
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.63    14.11
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.55    14.60
  LCS_AVERAGE:     74.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      15_A - 52_A        0.92    14.49
  LCS_AVERAGE:     35.21

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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    15_A     K    15_A     38   74   78     18   49   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     38   74   78     22   54   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     38   74   78     28   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     38   74   78     36   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     38   74   78     33   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     38   74   78     34   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     38   74   78     36   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     38   74   78     24   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     38   74   78     23   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     38   74   78     22   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     38   74   78     22   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     38   74   78     24   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     38   74   78     24   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     38   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     38   74   78     31   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     38   74   78     22   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     38   74   78      3    4   27   58   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     38   74   78      6   38   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     15   74   78      5   11   49   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     15   74   78      5   12   32   66   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     15   74   78      5   22   45   66   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     31   74   78      9   39   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     31   74   78      6   39   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     31   74   78      7   47   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     31   74   78      9   50   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     31   74   78     31   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     31   74   78     36   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     31   74   78     28   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     31   74   78      3   30   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     31   74   78      5   12   16   66   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     31   74   78      7   33   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     31   74   78      7   48   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     31   74   78     24   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     31   74   78     36   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     31   74   78     22   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     31   74   78     37   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     31   74   78     25   57   62   68   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     30   74   78      4   11   22   42   63   71   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   74   78      9   12   14   14   14   17   29   35   46   63   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   15   78      8   12   14   14   14   14   15   16   16   17   18   21   27   33   48   63   74   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   21   27   32   38   47   56   65   75   76 
LCS_GDT     L    91_A     L    91_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   27   27   32 
LCS_GDT     T    92_A     T    92_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   27   27   29 
LCS_GDT     L    93_A     L    93_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   27   27   29 
LCS_GDT     F    94_A     F    94_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   27   27   28 
LCS_GDT     V    95_A     V    95_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   27   28 
LCS_GDT     N    96_A     N    96_A     14   15   19      9   12   14   14   14   14   15   16   16   17   17   20   20   22   22   24   25   26   27   28 
LCS_GDT     G    97_A     G    97_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   27   28 
LCS_GDT     Q    98_A     Q    98_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   27   27   29 
LCS_GDT     P    99_A     P    99_A     14   15   19      3   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   27   27   29 
LCS_GDT     R   100_A     R   100_A     14   15   19      3   10   14   14   14   14   15   16   16   16   18   20   20   22   22   24   25   26   27   29 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3    6   10   10   14   16   16   17   18   20   20   22   22   24   25   26   27   29 
LCS_AVERAGE  LCS_A:  64.26  (  35.21   74.92   82.64 )

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     37     57     62     68     72     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  42.53  65.52  71.26  78.16  82.76  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.33   0.53   0.67   0.91   1.15   1.15   1.23   1.23   1.23   1.23   1.23   1.55   1.55   1.55   1.55   1.55   1.55   2.11   2.11   2.69
GDT RMS_ALL_AT  14.70  14.71  14.71  14.67  14.63  14.63  14.63  14.63  14.63  14.63  14.63  14.60  14.60  14.60  14.60  14.60  14.60  14.53  14.53  14.44

# Checking swapping
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.563     0    0.485   1.042     9.167   72.024   50.476
LGA    L    16_A      L    16_A     1.142     0    0.039   0.084     1.301   85.952   83.690
LGA    I    17_A      I    17_A     0.636     0    0.012   0.672     2.925   92.857   86.369
LGA    I    18_A      I    18_A     0.408     0    0.024   0.628     2.122   97.619   93.214
LGA    K    19_A      K    19_A     0.415     0    0.031   0.715     3.754   97.619   81.058
LGA    A    20_A      A    20_A     0.392     0    0.015   0.015     0.639  100.000   98.095
LGA    Q    21_A      Q    21_A     0.292     0    0.020   0.150     0.763  100.000   97.884
LGA    L    22_A      L    22_A     0.511     0    0.033   0.071     1.317   97.619   91.786
LGA    G    23_A      G    23_A     0.448     0    0.018   0.018     0.448  100.000  100.000
LGA    E    24_A      E    24_A     0.362     0    0.056   0.722     2.443   97.619   89.841
LGA    D    25_A      D    25_A     0.321     0    0.065   0.156     1.003  100.000   95.298
LGA    I    26_A      I    26_A     0.656     0    0.030   0.081     0.931   90.476   91.667
LGA    R    27_A      R    27_A     1.021     0    0.048   0.185     2.022   88.214   79.264
LGA    R    28_A      R    28_A     0.421     0    0.059   0.925     2.496   97.619   82.857
LGA    I    29_A      I    29_A     0.226     0    0.049   0.166     0.571  100.000   97.619
LGA    P    30_A      P    30_A     0.314     0    0.050   0.065     0.455  100.000  100.000
LGA    I    31_A      I    31_A     0.178     0    0.096   0.610     1.980   97.619   95.417
LGA    H    32_A      H    32_A     0.397     0    0.094   1.114     2.861  100.000   87.571
LGA    N    33_A      N    33_A     0.689     0    0.045   0.775     3.729   92.857   77.500
LGA    E    34_A      E    34_A     1.060     0    0.048   0.395     3.760   81.548   70.899
LGA    D    35_A      D    35_A     1.079     0    0.259   1.208     4.394   79.286   71.667
LGA    I    36_A      I    36_A     1.239     0    0.028   1.203     3.323   79.286   72.321
LGA    T    37_A      T    37_A     1.333     0    0.026   0.102     1.459   81.429   81.429
LGA    Y    38_A      Y    38_A     1.420     0    0.019   0.182     2.026   81.429   75.794
LGA    D    39_A      D    39_A     1.312     0    0.032   0.119     1.663   81.429   80.357
LGA    E    40_A      E    40_A     0.902     0    0.022   0.208     1.290   88.214   88.466
LGA    L    41_A      L    41_A     0.744     0    0.034   0.073     0.881   90.476   91.667
LGA    V    42_A      V    42_A     1.122     0    0.030   0.068     1.573   83.690   80.272
LGA    L    43_A      L    43_A     0.876     0    0.018   0.084     0.922   90.476   90.476
LGA    M    44_A      M    44_A     0.623     0    0.070   0.946     2.432   90.476   86.131
LGA    M    45_A      M    45_A     0.848     0    0.057   0.053     0.978   90.476   90.476
LGA    Q    46_A      Q    46_A     1.056     0    0.025   0.229     1.541   83.690   82.487
LGA    R    47_A      R    47_A     0.942     0    0.020   1.249     5.273   88.214   74.675
LGA    V    48_A      V    48_A     0.635     0    0.085   1.225     2.930   90.476   84.558
LGA    F    49_A      F    49_A     1.243     0    0.082   0.074     2.108   77.381   84.935
LGA    R    50_A      R    50_A     1.744     0    0.519   0.935     8.396   75.119   45.152
LGA    G    51_A      G    51_A     3.519     0    0.034   0.034     4.375   48.810   48.810
LGA    K    52_A      K    52_A     1.623     0    0.130   1.156     3.978   72.857   70.899
LGA    L    53_A      L    53_A     2.407     0    0.088   1.024     3.574   57.500   58.452
LGA    L    54_A      L    54_A     2.905     0    0.070   0.154     3.734   57.143   54.524
LGA    S    55_A      S    55_A     2.872     0    0.079   0.081     3.144   60.952   58.492
LGA    N    56_A      N    56_A     1.802     0    0.032   1.168     6.339   72.976   57.798
LGA    D    57_A      D    57_A     1.571     0    0.029   0.144     2.097   75.000   72.917
LGA    E    58_A      E    58_A     1.167     0    0.031   0.601     2.235   88.333   79.788
LGA    V    59_A      V    59_A     0.927     0    0.022   0.054     1.238   88.214   87.891
LGA    T    60_A      T    60_A     0.373     0    0.070   0.155     0.662   97.619   97.279
LGA    I    61_A      I    61_A     0.588     0    0.022   0.062     1.354   92.857   89.405
LGA    K    62_A      K    62_A     0.512     0    0.032   0.094     0.753   92.857   91.534
LGA    Y    63_A      Y    63_A     0.492     0    0.026   0.153     0.669  100.000   93.651
LGA    K    64_A      K    64_A     0.301     0    0.061   0.663     4.626  100.000   77.725
LGA    A    65_A      A    65_A     0.628     0    0.067   0.107     0.943   90.476   90.476
LGA    E    66_A      E    66_A     1.638     0    0.660   0.974     4.560   67.619   59.206
LGA    R    67_A      R    67_A     2.563     0    0.254   1.375    13.788   66.905   31.948
LGA    G    68_A      G    68_A     1.772     0    0.124   0.124     1.847   72.857   72.857
LGA    D    69_A      D    69_A     1.519     0    0.018   1.033     2.426   81.667   75.238
LGA    L    70_A      L    70_A     0.688     0    0.049   1.349     3.134   92.976   81.190
LGA    I    71_A      I    71_A     0.175     0    0.038   0.049     0.731  100.000   97.619
LGA    T    72_A      T    72_A     0.411     0    0.022   0.052     0.749   97.619   94.558
LGA    I    73_A      I    73_A     0.592     0    0.027   0.085     0.952   90.476   90.476
LGA    F    74_A      F    74_A     0.682     0    0.046   0.092     0.701   90.476   90.476
LGA    D    75_A      D    75_A     0.476     0    0.041   0.935     4.179   97.619   79.345
LGA    S    76_A      S    76_A     0.215     0    0.036   0.057     0.493  100.000  100.000
LGA    S    77_A      S    77_A     0.735     0    0.015   0.553     1.214   90.476   88.968
LGA    D    78_A      D    78_A     0.695     0    0.030   0.075     0.805   90.476   90.476
LGA    L    79_A      L    79_A     0.351     0    0.031   1.358     2.909   97.619   84.702
LGA    S    80_A      S    80_A     0.410     0    0.047   0.057     0.811   97.619   95.238
LGA    F    81_A      F    81_A     0.837     0    0.042   0.102     2.442   90.476   77.836
LGA    A    82_A      A    82_A     0.658     0    0.032   0.035     0.828   95.238   94.286
LGA    I    83_A      I    83_A     0.210     0    0.011   0.112     0.592  100.000   98.810
LGA    Q    84_A      Q    84_A     0.387     0    0.025   0.969     5.366  100.000   74.762
LGA    C    85_A      C    85_A     0.335     0    0.184   0.187     1.207   95.357   92.222
LGA    S    86_A      S    86_A     0.528     0    0.585   0.730     3.895   76.667   69.127
LGA    R    87_A      R    87_A     3.923     0    0.515   0.875     8.646   32.024   25.887
LGA    I    88_A      I    88_A     8.336     0    0.032   0.585    11.000    8.690    5.119
LGA    L    89_A      L    89_A    12.631     0    0.062   0.119    18.530    0.000    0.000
LGA    K    90_A      K    90_A    15.155     0    0.054   0.873    17.433    0.000    0.000
LGA    L    91_A      L    91_A    22.256     0    0.028   0.058    25.570    0.000    0.000
LGA    T    92_A      T    92_A    26.713     0    0.021   1.091    30.093    0.000    0.000
LGA    L    93_A      L    93_A    34.154     0    0.066   1.168    35.850    0.000    0.000
LGA    F    94_A      F    94_A    39.575     0    0.043   0.093    42.869    0.000    0.000
LGA    V    95_A      V    95_A    46.831     0    0.023   0.046    50.493    0.000    0.000
LGA    N    96_A      N    96_A    52.164     0    0.081   0.128    56.842    0.000    0.000
LGA    G    97_A      G    97_A    46.795     0    0.026   0.026    48.378    0.000    0.000
LGA    Q    98_A      Q    98_A    43.996     0    0.094   1.056    48.199    0.000    0.000
LGA    P    99_A      P    99_A    37.862     0    0.706   0.626    39.724    0.000    0.000
LGA    R   100_A      R   100_A    41.226     0    0.074   1.215    42.873    0.000    0.000
LGA    P   101_A      P   101_A    43.901     0    0.139   0.146    47.290    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.616         12.677                 12.642           73.214   68.177

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.23    78.161    78.915     5.487

LGA_LOCAL      RMSD:   1.230  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.626  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.616  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.248559 * X  +  -0.677826 * Y  +  -0.691932 * Z  +  -0.067700
  Y_new =  -0.942881 * X  +  -0.005741 * Y  +  -0.333081 * Z  +  49.728302
  Z_new =   0.221799 * X  +   0.735200 * Y  +  -0.640536 * Z  +  -0.849592 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.313044 -0.223659  2.287493   [DEG:  -75.2319  -12.8147  131.0637 ]
ZXZ: -1.122157  2.265992  0.293002   [DEG:  -64.2948  129.8318   16.7878 ]
 
# END of job
