I-TASSER-MTD is a hierarchical protocol to predict structures and functions of
multi-domain (MTD) proteins.
It first predicts the domain boundaries by
FUpred and
ThreaDom
based on the deep-learning contact-map prediction and multiple threading alignments.
Next, the structure model of each individual domain is constructed independently
by
I-TASSER
guided by the deep learning predicted spatial restraints.
Finally, the individual domain models are assembled into full-length structure by
DEMO
under guidance of quaternary structural templates and deep-learning distance profiles.
Meanwhile, the protein functions at both domain level and full-chain level are annotated by
COFACTOR
based on structures, sequences, and protein-protein interaction networks.
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References:
- Xiaogen Zhou, Wei Zheng, Yang Li, Robin Pearce, Chengxin Zhang, Eric W. Bell, Guijun Zhang, and Yang Zhang.
I-TASSER-MTD: A deep-learning based platform for multi-domain protein structure and function prediction,
Nature Protocols, 17: 2326–2353 (2022).
- Xiaogen Zhou, Jun Hu, Chengxin Zhang, Guijun Zhang, Yang Zhang.
Assembling multidomain protein structures through analogous global structural alignments.
Proceedings of the National Academy of Sciences, 116: 15930-15938 (2019).