3TIX

crystal structure of the chp1-tas3 complex core

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 192
  • Norm. En. per Res.: -4.5497
• Hub Node: A(2)

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	-100.5009	-89.588	-683.461	-873.5499	192	27	17	29110	5	56	52
A-D	-6.9918	-8.1651	-42.1001	-57.257	22	1	1	1667	1	11	4
B-C	-27.1805	-19.4953	-48.1695	-94.8453	24	7	1	1934	2	9	6
B-D	-12.1318	-5.1178	-276.36	-293.6096	133	16	4	10670	0	45	29
C-D	-87.6905	-64.7099	-684.863	-837.2634	191	24	18	28921	5	55	58

Interface residues

• A-B: ALA-37A, ALA16A, ALA32A, ALA609B, ALA62A, ALA65A, ALA660B, ALA709B, ALA80A, ALA81A, ARG-35A, ARG29A, ARG30A, ARG38A, ARG54A, ARG55A, ARG566B, ARG58A, ARG605B, ARG664B, ARG69A, ARG76A, ASN24A, ASN50A, ASN53A, ASN601B, ASN604B, ASN607B, ASN662B, ASN744B, ASP20A, ASP714B, ASP83A, CYS17A, CYS579B, CYS68A, GLN-34A, GLN571B, GLN59A, GLN5A, GLN673B, GLN681B, GLN704B, GLN75A, GLN802B, GLU23A, GLU37A, GLU41A, GLU45A, GLU56A, GLU574B, GLU60A, GLU63A, GLU64A, GLU652B, GLU657B, GLU708B, GLU710B, GLU711B, GLU718B, GLU71A, GLU748B, GLY-33A, GLY26A, GLY527B, GLY577B, GLY606B, GLY608B, GLY610B, GLY683B, GLY771B, GLY7A, GLY8A, HIS25A, HIS40A, HIS46A, HIS598B, HIS670B, HIS684B, ILE18A, ILE602B, ILE611B, ILE654B, ILE685B, ILE6A, LEU12A, LEU15A, LEU36A, LEU42A, LEU48A, LEU51A, LEU524B, LEU530B, LEU565B, LEU573B, LEU580B, LEU603B, LEU613B, LEU61A, LEU620B, LEU621B, LEU651B, LEU655B, LEU663B, LEU676B, LEU679B, LEU680B, LEU682B, LEU712B, LEU73A, LEU747B, LEU772B, LEU774B, LEU776B, LEU78A, LEU79A, LEU9A, LYS-32A, LYS-36A, LYS528B, LYS52A, LYS57A, LYS600B, LYS661B, LYS666B, LYS667B, LYS671B, LYS703B, LYS777B, LYS77A, MET72A, PHE14A, PHE21A, PHE43A, PHE567B, PHE576B, PHE599B, PHE622B, PHE643B, PHE770B, PRO10A, PRO13A, PRO22A, PRO665B, PRO668B, PRO705B, PRO707B, PRO775B, SER11A, SER19A, SER28A, SER31A, SER35A, SER49A, SER529B, SER659B, SER674B, SER677B, SER702B, SER706B, SER70A, SER746B, SER74A, SER773B, THR27A, THR33A, THR44A, THR569B, THR578B, THR618B, THR715B, TRP47A, TRP658B, TYR531B, TYR572B, TYR633B, TYR669B, TYR675B, TYR678B, TYR67A, TYR803B, VAL34A, VAL39A, VAL526B, VAL564B, VAL568B, VAL575B, VAL612B, VAL656B, VAL66A, VAL745B, VAL82A
• A-D: ARG38A, ASN50A, ASN53A, ASP900D, ASP901D, GLU45A, HIS46A, ILE899D, LEU42A, LEU48A, LEU51A, LYS52A, SER49A, SER856D, SER902D, SER906D, SER909D, THR44A, THR860D, TRP47A, VAL898D, VAL905D
• B-C: ARG38C, ASN50C, ASN53C, ASP900B, ASP901B, GLN912B, GLU45C, HIS46C, ILE899B, LEU42C, LEU48C, LEU51C, LYS52C, PHE43C, SER49C, SER902B, SER906B, SER909B, THR44C, THR860B, THR910B, TRP47C, VAL898B, VAL905B
• B-D: ALA908B, ALA908D, ARG805B, ARG805D, ASP686B, ASP686D, ASP749B, ASP749D, ASP750B, ASP750D, ASP752B, ASP752D, ASP852B, ASP894B, ASP894D, ASP896B, ASP896D, ASP900B, ASP900D, ASP901B, ASP901D, ASP920B, ASP920D, GLN753B, GLN753D, GLN802B, GLN802D, GLN893B, GLN893D, GLN912B, GLN912D, GLN915B, GLN915D, GLU748B, GLU748D, GLY683B, GLY683D, HIS684B, HIS684D, ILE654B, ILE654D, ILE690B, ILE850B, ILE897B, ILE897D, ILE899B, ILE899D, LEU682B, LEU682D, LEU769B, LEU772B, LEU774B, LEU774D, LEU776B, LEU776D, LEU798D, LEU804B, LEU804D, LEU891B, LEU911B, LEU911D, LEU913B, LEU913D, LEU941D, LYS661B, LYS661D, LYS666B, LYS666D, LYS689B, LYS689D, LYS777B, LYS777D, LYS855B, LYS916B, LYS916D, LYS917B, LYS917D, LYS921B, LYS921D, MET853B, MET853D, PHE768B, PHE768D, PRO775B, PRO775D, PRO806B, PRO806D, PRO809B, PRO809D, PRO847B, PRO848B, PRO848D, SER773B, SER773D, SER778D, SER801B, SER801D, SER849B, SER849D, SER856B, SER856D, SER906B, SER906D, SER909B, SER909D, THR799B, THR799D, THR860B, THR860D, THR910B, THR910D, TRP658B, TRP658D, TRP895B, TRP895D, TYR800B, TYR800D, TYR803B, TYR803D, TYR857B, TYR857D, TYR892B, TYR914B, TYR914D, TYR919B, VAL859B, VAL859D, VAL898B, VAL898D, VAL905B, VAL905D, VAL938B, VAL938D
• C-D: ALA-37C, ALA16C, ALA32C, ALA609D, ALA62C, ALA65C, ALA660D, ALA709D, ALA80C, ALA81C, ARG-35C, ARG29C, ARG30C, ARG38C, ARG54C, ARG55C, ARG566D, ARG58C, ARG605D, ARG664D, ARG69C, ARG76C, ASN50C, ASN53C, ASN601D, ASN604D, ASN607D, ASN662D, ASN744D, ASP20C, ASP714D, CYS17C, CYS579D, CYS68C, GLN-34C, GLN571D, GLN59C, GLN5C, GLN673D, GLN681D, GLN704D, GLN75C, GLN802D, GLU23C, GLU37C, GLU41C, GLU45C, GLU56C, GLU574D, GLU60C, GLU63C, GLU64C, GLU652D, GLU657D, GLU708D, GLU710D, GLU711D, GLU718D, GLU71C, GLU748D, GLY-33C, GLY527D, GLY577D, GLY606D, GLY608D, GLY610D, GLY683D, GLY771D, GLY7C, GLY8C, HIS40C, HIS46C, HIS598D, HIS670D, HIS684D, ILE18C, ILE602D, ILE611D, ILE654D, ILE685D, ILE6C, LEU12C, LEU15C, LEU36C, LEU42C, LEU48C, LEU51C, LEU524D, LEU530D, LEU565D, LEU573D, LEU580D, LEU603D, LEU613D, LEU61C, LEU620D, LEU621D, LEU651D, LEU655D, LEU663D, LEU676D, LEU679D, LEU680D, LEU682D, LEU712D, LEU73C, LEU747D, LEU772D, LEU774D, LEU776D, LEU78C, LEU79C, LEU9C, LYS-32C, LYS-36C, LYS528D, LYS52C, LYS57C, LYS600D, LYS661D, LYS666D, LYS667D, LYS671D, LYS703D, LYS777D, LYS77C, MET72C, PHE14C, PHE21C, PHE43C, PHE567D, PHE576D, PHE599D, PHE622D, PHE643D, PHE648D, PHE770D, PRO10C, PRO13C, PRO22C, PRO665D, PRO668D, PRO705D, PRO707D, PRO775D, SER-57C, SER11C, SER19C, SER31C, SER35C, SER49C, SER529D, SER570D, SER659D, SER674D, SER677D, SER702D, SER706D, SER70C, SER746D, SER74C, SER773D, SER778D, SER801D, THR33C, THR44C, THR569D, THR578D, THR618D, THR715D, TRP47C, TRP658D, TYR531D, TYR572D, TYR633D, TYR669D, TYR675D, TYR678D, TYR67C, TYR803D, VAL34C, VAL39C, VAL526D, VAL564D, VAL568D, VAL575D, VAL612D, VAL656D, VAL66C, VAL745D, VAL82C