3HIF

the crystal structure of apo wild type cap at 3.6 a resolution.

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 68
  • Norm. En. per Res.: -2.7335
• Hub Node: A(4)

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	-7.4782	-6.9059	-357.682	-372.0661	182	12	19	18619	0	52	34
A-D	-5.6608	-1.1855	-8.9444	-15.7907	9	2	0	446	1	6	9
A-E	-3.3963	-61.6139	-120.866	-185.8763	68	6	0	5321	4	50	49
A-F	0.0	-4.6061	-1.6786	-6.2847	10	0	0	202	0	7	9
B-D	-7.7337	-43.6855	-117.643	-169.0622	63	0	0	5350	2	47	49
C-D	0.0	-19.6201	-334.126	-353.7462	168	15	20	17045	0	45	27
E-F	0.0	18.1838	-49.5829	-31.3991	167	53	17	17523	1	53	35

Interface residues

• A-B: ALA118A, ALA118B, ALA121A, ALA121B, ALA135A, ALA135B, ALA144A, ALA144B, ALA151A, ALA151B, ALA36A, ALA84A, ALA84B, ARG103A, ARG103B, ARG115A, ARG115B, ARG122A, ARG122B, ARG123A, ARG123B, ARG142A, ARG142B, ARG180B, ARG185A, ARG185B, ARG82A, ARG82B, ASN109A, ASN109B, ASN133A, ASN133B, ASN149A, ASN149B, ASN194A, ASN194B, ASP111A, ASP111B, ASP138A, ASP138B, ASP53A, ASP53B, CYS178A, GLN107A, GLN107B, GLN119A, GLN119B, GLN125A, GLN125B, GLN145A, GLN145B, GLN193A, GLN193B, GLN80A, GLN80B, GLU129A, GLU129B, GLU181A, GLU181B, GLU191B, GLU54A, GLU54B, GLU55A, GLU55B, GLU58A, GLU72A, GLU72B, GLU77A, GLU77B, GLU81A, GLU81B, GLY141A, GLY141B, GLY184A, GLY184B, GLY207A, GLY207B, GLY71A, GLY71B, GLY74A, GLY74B, ILE106A, ILE106B, ILE112A, ILE112B, ILE143A, ILE143B, ILE186A, ILE186B, ILE196A, ILE196B, ILE51A, ILE51B, ILE60A, ILE60B, LEU105A, LEU105B, LEU113A, LEU113B, LEU116A, LEU116B, LEU124A, LEU124B, LEU134A, LEU134B, LEU137A, LEU137B, LEU147A, LEU147B, LEU148A, LEU148B, LEU190A, LEU190B, LEU195A, LEU195B, LEU50A, LEU61A, LEU61B, LEU64B, LEU73A, LEU73B, LEU75A, LEU75B, LYS130A, LYS130B, LYS188A, LYS188B, LYS52B, LYS57A, LYS57B, MET114A, MET114B, MET120A, MET120B, MET189A, MET189B, MET59A, MET59B, PHE102A, PHE102B, PHE136A, PHE136B, PHE76A, PHE76B, PRO110A, PRO110B, SER117A, SER117B, SER128A, SER128B, SER179A, SER179B, SER197B, SER62A, SER62B, SER83A, SER83B, THR127A, THR127B, THR140A, THR140B, THR146A, THR146B, THR182A, THR182B, TYR206A, TYR206B, TYR63A, VAL108A, VAL108B, VAL126A, VAL126B, VAL139A, VAL139B, VAL183A, VAL183B, VAL204A, VAL204B, VAL205A, VAL205B, VAL49A, VAL49B
• A-D: ARG180A, CYS178A, GLU181A, GLU93D, HIS21D, ILE20D, LYS22D, SER179A, THR182A
• A-E: ALA36A, ALA36E, ALA84E, ALA88E, ARG103A, ARG82E, ARG87E, ASP53E, CYS18A, CYS92A, GLN104A, GLN32E, GLN80E, GLU34A, GLU34E, GLU37A, GLU37E, GLU54E, GLU55E, GLU58E, GLU81A, GLU81E, GLU93A, GLU96A, GLY33A, GLY33E, GLY56E, HIS17A, HIS19A, HIS21A, HIS31A, HIS31E, ILE20A, ILE30A, ILE30E, ILE51E, ILE97A, LEU105A, LEU29A, LEU29E, LYS100A, LYS101A, LYS22A, LYS26E, LYS35A, LYS35E, LYS52E, LYS57E, PHE102A, PRO24A, PRO24E, SER25E, SER27A, SER27E, SER83E, SER98A, THR28A, THR28E, THR38A, TRP85E, TYR23A, TYR23E, TYR40A, TYR40E, TYR99A, VAL108A, VAL86E, VAL94A
• A-F: ARG180F, ARG185F, CYS178F, GLU181F, HIS21A, ILE20A, LEU15A, LYS22A, SER179F, THR182F
• B-D: ALA36B, ALA36D, ALA84B, ALA88B, ARG103D, ARG82B, ARG82D, ARG87B, ASP53B, CYS92D, GLN104D, GLN32B, GLU34B, GLU34D, GLU37D, GLU54B, GLU55B, GLU58B, GLU78D, GLU81B, GLU96D, GLY33B, GLY56B, GLY79D, HIS17D, HIS19D, HIS21D, HIS31B, HIS31D, ILE20D, ILE30B, ILE30D, ILE51B, ILE97D, LEU105D, LEU29B, LEU29D, LYS100D, LYS101D, LYS22D, LYS26B, LYS35B, LYS35D, LYS52B, LYS57B, PHE102D, PRO24B, PRO24D, SER25B, SER27B, SER27D, SER83B, SER98D, THR28B, THR28D, THR38D, TRP85B, TYR23B, TYR23D, TYR40B, TYR40D, TYR99D, VAL94D
• C-D: ALA118C, ALA118D, ALA121C, ALA121D, ALA135C, ALA135D, ALA144C, ALA144D, ALA151C, ALA151D, ALA84C, ALA84D, ARG103C, ARG103D, ARG115C, ARG115D, ARG122C, ARG122D, ARG123C, ARG123D, ARG142C, ARG142D, ARG185C, ARG185D, ARG82C, ARG82D, ASN109C, ASN109D, ASN133C, ASN133D, ASN149C, ASN149D, ASN194C, ASP111C, ASP111D, ASP138C, ASP138D, ASP53C, ASP53D, CYS178D, GLN104C, GLN104D, GLN107C, GLN107D, GLN119C, GLN119D, GLN125C, GLN125D, GLN145C, GLN145D, GLN193C, GLN193D, GLN80C, GLN80D, GLU129C, GLU129D, GLU181D, GLU191C, GLU54C, GLU54D, GLU55C, GLU58C, GLU72C, GLU72D, GLU77C, GLU77D, GLU81D, GLY141C, GLY141D, GLY184D, GLY207C, GLY207D, GLY56C, GLY74C, GLY74D, ILE106C, ILE106D, ILE112C, ILE112D, ILE143C, ILE143D, ILE186C, ILE186D, ILE196C, ILE196D, ILE203C, ILE51C, ILE51D, ILE60C, LEU105C, LEU105D, LEU113C, LEU113D, LEU116C, LEU116D, LEU124C, LEU124D, LEU134C, LEU134D, LEU137C, LEU137D, LEU147C, LEU147D, LEU148C, LEU148D, LEU190C, LEU190D, LEU195C, LEU195D, LEU61C, LEU61D, LEU64C, LEU73C, LEU73D, LEU75C, LEU75D, LYS130C, LYS130D, LYS152C, LYS52C, LYS57C, MET114C, MET114D, MET120C, MET120D, MET189C, MET189D, MET59C, MET59D, PHE102C, PHE102D, PHE136C, PHE136D, PHE76C, PHE76D, PRO110C, PRO110D, SER117C, SER117D, SER128C, SER128D, SER179D, SER62C, SER62D, SER83C, SER83D, THR127C, THR127D, THR140C, THR140D, THR146C, THR146D, THR182D, TYR206C, TYR206D, VAL108C, VAL108D, VAL126C, VAL126D, VAL139C, VAL139D, VAL183D, VAL204C, VAL204D, VAL205C, VAL205D, VAL49C, VAL49D
• E-F: ALA118E, ALA118F, ALA121E, ALA121F, ALA135E, ALA135F, ALA144E, ALA144F, ARG103E, ARG103F, ARG115E, ARG115F, ARG122E, ARG122F, ARG123E, ARG123F, ARG142E, ARG142F, ARG180E, ARG185E, ARG185F, ARG82E, ASN109E, ASN109F, ASN133E, ASN133F, ASN149E, ASN149F, ASN194F, ASP111E, ASP111F, ASP138E, ASP138F, ASP192F, ASP53E, ASP53F, CYS178E, CYS178F, GLN107E, GLN107F, GLN119E, GLN119F, GLN125E, GLN125F, GLN145E, GLN145F, GLN193E, GLN193F, GLN80E, GLN80F, GLU129E, GLU129F, GLU181E, GLU181F, GLU191F, GLU54E, GLU54F, GLU55E, GLU55F, GLU58F, GLU72E, GLU72F, GLU77E, GLU77F, GLU81E, GLY141E, GLY141F, GLY56E, GLY56F, GLY74E, GLY74F, ILE106E, ILE106F, ILE112E, ILE112F, ILE143E, ILE143F, ILE186E, ILE186F, ILE196E, ILE196F, ILE51E, ILE51F, ILE60F, ILE70F, LEU105E, LEU105F, LEU113E, LEU113F, LEU116E, LEU116F, LEU124E, LEU124F, LEU134E, LEU134F, LEU137E, LEU137F, LEU147E, LEU147F, LEU148E, LEU148F, LEU187F, LEU190E, LEU190F, LEU195E, LEU195F, LEU61E, LEU61F, LEU73E, LEU73F, LEU75E, LEU75F, LYS130E, LYS130F, LYS52E, LYS57E, LYS57F, MET114E, MET114F, MET120E, MET120F, MET189E, MET189F, MET59E, MET59F, PHE102E, PHE102F, PHE136E, PHE136F, PHE76E, PHE76F, PRO110E, PRO110F, SER117E, SER117F, SER128E, SER128F, SER179E, SER179F, SER197F, SER62E, SER62F, SER83E, SER83F, THR127E, THR127F, THR140E, THR140F, THR146E, THR146F, THR182E, THR182F, TYR206E, TYR206F, TYR63F, VAL108E, VAL108F, VAL126E, VAL126F, VAL139E, VAL139F, VAL183E, VAL204F, VAL205E, VAL205F, VAL49E, VAL49F