Last modified on 18 April 2012.

Table 5: Optimized CG Parameters for the Interaction Term Described by Equation 8

torsion V1 delta1 V2 delta2 V3 delta3
1'-2-3-4a 3.354 120 -0.606 180 -0.068 120
1'-2-3-9 3.801 120 0.383 180 -0.287 120
1-2-1?-2? 1.358 0 0.944 180 0.574 0
1-2-3-4 2.964 15 -0.099 180 -0.247 15
1?-2-3-5 3.603 120 1.167 180 -0.325 120
1-2-3-5 3.768 0 0.52 180 0.581 0
1?-2-3-6 3.409 120 -0.265 180 -0.226 120
1-2-3-6 3.077 30 0.306 180 0.246 30
1-2-3-9 3.299 15 0.634 180 -0.204 15
1?-2-8-4 3.461 120 -0.617 180 0.294 120
1-2-8-4 3.321 30 1.121 180 -0.156 30
1?-2-8-6 2.737 120 -0.666 180 0.148 120
1-2-8-6 2.51 30 0.518 180 -0.17 30
1?-2-8-7 3.304 120 1.349 180 -0.342 120
1-2-8-7 3.844 0 0.567 180 0.534 0
2-1-2?-1? -1.626 135 -0.113 180 -0.246 135
2?-1?-2-3 -1.661 60 0.455 180 0.311 60
2?-1-2-3 1.387 120 0.898 180 -0.516 120
2?-1?-2-8 -1.531 45 0.489 180 0.686 45
2?-1-2-8 1.38 135 0.908 180 -0.691 135
2-3-4-9 7.114 150 -2.4 180 0.516 150
2-3-5-6 -3.328 120 0.95 180 0.101 120
2-3-6-5 5.639 150 -2.063 180 -0.009 150
2-3-9-4 2.959 15 -1.022 180 0.666 15
2-8-4-7 5.024 165 -1.509 180 -1.807 165
2-8-6-7 4.756 165 -1.037 180 -1.455 165
2-8-7-4 -4.072 150 0.544 180 -0.144 150
2-8-7-6 3.51 0 0.425 180 0.457 0

a The prime in the table indicates the atom comes from its neighbor residue.