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. Author manuscript; available in PMC: 2015 Sep 22.
Published in final edited form as: J Phys Chem B. 2009 Mar 19;113(11):3565–3571. doi: 10.1021/jp809810z

Table 3.

Detailed residue-residue contacts in binding of Bcl-xL with Bak, HBS2a and HBS2b.

Bcl-xL Bak HBS 2a HBS 2b
Gly572 - Gln125, Gln129 Gln125, Val126, Glu129
Gln573 Gln111 Gln111 Gln111
Val574 Gln111, Leu112, Ser122, Gln125, Val126, Glu129, Phe146 Tyr101, Leu108, Gln111, Leu112, Val126, Phe146 Tyr101, Gln111, Leu112, Val126, Phe146
Gly575 Val126, Glu129,Leu130 Gln125, Val126, Glu129, Leu130 Val126, Glu129, Leu130
Arg576 Glu129 Glu129 Glu129
Gln577 Tyr101, Phe105 Tyr101, Phe105, Gln111 Tyr101, Phe105, Gln111
Leu578 Phe97, Tyr101, Leu108, Leu126, Leu130, Ala142, Phe146 Phe97, Tyr101, Leu108, Leu130, Ala142, Phe146 Phe97, Tyr101, Leu108, Leu126, Leu130, Ala142, Phe146
Ala579 Glu129, Leu130, Arg139 Glu129, Leu130, Arg139 Glu129, Leu130, Arg139
Ile580 - Phe105 Phe105
Ile581 Phe97, Arg100, Tyr101 Phe97, Arg100, Tyr101, Ala104, Phe105 Phe97, Arg100, Tyr101, Ala104, Phe105
Gly582 Phe97, Gly138, Arg139 Ala142 Phe97, Leu130, Gly138, Arg139, Ala142 Phe97, Gly138, Arg139, Ala142
Asp583 Gly138, Arg139 Asn136, Arg139 Arg139, Arg204
Asp584 (KAC for HBS2b) Arg100, Arg204 Arg100 Arg100, Ala104, Arg204, His215
Ile585 Ala93, Glu96, Phe97, Arg100, Gly138, Val141, Ala200 Ala93, Glu96, Phe97, Arg100, Gly138, Val141, Ala142, Tyr195 Glu96, Phe97, Arg100, Gly138, Val141, Ala142, Tyr195, Ala200
Asn586 Trp137, Gly138 Gly138, Leu194, Tyr195, Asn136, Trp137, Arg139 Gly138, Leu194, Tyr195, Ala200, Arg204
Arg587 Ser203 Leu194, His214, His215 Leu194, Tyr195, Gln207
NH2 terminal Ala164, Ser167 Leu158, His178, His179 Tyr159, Ala164