2E6V

crystal structure of vip36 exoplasmic/lumenal domain, ca2+/man3glcnac-bound form

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 68
  • Norm. En. per Res.: -2.441
• 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	-6.2602	-11.9904	-147.735	-165.9856	68	5	2	5844	0	49	39
A-D	-13.6868	-5.1015	-42.8825	-61.6708	41	1	1	2354	0	7	8
A-E	0.0	0.0	-0.0585	-0.0585	3	0	0	18	0	4	4
B-C	0.0	-16.8201	-44.7409	-61.561	30	3	0	1572	1	14	15
B-E	-40.1089	2.5953	-129.335	-166.8486	84	10	0	6057	4	46	43
C-E	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	1	0
D-E	-7.7332	-9.0629	-87.8349	-104.631	53	3	0	4050	0	18	13

Interface residues

• A-B: ASN286A, ASN286B, ASP111A, ASP111B, ASP283A, ASP283B, ASP288A, ASP288B, CYS107A, CYS107B, GLN105A, GLN105B, GLN275A, GLN275B, GLU279A, GLU279B, GLU284A, GLU284B, GLU285A, GLU285B, GLU52A, GLU52B, GLU57A, GLU57B, GLY250A, GLY250B, HIS280A, HIS280B, HIS53A, HIS53B, HIS58A, HIS58B, ILE287A, ILE287B, LEU109A, LEU109B, LEU273A, LEU273B, LEU276A, LEU276B, LYS110A, LYS110B, LYS291A, LYS291B, LYS55A, LYS55B, MET277A, MET277B, PHE108A, PHE108B, PHE253A, PHE253B, PRO106A, PRO106B, PRO282A, PRO282B, THR249A, THR249B, THR281A, THR281B, THR290A, THR290B, TRP112A, TRP112B, TRP289A, TRP289B, VAL278A, VAL278B
• A-D: ARG141A, ARG89D, ARG95A, ASP76A, ASP93D, GLN65D, GLN78A, GLN86D, GLU94A, GLU94D, GLU98A, GLY79A, GLY79D, GLY99A, HIS104A, ILE82A, ILE82D, LEU142A, LEU83A, LEU83D, LYS97A, LYS97D, PHE77A, PHE77D, PRO144A, PRO63D, PRO73A, PRO92A, PRO92D, SER100A, SER80A, SER80D, SER85D, SER96A, THR81A, THR81D, THR84D, TRP102A, TYR64D, TYR87D, VAL143A
• A-E: ASP232E, LYS233E, LYS291A
• B-C: ARG95B, ARG95C, ASP261B, ASP261C, ASP264C, ASP93B, ASP93C, GLU94B, GLU94C, GLY122C, GLY130C, GLY260B, GLY260C, HIS129C, LEU128B, LEU128C, LEU262B, LEU262C, LYS126C, LYS97B, LYS97C, PRO92C, SER263B, SER263C, SER96B, SER96C, THR123B, THR123C, THR259B, THR259C
• B-E: ALA216E, ARG139B, ARG141B, ARG218E, ARG221E, ARG223E, ASN153B, ASN166B, ASN234E, ASN238E, ASP111E, ASP140B, ASP152B, ASP167B, ASP189B, ASP229E, ASP232E, ASP241E, ASP76B, CYS239E, GLN275E, GLN78B, GLU113E, GLU168B, GLU235E, GLU279E, GLU293B, GLU52E, GLU98B, GLY145B, GLY149B, GLY184B, GLY250B, GLY258B, HIS104B, HIS115E, HIS155B, HIS190B, HIS280E, HIS53E, ILE240E, ILE242E, LEU142B, LEU186B, LEU224E, LEU276E, LYS151B, LYS192B, LYS233E, LYS237E, LYS291B, LYS97B, MET227E, MET277E, PHE148B, PHE154B, PHE274E, PHE77B, PRO106B, PRO144B, PRO146B, PRO282E, PRO294B, SER150B, SER185B, SER187B, SER191B, SER220E, SER96B, THR138B, THR197B, THR225E, THR228E, THR243E, THR281E, THR290B, TRP236E, TYR188B, TYR251B, TYR252B, VAL143B, VAL147B, VAL226E, VAL278E
• C-E: ASP261C, GLY244E
• D-E: ALA257D, ARG56E, ARG89E, ARG95D, ASN153D, ASN166D, ASP131D, ASP152D, ASP167D, ASP189D, ASP261D, GLN65E, GLN86E, GLU168D, GLU94E, GLU98D, GLY145D, GLY149D, GLY258D, GLY260D, HIS117E, HIS190D, ILE61E, ILE82E, LEU186D, LEU262D, LEU83E, LYS151D, LYS192D, LYS272E, LYS62E, LYS97D, PHE148D, PHE77E, PRO144D, PRO146D, PRO165D, PRO63E, PRO73E, PRO92E, SER150D, SER187D, SER191D, SER85E, SER96D, THR169D, THR259D, THR84E, TYR164D, TYR188D, TYR64E, TYR87E, VAL147D