. 2004 Apr;86(4):2445–2454. doi: 10.1016/S0006-3495(04)74301-5

TABLE 2.

Monte Carlo simulated annealing of C-tail rhodopsin/arrestin: residue-residue interaction distances in Å

Simulation	Structure	S³³⁴-K¹⁴	S³³⁸-K¹⁴	T³⁴⁰-K¹⁴	S³³⁴-K¹⁵	S³³⁸-K¹⁵	T³⁴⁰-K¹⁵
1. Wild-type	in	13.6	12.6	14.6	13.4	6.9	9.6
1. Wild-type	fn	15.9	9.7	11.9	14.5	8.0	9.7
2. All-D mutant^*	in	14.3	13.1	14.2	13.3	8.2	9.4
2. All-D mutant^*	fn	10.1	18.6	18.5	3.7	10.3	10.8
3. All-D mutant^†	in	23.8	25.5	24.4	16.1	15.9	12.3
3. All-D mutant^†	fn	24.4	24.6	24.4	16.2	14.9	12.8
4. All-D mutant^‡	in	15.16	7.3	8.0	14.68	9.03	16.9
4. All-D mutant^‡	fn	14.83	7.41	6.2	14.42	8.7	15.96
5. S^334D:T^340D^*	in	14.3	NA	14.2	13.3	NA	9.36
5. S^334D:T^340D^*	fn	17.3	NA	17.1	16.1	NA	14.9
6. S^334D:T^340D^†	in	23.8	NA	24.4	16.1	NA	12.3
6. S^334D:T^340D^†	fn	24.5	NA	24.3	16.7	NA	11.9
7. S^334D:T^340D^‡	in	20.3	NA	13.6	11.7	NA	9.1
7. S^334D:T^340D^‡	fn	21.6	NA	8.9	13.1	NA	7.6
8. S^334D:S^338D:T^340D^*	in	14.3	13.1	14.2	13.3	8.2	9.6
8. S^334D:S^338D:T^340D^*	fn	16.8	8.4	19.2	15.6	11.9	21.3
9. S^334D:S^338D:T^340D^†	in	25.1	23.6	16.9	15.2	13.2	5.2
9. S^334D:S^338D:T^340D^†	fn	25.4	23.9	16.6	15.2	13.2	4.9
10. S^334D:S^338D:T^340D^‡	in	16.1	21.2	14.3	14.9	13.9	5.4
10. S^334D:S^338D:T^340D^‡	fn	15.6	20.7	15.8	14.9	13.2	4.7
11. All-E mutant^*	in	16.96	11.95	13.44	19.92	6.18	8.05
11. All-E mutant^*	fn	17.70	6.65	16.18	18.40	13.22	22.26
12. S^334E:T^340E^*	in	14.24	NA	16.29	15.56	NA	9.05
12. S^334E:T^340E^*	fn	17.76	NA	9.26	17.07	NA	17.12
13. S^338E:T^340E^*	in	NA	14.3	16.29	NA	6.2	9.0
13. S^338E:T^340E^*	fn	NA	14.2	19.09	NA	10.6	15.1
14. S^334E^*	in	14.3	NA	NA	15.6	NA	NA
14. S^334E^*	fn	17.4	NA	NA	16.9	NA	NA
15. T^340E^*	in	NA	NA	16.3	NA	NA	9.0
15. T^340E^*	fn	NA	NA	15.3	NA	NA	15.4

Key: in, initial state; fn, final state.

Parallel orientation (Fig. 2).

^†

Perpendicular orientation (Fig. 3).

^‡

Parallel orientation, different initial conformation of the rhodopsin tail analogue (Fig. 5).