1KXQ

camelid vhh domain in complex with porcine pancreatic alpha- amylase

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 110
  • Norm. En. per Res.: -3.2795
• Hub Node: B(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	-4.0962	-11.6612	-97.2781	-113.0355	84	0	0	5078	2	35	32
A-H	-30.3616	18.431	-315.4	-327.3306	111	10	8	11505	2	16	20
B-D	0.0	5.4533	-62.9967	-57.5434	71	1	0	3180	0	25	13
B-E	0.0	13.7476	-16.9311	-3.1835	21	0	0	954	0	16	11
B-G	-59.8183	10.8742	-311.804	-360.7481	110	10	8	11515	2	15	19
C-D	-10.5617	-5.9997	-116.287	-132.8485	92	7	0	5725	2	38	30
C-F	-50.31	18.8941	-281.286	-312.7019	106	12	8	10969	0	18	20
D-E	-29.1772	13.9526	-299.372	-314.5966	106	5	8	11163	0	16	20
D-G	0.0	5.2407	-23.1664	-17.9257	33	0	0	1255	0	16	17

Interface residues

• A-B: ALA25B, ALA374A, ALA374B, ARG20A, ARG30A, ARG30B, ARG387A, ARG387B, ARG80A, ARG80B, ARG85A, ARG85B, ASN373A, ASN373B, ASN380A, ASN380B, ASN460A, ASN460B, ASN77A, ASN77B, ASN88A, ASN88B, ASP23A, ASP375A, ASP375B, ASP456A, ASP456B, ASP81A, ASP81B, CYS28A, CYS28B, CYS462A, CYS462B, GLU27A, GLU27B, GLU29A, GLU29B, GLU369A, GLU369B, GLU76A, GLU76B, GLU78A, GLU78B, GLY33A, GLY33B, GLY459A, GLY459B, ILE189A, ILE372A, ILE372B, LEU26A, LEU26B, LYS35A, LYS35B, LYS457A, LYS457B, MET82A, MET82B, PHE79A, PHE79B, PRO34A, PRO34B, SER461A, SER461B, THR371A, THR371B, THR376A, THR376B, THR463A, THR463B, THR84A, THR84B, TRP396A, TRP396B, TYR31A, TYR31B, VAL22A, VAL22B, VAL370A, VAL370B, VAL458A, VAL458B, VAL89A, VAL89B
• A-H: ALA102H, ALA107A, ALA108A, ALA144A, ALA241A, ARG100H, ARG124A, ARG303A, ARG346A, ARG50H, ARG51H, ASN152A, ASN347A, ASN350A, ASN355A, ASN53A, ASN71H, ASN72H, ASN74H, ASN97H, ASP236A, ASP29H, ASP300A, ASP353A, ASP356A, ASP59H, ASP70H, CYS103A, CYS141A, CYS160A, GLN156A, GLN161A, GLN1H, GLN3H, GLN63A, GLN69H, GLU149A, GLU240A, GLU352A, GLU60A, GLY104A, GLY106A, GLY106H, GLY146A, GLY147A, GLY164A, GLY304A, GLY306A, GLY351A, GLY53H, GLY96H, HIS201A, HIS299A, HIS305A, ILE148A, ILE235A, ILE242A, ILE358A, ILE48H, ILE49A, LEU101H, LEU162A, LEU165A, LEU166A, LEU237A, LEU4H, LYS200A, LYS62H, LYS73H, MET102A, PHE108H, PHE348A, PRO54A, PRO57A, SER103H, SER105A, SER145A, SER150A, SER25H, SER55A, SER57H, SER98H, THR143A, THR26H, THR28H, THR30H, THR52A, THR52H, THR55H, THR75H, THR95H, TRP110H, TRP357A, TRP58A, TRP59A, TYR107H, TYR109H, TYR151A, TYR27H, TYR49H, TYR54H, TYR56H, TYR62A, VAL157A, VAL163A, VAL2H, VAL349A, VAL354A, VAL51A, VAL76H, VAL99H
• B-D: ALA144B, ALA144D, ALA241B, ALA241D, ASN152B, ASN152D, ASN279B, ASN279D, ASP153B, ASP153D, ASP236B, ASP236D, CYS160D, GLN156B, GLN156D, GLU149B, GLU149D, GLU240B, GLU240D, GLU272B, GLU272D, GLY238B, GLY238D, GLY239B, GLY239D, GLY271B, GLY271D, GLY283B, GLY283D, GLY285B, GLY285D, GLY413B, GLY413D, ILE148B, ILE148D, LEU237B, LEU237D, LYS142B, LYS142D, LYS243B, LYS243D, LYS257B, LYS257D, LYS261B, LYS261D, LYS273B, LYS273D, PRO154B, PRO154D, SER145B, SER145D, SER150B, SER150D, SER270B, SER270D, THR143B, THR143D, THR264B, THR264D, TRP269B, TRP269D, TRP284B, TRP284D, TYR151B, TYR151D, TYR155B, TYR155D, TYR276B, TYR276D, VAL265B, VAL265D
• B-E: ALA102E, ARG100E, ASN415B, ASP432B, ASP433B, ASP59E, GLU105E, GLU272B, GLY271B, LEU101E, LYS268B, LYS273B, LYS62E, SER103E, SER270B, SER414B, SER60E, TRP104E, TRP269B, TRP434B, TYR56E
• B-G: ALA102G, ALA107B, ALA108B, ALA144B, ALA241B, ARG100G, ARG303B, ARG346B, ARG50G, ARG51G, ASN152B, ASN347B, ASN350B, ASN355B, ASN53B, ASN71G, ASN72G, ASN74G, ASN97G, ASP153B, ASP29G, ASP300B, ASP353B, ASP356B, ASP59G, ASP70G, CYS103B, CYS160B, GLN156B, GLN161B, GLN1G, GLN3G, GLN63B, GLN69G, GLU149B, GLU240B, GLU352B, GLU60B, GLY104B, GLY106B, GLY106G, GLY146B, GLY147B, GLY164B, GLY304B, GLY351B, GLY53G, GLY63G, GLY96G, HIS201B, HIS299B, HIS305B, ILE148B, ILE235B, ILE242B, ILE358B, ILE48G, ILE49B, LEU101G, LEU162B, LEU165B, LEU166B, LEU237B, LEU4G, LYS200B, LYS62G, LYS73G, MET102B, PHE108G, PHE348B, PRO121B, PRO54B, PRO57B, SER103G, SER105B, SER145B, SER150B, SER25G, SER55B, SER57G, SER98G, THR143B, THR26G, THR28G, THR30G, THR52B, THR52G, THR55G, THR75G, THR95G, TRP110G, TRP357B, TRP58B, TRP59B, TYR107G, TYR109G, TYR151B, TYR27G, TYR49G, TYR54G, TYR56G, TYR62B, VAL157B, VAL163B, VAL2G, VAL349B, VAL354B, VAL51B, VAL76G, VAL99G
• C-D: ALA25C, ALA25D, ALA374C, ALA374D, ARG10D, ARG20C, ARG20D, ARG30C, ARG30D, ARG387C, ARG387D, ARG80C, ARG80D, ARG85C, ARG85D, ASN373C, ASN373D, ASN380C, ASN380D, ASN460C, ASN460D, ASN75C, ASN75D, ASN77C, ASN77D, ASN88C, ASN88D, ASP23C, ASP23D, ASP375C, ASP375D, ASP456C, ASP456D, ASP81C, ASP81D, CYS28C, CYS28D, CYS462C, CYS462D, GLU27C, GLU27D, GLU29C, GLU29D, GLU369C, GLU369D, GLU76C, GLU76D, GLU78C, GLU78D, GLY33C, GLY33D, GLY459C, GLY459D, ILE189C, ILE189D, ILE372C, ILE372D, LEU26C, LEU26D, LEU496C, LYS35C, LYS35D, LYS457C, LYS457D, MET82C, MET82D, PHE79C, PHE79D, PRO34C, PRO34D, SER461C, SER461D, THR371C, THR371D, THR376C, THR376D, THR463C, THR463D, THR84C, THR84D, TRP396C, TRP396D, TYR31C, TYR31D, VAL22C, VAL22D, VAL370C, VAL370D, VAL458C, VAL458D, VAL89C, VAL89D
• C-F: ALA102F, ALA107C, ALA108C, ALA144C, ALA241C, ARG100F, ARG124C, ARG303C, ARG50F, ARG51F, ASN152C, ASN347C, ASN350C, ASN355C, ASN53C, ASN71F, ASN72F, ASN74F, ASN97F, ASP29F, ASP300C, ASP353C, ASP356C, ASP59F, ASP70F, CYS103C, CYS160C, GLN156C, GLN161C, GLN1F, GLN3F, GLN63C, GLN69F, GLU149C, GLU240C, GLU352C, GLU60C, GLY104C, GLY106C, GLY106F, GLY146C, GLY147C, GLY164C, GLY351C, GLY53F, GLY96F, HIS201C, HIS299C, HIS305C, ILE148C, ILE235C, ILE242C, ILE358C, ILE48F, ILE49C, LEU101F, LEU162C, LEU165C, LEU166C, LEU237C, LYS200C, LYS62F, LYS73F, MET102C, PHE108F, PHE348C, PRO121C, PRO54C, PRO57C, SER103F, SER105C, SER145C, SER150C, SER25F, SER55C, SER57F, SER98F, THR143C, THR26F, THR28F, THR30F, THR52C, THR52F, THR55F, THR75F, THR95F, TRP110F, TRP357C, TRP58C, TRP59C, TYR107F, TYR109F, TYR151C, TYR27F, TYR49F, TYR54F, TYR56F, TYR62C, VAL157C, VAL163C, VAL2F, VAL349C, VAL354C, VAL51C, VAL76F, VAL99F
• D-E: ALA102E, ALA107D, ALA108D, ALA144D, ALA241D, ARG100E, ARG303D, ARG346D, ARG50E, ARG51E, ASN152D, ASN347D, ASN350D, ASN355D, ASN53D, ASN71E, ASN72E, ASN74E, ASN97E, ASP29E, ASP300D, ASP353D, ASP356D, ASP59E, ASP70E, CYS103D, CYS141D, CYS160D, GLN161D, GLN1E, GLN3E, GLN63D, GLN69E, GLU105E, GLU149D, GLU240D, GLU352D, GLU60D, GLY104D, GLY106D, GLY106E, GLY146D, GLY147D, GLY164D, GLY304D, GLY351D, GLY53E, GLY96E, HIS201D, HIS299D, HIS305D, ILE148D, ILE235D, ILE358D, ILE48E, ILE49D, LEU101E, LEU162D, LEU165D, LEU166D, LEU4E, LYS200D, LYS62E, LYS73E, MET102D, PHE108E, PHE348D, PRO54D, PRO57D, SER103E, SER105D, SER145D, SER150D, SER25E, SER55D, SER57E, SER98E, THR143D, THR26E, THR28E, THR30E, THR52D, THR52E, THR55E, THR75E, THR95E, TRP110E, TRP357D, TRP58D, TRP59D, TYR107E, TYR109E, TYR151D, TYR27E, TYR49E, TYR54E, TYR56E, TYR62D, VAL157D, VAL163D, VAL2E, VAL349D, VAL354D, VAL51D, VAL76E, VAL99E
• D-G: ALA102G, ALA58G, ARG100G, ARG267D, ASN415D, ASN431D, ASN481D, ASP317D, ASP432D, ASP433D, ASP59G, GLU105G, GLU272D, GLU41G, GLY271D, GLY413D, LEU101G, LYS268D, LYS273D, LYS62G, LYS84G, SER103G, SER270D, SER310D, SER414D, SER57G, SER60G, THR264D, TRP104G, TRP269D, TRP434D, TYR276D, TYR56G