3N5I

crystal structure of the precursor (s250a mutant) of the n-terminal beta-aminopeptidase bapa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 162
  • Norm. En. per Res.: -3.4545
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-92.6031	27.0853	-323.898	-389.4157	133	24	11	14306	5	42	39
A-C	-101.7543	-39.1031	-418.773	-559.6304	162	22	8	17331	6	41	37
A-D	-26.1701	-68.8236	-230.406	-325.3997	96	10	2	9624	6	41	33
B-C	-22.8103	-72.1189	-233.63	-328.5592	98	10	2	9705	6	42	34
B-D	-97.3289	-43.7941	-413.974	-555.097	166	24	8	16831	6	43	40
C-D	-107.5953	11.8315	-355.363	-451.1268	139	27	10	15486	10	47	44

Interface residues

• A-B: ALA217A, ALA217B, ALA273A, ALA273B, ALA274A, ALA274B, ALA284A, ALA284B, ALA286A, ALA286B, ALA323A, ALA323B, ALA368B, ALA71B, ARG215A, ARG215B, ARG268A, ARG268B, ARG271A, ARG271B, ARG272A, ARG272B, ARG279A, ARG279B, ARG326A, ARG326B, ARG369A, ARG369B, ASN212A, ASN212B, ASN249A, ASN249B, ASN280A, ASN280B, ASN314A, ASN314B, ASN322A, ASN322B, ASN74A, ASN74B, ASP210A, ASP210B, ASP213A, ASP213B, ASP315A, ASP315B, ASP317A, ASP317B, GLN220A, GLN220B, GLN330A, GLN330B, GLU12A, GLU12B, GLU224B, GLU290A, GLU290B, GLU319A, GLU319B, GLU333A, GLU333B, GLY218A, GLY218B, GLY276A, GLY276B, GLY278A, GLY278B, GLY281A, GLY281B, GLY285A, GLY285B, GLY289A, GLY289B, GLY327A, GLY327B, GLY75A, GLY75B, HIS208B, ILE216B, ILE221B, ILE365B, ILE73A, ILE73B, LEU214A, LEU214B, LEU251A, LEU251B, LEU275A, LEU275B, LEU287A, LEU287B, LEU324A, LEU324B, LYS223A, LYS223B, LYS248A, LYS248B, MET321A, MET321B, MET366B, PHE11A, PHE11B, PHE325A, PHE325B, PHE370A, PHE370B, PRO10A, PRO10B, PRO371A, SER282A, SER282B, SER288A, SER288B, SER318A, SER318B, THR283A, THR283B, THR316A, THR316B, THR320A, THR320B, THR76A, THR76B, VAL219A, VAL219B, VAL277A, VAL277B, VAL328A, VAL328B, VAL329A, VAL329B, VAL72A, VAL72B
• A-C: ALA122A, ALA122C, ALA132A, ALA132C, ALA284A, ALA286A, ALA286C, ARG126A, ARG126C, ARG138C, ARG149A, ARG149C, ARG70A, ARG70C, ASN102A, ASN102C, ASN137A, ASN137C, ASN249C, ASN350A, ASN74A, ASN74C, ASP112A, ASP112C, ASP136A, ASP136C, ASP86A, ASP86C, GLN108A, GLN108C, GLN90A, GLN90C, GLU120A, GLU120C, GLU121C, GLU133A, GLU133C, GLU290A, GLU290C, GLU78A, GLU78C, GLU87A, GLU87C, GLY101A, GLY101C, GLY104A, GLY104C, GLY116A, GLY116C, GLY144A, GLY144C, GLY146A, GLY146C, GLY285A, GLY285C, GLY289A, GLY289C, GLY304A, GLY304C, GLY44A, GLY44C, GLY75A, GLY75C, GLY77A, GLY77C, GLY81A, GLY81C, GLY89A, GLY89C, GLY99A, GLY99C, HIS107A, HIS107C, HIS145A, HIS145C, HIS83A, HIS83C, ILE43A, ILE43C, ILE73A, ILE73C, LEU105A, LEU105C, LEU123A, LEU123C, LEU127A, LEU127C, LEU128A, LEU128C, LEU135A, LEU135C, LEU147A, LEU147C, LEU287A, LEU287C, LEU303C, LEU84A, LEU84C, LEU92A, LEU92C, LYS248A, LYS248C, MET110A, MET110C, MET111A, MET111C, MET41A, MET82A, MET82C, PHE124A, PHE124C, PHE143A, PHE143C, PHE153A, PHE153C, PHE291A, PHE291C, PRO129A, PRO129C, SER109A, SER109C, SER114A, SER114C, SER125A, SER125C, SER288A, SER288C, THR100A, THR100C, THR134A, THR134C, THR148A, THR148C, THR76A, THR76C, THR80A, THR80C, TRP113A, TRP113C, TRP79A, TRP79C, VAL103A, VAL103C, VAL106A, VAL106C, VAL115A, VAL115C, VAL118A, VAL118C, VAL130A, VAL130C, VAL131A, VAL131C, VAL142A, VAL142C, VAL42A, VAL72A, VAL72C, VAL85A, VAL85C, VAL88A, VAL88C
• A-D: ALA311A, ALA311D, ALA67A, ALA67D, ALA68A, ALA68D, ARG268A, ARG268D, ARG271A, ARG271D, ARG272A, ARG272D, ARG308A, ARG308D, ASN314A, ASN314D, ASP195A, ASP315A, ASP315D, ASP317A, ASP317D, ASP86A, ASP86D, GLN265A, GLN265D, GLN90A, GLN90D, GLU267A, GLU267D, GLU87A, GLU87D, GLY304A, GLY304D, GLY305A, GLY305D, GLY65A, GLY65D, GLY89A, GLY89D, HIS264A, HIS264D, HIS299A, HIS299D, HIS83A, HIS83D, ILE301A, ILE301D, ILE312A, ILE312D, ILE313A, ILE313D, LEU261A, LEU261D, LEU303A, LEU303D, LEU309A, LEU309D, LEU84A, LEU84D, LEU92A, LEU92D, LYS306A, LYS306D, MET262A, MET262D, MET269A, MET269D, MET321A, MET321D, PHE124A, PHE124D, PHE325A, PHE325D, PRO263A, PRO263D, PRO302A, PRO302D, PRO307A, PRO307D, PRO310A, PRO310D, SER125A, SER125D, SER318A, SER318D, THR196A, THR316A, THR316D, THR320A, TYR198A, VAL300A, VAL300D, VAL85A, VAL85D, VAL88A, VAL88D
• B-C: ALA311B, ALA311C, ALA67B, ALA67C, ALA68B, ALA68C, ARG268B, ARG268C, ARG271B, ARG271C, ARG272B, ARG272C, ARG308B, ARG308C, ASN314B, ASN314C, ASP195C, ASP315B, ASP315C, ASP317B, ASP317C, ASP86B, ASP86C, GLN265B, GLN265C, GLN90B, GLN90C, GLU267B, GLU267C, GLU87B, GLU87C, GLY304B, GLY304C, GLY305B, GLY305C, GLY65B, GLY65C, GLY89B, GLY89C, HIS264B, HIS264C, HIS299B, HIS299C, HIS83B, HIS83C, ILE301B, ILE301C, ILE312B, ILE312C, ILE313B, ILE313C, LEU261B, LEU261C, LEU303B, LEU303C, LEU309B, LEU309C, LEU84B, LEU84C, LEU92B, LEU92C, LYS306B, LYS306C, MET262B, MET262C, MET269B, MET269C, MET321B, MET321C, PHE124B, PHE124C, PHE325B, PHE325C, PHE91B, PRO260C, PRO263B, PRO263C, PRO302B, PRO302C, PRO307B, PRO307C, PRO310B, PRO310C, SER125B, SER125C, SER318B, SER318C, THR196B, THR196C, THR316B, THR316C, THR320C, VAL300B, VAL300C, VAL85B, VAL85C, VAL88B, VAL88C
• B-D: ALA122B, ALA122D, ALA132B, ALA132D, ALA284B, ALA284D, ALA286B, ALA286D, ARG126B, ARG126D, ARG149B, ARG149D, ARG70B, ARG70D, ASN102B, ASN102D, ASN137B, ASN137D, ASN350D, ASN74B, ASN74D, ASP112B, ASP112D, ASP136B, ASP136D, ASP141B, ASP141D, ASP247D, ASP86B, ASP86D, GLN108B, GLN108D, GLN90B, GLN90D, GLU120B, GLU120D, GLU121B, GLU133B, GLU133D, GLU290B, GLU290D, GLU78B, GLU78D, GLU87B, GLU87D, GLY101B, GLY101D, GLY104B, GLY104D, GLY116B, GLY116D, GLY144B, GLY144D, GLY146B, GLY146D, GLY285B, GLY285D, GLY289B, GLY289D, GLY304B, GLY304D, GLY44B, GLY44D, GLY75B, GLY75D, GLY77B, GLY77D, GLY81B, GLY81D, GLY89B, GLY89D, GLY99B, GLY99D, HIS107B, HIS107D, HIS145B, HIS145D, HIS83B, HIS83D, ILE43B, ILE43D, ILE73B, ILE73D, LEU105B, LEU105D, LEU123B, LEU123D, LEU127B, LEU127D, LEU128B, LEU128D, LEU135B, LEU135D, LEU147B, LEU147D, LEU287B, LEU287D, LEU303B, LEU303D, LEU84B, LEU84D, LEU92B, LEU92D, LYS248B, LYS248D, MET110B, MET110D, MET111B, MET111D, MET41B, MET41D, MET82B, MET82D, PHE124B, PHE124D, PHE143B, PHE143D, PHE153B, PHE153D, PHE291B, PHE291D, PRO129B, PRO129D, SER109B, SER109D, SER114B, SER114D, SER125B, SER125D, SER288B, SER288D, THR100B, THR100D, THR134B, THR134D, THR148B, THR148D, THR76B, THR76D, THR80B, THR80D, TRP113B, TRP113D, TRP79B, TRP79D, VAL103B, VAL103D, VAL106B, VAL106D, VAL115B, VAL115D, VAL118B, VAL118D, VAL130B, VAL130D, VAL131B, VAL131D, VAL142B, VAL142D, VAL42D, VAL72B, VAL72D, VAL85B, VAL85D, VAL88B, VAL88D
• C-D: ALA217C, ALA217D, ALA273C, ALA273D, ALA274C, ALA274D, ALA284C, ALA284D, ALA286C, ALA286D, ALA323C, ALA323D, ALA368C, ALA71C, ARG215C, ARG215D, ARG268C, ARG268D, ARG271C, ARG271D, ARG272C, ARG272D, ARG279C, ARG279D, ARG326C, ARG326D, ARG369C, ARG369D, ASN212C, ASN212D, ASN249C, ASN249D, ASN280C, ASN280D, ASN314C, ASN314D, ASN322C, ASN322D, ASN74C, ASN74D, ASP210C, ASP210D, ASP213C, ASP213D, ASP247D, ASP315C, ASP315D, ASP317C, ASP317D, GLN220C, GLN220D, GLN246D, GLN330C, GLN330D, GLU12C, GLU12D, GLU224C, GLU224D, GLU290C, GLU290D, GLU319C, GLU319D, GLU333C, GLU333D, GLY194C, GLY209D, GLY218C, GLY218D, GLY276C, GLY276D, GLY278C, GLY278D, GLY281C, GLY281D, GLY285C, GLY285D, GLY289C, GLY289D, GLY327C, GLY327D, GLY75C, GLY75D, HIS208D, ILE216C, ILE216D, ILE365C, ILE73C, ILE73D, LEU214C, LEU214D, LEU251C, LEU251D, LEU275C, LEU275D, LEU287C, LEU287D, LEU324C, LEU324D, LYS223C, LYS223D, LYS244D, LYS248C, LYS248D, MET321C, MET321D, PHE11C, PHE11D, PHE325C, PHE325D, PHE370C, PHE370D, PRO10C, PRO10D, PRO245D, PRO371D, SER282C, SER282D, SER288C, SER288D, SER318C, SER318D, THR283C, THR283D, THR316C, THR316D, THR320C, THR320D, THR76C, THR76D, VAL219C, VAL219D, VAL277C, VAL277D, VAL328C, VAL328D, VAL329C, VAL329D, VAL72C, VAL72D