Figure 4.
Illustration examples of the multi-domain assembly and TM-structure packing. (A) Multi-domain modeling for UniProt ID: Q6ZMI9. The N-terminal domain was excised from the UniProt sequence following the ThreaDom linker prediction. This globular domain and the core TM-domain were modeled separately by I-TASSER and GPCR-I-TASSER; the final model was assembled from the structure of two domains with the domain orientation decided by the full-chain GPCR-I-TASSER model. A FG-MD refinement was finally conducted on the full-chain models to eliminate possible steric clashes. (B) GPCR-I-TASSER models for UniProt ID: Q8NGQ3. The left panel shows the model generated when the membrane repulsive energy was turned off, where the N-terminal tail entered into the transmembrane region. The right panel shows that the tails were moved out of the membrane when the membrane repulsive energy in Eq. S4 was included.