
#######################################################
#                                                     #
#                        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        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.66     1.32
  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    5    8   12   24   67   84   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    4    5    9    9   12   35   54   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86      3   11   48   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     41   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     61   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86      4   55   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     61   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86     32   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     32   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     42   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     61   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      7   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      7   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86     35   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86     32   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86      3    3   60   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86     56   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     40   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     40   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     63   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     60   81   82   83   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86     63   81   82   83   84   84   84   84   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     63     81     82     83     84     84     84     84     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  73.26  94.19  95.35  96.51  97.67  97.67  97.67  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
GDT RMS_LOCAL    0.32   0.45   0.48   0.56   0.66   0.66   0.66   0.66   1.01   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28
GDT RMS_ALL_AT   1.34   1.33   1.33   1.32   1.32   1.32   1.32   1.32   1.29   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28

# 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    33_B      E    33_B
#   possible swapping detected:  E    36_B      E    36_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     7.276     0    0.536   0.947    14.236   11.905    6.032
LGA    P     6_B      P     6_B     7.756     0    0.618   0.673    10.535   11.190    6.667
LGA    N     7_B      N     7_B     2.733     0    0.486   0.509     3.823   63.690   68.512
LGA    E     8_B      E     8_B     0.747     0    0.208   0.758     5.875   92.976   63.016
LGA    I     9_B      I     9_B     0.203     0    0.054   0.126     1.266   97.619   91.786
LGA    V    10_B      V    10_B     0.294     0    0.032   1.080     2.832   97.619   87.279
LGA    I    11_B      I    11_B     0.620     0    0.000   1.108     2.395   92.857   83.214
LGA    T    12_B      T    12_B     1.377     0    0.092   1.066     4.246   85.952   77.959
LGA    K    13_B      K    13_B     0.444     0    0.126   0.668     3.549   95.238   78.995
LGA    S    14_B      S    14_B     0.558     0    0.110   0.122     1.181   90.595   90.556
LGA    K    15_B      K    15_B     0.404     0    0.130   0.849     1.949   92.976   86.720
LGA    R    16_B      R    16_B     0.384     0    0.051   0.830     4.810  100.000   74.632
LGA    I    17_B      I    17_B     0.170     0    0.053   1.450     4.582  100.000   83.631
LGA    E    18_B      E    18_B     0.248     0    0.079   1.493     6.050  100.000   75.026
LGA    D    19_B      D    19_B     0.376     0    0.043   0.970     3.179  100.000   85.000
LGA    Y    20_B      Y    20_B     0.266     0    0.053   0.251     1.371  100.000   94.484
LGA    V    21_B      V    21_B     0.121     0    0.000   0.120     0.569  100.000   98.639
LGA    L    22_B      L    22_B     0.421     0    0.047   1.053     3.132  100.000   86.012
LGA    D    23_B      D    23_B     0.515     0    0.023   0.193     1.468   97.619   91.786
LGA    T    24_B      T    24_B     0.346     0    0.034   1.117     2.644  100.000   88.844
LGA    I    25_B      I    25_B     0.297     0    0.025   0.173     0.604  100.000   98.810
LGA    I    26_B      I    26_B     0.235     0    0.034   0.915     2.731  100.000   86.845
LGA    L    27_B      L    27_B     0.355     0    0.039   0.245     0.761   97.619   96.429
LGA    F    28_B      F    28_B     0.299     0    0.041   0.253     1.199  100.000   96.580
LGA    N    29_B      N    29_B     0.641     0    0.057   0.966     3.722   90.595   77.560
LGA    Q    30_B      Q    30_B     0.891     0    0.092   1.169     3.935   85.952   72.116
LGA    G    31_B      G    31_B     0.967     0    0.044   0.044     0.967   90.476   90.476
LGA    Y    32_B      Y    32_B     0.513     0    0.065   0.205     1.604   92.857   87.619
LGA    E    33_B      E    33_B     0.483     0    0.046   1.169     4.378   97.619   73.704
LGA    E    34_B      E    34_B     0.274     0    0.045   0.587     2.205  100.000   84.339
LGA    V    35_B      V    35_B     0.371     0    0.059   0.089     0.743  100.000   95.918
LGA    E    36_B      E    36_B     0.352     0    0.036   0.656     2.701   97.619   82.381
LGA    I    37_B      I    37_B     0.198     0    0.072   1.182     3.366  100.000   85.000
LGA    R    38_B      R    38_B     0.198     0    0.020   1.056     6.459  100.000   72.164
LGA    G    39_B      G    39_B     0.034     0    0.014   0.014     0.172  100.000  100.000
LGA    S    40_B      S    40_B     0.401     0    0.051   0.637     1.713  100.000   93.889
LGA    G    41_B      G    41_B     0.180     0    0.045   0.045     0.401  100.000  100.000
LGA    Q    42_B      Q    42_B     0.402     0    0.073   1.497     6.112   97.619   73.915
LGA    E    43_B      E    43_B     0.173     0    0.087   0.268     1.138  100.000   93.704
LGA    I    44_B      I    44_B     0.265     0    0.000   0.103     0.375  100.000  100.000
LGA    N    45_B      N    45_B     0.366     0    0.000   0.369     1.478  100.000   94.167
LGA    K    46_B      K    46_B     0.254     0    0.041   0.680     3.893  100.000   86.772
LGA    A    47_B      A    47_B     0.237     0    0.037   0.060     0.365  100.000  100.000
LGA    I    48_B      I    48_B     0.145     0    0.050   0.177     1.131  100.000   96.488
LGA    E    49_B      E    49_B     0.164     0    0.030   0.681     2.059  100.000   89.894
LGA    V    50_B      V    50_B     0.114     0    0.034   0.118     0.494  100.000  100.000
LGA    Y    51_B      Y    51_B     0.150     0    0.043   0.086     1.228  100.000   93.690
LGA    N    52_B      N    52_B     0.241     0    0.016   0.176     0.502  100.000   98.810
LGA    Q    53_B      Q    53_B     0.082     0    0.033   0.999     3.601  100.000   87.672
LGA    L    54_B      L    54_B     0.347     0    0.034   1.330     3.101  100.000   85.000
LGA    V    55_B      V    55_B     0.432     0    0.025   1.237     2.866  100.000   88.844
LGA    D    56_B      D    56_B     0.385     0    0.082   0.245     1.741   97.619   90.714
LGA    R    57_B      R    57_B     0.299     0    0.000   1.712     9.234  100.000   58.355
LGA    L    58_B      L    58_B     0.378     0    0.077   0.109     0.455  100.000  100.000
LGA    K    59_B      K    59_B     0.465     0    0.029   0.856     3.065  100.000   84.550
LGA    E    60_B      E    60_B     0.463     0    0.050   0.813     2.891  100.000   84.444
LGA    G    61_B      G    61_B     0.297     0    0.136   0.136     0.614   97.619   97.619
LGA    V    62_B      V    62_B     0.229     0    0.030   0.086     0.349  100.000  100.000
LGA    R    63_B      R    63_B     0.353     0    0.050   1.400     7.429  100.000   66.580
LGA    L    64_B      L    64_B     0.331     0    0.032   0.112     0.511   97.619   98.810
LGA    E    65_B      E    65_B     0.409     0    0.116   1.349     5.881   92.976   69.894
LGA    K    66_B      K    66_B     0.985     0    0.083   0.862     2.322   92.857   82.857
LGA    V    67_B      V    67_B     0.472     0    0.000   0.062     0.637   97.619   95.918
LGA    D    68_B      D    68_B     0.237     0    0.044   0.230     1.193  100.000   95.298
LGA    I    69_B      I    69_B     0.279     0    0.000   1.246     3.286  100.000   82.143
LGA    G    70_B      G    70_B     0.716     0    0.079   0.079     0.716   90.476   90.476
LGA    S    71_B      S    71_B     0.439     0    0.043   0.113     0.839   95.238   96.825
LGA    E    72_B      E    72_B     0.830     0    0.048   0.798     3.051   85.952   76.402
LGA    V    73_B      V    73_B     1.137     0    0.097   1.154     2.780   81.429   75.578
LGA    K    74_B      K    74_B     1.014     0    0.338   1.271     3.188   75.833   72.910
LGA    D    75_B      D    75_B     0.695     0    0.505   0.963     3.521   88.452   75.060
LGA    R    76_B      R    76_B     3.061     0    0.382   1.367     8.165   67.262   36.364
LGA    R    77_B      R    77_B     0.668     0    0.174   0.595     3.965   90.595   65.628
LGA    R    78_B      R    78_B     0.379     0    0.037   0.740     4.658  100.000   75.498
LGA    I    79_B      I    79_B     0.667     0    0.055   1.156     3.151   92.857   83.274
LGA    S    80_B      S    80_B     0.667     0    0.022   0.073     1.105   95.238   92.143
LGA    Y    81_B      Y    81_B     0.539     0    0.031   0.126     0.939   92.857   91.270
LGA    I    82_B      I    82_B     0.328     0    0.021   0.089     0.503  100.000   98.810
LGA    L    83_B      L    83_B     0.278     0    0.000   1.383     3.071   97.619   81.726
LGA    L    84_B      L    84_B     0.530     0    0.083   0.103     0.946   92.857   92.857
LGA    R    85_B      R    85_B     0.474     0    0.022   1.281     5.710   97.619   73.290
LGA    L    86_B      L    86_B     0.200     0    0.000   0.073     0.951   97.619   95.238
LGA    K    87_B      K    87_B     0.313     0    0.062   0.179     0.903  100.000   96.825
LGA    R    88_B      R    88_B     0.324     0    0.052   0.354     1.459   97.619   94.848
LGA    I    89_B      I    89_B     0.688     0    0.044   0.653     1.732   95.238   88.393
LGA    Y    90_B      Y    90_B     0.398     0    0.141   0.289     1.749   95.238   88.333

# 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):     1.278          1.227                  2.195           94.034   84.308

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     84    0.66    97.093    98.343    11.091

LGA_LOCAL      RMSD:   0.657  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.318  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.278  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.530819 * X  +  -0.433859 * Y  +  -0.728009 * Z  + -166.716949
  Y_new =  -0.668212 * X  +  -0.314106 * Y  +   0.674411 * Z  + -110.528648
  Z_new =  -0.521272 * X  +   0.844455 * Y  +  -0.123176 * Z  + 210.493805 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.242106  0.548340  1.715639   [DEG: -128.4632   31.4176   98.2989 ]
ZXZ: -2.317995  1.694286 -0.553034   [DEG: -132.8113   97.0754  -31.6865 ]
 
# END of job
