2R9B

structural analysis of plasmepsin 2 from plasmodium falciparum complexed with a peptide-based inhibitor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 78
  • Norm. En. per Res.: -2.8877
• 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-C	-39.8719	0.0	-185.371	-225.2429	78	22	5	7887	0	3	0
A-B	0.0	35.8705	-107.617	-71.7465	76	2	3	4865	0	20	29
A-D	0.0	0.0	-22.5786	-22.5786	18	2	2	1030	0	2	0
C-B	-8.2247	0.0	-21.5677	-29.7924	18	0	2	1012	0	2	0
C-D	0.0	0.0	-0.3974	-0.3974	2	0	0	38	0	0	0
B-D	-43.1244	0.0	-183.324	-226.4484	79	23	5	7936	0	2	0

Interface residues

• A-C: ALA117A, ALA219A, ALA38A, ASN210A, ASN288A, ASN39A, ASN76A, ASP214A, ASP293A, ASP303A, ASP34A, GLN12A, GLN194A, GLN907C, GLU112A, GLU74A, GLY110A, GLY125A, GLY127A, GLY216A, GLY291A, GLY302A, GLY36A, GLY80A, ILE103A, ILE123A, ILE133A, ILE14A, ILE212A, ILE220A, ILE289A, ILE290A, ILE300A, ILE32A, LEU131A, LEU191A, LEU292A, LEU906C, LYS901C, MET15A, MET75A, PHE111A, PHE120A, PHE16A, PHE294A, PHE299A, PHE903C, PHE908C, PRO113A, PRO243A, PRO295A, PRO902C, SER118A, SER132A, SER215A, SER218A, SER37A, SER79A, SER904C, THR114A, THR119A, THR217A, THR221A, THR298A, THR35A, THR81A, TRP128A, TRP193A, TRP41A, TYR115A, TYR17A, TYR192A, TYR77A, VAL213A, VAL222A, VAL73A, VAL78A, VAL82A
• A-B: ALA209A, ALA38A, ALA38B, ASN188A, ASN188B, ASN210A, ASN210B, ASN39A, ASN39B, ASN76A, ASN76B, ASP130A, ASP130B, ASP190A, ASP190B, ASP293A, ASP293B, GLU207A, GLU207B, GLU74A, GLU74B, GLY134A, GLY134B, GLY80A, GLY80B, HIS189A, HIS189B, HIS318A, ILE133A, ILE133B, ILE212A, ILE212B, ILE300A, ILE300B, LEU131A, LEU131B, LEU191A, LEU191B, LEU292A, LEU292B, LYS129A, LYS129B, LYS208A, LYS208B, MET75A, MET75B, PHE294A, PHE294B, PRO295A, PRO295B, PRO297A, PRO297B, SER132A, SER132B, SER135A, SER135B, SER79A, SER79B, THR196A, THR196B, THR221A, THR221B, THR224A, THR224B, THR298A, THR298B, THR81A, THR81B, TYR192A, TYR192B, TYR77A, TYR77B, VAL296A, VAL296B, VAL78A, VAL78B
• A-D: ASN188A, ASN210A, GLN194A, GLN907D, HIS189A, ILE212A, LEU191A, LEU906D, LYS901D, PHE294A, PHE908D, PRO295A, PRO297A, PRO902D, SER904D, THR298A, TYR192A, VAL296A
• C-B: ASN188B, ASN210B, GLN194B, GLN907C, HIS189B, ILE212B, LEU191B, LEU906C, LYS901C, PHE294B, PHE908C, PRO295B, PRO297B, PRO902C, SER904C, THR298B, TYR192B, VAL296B
• C-D: PHE908C, PHE908D
• B-D: ALA117B, ALA219B, ALA38B, ASN210B, ASN288B, ASN39B, ASN76B, ASP214B, ASP293B, ASP303B, ASP34B, GLN12B, GLN194B, GLN907D, GLU112B, GLU74B, GLY110B, GLY125B, GLY127B, GLY216B, GLY291B, GLY302B, GLY36B, GLY80B, ILE103B, ILE123B, ILE133B, ILE14B, ILE212B, ILE220B, ILE289B, ILE290B, ILE300B, ILE32B, LEU131B, LEU191B, LEU292B, LEU906D, LYS901D, MET15B, MET75B, PHE111B, PHE120B, PHE16B, PHE244B, PHE294B, PHE299B, PHE903D, PHE908D, PRO113B, PRO243B, PRO295B, PRO902D, SER118B, SER132B, SER215B, SER218B, SER37B, SER79B, SER904D, THR114B, THR119B, THR217B, THR221B, THR298B, THR35B, THR81B, TRP128B, TRP193B, TRP41B, TYR115B, TYR17B, TYR192B, TYR77B, VAL213B, VAL222B, VAL73B, VAL78B, VAL82B