
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       7_A - 87_A        4.98     6.07
  LONGEST_CONTINUOUS_SEGMENT:    81       8_A - 88_A        4.16     6.21
  LCS_AVERAGE:     96.56

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      11_A - 87_A        1.86     6.88
  LONGEST_CONTINUOUS_SEGMENT:    77      12_A - 88_A        1.69     7.04
  LCS_AVERAGE:     87.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      12_A - 83_A        0.98     6.99
  LONGEST_CONTINUOUS_SEGMENT:    72      13_A - 84_A        0.88     7.09
  LCS_AVERAGE:     77.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      5    8   10      0    3    5    6    8    8    8    8    8    8   10   10   11   12   12   13   13   15   19   19 
LCS_GDT     K     7_B     K     7_A      6    8   81      4    5    6    7    8    8    8    8    8    8   10   10   10   12   13   19   25   26   27   41 
LCS_GDT     P     8_B     P     8_A      6    8   81      4    5    6    7    8    8    8    8    8    8   14   17   21   24   26   29   45   52   59   63 
LCS_GDT     K     9_B     K     9_A      6    8   81      4    5    6    7    8    8    8   10   12   15   23   36   44   51   56   61   64   70   76   76 
LCS_GDT     A    10_B     A    10_A      6    8   81      4    4    6    7    8   16   24   31   44   53   62   67   74   74   79   79   79   79   79   79 
LCS_GDT     K    11_B     K    11_A      6   77   81      3    6   11   18   28   40   53   61   68   72   76   77   78   78   79   79   79   79   79   79 
LCS_GDT     R    12_B     R    12_A     72   77   81      3    5   13   31   51   66   72   72   73   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     T    13_B     T    13_A     72   77   81      3   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     W    14_B     W    14_A     72   77   81     23   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     S    15_B     S    15_A     72   77   81     20   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    16_B     K    16_A     72   77   81     25   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    17_B     E    17_A     72   77   81     23   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    18_B     E    18_A     72   77   81     32   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    19_B     E    19_A     72   77   81     33   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    20_B     E    20_A     72   77   81     32   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     A    21_B     A    21_A     72   77   81     35   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    22_B     L    22_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     V    23_B     V    23_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    24_B     E    24_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    25_B     G    25_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    26_B     L    26_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    27_B     K    27_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    28_B     E    28_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     V    29_B     V    29_A     72   77   81     31   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    30_B     G    30_A     72   77   81     32   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     P    31_B     P    31_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     S    32_B     S    32_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     W    33_B     W    33_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     S    34_B     S    34_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    35_B     K    35_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     I    36_B     I    36_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    37_B     L    37_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     D    38_B     D    38_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    39_B     L    39_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     Y    40_B     Y    40_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    41_B     G    41_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     P    42_B     P    42_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    43_B     G    43_A     72   77   81     37   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    44_B     G    44_A     72   77   81     32   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    45_B     K    45_A     72   77   81     25   56   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     I    46_B     I    46_A     72   77   81     25   55   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     T    47_B     T    47_A     72   77   81     32   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    48_B     E    48_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     N    49_B     N    49_A     72   77   81     29   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    50_B     L    50_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    51_B     K    51_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     N    52_B     N    52_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     R    53_B     R    53_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     T    54_B     T    54_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     Q    55_B     Q    55_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     V    56_B     V    56_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     Q    57_B     Q    57_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    58_B     L    58_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    59_B     K    59_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     D    60_B     D    60_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    61_B     K    61_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     A    62_B     A    62_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     R    63_B     R    63_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     N    64_B     N    64_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     W    65_B     W    65_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    66_B     K    66_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    67_B     L    67_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     Q    68_B     Q    68_A     72   77   81     31   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     Y    69_B     Y    69_A     72   77   81     19   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    70_B     L    70_A     72   77   81     31   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    71_B     K    71_A     72   77   81     20   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     S    72_B     S    72_A     72   77   81     10   56   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    73_B     G    73_A     72   77   81     10   58   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    74_B     K    74_A     72   77   81     17   62   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     P    75_B     P    75_A     72   77   81     31   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    76_B     L    76_A     72   77   81     20   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     P    77_B     P    77_A     72   77   81     39   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     D    78_B     D    78_A     72   77   81     17   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     Y    79_B     Y    79_A     72   77   81     29   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    80_B     L    80_A     72   77   81     31   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     I    81_B     I    81_A     72   77   81     31   63   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     K    82_B     K    82_A     72   77   81      3   30   64   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     V    83_B     V    83_A     72   77   81      6   58   70   71   71   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     T    84_B     T    84_A     72   77   81      4    9   21   43   65   72   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     G    85_B     G    85_A      8   77   81      4    9   25   33   48   63   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     N    86_B     N    86_A      8   77   81      4    9   26   37   55   68   73   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     L    87_B     L    87_A      3   77   81      3    3    3    4    8   23   64   75   75   75   77   77   78   78   79   79   79   79   79   79 
LCS_GDT     E    88_B     E    88_A      3   77   81      3    3    3    4    5    7    9   32   53   72   77   77   78   78   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  87.15  (  77.12   87.76   96.56 )

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     39     63     70     71     71     72     73     75     75     75     77     77     78     78     79     79     79     79     79     79 
GDT PERCENT_AT  46.99  75.90  84.34  85.54  85.54  86.75  87.95  90.36  90.36  90.36  92.77  92.77  93.98  93.98  95.18  95.18  95.18  95.18  95.18  95.18
GDT RMS_LOCAL    0.34   0.54   0.67   0.72   0.72   0.88   1.06   1.34   1.34   1.34   1.69   1.69   2.01   2.01   2.61   2.61   2.61   2.61   2.61   2.61
GDT RMS_ALL_AT   7.08   7.04   7.07   7.08   7.08   7.09   7.10   7.14   7.14   7.14   7.04   7.04   6.88   6.88   6.65   6.65   6.65   6.65   6.65   6.65

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    38.115     0    0.592   1.378    44.807    0.000    0.000
LGA    K     7_B      K     7_A    31.272     0    0.224   1.227    33.904    0.000    0.000
LGA    P     8_B      P     8_A    25.995     0    0.093   0.154    27.823    0.000    0.000
LGA    K     9_B      K     9_A    22.682     0    0.082   1.009    26.880    0.000    0.000
LGA    A    10_B      A    10_A    16.524     0    0.243   0.297    19.205    0.000    0.000
LGA    K    11_B      K    11_A    10.566     0    0.121   0.681    13.430    1.429    0.688
LGA    R    12_B      R    12_A     6.110     0    0.067   0.768    14.346   24.643   10.346
LGA    T    13_B      T    13_A     0.878     0    0.569   1.080     4.211   75.714   62.925
LGA    W    14_B      W    14_A     1.062     0    0.021   0.227     1.303   81.429   86.633
LGA    S    15_B      S    15_A     1.294     0    0.043   0.721     1.767   81.429   80.000
LGA    K    16_B      K    16_A     1.242     0    0.049   1.189     5.686   81.429   69.577
LGA    E    17_B      E    17_A     1.288     0    0.026   0.882     4.019   83.690   73.810
LGA    E    18_B      E    18_A     0.738     0    0.057   0.220     0.964   92.857   91.534
LGA    E    19_B      E    19_A     0.638     0    0.021   0.160     0.710   90.476   91.534
LGA    E    20_B      E    20_A     0.863     0    0.135   0.450     2.245   90.476   84.603
LGA    A    21_B      A    21_A     0.642     0    0.039   0.055     0.790   90.476   92.381
LGA    L    22_B      L    22_A     0.228     0    0.015   0.028     0.631  100.000   97.619
LGA    V    23_B      V    23_A     0.465     0    0.027   0.075     0.669   95.238   94.558
LGA    E    24_B      E    24_A     0.640     0    0.059   1.042     3.712   90.476   82.275
LGA    G    25_B      G    25_A     0.488     0    0.030   0.030     0.552   95.238   95.238
LGA    L    26_B      L    26_A     0.540     0    0.070   0.101     0.707   90.476   92.857
LGA    K    27_B      K    27_A     0.584     0    0.137   0.913     2.595   88.214   84.762
LGA    E    28_B      E    28_A     0.413     0    0.077   0.599     1.667   97.619   93.862
LGA    V    29_B      V    29_A     0.450     0    0.091   0.134     0.654  100.000   97.279
LGA    G    30_B      G    30_A     0.420     0    0.018   0.018     0.420  100.000  100.000
LGA    P    31_B      P    31_A     0.437     0    0.011   0.075     0.597   95.238   97.279
LGA    S    32_B      S    32_A     0.669     0    0.050   0.109     0.900   90.476   90.476
LGA    W    33_B      W    33_A     0.647     0    0.016   0.077     0.988   92.857   91.156
LGA    S    34_B      S    34_A     0.472     0    0.057   0.769     3.060   95.238   86.905
LGA    K    35_B      K    35_A     0.478     0    0.014   0.661     2.468   95.238   92.910
LGA    I    36_B      I    36_A     0.583     0    0.035   0.073     0.660   90.476   91.667
LGA    L    37_B      L    37_A     0.720     0    0.028   0.090     0.898   90.476   90.476
LGA    D    38_B      D    38_A     0.709     0    0.015   0.897     2.771   90.476   82.976
LGA    L    39_B      L    39_A     0.454     0    0.017   0.234     0.793   97.619   97.619
LGA    Y    40_B      Y    40_A     0.628     0    0.024   0.129     1.112   92.857   89.762
LGA    G    41_B      G    41_A     0.393     0    0.023   0.023     0.490  100.000  100.000
LGA    P    42_B      P    42_A     0.239     0    0.049   0.301     0.689  100.000   98.639
LGA    G    43_B      G    43_A     0.574     0    0.062   0.062     0.691   90.476   90.476
LGA    G    44_B      G    44_A     0.681     0    0.043   0.043     0.900   90.476   90.476
LGA    K    45_B      K    45_A     1.028     0    0.078   0.585     2.286   83.690   77.884
LGA    I    46_B      I    46_A     1.183     0    0.017   0.032     1.520   79.286   81.488
LGA    T    47_B      T    47_A     0.971     0    0.053   0.121     1.140   88.214   86.599
LGA    E    48_B      E    48_A     0.458     0    0.017   0.224     0.942   97.619   94.709
LGA    N    49_B      N    49_A     0.737     0    0.103   0.693     2.174   88.214   83.929
LGA    L    50_B      L    50_A     0.557     0    0.062   0.150     0.598   92.857   94.048
LGA    K    51_B      K    51_A     0.338     0    0.081   0.765     3.149  100.000   93.386
LGA    N    52_B      N    52_A     0.422     0    0.022   1.106     2.351  100.000   91.190
LGA    R    53_B      R    53_A     0.385     0    0.022   0.138     0.881   97.619   94.805
LGA    T    54_B      T    54_A     0.526     0    0.062   0.093     0.898   92.857   93.197
LGA    Q    55_B      Q    55_A     0.653     0    0.025   0.295     1.075   90.476   89.471
LGA    V    56_B      V    56_A     0.908     0    0.068   0.074     1.411   90.476   86.599
LGA    Q    57_B      Q    57_A     0.728     0    0.018   0.116     0.830   90.476   90.476
LGA    L    58_B      L    58_A     0.640     0    0.020   0.219     0.898   90.476   90.476
LGA    K    59_B      K    59_A     0.763     0    0.049   0.707     2.741   90.476   83.862
LGA    D    60_B      D    60_A     0.690     0    0.078   0.855     4.017   92.857   77.619
LGA    K    61_B      K    61_A     0.598     0    0.037   0.639     1.894   90.476   88.677
LGA    A    62_B      A    62_A     0.694     0    0.015   0.021     0.702   90.476   90.476
LGA    R    63_B      R    63_A     0.747     0    0.018   1.109     4.221   90.476   77.792
LGA    N    64_B      N    64_A     0.731     0    0.049   1.056     3.176   90.476   79.048
LGA    W    65_B      W    65_A     0.735     0    0.046   0.214     0.841   90.476   93.197
LGA    K    66_B      K    66_A     0.725     0    0.035   0.345     1.604   90.476   89.577
LGA    L    67_B      L    67_A     0.830     0    0.024   0.058     1.186   90.476   89.345
LGA    Q    68_B      Q    68_A     0.968     0    0.031   0.954     4.404   85.952   71.587
LGA    Y    69_B      Y    69_A     1.053     0    0.067   0.166     1.442   83.690   86.706
LGA    L    70_B      L    70_A     1.219     0    0.034   0.183     1.666   79.286   80.357
LGA    K    71_B      K    71_A     1.586     0    0.017   0.986     3.720   72.976   70.635
LGA    S    72_B      S    72_A     2.021     0    0.007   0.039     2.336   66.786   68.810
LGA    G    73_B      G    73_A     2.015     0    0.058   0.058     2.172   68.810   68.810
LGA    K    74_B      K    74_A     1.428     0    0.048   1.011     6.531   79.286   62.804
LGA    P    75_B      P    75_A     0.828     0    0.019   0.330     1.843   90.476   86.667
LGA    L    76_B      L    76_A     0.758     0    0.032   0.959     3.421   92.857   83.274
LGA    P    77_B      P    77_A     0.085     0    0.012   0.351     0.825   97.619   95.918
LGA    D    78_B      D    78_A     0.592     0    0.041   0.677     1.869   92.857   88.333
LGA    Y    79_B      Y    79_A     0.604     0    0.180   0.198     0.879   90.476   90.476
LGA    L    80_B      L    80_A     0.779     0    0.135   0.183     1.110   92.857   90.536
LGA    I    81_B      I    81_A     0.861     0    0.068   0.665     1.762   88.214   82.679
LGA    K    82_B      K    82_A     1.940     0    0.167   0.727     4.506   75.000   57.672
LGA    V    83_B      V    83_A     0.968     0    0.219   0.211     1.526   83.810   86.735
LGA    T    84_B      T    84_A     3.747     0    0.013   0.177     6.366   45.238   35.102
LGA    G    85_B      G    85_A     4.837     0    0.062   0.062     4.837   38.929   38.929
LGA    N    86_B      N    86_A     4.497     0    0.533   1.174     4.950   34.286   34.286
LGA    L    87_B      L    87_A     5.077     0    0.060   0.126     9.694   27.500   17.262
LGA    E    88_B      E    88_A     7.160     0    0.055   0.899    13.748   12.976    6.085

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     6.005          5.869                  6.783           79.060   75.841

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     75    1.34    86.747    87.810     5.198

LGA_LOCAL      RMSD:   1.343  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.138  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   6.005  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.137861 * X  +  -0.990406 * Y  +  -0.009528 * Z  +  13.982631
  Y_new =  -0.971473 * X  +  -0.133339 * Y  +  -0.196116 * Z  +   4.108320
  Z_new =   0.192964 * X  +   0.036293 * Y  +  -0.980534 * Z  +  14.753336 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.429828 -0.194182  3.104596   [DEG:  -81.9231  -11.1258  177.8803 ]
ZXZ: -0.048544  2.943961  1.384888   [DEG:   -2.7814  168.6766   79.3483 ]
 
# END of job
