
#######################################################
#                                                     #
#                        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:    83       6_A - 88_A        2.64     2.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       6_A - 86_A        1.72     2.71
  LCS_AVERAGE:     95.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      11_A - 83_A        0.99     2.98
  LONGEST_CONTINUOUS_SEGMENT:    73      12_A - 84_A        1.00     2.96
  LCS_AVERAGE:     81.62

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      4   81   83      2    4    5    8   11   61   72   77   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   81   83      3    5   36   60   71   75   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     P     8_B     P     8_A     59   81   83      3    5    5   60   71   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K     9_B     K     9_A     69   81   83      3   46   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     A    10_B     A    10_A     72   81   83      5   13   60   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    11_B     K    11_A     73   81   83      5   13   60   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     R    12_B     R    12_A     73   81   83      5   13   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     T    13_B     T    13_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     W    14_B     W    14_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     S    15_B     S    15_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    16_B     K    16_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    17_B     E    17_A     73   81   83     29   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    18_B     E    18_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    19_B     E    19_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    20_B     E    20_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     A    21_B     A    21_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    22_B     L    22_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     V    23_B     V    23_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    24_B     E    24_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    25_B     G    25_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    26_B     L    26_A     73   81   83     27   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    27_B     K    27_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    28_B     E    28_A     73   81   83     27   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     V    29_B     V    29_A     73   81   83     27   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    30_B     G    30_A     73   81   83      9   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     P    31_B     P    31_A     73   81   83     22   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     S    32_B     S    32_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     W    33_B     W    33_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     S    34_B     S    34_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    35_B     K    35_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     I    36_B     I    36_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    37_B     L    37_A     73   81   83     15   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     D    38_B     D    38_A     73   81   83      8   43   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    39_B     L    39_A     73   81   83     29   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    41_B     G    41_A     73   81   83      7   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     P    42_B     P    42_A     73   81   83      5   11   66   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    43_B     G    43_A     73   81   83      3   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    44_B     G    44_A     73   81   83      3   46   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    45_B     K    45_A     73   81   83     17   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     I    46_B     I    46_A     73   81   83     19   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     T    47_B     T    47_A     73   81   83      6   48   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     E    48_B     E    48_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     N    49_B     N    49_A     73   81   83     22   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    50_B     L    50_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    51_B     K    51_A     73   81   83      3   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     N    52_B     N    52_A     73   81   83      6   36   64   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     R    53_B     R    53_A     73   81   83     11   45   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     T    54_B     T    54_A     73   81   83     22   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     V    56_B     V    56_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     73   81   83     29   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    58_B     L    58_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    59_B     K    59_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     D    60_B     D    60_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    61_B     K    61_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     A    62_B     A    62_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     R    63_B     R    63_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     N    64_B     N    64_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     W    65_B     W    65_A     73   81   83     31   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    66_B     K    66_A     73   81   83     19   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    67_B     L    67_A     73   81   83     10   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     73   81   83     14   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     73   81   83     23   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    70_B     L    70_A     73   81   83     10   42   66   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    71_B     K    71_A     73   81   83     10   24   64   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     S    72_B     S    72_A     73   81   83     10   27   64   74   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    73_B     G    73_A     73   81   83     10   28   64   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    74_B     K    74_A     73   81   83     23   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     P    75_B     P    75_A     73   81   83      9   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    76_B     L    76_A     73   81   83     10   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     P    77_B     P    77_A     73   81   83     20   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     D    78_B     D    78_A     73   81   83      8   44   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     73   81   83     20   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    80_B     L    80_A     73   81   83      8   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     I    81_B     I    81_A     73   81   83      3   52   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     K    82_B     K    82_A     73   81   83     21   49   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     V    83_B     V    83_A     73   81   83      3   50   67   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     T    84_B     T    84_A     73   81   83      4   41   64   75   76   77   78   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     G    85_B     G    85_A      3   81   83      3    4    6   24   50   64   72   77   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     N    86_B     N    86_A      3   81   83      3    3    6   24   30   50   72   79   81   81   81   81   81   81   81   81   82   83   83   83 
LCS_GDT     L    87_B     L    87_A      3    3   83      3    3    4    4    4    6    7    7   15   17   44   51   57   70   74   79   82   83   83   83 
LCS_GDT     E    88_B     E    88_A      3    3   83      3    3    4    4    5    6    7   12   15   17   19   51   55   59   65   79   81   83   83   83 
LCS_AVERAGE  LCS_A:  92.32  (  81.62   95.33  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     31     52     67     75     76     77     78     79     81     81     81     81     81     81     81     81     82     83     83     83 
GDT PERCENT_AT  37.35  62.65  80.72  90.36  91.57  92.77  93.98  95.18  97.59  97.59  97.59  97.59  97.59  97.59  97.59  97.59  98.80 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.62   0.82   1.01   1.04   1.14   1.28   1.45   1.72   1.72   1.72   1.72   1.72   1.72   1.72   1.72   2.18   2.64   2.64   2.64
GDT RMS_ALL_AT   2.96   2.99   2.94   2.96   2.97   2.90   2.83   2.78   2.71   2.71   2.71   2.71   2.71   2.71   2.71   2.71   2.66   2.64   2.64   2.64

# Checking swapping
#   possible swapping detected:  Y    40_B      Y    40_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     7.184     0    0.624   0.776     9.047    8.690    7.186
LGA    K     7_B      K     7_A     4.601     0    0.128   0.963     6.588   40.833   33.069
LGA    P     8_B      P     8_A     3.447     0    0.018   0.034     5.612   58.214   45.374
LGA    K     9_B      K     9_A     1.854     0    0.059   1.028     5.696   77.143   53.439
LGA    A    10_B      A    10_A     2.388     0    0.059   0.089     3.435   62.857   60.286
LGA    K    11_B      K    11_A     2.027     0    0.061   1.023     6.876   68.810   53.280
LGA    R    12_B      R    12_A     1.515     0    0.202   1.134     7.565   70.833   48.355
LGA    T    13_B      T    13_A     0.895     0    0.023   0.037     1.106   90.476   89.184
LGA    W    14_B      W    14_A     0.492     0    0.073   0.237     1.998   95.238   87.483
LGA    S    15_B      S    15_A     0.842     0    0.025   0.068     1.076   90.476   88.968
LGA    K    16_B      K    16_A     0.960     0    0.030   1.154     4.909   88.214   75.397
LGA    E    17_B      E    17_A     1.213     0    0.008   0.747     3.228   81.429   72.434
LGA    E    18_B      E    18_A     0.790     0    0.030   0.254     1.273   90.476   89.471
LGA    E    19_B      E    19_A     0.658     0    0.012   0.231     1.562   90.476   89.577
LGA    E    20_B      E    20_A     0.927     0    0.043   0.166     2.079   88.214   80.688
LGA    A    21_B      A    21_A     0.631     0    0.022   0.027     0.724   90.476   90.476
LGA    L    22_B      L    22_A     0.473     0    0.027   1.360     3.626   95.238   82.738
LGA    V    23_B      V    23_A     0.680     0    0.035   0.059     0.844   90.476   90.476
LGA    E    24_B      E    24_A     0.713     0    0.019   0.153     1.309   92.857   88.519
LGA    G    25_B      G    25_A     0.322     0    0.097   0.097     0.527   97.619   97.619
LGA    L    26_B      L    26_A     0.757     0    0.012   0.133     1.024   90.476   88.214
LGA    K    27_B      K    27_A     0.667     0    0.075   0.584     1.878   90.476   87.513
LGA    E    28_B      E    28_A     0.393     0    0.016   0.231     1.182   95.238   92.646
LGA    V    29_B      V    29_A     0.620     0    0.040   0.077     0.983   92.857   94.558
LGA    G    30_B      G    30_A     1.135     0    0.091   0.091     1.135   88.214   88.214
LGA    P    31_B      P    31_A     0.731     0    0.079   0.108     1.207   92.857   89.252
LGA    S    32_B      S    32_A     0.327     0    0.049   0.743     3.075  100.000   90.079
LGA    W    33_B      W    33_A     0.195     0    0.051   0.297     2.518  100.000   83.367
LGA    S    34_B      S    34_A     0.215     0    0.078   0.098     0.673  100.000   98.413
LGA    K    35_B      K    35_A     0.263     0    0.019   0.657     2.596   97.619   89.048
LGA    I    36_B      I    36_A     0.398     0    0.047   0.128     0.619   95.238   95.238
LGA    L    37_B      L    37_A     1.052     0    0.106   1.366     3.427   83.690   77.560
LGA    D    38_B      D    38_A     1.239     0    0.025   0.085     1.806   81.429   78.214
LGA    L    39_B      L    39_A     0.573     0    0.048   0.268     0.658   92.857   94.048
LGA    Y    40_B      Y    40_A     0.106     0    0.042   0.127     1.782  100.000   90.714
LGA    G    41_B      G    41_A     1.041     0    0.109   0.109     1.312   83.690   83.690
LGA    P    42_B      P    42_A     1.991     0    0.025   0.093     2.979   77.143   70.748
LGA    G    43_B      G    43_A     1.286     0    0.114   0.114     1.583   79.286   79.286
LGA    G    44_B      G    44_A     1.375     0    0.215   0.215     1.831   79.286   79.286
LGA    K    45_B      K    45_A     1.152     0    0.047   0.590     3.273   83.690   71.005
LGA    I    46_B      I    46_A     0.941     0    0.481   1.238     2.466   81.786   79.583
LGA    T    47_B      T    47_A     1.350     0    0.217   0.945     2.446   75.119   73.061
LGA    E    48_B      E    48_A     0.438     0    0.070   0.117     1.682   97.619   88.677
LGA    N    49_B      N    49_A     0.546     0    0.093   0.245     1.486   88.214   87.083
LGA    L    50_B      L    50_A     0.111     0    0.268   0.294     1.249   95.357   97.679
LGA    K    51_B      K    51_A     0.896     0    0.693   0.749     2.995   79.881   78.095
LGA    N    52_B      N    52_A     1.780     0    0.105   1.091     4.498   77.143   70.714
LGA    R    53_B      R    53_A     1.216     0    0.049   0.174     1.561   79.286   83.939
LGA    T    54_B      T    54_A     0.613     0    0.044   0.086     0.744   92.857   93.197
LGA    Q    55_B      Q    55_A     0.170     0    0.027   0.200     1.213  100.000   95.820
LGA    V    56_B      V    56_A     0.152     0    0.053   0.056     0.264  100.000  100.000
LGA    Q    57_B      Q    57_A     0.257     0    0.013   0.236     1.437  100.000   94.762
LGA    L    58_B      L    58_A     0.490     0    0.026   0.134     0.908   97.619   94.048
LGA    K    59_B      K    59_A     0.406     0    0.017   0.778     5.257   97.619   80.212
LGA    D    60_B      D    60_A     0.304     0    0.033   0.796     3.539  100.000   84.107
LGA    K    61_B      K    61_A     0.324     0    0.015   0.532     1.857  100.000   94.921
LGA    A    62_B      A    62_A     0.247     0    0.015   0.015     0.384  100.000  100.000
LGA    R    63_B      R    63_A     0.622     0    0.018   0.921     4.689   92.857   74.805
LGA    N    64_B      N    64_A     0.574     0    0.018   0.167     0.657   90.476   91.667
LGA    W    65_B      W    65_A     0.365     0    0.022   0.140     1.538   95.238   90.646
LGA    K    66_B      K    66_A     0.979     0    0.032   0.625     4.187   85.952   71.481
LGA    L    67_B      L    67_A     1.405     0    0.026   0.051     1.722   79.286   79.286
LGA    Q    68_B      Q    68_A     1.255     0    0.038   0.134     1.506   79.286   80.476
LGA    Y    69_B      Y    69_A     0.957     0    0.014   0.165     1.272   85.952   88.214
LGA    L    70_B      L    70_A     1.746     0    0.035   0.141     2.325   72.976   69.881
LGA    K    71_B      K    71_A     2.405     0    0.008   1.395     5.690   60.952   57.672
LGA    S    72_B      S    72_A     2.383     0    0.008   0.059     2.491   64.762   64.762
LGA    G    73_B      G    73_A     2.130     0    0.078   0.078     2.139   68.810   68.810
LGA    K    74_B      K    74_A     0.653     0    0.009   0.987     5.985   88.214   71.799
LGA    P    75_B      P    75_A     1.172     0    0.025   0.034     1.361   85.952   85.306
LGA    L    76_B      L    76_A     1.332     0    0.033   1.285     3.220   75.119   69.167
LGA    P    77_B      P    77_A     1.561     0    0.035   0.051     1.721   75.000   79.048
LGA    D    78_B      D    78_A     2.329     0    0.009   0.249     2.836   66.786   62.917
LGA    Y    79_B      Y    79_A     1.288     0    0.142   0.169     1.618   79.286   83.730
LGA    L    80_B      L    80_A     1.042     0    0.182   0.209     1.556   79.286   84.881
LGA    I    81_B      I    81_A     1.559     0    0.032   0.680     2.564   79.286   75.298
LGA    K    82_B      K    82_A     0.671     0    0.132   0.728     3.179   92.857   79.312
LGA    V    83_B      V    83_A     1.385     0    0.600   0.535     3.467   73.571   73.333
LGA    T    84_B      T    84_A     1.468     0    0.059   0.099     6.253   59.762   47.211
LGA    G    85_B      G    85_A     5.537     0    0.630   0.630     6.342   27.500   27.500
LGA    N    86_B      N    86_A     6.072     0    0.663   1.057    10.640   10.000   25.595
LGA    L    87_B      L    87_A    12.888     0    0.064   1.367    17.127    0.000    0.000
LGA    E    88_B      E    88_A    15.087     0    0.038   1.047    20.047    0.000    0.000

# 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):     2.642          2.726                  3.182           80.780   76.431

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     79    1.45    86.446    91.523     5.096

LGA_LOCAL      RMSD:   1.450  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.782  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.642  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.452024 * X  +  -0.854225 * Y  +   0.256853 * Z  +  20.447330
  Y_new =  -0.876853 * X  +   0.372675 * Y  +  -0.303713 * Z  + -29.335442
  Z_new =   0.163717 * X  +  -0.362508 * Y  +  -0.917488 * Z  +   6.754096 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.046772 -0.164457 -2.765309   [DEG: -117.2714   -9.4227 -158.4406 ]
ZXZ:  0.701999  2.732515  2.717391   [DEG:   40.2216  156.5616  155.6950 ]
 
# END of job
