
#######################################################
#                                                     #
#                        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 (  612),  selected   86 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.26     1.26
  LCS_AVERAGE:     98.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.26     1.26
  LCS_AVERAGE:     98.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.91     1.28
  LCS_AVERAGE:     96.61

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     S     2_A     S     2_A      3   86   86      0    3    3    4    4    5   22   27   48   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A     3_A     A     3_A     85   86   86      3    3    4    4    4    5   14   39   69   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D     4_A     D     4_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L     5_A     L     5_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A     6_A     A     6_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     H     7_A     H     7_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G     8_A     G     8_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K     9_A     K     9_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    10_A     A    10_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_A     I    11_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    12_A     F    12_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    13_A     A    13_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    14_A     G    14_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    15_A     N    15_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     C    16_A     C    16_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    17_A     A    17_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    18_A     A    18_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     C    19_A     C    19_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     H    20_A     H    20_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    21_A     N    21_A     85   86   86     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    22_A     G    22_A     85   86   86     26   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    23_A     G    23_A     85   86   86     67   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    24_A     L    24_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    25_A     N    25_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    26_A     A    26_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    27_A     I    27_A     85   86   86     19   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    28_A     N    28_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P    29_A     P    29_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    30_A     S    30_A     85   86   86     58   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    31_A     K    31_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    32_A     T    32_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    33_A     L    33_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    34_A     K    34_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     M    35_A     M    35_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    36_A     A    36_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    37_A     D    37_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    38_A     L    38_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    39_A     E    39_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    40_A     A    40_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    41_A     N    41_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    42_A     G    42_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    43_A     K    43_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    44_A     N    44_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    45_A     S    45_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    46_A     V    46_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_A     A    47_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    48_A     A    48_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    49_A     I    49_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_A     V    50_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    51_A     A    51_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    52_A     Q    52_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    53_A     I    53_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    54_A     T    54_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    55_A     N    55_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    56_A     G    56_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    57_A     N    57_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    58_A     G    58_A     85   86   86     28   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    59_A     A    59_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     M    60_A     M    60_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P    61_A     P    61_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    62_A     G    62_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    63_A     F    63_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    64_A     K    64_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    65_A     G    65_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    66_A     R    66_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    67_A     I    67_A     85   86   86     23   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    68_A     S    68_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    69_A     D    69_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    70_A     S    70_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    71_A     D    71_A     85   86   86     72   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     M    72_A     M    72_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    73_A     E    73_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    74_A     D    74_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    75_A     V    75_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    76_A     A    76_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    77_A     A    77_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    78_A     Y    78_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    79_A     V    79_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    80_A     L    80_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    81_A     D    81_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    82_A     Q    82_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    83_A     A    83_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    84_A     E    84_A     85   86   86     73   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    85_A     K    85_A     85   86   86     33   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    86_A     G    86_A     85   86   86      4   76   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     W    87_A     W    87_A     85   86   86     10   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.10  (  96.61   98.85   98.85 )

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     73     83     84     84     84     84     84     84     84     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  83.91  95.40  96.55  96.55  96.55  96.55  96.55  96.55  96.55  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85
GDT RMS_LOCAL    0.30   0.38   0.41   0.41   0.41   0.41   0.41   0.41   0.41   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26
GDT RMS_ALL_AT   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     2_A      S     2_A     8.651     0    0.064   0.532    10.918    2.619    9.206
LGA    A     3_A      A     3_A     7.660     0    0.624   0.584     9.241   15.476   12.667
LGA    D     4_A      D     4_A     0.518     0    0.580   1.336     5.684   82.738   62.976
LGA    L     5_A      L     5_A     0.418     0    0.083   0.133     0.739   97.619   95.238
LGA    A     6_A      A     6_A     0.536     0    0.054   0.063     0.716   95.238   94.286
LGA    H     7_A      H     7_A     0.473     0    0.026   1.146     2.406   97.619   84.667
LGA    G     8_A      G     8_A     0.196     0    0.028   0.028     0.386  100.000  100.000
LGA    K     9_A      K     9_A     0.228     0    0.020   0.076     0.565  100.000   98.942
LGA    A    10_A      A    10_A     0.339     0    0.028   0.034     0.462  100.000  100.000
LGA    I    11_A      I    11_A     0.190     0    0.022   0.050     0.644  100.000   96.429
LGA    F    12_A      F    12_A     0.249     0    0.008   0.056     0.433  100.000  100.000
LGA    A    13_A      A    13_A     0.379     0    0.033   0.043     0.466  100.000  100.000
LGA    G    14_A      G    14_A     0.335     0    0.036   0.036     0.423  100.000  100.000
LGA    N    15_A      N    15_A     0.407     0    0.012   0.032     0.582  100.000   97.619
LGA    C    16_A      C    16_A     0.120     0    0.047   0.098     0.259  100.000  100.000
LGA    A    17_A      A    17_A     0.068     0    0.043   0.048     0.160  100.000  100.000
LGA    A    18_A      A    18_A     0.182     0    0.039   0.037     0.437  100.000  100.000
LGA    C    19_A      C    19_A     0.432     0    0.017   0.078     0.643   97.619   95.238
LGA    H    20_A      H    20_A     0.352     0    0.115   0.155     0.532   97.619   99.048
LGA    N    21_A      N    21_A     0.620     0    0.033   0.366     1.372   95.238   91.726
LGA    G    22_A      G    22_A     0.659     0    0.016   0.016     0.660   90.476   90.476
LGA    G    23_A      G    23_A     0.581     0    0.019   0.019     0.653   95.238   95.238
LGA    L    24_A      L    24_A     0.200     0    0.082   0.144     0.687  100.000   97.619
LGA    N    25_A      N    25_A     0.292     0    0.058   0.096     0.402  100.000  100.000
LGA    A    26_A      A    26_A     0.346     0    0.155   0.159     1.041   95.357   94.381
LGA    I    27_A      I    27_A     0.587     0    0.045   0.625     1.862   90.476   88.274
LGA    N    28_A      N    28_A     0.414     0    0.022   0.090     0.568  100.000   95.238
LGA    P    29_A      P    29_A     0.372     0    0.009   0.076     0.563   95.238   97.279
LGA    S    30_A      S    30_A     0.616     0    0.123   0.637     3.260   90.476   83.730
LGA    K    31_A      K    31_A     0.526     0    0.028   0.452     1.751   95.238   88.624
LGA    T    32_A      T    32_A     0.212     0    0.008   0.161     0.655  100.000   98.639
LGA    L    33_A      L    33_A     0.072     0    0.031   0.089     0.252  100.000  100.000
LGA    K    34_A      K    34_A     0.159     0    0.024   0.114     1.446  100.000   93.757
LGA    M    35_A      M    35_A     0.174     0    0.050   0.111     0.219  100.000  100.000
LGA    A    36_A      A    36_A     0.163     0    0.034   0.045     0.203  100.000  100.000
LGA    D    37_A      D    37_A     0.064     0    0.017   0.071     0.186  100.000  100.000
LGA    L    38_A      L    38_A     0.139     0    0.022   0.044     0.234  100.000  100.000
LGA    E    39_A      E    39_A     0.115     0    0.035   0.883     4.048  100.000   84.127
LGA    A    40_A      A    40_A     0.220     0    0.027   0.024     0.417  100.000  100.000
LGA    N    41_A      N    41_A     0.379     0    0.017   0.039     0.553  100.000   98.810
LGA    G    42_A      G    42_A     0.463     0    0.019   0.019     0.504   97.619   97.619
LGA    K    43_A      K    43_A     0.371     0    0.060   0.114     1.510   97.619   91.746
LGA    N    44_A      N    44_A     0.128     0    0.163   0.148     0.830   97.619   96.429
LGA    S    45_A      S    45_A     0.196     0    0.017   0.046     0.393  100.000  100.000
LGA    V    46_A      V    46_A     0.385     0    0.031   0.079     0.808  100.000   95.918
LGA    A    47_A      A    47_A     0.278     0    0.020   0.026     0.467  100.000  100.000
LGA    A    48_A      A    48_A     0.270     0    0.026   0.037     0.441  100.000  100.000
LGA    I    49_A      I    49_A     0.225     0    0.042   0.044     0.322  100.000  100.000
LGA    V    50_A      V    50_A     0.134     0    0.060   0.052     0.280  100.000  100.000
LGA    A    51_A      A    51_A     0.293     0    0.024   0.023     0.528   97.619   98.095
LGA    Q    52_A      Q    52_A     0.348     0    0.017   0.319     1.118  100.000   95.820
LGA    I    53_A      I    53_A     0.273     0    0.017   0.063     0.533  100.000   98.810
LGA    T    54_A      T    54_A     0.276     0    0.010   0.064     0.378  100.000  100.000
LGA    N    55_A      N    55_A     0.292     0    0.043   0.087     0.404  100.000  100.000
LGA    G    56_A      G    56_A     0.221     0    0.039   0.039     0.252  100.000  100.000
LGA    N    57_A      N    57_A     0.138     0    0.077   0.181     0.564  100.000   97.619
LGA    G    58_A      G    58_A     0.872     0    0.089   0.089     0.872   90.476   90.476
LGA    A    59_A      A    59_A     0.441     0    0.074   0.085     0.580   97.619   98.095
LGA    M    60_A      M    60_A     0.344     0    0.010   0.236     1.030  100.000   95.298
LGA    P    61_A      P    61_A     0.404     0    0.032   0.046     0.561  100.000   95.918
LGA    G    62_A      G    62_A     0.231     0    0.060   0.060     0.409  100.000  100.000
LGA    F    63_A      F    63_A     0.286     0    0.037   0.091     0.365  100.000  100.000
LGA    K    64_A      K    64_A     0.244     0    0.074   0.571     2.166  100.000   93.069
LGA    G    65_A      G    65_A     0.147     0    0.043   0.043     0.317  100.000  100.000
LGA    R    66_A      R    66_A     0.294     0    0.071   1.054     3.521   97.619   82.641
LGA    I    67_A      I    67_A     0.712     0    0.133   1.095     2.917   92.857   81.964
LGA    S    68_A      S    68_A     0.188     0    0.032   0.153     0.654  100.000   98.413
LGA    D    69_A      D    69_A     0.068     0    0.020   0.309     1.154  100.000   97.679
LGA    S    70_A      S    70_A     0.406     0    0.067   0.194     0.706   97.619   98.413
LGA    D    71_A      D    71_A     0.526     0    0.056   0.265     1.500   92.857   89.405
LGA    M    72_A      M    72_A     0.384     0    0.034   0.136     0.466  100.000  100.000
LGA    E    73_A      E    73_A     0.371     0    0.030   0.710     2.873  100.000   88.307
LGA    D    74_A      D    74_A     0.239     0    0.016   0.112     0.604  100.000   98.810
LGA    V    75_A      V    75_A     0.236     0    0.025   0.239     0.780  100.000   97.279
LGA    A    76_A      A    76_A     0.432     0    0.012   0.022     0.624  100.000   98.095
LGA    A    77_A      A    77_A     0.408     0    0.034   0.038     0.478  100.000  100.000
LGA    Y    78_A      Y    78_A     0.161     0    0.006   0.074     0.616  100.000   99.206
LGA    V    79_A      V    79_A     0.180     0    0.017   0.040     0.284  100.000  100.000
LGA    L    80_A      L    80_A     0.221     0    0.062   0.143     0.436  100.000  100.000
LGA    D    81_A      D    81_A     0.254     0    0.012   0.153     1.149  100.000   95.298
LGA    Q    82_A      Q    82_A     0.199     0    0.056   0.944     2.604  100.000   91.164
LGA    A    83_A      A    83_A     0.194     0    0.047   0.048     0.291  100.000  100.000
LGA    E    84_A      E    84_A     0.485     0    0.018   1.199     4.676   95.238   74.339
LGA    K    85_A      K    85_A     1.067     0    0.028   0.964     2.505   85.952   81.005
LGA    G    86_A      G    86_A     1.325     0    0.644   0.644     4.481   68.452   68.452
LGA    W    87_A      W    87_A     0.969     0    0.049   1.298    10.595   70.357   34.694

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     612    612  100.00                87
SUMMARY(RMSD_GDC):     1.260          1.296                  1.620           94.412   91.544

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   86   87    4.0     84    0.41    96.839    97.590    16.530

LGA_LOCAL      RMSD:   0.408  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.310  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.260  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.402912 * X  +   0.717190 * Y  +   0.568595 * Z  +   9.223512
  Y_new =   0.387641 * X  +   0.429056 * Y  +  -0.815871 * Z  +  27.743811
  Z_new =  -0.829094 * X  +   0.549135 * Y  +  -0.105140 * Z  +  85.999680 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.766083  0.977485  1.759972   [DEG:   43.8933   56.0057  100.8389 ]
ZXZ:  0.608654  1.676131 -0.985801   [DEG:   34.8733   96.0352  -56.4822 ]
 
# END of job
