1M43

crystal structure of pmii in complex with pepstatin a to 2.4 a

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 48
  • Norm. En. per Res.: -2.7776
• 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	0.0	24.5378	-247.197	-222.6592	130	19	12	12037	0	8	11
A-C	-43.1961	0.0	-90.127	-133.3231	48	8	6	3293	0	0	0
A-D	0.0	0.0	-9.2386	-9.2386	6	0	1	317	0	0	0
B-C	0.0	0.0	-4.8415	-4.8415	5	0	1	219	0	0	0
B-D	-27.2315	0.0	-83.851	-111.0825	50	6	7	3287	0	0	0

Interface residues

• A-B: ALA117A, ALA117B, ALA219A, ALA219B, ALA50A, ALA50B, ASN109A, ASN109B, ASN13A, ASN13B, ASN228A, ASN228B, ASN288A, ASN288B, ASP225A, ASP225B, ASP279A, ASP279B, ASP293A, ASP293B, ASP303A, CYS285A, CYS285B, GLN12A, GLN12B, GLN275A, GLN275B, GLU112A, GLU112B, GLU278A, GLU278B, GLY110A, GLY110B, GLY281A, GLY281B, GLY291A, GLY291B, GLY51B, HIS276A, HIS276B, ILE14A, ILE14B, ILE237A, ILE237B, ILE277A, ILE277B, ILE289A, ILE290A, ILE290B, ILE32A, ILE32B, LEU227A, LEU227B, LEU231A, LEU242A, LEU242B, LEU248B, LEU284A, LEU284B, LEU287B, LEU292A, LEU292B, LEU53B, LYS229A, LYS238A, LYS238B, MET15A, MET15B, MET286A, MET286B, PHE111B, PHE11A, PHE11B, PHE120A, PHE120B, PHE16A, PHE16B, PHE226A, PHE241A, PHE241B, PHE244A, PHE244B, PHE294A, PHE294B, PRO113A, PRO113B, PRO223A, PRO240A, PRO240B, PRO243A, PRO243B, PRO282A, PRO282B, PRO295A, PRO295B, PRO297A, SER118A, SER118B, SER218A, SER218B, SER79B, THR108B, THR114A, THR114B, THR116A, THR116B, THR119A, THR119B, THR217A, THR224A, THR224B, THR247A, THR247B, THR49B, TYR115A, TYR115B, TYR17A, TYR17B, TYR245A, TYR245B, VAL222A, VAL236A, VAL236B, VAL239A, VAL239B, VAL246A, VAL246B, VAL280A, VAL280B, VAL296A
• A-C: ALA219A, ALA38A, ALA651C, ASN288A, ASN39A, ASN76A, ASP214A, ASP303A, ASP34A, GLY125A, GLY216A, GLY291A, GLY302A, GLY36A, GLY80A, ILE123A, ILE133A, ILE14A, ILE212A, ILE220A, ILE290A, ILE300A, ILE32A, LEU131A, LEU292A, MET15A, MET75A, PHE111A, PHE11A, PHE120A, PHE294A, SER118A, SER132A, SER215A, SER218A, SER37A, SER79A, THR114A, THR217A, THR221A, THR35A, TYR115A, TYR17A, TYR192A, TYR77A, VAL648C, VAL649C, VAL78A
• A-D: LEU242A, PHE241A, PRO240A, PRO243A, VAL2D, VAL3D
• B-C: LEU242B, PHE241B, PRO243B, VAL648C, VAL649C
• B-D: ALA219B, ALA38B, ALA5D, ASN288B, ASN39B, ASN76B, ASP214B, ASP303B, ASP34B, GLN275B, GLY125B, GLY216B, GLY302B, GLY36B, GLY80B, ILE123B, ILE133B, ILE14B, ILE212B, ILE220B, ILE290B, ILE300B, ILE32B, LEU131B, LEU191B, LEU292B, MET15B, MET75B, PHE111B, PHE11B, PHE120B, PHE16B, PHE244B, PHE294B, SER118B, SER132B, SER218B, SER37B, SER79B, THR114B, THR217B, THR221B, THR35B, TYR115B, TYR17B, TYR192B, TYR77B, VAL2D, VAL3D, VAL78B