83.690   75.357
LGA    S    80_B      S    80_B     0.818     0    0.017   0.039     1.067   90.476   88.968
LGA    Y    81_B      Y    81_B     0.518     0    0.019   0.202     1.337   92.857   88.254
LGA    I    82_B      I    82_B     0.364     0    0.011   0.100     0.473  100.000  100.000
LGA    L    83_B      L    83_B     0.379     0    0.040   0.070     0.868   95.238   94.048
LGA    L    84_B      L    84_B     0.619     0    0.091   0.149     1.027   88.214   89.345
LGA    R    85_B      R    85_B     0.540     0    0.046   1.069     6.172   95.238   66.753
LGA    L    86_B      L    86_B     0.174     0    0.040   1.029     2.319  100.000   90.000
LGA    K    87_B      K    87_B     0.409     0    0.026   0.166     1.085  100.000   95.820
LGA    R    88_B      R    88_B     0.487     0    0.015   0.988     5.042   95.238   74.286
LGA    I    89_B      I    89_B     0.624     0    0.055   0.077     0.808   90.476   90.476
LGA    Y    90_B      Y    90_B     0.819     0    0.677   1.557    10.804   81.667   43.532

# 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):     1.312          1.254                  2.257           89.701   81.515

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   86   86    4.0     85    1.03    96.221    97.950     7.506

LGA_LOCAL      RMSD:   1.032  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.322  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.312  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.264592 * X  +   0.151664 * Y  +  -0.952360 * Z  +  27.585304
  Y_new =  -0.166734 * X  +   0.965489 * Y  +   0.200079 * Z  + -46.681236
  Z_new =   0.949837 * X  +   0.211730 * Y  +  -0.230173 * Z  +   6.850185 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.579293 -1.252715  2.397904   [DEG: -147.7826  -71.7753  137.3898 ]
ZXZ: -1.777872  1.803051  1.351470   [DEG: -101.8646  103.3072   77.4335 ]
 
# END of job
