
#######################################################
#                                                     #
#                        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        0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.86     0.86
  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   37   74   82   86   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     13   40   79   82   86   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     21   75   80   82   86   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   75   80   82   86   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     29   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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   74   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     58   75   80   82   86   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     59   75   80   82   86   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     47   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     56   75   80   82   86   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     58   75   80   82   86   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     56   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     57   75   80   82   86   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     29   75   80   82   86   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     42   75   80   82   86   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     29   75   80   82   86   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     59   75   80   82   86   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      7   15   80   82   86   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      8   10   22   31   86   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      8   10   22   31   86   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      7   12   22   31   86   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      8   12   22   76   86   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     28   70   80   82   86   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     38   71   80   82   86   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     33   75   80   82   86   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     29   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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     59   75   80   82   86   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      3   71   80   82   86   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     59     75     80     82     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  68.60  87.21  93.02  95.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.40   0.54   0.63   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86
GDT RMS_ALL_AT   0.92   0.95   0.91   0.89   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  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     1.834     0    0.595   0.664    11.662   72.024   40.899
LGA    P     6_B      P     6_B     1.907     0    0.015   0.322     3.575   75.000   65.374
LGA    N     7_B      N     7_B     0.762     0    0.042   0.122     1.485   92.976   89.464
LGA    E     8_B      E     8_B     0.922     0    0.091   0.840     6.181   86.190   63.757
LGA    I     9_B      I     9_B     1.135     0    0.133   0.128     1.454   81.429   81.429
LGA    V    10_B      V    10_B     0.727     0    0.041   0.082     1.172   90.476   89.184
LGA    I    11_B      I    11_B     0.381     0    0.054   0.123     0.786   95.238   97.619
LGA    T    12_B      T    12_B     0.714     0    0.093   0.128     1.179   92.857   87.959
LGA    K    13_B      K    13_B     0.362     0    0.117   0.874     4.494   95.238   81.058
LGA    S    14_B      S    14_B     1.219     0    0.108   0.111     1.652   81.548   81.508
LGA    K    15_B      K    15_B     0.127     0    0.114   0.669     1.674   95.238   86.772
LGA    R    16_B      R    16_B     0.178     0    0.037   0.152     1.308  100.000   93.203
LGA    I    17_B      I    17_B     0.398     0    0.029   0.160     0.762  100.000   97.619
LGA    E    18_B      E    18_B     0.439     0    0.032   0.088     0.510  100.000   98.942
LGA    D    19_B      D    19_B     0.543     0    0.040   0.168     0.982   95.238   92.857
LGA    Y    20_B      Y    20_B     0.326     0    0.019   0.116     0.530  100.000   99.206
LGA    V    21_B      V    21_B     0.255     0    0.011   0.039     0.310  100.000  100.000
LGA    L    22_B      L    22_B     0.306     0    0.049   1.359     3.069  100.000   85.000
LGA    D    23_B      D    23_B     0.290     0    0.015   0.178     0.485  100.000  100.000
LGA    T    24_B      T    24_B     0.228     0    0.009   0.036     0.426  100.000  100.000
LGA    I    25_B      I    25_B     0.145     0    0.034   0.140     0.688  100.000   98.810
LGA    I    26_B      I    26_B     0.073     0    0.030   0.044     0.428  100.000  100.000
LGA    L    27_B      L    27_B     0.236     0    0.022   0.105     0.468  100.000  100.000
LGA    F    28_B      F    28_B     0.322     0    0.017   0.176     0.626  100.000   97.403
LGA    N    29_B      N    29_B     0.419     0    0.026   1.402     4.471   97.619   78.512
LGA    Q    30_B      Q    30_B     0.380     0    0.034   0.044     0.516   95.238   97.884
LGA    G    31_B      G    31_B     0.896     0    0.028   0.028     1.067   88.214   88.214
LGA    Y    32_B      Y    32_B     0.676     0    0.132   0.172     1.218   88.214   91.310
LGA    E    33_B      E    33_B     0.632     0    0.013   0.717     2.628   90.476   80.053
LGA    E    34_B      E    34_B     0.163     0    0.024   0.365     1.839  100.000   93.810
LGA    V    35_B      V    35_B     0.342     0    0.047   0.048     0.484  100.000  100.000
LGA    E    36_B      E    36_B     0.303     0    0.056   0.120     0.931  100.000   95.767
LGA    I    37_B      I    37_B     0.596     0    0.017   0.051     0.764   92.857   91.667
LGA    R    38_B      R    38_B     0.594     0    0.083   0.246     1.286   92.857   89.697
LGA    G    39_B      G    39_B     0.474     0    0.030   0.030     0.549   97.619   97.619
LGA    S    40_B      S    40_B     0.739     0    0.095   0.641     1.951   90.476   86.032
LGA    G    41_B      G    41_B     0.348     0    0.034   0.034     0.536   97.619   97.619
LGA    Q    42_B      Q    42_B     0.210     0    0.033   0.734     2.173  100.000   94.021
LGA    E    43_B      E    43_B     0.368     0    0.031   0.838     2.809  100.000   86.402
LGA    I    44_B      I    44_B     0.264     0    0.031   0.087     0.388  100.000  100.000
LGA    N    45_B      N    45_B     0.271     0    0.033   0.899     3.150  100.000   83.988
LGA    K    46_B      K    46_B     0.310     0    0.018   0.068     0.450  100.000  100.000
LGA    A    47_B      A    47_B     0.091     0    0.016   0.017     0.177  100.000  100.000
LGA    I    48_B      I    48_B     0.101     0    0.037   0.662     2.015  100.000   95.595
LGA    E    49_B      E    49_B     0.134     0    0.038   0.692     2.022  100.000   94.021
LGA    V    50_B      V    50_B     0.155     0    0.020   0.042     0.341  100.000  100.000
LGA    Y    51_B      Y    51_B     0.048     0    0.028   0.073     0.526  100.000   99.206
LGA    N    52_B      N    52_B     0.275     0    0.072   0.117     0.450  100.000  100.000
LGA    Q    53_B      Q    53_B     0.239     0    0.031   0.176     0.557  100.000   98.942
LGA    L    54_B      L    54_B     0.077     0    0.012   0.032     0.144  100.000  100.000
LGA    V    55_B      V    55_B     0.142     0    0.040   0.058     0.361  100.000  100.000
LGA    D    56_B      D    56_B     0.227     0    0.018   0.779     2.973  100.000   85.893
LGA    R    57_B      R    57_B     0.340     0    0.015   1.412     9.240   97.619   55.801
LGA    L    58_B      L    58_B     0.335     0    0.011   0.047     0.522  100.000   98.810
LGA    K    59_B      K    59_B     0.424     0    0.010   1.132     4.481  100.000   80.212
LGA    E    60_B      E    60_B     0.303     0    0.051   0.832     2.896  100.000   86.402
LGA    G    61_B      G    61_B     0.262     0    0.057   0.057     0.317  100.000  100.000
LGA    V    62_B      V    62_B     0.111     0    0.045   0.046     0.330  100.000  100.000
LGA    R    63_B      R    63_B     0.212     0    0.035   1.139     5.949  100.000   77.532
LGA    L    64_B      L    64_B     0.188     0    0.019   0.079     0.473  100.000  100.000
LGA    E    65_B      E    65_B     0.330     0    0.035   0.078     0.690  100.000   95.767
LGA    K    66_B      K    66_B     0.397     0    0.045   0.799     4.521  100.000   82.434
LGA    V    67_B      V    67_B     0.761     0    0.027   0.033     1.046   88.214   89.184
LGA    D    68_B      D    68_B     1.160     0    0.047   0.137     1.746   81.429   80.357
LGA    I    69_B      I    69_B     0.984     0    0.029   0.044     1.332   83.690   83.690
LGA    G    70_B      G    70_B     1.334     0    0.042   0.042     1.334   85.952   85.952
LGA    S    71_B      S    71_B     0.703     0    0.084   0.640     3.037   86.071   80.794
LGA    E    72_B      E    72_B     1.508     0    0.097   0.693     3.759   81.667   64.974
LGA    V    73_B      V    73_B     2.539     0    0.076   0.084     3.834   55.595   52.245
LGA    K    74_B      K    74_B     2.657     0    0.046   0.881     5.278   64.881   52.593
LGA    D    75_B      D    75_B     2.640     0    0.029   0.863     5.621   62.976   50.179
LGA    R    76_B      R    76_B     2.693     0    0.078   1.025     4.272   60.952   54.199
LGA    R    77_B      R    77_B     1.151     0    0.027   0.739     3.424   81.548   76.450
LGA    R    78_B      R    78_B     0.998     0    0.038   0.334     5.577   85.952   60.390
LGA    I    79_B      I    79_B     1.384     0    0.193   1.112     3.135   83.690   72.440
LGA    S    80_B      S    80_B     1.053     0    0.019   0.062     1.700   88.333   84.603
LGA    Y    81_B      Y    81_B     0.666     0    0.015   0.125     1.689   90.476   85.278
LGA    I    82_B      I    82_B     0.465     0    0.020   0.046     0.479  100.000  100.000
LGA    L    83_B      L    83_B     0.523     0    0.060   0.082     0.937   92.857   91.667
LGA    L    84_B      L    84_B     0.285     0    0.057   0.081     0.682   97.619   98.810
LGA    R    85_B      R    85_B     0.200     0    0.056   1.216     7.284  100.000   67.143
LGA    L    86_B      L    86_B     0.238     0    0.018   0.061     0.475  100.000  100.000
LGA    K    87_B      K    87_B     0.328     0    0.028   0.252     1.338  100.000   94.815
LGA    R    88_B      R    88_B     0.606     0    0.032   1.182     9.139   92.857   53.550
LGA    I    89_B      I    89_B     0.643     0    0.656   0.787     2.996   82.143   82.143
LGA    Y    90_B      Y    90_B     1.251     0    0.077   1.498     5.354   61.071   49.960

# 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):     0.858          0.921                  1.846           92.910   86.543

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.86    95.640    98.144     8.977

LGA_LOCAL      RMSD:   0.858  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.858  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.858  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.340731 * X  +   0.542967 * Y  +   0.767522 * Z  +   8.573442
  Y_new =   0.327691 * X  +  -0.696591 * Y  +   0.638263 * Z  +   9.645741
  Z_new =   0.881204 * X  +   0.468985 * Y  +   0.059425 * Z  +  -3.314735 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.375701 -1.078404  1.444758   [DEG:  136.1176  -61.7880   82.7786 ]
ZXZ:  2.264505  1.511336  1.081714   [DEG:  129.7466   86.5932   61.9777 ]
 
# END of job
