SymD version 1.61: /u/aa606/software/symd1.61/src/symd1.61-linux -mxna 457 /u/aa606/PycharmProjects/MemSTATS_benchamark_results/temp/cesymm_from_symd/2zup_B_42-99/2zup.B_42-99
! Protein Name:  2zup.B_42-99
! Protein Size:     58
! Best IS:         -37
! N-aligned at best IS:   40
! Ts/Nr at best IS:  0.5120
! TM/Nr at best IS:  0.5600
! Z(TsC), Z(Ts), Z(TM) at best IS:   7.88,  3.64,  3.56
! RMSD at best IS:     1.367
! Highest-scoring angle:      180.0
! Highest-scoring p-transl:   -0.00
! Derived unit angle:         180.0
! Derived unit p-transl:      -0.00
! Average rise along the symmetry axis between symm. equivalent atoms before flipping:   -0.03
! Sum of rotation angles around the symmetry axis before flipping:  303.23
!
AS = average shift.
aas = average absolute value of shifts.
nm = number of aligned residues.
nma = number of non-self aligned residues.
idm = 1, if rotation matrix was set to identity.
idm = 2, if rotation matrix was set to identity and translation was set arbitrarily to the unit vector along the z-axis.
S? = 1 if signal; = 0 if background noise.
!                            Rotation Parallel  
!  IS     AS    aas   nm  nma  angle  transl. idm nma/nr   Ts/nr   TM/nr Zc(Ts) Z1(Ts) Z1(Tm) S?   Ux       Uy       Uz
  -55    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
  -54    4.0    4.0    4    4  115.1    5.78   0  0.0690  0.0390  0.0459  -0.33  -2.01  -2.06  0 -0.30346  0.67242  0.67511 
  -53    5.0    5.0    5    5  240.6  -13.76   0  0.0862  0.0500  0.0570  -0.13  -1.88  -1.94  0 -0.30368 -0.88106  0.36265 
  -52    6.0    6.0    6    6  205.9   -6.77   0  0.1034  0.0443  0.0553  -0.23  -1.94  -1.96  1 -0.65554 -0.30090  0.69262 
  -51    0.0    7.0   12   12  180.0    0.00   0  0.2069  0.1212  0.1416   1.10  -1.02  -1.01  1 -0.88249  0.03607  0.46895 
  -50    8.0    8.0    7    7  176.2  -10.79   0  0.1207  0.0794  0.0902   0.38  -1.52  -1.57  0  0.36498 -0.88326 -0.29435 
  -49    9.0    9.0    8    8  189.9   -9.29   0  0.1379  0.0907  0.1029   0.57  -1.39  -1.43  1 -0.44871 -0.89313 -0.03130 
  -48   10.0   10.0    9    9  200.5   -0.93   0  0.1552  0.1016  0.1151   0.76  -1.26  -1.30  1 -0.94032 -0.27233  0.20407 
  -47   11.0   11.0   10   10  199.5    7.57   0  0.1724  0.1187  0.1323   1.06  -1.06  -1.11  0 -0.79455  0.52551  0.30420 
  -46   12.0   12.0   11   11  172.5  -10.35   0  0.1897  0.1360  0.1503   1.36  -0.85  -0.92  0  0.07674 -0.97371 -0.21447 
  -45   13.0   13.0   12   12  187.5   -6.02   0  0.2069  0.1594  0.1726   1.76  -0.57  -0.67  1 -0.63866 -0.76949  0.00112 
  -44    7.1   13.2   18   18  191.5    0.97   0  0.3103  0.1455  0.1780   1.52  -0.73  -0.61  1 -0.95801 -0.14780  0.24572 
  -43   15.0   15.0   14   14  198.5    8.96   0  0.2414  0.1649  0.1840   1.86  -0.50  -0.55  0 -0.61040  0.72437  0.32047 
  -42   16.0   16.0   15   15  170.7   -8.79   0  0.2586  0.1872  0.2074   2.25  -0.24  -0.29  0 -0.16141 -0.97159 -0.17307 
  -41   -0.5   17.0   33   33  178.6   -0.20   0  0.5690  0.3326  0.3816   4.77   1.50   1.61  1 -0.89999 -0.41389  0.13682 
  -40   18.0   18.0   17   17  195.3    5.02   0  0.2931  0.2263  0.2446   2.93   0.23   0.11  1 -0.94733  0.16345  0.27541 
  -39   19.0   19.0   18   18  196.0    9.39   0  0.3103  0.2145  0.2384   2.72   0.09   0.05  0 -0.43981  0.84386  0.30734 
  -38   20.0   20.0   19   19  173.1   -6.54   0  0.3276  0.2477  0.2705   3.30   0.49   0.40  0 -0.40089 -0.90811 -0.12094 
  -37    0.0   21.0   40   40  180.0   -0.00   0  0.6897  0.5120  0.5600   7.88   3.64   3.56  1 -0.89393 -0.43789  0.09560 
  -36   22.0   22.0   22   22  192.1    7.50   0  0.3793  0.2476  0.2788   3.30   0.48   0.49  0 -0.88765  0.36677  0.27850 
  -35   23.2   23.2   22   22  167.9   -9.46   0  0.3793  0.2398  0.2737   3.16   0.39   0.43  0  0.23039 -0.94520 -0.23136 
  -34    1.6   24.0   45   45  181.6    0.23   0  0.7759  0.3426  0.4168   4.94   1.62   2.00  1 -0.82140 -0.56988  0.02340 
  -33    0.0   25.0   48   48  180.0   -0.00   0  0.8276  0.3782  0.4616   5.56   2.04   2.49  1 -0.87458 -0.47859  0.07783 
  -32   26.0   26.0   26   26  192.3    8.88   0  0.4483  0.2737  0.3063   3.75   0.80   0.79  0 -0.78029  0.55428  0.28970 
  -31   26.7   26.7   25   25  193.1    9.41   0  0.4310  0.2229  0.2652   2.87   0.19   0.34  0 -0.44668  0.85122  0.27552 
  -30   -3.3   26.8   43   43  187.7    0.15   0  0.7414  0.3284  0.4093   4.70   1.45   1.91  1 -0.85427 -0.51450  0.07430 
  -29  -28.7   28.7   25   25  190.3    5.63   0  0.4310  0.2773  0.3160   3.81   0.84   0.89  1 -0.97584  0.06072  0.20987 
  -28  -27.8   27.8   25   25  193.2    9.40   0  0.4310  0.3169  0.3451   4.50   1.31   1.21  0 -0.59828  0.74971  0.28283 
  -27  -27.8   27.8   22   22  190.9    9.07   0  0.3793  0.2936  0.3199   4.09   1.03   0.94  0 -0.52308  0.81475  0.25014 
  -26  -26.9   26.9   38   38  191.1    0.06   0  0.6552  0.2514  0.3244   3.36   0.53   0.99  1 -0.80940 -0.58450  0.05688 
  -25  -27.8   27.8   25   25  193.4    9.32   0  0.4310  0.3171  0.3456   4.50   1.31   1.22  0 -0.58121  0.76538  0.27638 
  -24  -27.0   27.0   27   27  172.5   -7.23   0  0.4655  0.2364  0.2806   3.10   0.35   0.51  0 -0.10798 -0.98340 -0.14584 
  -23  -26.7   26.7   25   25  172.8   -6.66   0  0.4310  0.2735  0.3117   3.75   0.79   0.85  0 -0.18604 -0.97328 -0.13461 
  -22  -26.8   26.8   25   25  171.8   -6.95   0  0.4310  0.2709  0.3101   3.70   0.76   0.83  0 -0.15145 -0.97758 -0.14632 
  -21   -7.1   22.4   29   29  181.3   -0.13   0  0.5000  0.2772  0.3253   3.81   0.84   1.00  1 -0.72195 -0.69191  0.00662 
  -20  -22.7   22.7   21   21  174.4   -4.48   0  0.3621  0.2315  0.2622   3.02   0.29   0.31  0 -0.38745 -0.91830 -0.08131 
  -19  -22.7   22.7   21   21  174.4   -4.48   0  0.3621  0.2315  0.2622   3.02   0.29   0.31  0 -0.38745 -0.91830 -0.08131 
  -18    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
  -17    7.9   28.3   39   39  180.4   -0.28   0  0.6724  0.3838  0.4484   5.66   2.11   2.34  1 -0.80428 -0.59392  0.01986 
  -16    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
  -15    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
  -14    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
  -13   -3.0    3.0   19   19   79.0   -4.04   0  0.3276  0.1843  0.2160   2.20  -0.27  -0.20  0 -0.28478  0.18184 -0.94119 
  -12   -3.0    3.0   17   17   66.7   -4.23   0  0.2931  0.2194  0.2403   2.81   0.15   0.07  0 -0.38019  0.14854 -0.91290 
  -11    0.0    0.0   28    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
  -10   -1.4    1.4   48   17  355.0    0.40   0  0.2931  0.0679  0.0961   0.18  -1.66  -1.51  1 -0.74684 -0.59994 -0.28689 
   -9   -1.5    1.5   49   18  354.8    0.48   0  0.3103  0.0733  0.1035   0.27  -1.60  -1.43  1 -0.72406 -0.60666 -0.32818 
   -8   -1.8    1.8   50   22  354.0    0.05   0  0.3793  0.1039  0.1432   0.80  -1.23  -0.99  1 -0.61563 -0.77043 -0.16564 
   -7    0.0    0.0   51    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   -6   -1.3    1.3   52   23  352.0    1.62   0  0.3966  0.1171  0.1570   1.03  -1.07  -0.84  0 -0.54550 -0.15736 -0.82321 
   -5    0.0    0.0   53    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   -4    0.0    0.0   54    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   -3    0.0    0.0   55    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   -2    0.0    0.0   56    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   -1    0.0    0.0   57    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    1    0.0    0.0   57    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    2    0.0    0.0   56    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    3    0.0    0.0   55    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    4    0.0    0.0   54    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    5    0.0    0.0   53    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    6    0.0    0.0   52    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    7    0.0    0.0   51    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
    8    2.2    2.2   45   25    6.3    2.36   0  0.4310  0.1417  0.1885   1.46  -0.78  -0.50  0 -0.17121 -0.82911  0.53222 
    9    2.0    2.0   44   22    4.3    1.89   0  0.3793  0.1090  0.1486   0.89  -1.17  -0.94  0 -0.25553 -0.86506  0.43172 
   10    2.2    4.0   32   32    9.1    5.47   0  0.5517  0.3526  0.4009   5.12   1.74   1.82  0  0.32692 -0.55774  0.76292 
   11    0.0    0.0   47    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   12    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   13    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   14    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   15    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   16    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
   17    2.9   28.1   40   40  178.6    0.15   0  0.6897  0.4540  0.5155   6.88   2.95   3.07  1 -0.81243 -0.57977  0.06183 
   18    3.5   28.0   41   41  178.6    0.14   0  0.7069  0.4702  0.5320   7.16   3.14   3.26  1 -0.81322 -0.57871  0.06139 
   19    3.1   22.9   35   35  181.0    0.33   0  0.6034  0.3219  0.3762   4.58   1.37   1.55  1 -0.71414 -0.69759  0.05814 
   20    2.6   22.9   34   34  180.6    0.08   0  0.5862  0.3065  0.3643   4.32   1.19   1.42  1 -0.71904 -0.69482  0.01427 
   21    2.4   22.9   36   36  181.0    0.09   0  0.6207  0.3112  0.3708   4.40   1.24   1.49  1 -0.72674 -0.68644  0.02548 
   22   26.8   26.8   25   25  188.2    6.95   0  0.4310  0.2709  0.3101   3.70   0.76   0.83  0 -0.15145 -0.97758 -0.14632 
   23   26.7   26.7   25   25  187.2    6.66   0  0.4310  0.2735  0.3117   3.75   0.79   0.85  0 -0.18604 -0.97328 -0.13461 
   24   27.0   27.0   27   27  187.5    7.23   0  0.4655  0.2364  0.2806   3.10   0.35   0.51  0 -0.10798 -0.98340 -0.14584 
   25   27.8   27.8   25   25  166.6   -9.32   0  0.4310  0.3171  0.3456   4.50   1.31   1.22  0 -0.58121  0.76538  0.27638 
   26    8.4   28.2   51   51  176.3   -0.17   0  0.8793  0.4425  0.5257   6.68   2.81   3.19  1 -0.81949 -0.57165  0.04061 
   27   27.8   27.8   22   22  169.1   -9.07   0  0.3793  0.2936  0.3199   4.09   1.03   0.94  0 -0.52308  0.81475  0.25014 
   28   27.8   27.8   25   25  166.8   -9.40   0  0.4310  0.3169  0.3451   4.50   1.31   1.21  0 -0.59828  0.74971  0.28283 
   29   20.7   28.7   28   28  171.4   -4.19   0  0.4828  0.2644  0.3056   3.59   0.68   0.78  1 -0.97674 -0.11347  0.18197 
   30    3.3   26.8   43   43  172.3   -0.15   0  0.7414  0.3284  0.4093   4.70   1.45   1.91  1 -0.85427 -0.51450  0.07430 
   31  -26.5   26.5   26   26  165.6   -8.68   0  0.4483  0.3025  0.3358   4.25   1.14   1.11  0 -0.80822  0.52361  0.26947 
   32  -26.0   26.0   26   26  167.7   -8.88   0  0.4483  0.2737  0.3063   3.75   0.80   0.79  0 -0.78029  0.55428  0.28970 
   33    0.0   25.0   48   48  180.0   -0.00   0  0.8276  0.3782  0.4616   5.56   2.04   2.49  1 -0.87458 -0.47859  0.07783 
   34   -1.6   24.0   45   45  178.4   -0.23   0  0.7759  0.3426  0.4168   4.94   1.62   2.00  1 -0.82140 -0.56988  0.02340 
   35  -23.2   23.2   22   22  192.1    9.46   0  0.3793  0.2398  0.2737   3.16   0.39   0.43  0  0.23039 -0.94520 -0.23136 
   36  -22.0   22.0   22   22  167.9   -7.50   0  0.3793  0.2476  0.2788   3.30   0.48   0.49  0 -0.88765  0.36677  0.27850 
   37    0.0   21.0   40   40  180.0   -0.00   0  0.6897  0.5120  0.5600   7.88   3.64   3.56  1 -0.89393 -0.43789  0.09560 
   38  -20.0   20.0   19   19  186.9    6.54   0  0.3276  0.2477  0.2705   3.30   0.49   0.40  0 -0.40089 -0.90811 -0.12094 
   39  -19.0   19.0   18   18  164.0   -9.39   0  0.3103  0.2145  0.2384   2.72   0.09   0.05  0 -0.43981  0.84386  0.30734 
   40  -18.0   18.0   17   17  164.7   -5.02   0  0.2931  0.2263  0.2446   2.93   0.23   0.11  1 -0.94733  0.16345  0.27541 
   41    0.5   17.0   33   33  181.4    0.20   0  0.5690  0.3326  0.3816   4.77   1.50   1.61  1 -0.89999 -0.41389  0.13682 
   42  -16.0   16.0   15   15  189.3    8.79   0  0.2586  0.1872  0.2074   2.25  -0.24  -0.29  0 -0.16141 -0.97159 -0.17307 
   43  -15.0   15.0   14   14  161.5   -8.96   0  0.2414  0.1649  0.1840   1.86  -0.50  -0.55  0 -0.61040  0.72437  0.32047 
   44   -7.1   13.2   18   18  168.5   -0.97   0  0.3103  0.1455  0.1780   1.52  -0.73  -0.61  1 -0.95801 -0.14780  0.24572 
   45  -13.0   13.0   12   12  172.5    6.02   0  0.2069  0.1594  0.1726   1.76  -0.57  -0.67  1 -0.63866 -0.76949  0.00112 
   46  -12.0   12.0   11   11  187.5   10.35   0  0.1897  0.1360  0.1503   1.36  -0.85  -0.92  0  0.07674 -0.97371 -0.21447 
   47  -11.0   11.0   10   10  160.5   -7.57   0  0.1724  0.1187  0.1323   1.06  -1.06  -1.11  0 -0.79455  0.52551  0.30420 
   48  -10.0   10.0    9    9  159.5    0.93   0  0.1552  0.1016  0.1151   0.76  -1.26  -1.30  1 -0.94032 -0.27233  0.20407 
   49   -9.0    9.0    8    8  170.1    9.29   0  0.1379  0.0907  0.1029   0.57  -1.39  -1.43  1 -0.44871 -0.89313 -0.03130 
   50   -8.0    8.0    7    7  183.8   10.79   0  0.1207  0.0794  0.0902   0.38  -1.52  -1.57  0  0.36498 -0.88326 -0.29435 
   51    0.0    7.0   12   12  180.0    0.00   0  0.2069  0.1212  0.1416   1.10  -1.02  -1.01  1 -0.88249  0.03607  0.46895 
   52   -6.0    6.0    6    6  154.1    6.77   0  0.1034  0.0443  0.0553  -0.23  -1.94  -1.96  1 -0.65554 -0.30090  0.69262 
   53   -5.0    5.0    5    5  119.4   13.76   0  0.0862  0.0500  0.0570  -0.13  -1.88  -1.94  0 -0.30368 -0.88106  0.36265 
   54   -4.0    4.0    4    4  244.9   -5.78   0  0.0690  0.0390  0.0459  -0.33  -2.01  -2.06  0 -0.30346  0.67242  0.67511 
   55    0.0    0.0    0    0    0.0    0.00   2  0.0000  0.0000  0.0000  -1.00  -2.47  -2.56  0  0.00000  0.00000  1.00000 
