Bax Group DC Server - Alignment Tensors Orthogonalization Using SVD

Alignment Tensors Input Alignment Tensors At least 2 sets of tensors are required (see left for an example input). List in each row five components of each alignment tensor, separated by spaces and in an order of : S_zz, (1/√3)(S_xx-S_yy), (2/√3)(S_xy), (2/√3)(S_xz), (2/√3)(S_yz) All tenosor components need to be normalized to a same alignment magnitude see an example input set of 9 tensors at left input box and more details in the reference 5.851 -8.457 4.840 -14.787 10.106 10.292 -7.778 2.398 -15.322 11.170 11.287 -1.584 1.980 -13.366 11.683 8.636 -9.026 2.338 -15.325 9.610 10.526 -1.930 1.930 -14.825 11.228 -2.978 10.787 -3.427 15.843 -4.045 -7.662 12.662 -0.325 13.312 -7.078 -9.695 11.145 0.916 14.580 -7.405 -5.426 9.641 -4.439 15.426 -6.547
Experimental RDCs (Optional) Experimental ¹H-¹⁵N RDCs See left for an example input, leave blank if no RDCs inputs are available Format of each line is residue number followed by RDC value from each set. The order of RDC columns must match the order of input tensors above. All RDCs need to be normalized to a same alignment magnitude as that of input tensors above see an example input of 9 sets of RDC data at left input box and more details in the reference 3 13.40 12.45 13.26 12.01 14.91 -9.32 -7.46 -7.70 -10.44 4 11.06 12.04 14.25 10.06 14.29 -4.83 -3.96 -5.41 -7.21 5 0.74 3.33 7.42 0.84 7.36 5.11 2.92 1.06 2.46 6 4.25 3.97 5.54 2.66 5.08 -0.50 -1.10 0.07 -1.83 7 11.22 11.05 12.87 9.54 13.85 -5.78 -5.12 -6.10 -8.34 8 4.04 6.14 11.08 4.02 11.84 2.64 1.42 -0.68 -1.56 10 5.53 5.26 7.72 4.02 9.38 0.22 0.45 -0.91 -1.56 11 7.97 8.83 12.47 6.75 11.75 -1.96 -1.94 -3.66 -4.70 12 -0.42 2.04 7.42 -0.06 4.64 7.13 3.76 2.13 4.43 13 -12.39 -15.14 -15.44 -14.09 -16.22 10.05 11.55 13.74 10.94 14 11.27 10.11 9.50 9.22 9.73 -7.97 -5.90 -5.64 -8.87 15 9.04 9.70 12.97 7.85 10.96 -2.41 -2.33 -3.20 -5.02 16 19.09 18.42 16.53 18.11 15.87 -16.29 -14.93 -15.26 -18.20 17 10.95 9.00 7.92 8.63 8.59 -8.31 -5.64 -5.03 -8.87 18 5.85 5.90 8.11 3.89 8.24 -0.11 -0.32 -0.83 -2.55 19 11.27 11.81 14.05 10.00 12.54 -6.06 -5.38 -4.12 -8.43 20 16.96 15.26 12.87 14.93 13.59 -15.44 -12.72 -12.90 -15.65 21 2.87 0.11 1.08 0.51 0.52 -0.28 2.01 2.59 -0.67 22 3.98 3.04 5.94 2.14 5.78 0.95 1.23 0.83 -1.34 23 18.93 18.12 14.65 17.72 17.45 -16.91 -15.00 -14.88 -17.93

Orthogonalization Output SVD V Matrix Transformation matrix from experimental RDCs to orthogonal RDC sets SVD Unitary Matrix SVD S Matrix Orthogonalized Alignment Tensors Five components and Da/Rh of each tensor are listed in an order of : S_zz (1/√3)(S_xx-S_yy) (2/√3)(S_xy) (2/√3)(S_xz) (2/√3)(S_yz) Da Rh Orthogonalized RDCs