Rank | Topology | Shift | Rot | CE | RMSD |
---|
1 | 123100 | [-1, 1, 1] | [1.57, 1.57. 1.57] | -2.066887 | 7.224 |
2 | 123100 | [-1, 1, -1] | [1.57, 1.57. 3.66] | -2.066817 | 7.517 |
... | ... | ... | ... | ... | ... |
17 | 123000 | [1, 0, 1] | [5.76, 3.14, 1.57] | -2.004894 | 4.781 |
... | ... | ... | ... | ... | ... |
32066 | 123011 | [1, -1, -1] | [1.05, 1.05, 0] | 1.09E-4 | 12.979 |
- Rank: the rank of the structure by the contact energy (5th column)
- Topology: the topology Id, the 1st half of the digits: permutation of the assignment, the last half of the digits: directions (0 or 1) of the assignment for each helix;
- Shift: the amino acid position shift from the true helix segment for each assignment, "-" left, "+" right;
- Rot: rotation angle around the skeleton axis for each helix, in radian;
- CE: Effective contact energy of the constructed helices;
- RMSD: the root mean square deviation of the Cα atoms between the constructed candidate structure and the native structure, in Å.