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Mean values of the side chain torsion angles of Q148 in the 4f-bound HIV-1 intasome observed in 30 ns MD simulations and those in the cryo-EM structure of the apo HIV-1 intasome.
| Structure | χ1 N-CA-CB-CG |
χ2 CA-CB-CG-CD |
χ3 CB-CG-CD-OE1 |
|---|---|---|---|
| 4f-bound (extended) | −66.0° | 91.5° | 42.8° |
| 4f-bound (bent) | −59.7° | 145.7° | −120.1° |
| Apo | −49.3° | 103.4° | 29.5° |
