3TSW

crystal structure of the pdz3-sh3-guk core module of human zo-1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 127
  • Norm. En. per Res.: -2.9444
• 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	-43.5489	54.2755	-187.887	-177.1604	69	16	5	7825	1	25	27
A-D	-43.5897	-0.6208	-228.76	-272.9705	136	16	1	10717	0	47	63
B-C	-95.7363	-60.8164	-217.382	-373.9348	127	19	0	10235	5	46	59
B-D	0.0	68.1411	-229.519	-161.3779	108	15	4	11018	1	41	37
C-D	-31.9111	39.292	-208.836	-201.4551	74	11	5	7835	0	27	25

Interface residues

• A-B: ALA584B, ALA641A, ALA719A, ARG561B, ARG639A, ARG645A, ARG715A, ASN538B, ASN795A, ASP667A, ASP699A, ASP701A, GLN582B, GLN587B, GLN696A, GLN700A, GLN720A, GLN791A, GLN792A, GLN794A, GLN796A, GLU526B, GLU528B, GLU530B, GLU541B, GLU570B, GLU640A, GLY642A, HIS703A, ILE668A, ILE694A, ILE697A, ILE698A, ILE790A, LEU583B, LEU590B, LEU638A, LEU644A, LEU691A, LEU716A, LEU797A, LYS529B, LYS539B, LYS592B, LYS695A, LYS702A, PHE525B, PHE537B, PHE643A, PRO591B, PRO646A, PRO723A, SER531B, SER536B, SER585B, SER801A, THR589B, THR593B, TRP721A, TRP799A, TYR527B, TYR588B, TYR669A, TYR718A, TYR722A, VAL586B, VAL637A, VAL798A, VAL800A
• A-D: ALA500D, ALA559D, ALA641A, ARG419A, ARG419D, ARG469A, ARG469D, ARG508A, ARG508D, ARG509A, ARG509D, ARG544A, ARG544D, ARG561D, ARG571A, ARG571D, ARG639A, ARG639D, ASN441D, ASN471A, ASN471D, ASN472A, ASN472D, ASN477A, ASN477D, ASN565A, ASN565D, ASN795A, ASN795D, ASP442A, ASP442D, ASP474A, ASP474D, ASP505A, ASP505D, ASP514A, ASP514D, ASP517D, GLN466D, GLN501A, GLN501D, GLN791D, GLN792A, GLN792D, GLN793A, GLN793D, GLN794A, GLN794D, GLN796A, GLN796D, GLU494D, GLU495D, GLU512A, GLU568A, GLU568D, GLU570A, GLU570D, GLU640A, GLU640D, GLY444D, GLY516D, GLY563D, GLY572D, HIS566A, HIS566D, ILE417A, ILE498D, ILE510A, ILE510D, ILE560A, ILE560D, ILE562A, ILE562D, LEU418A, LEU424A, LEU424D, LEU468A, LEU468D, LEU499A, LEU499D, LEU535D, LEU558D, LEU638A, LEU638D, LEU797A, LEU797D, LYS423A, LYS423D, LYS426A, LYS426D, LYS503A, LYS503D, LYS564A, LYS564D, LYS567A, LYS567D, MET416A, MET422A, MET422D, PHE446D, PHE475A, PRO420A, PRO420D, SER421A, SER421D, SER513A, SER513D, SER518A, SER518D, THR476A, THR476D, THR497A, THR497D, TRP799A, TRP799D, TYR520A, TYR520D, TYR533D, VAL425D, VAL443A, VAL443D, VAL470D, VAL473D, VAL506A, VAL506D, VAL511A, VAL515A, VAL515D, VAL546A, VAL546D, VAL569A, VAL569D, VAL637A, VAL637D, VAL798A, VAL798D
• B-C: ALA500B, ALA559B, ARG419C, ARG469B, ARG469C, ARG508B, ARG508C, ARG509B, ARG509C, ARG544B, ARG544C, ARG561B, ARG571B, ARG571C, ARG639B, ARG639C, ASN471B, ASN472B, ASN472C, ASN477B, ASN477C, ASN565B, ASN565C, ASN795B, ASN795C, ASP442B, ASP442C, ASP474B, ASP474C, ASP505B, ASP505C, ASP514B, ASP514C, ASP517B, GLN466B, GLN501B, GLN501C, GLN792C, GLN793C, GLN794B, GLN794C, GLN796B, GLN796C, GLU495B, GLU512B, GLU512C, GLU568B, GLU568C, GLU570B, GLU640B, GLU640C, GLU788C, GLY516B, GLY563B, GLY563C, GLY572B, HIS415C, HIS566B, HIS566C, ILE417C, ILE510B, ILE510C, ILE560B, ILE560C, ILE562B, ILE562C, LEU418C, LEU424B, LEU424C, LEU468B, LEU468C, LEU499B, LEU499C, LEU558B, LEU638B, LEU638C, LEU797B, LEU797C, LYS423B, LYS423C, LYS426B, LYS426C, LYS503B, LYS503C, LYS564B, LYS564C, LYS567B, LYS567C, MET416C, MET422B, MET422C, PHE446B, PRO420B, PRO420C, SER421B, SER421C, SER513B, SER513C, SER518B, SER518C, THR476B, THR476C, THR497B, THR497C, TRP799B, TRP799C, TYR520B, TYR520C, TYR533B, VAL425B, VAL443B, VAL443C, VAL470B, VAL473B, VAL473C, VAL506B, VAL506C, VAL511C, VAL515B, VAL515C, VAL546B, VAL546C, VAL569B, VAL569C, VAL637B, VAL637C, VAL798B
• B-D: ALA483B, ALA483D, ALA580B, ALA580D, ALA584B, ALA584D, ARG469B, ARG469D, ARG579B, ARG579D, ARG635B, ASN471B, ASN471D, ASN472B, ASN472D, ASN477B, ASN477D, ASN551B, ASN551D, ASN576B, ASN576D, ASN578B, ASN578D, ASP431B, ASP431D, ASP474B, ASP474D, ASP489B, ASP489D, GLN582B, GLN582D, GLN587B, GLU481B, GLU481D, GLU482B, GLU482D, GLU494B, GLU494D, GLU495B, GLU495D, GLU530B, GLU530D, GLU581B, GLU581D, GLU802D, GLY430B, GLY430D, GLY493D, GLY555B, GLY555D, ILE445D, ILE478B, ILE478D, ILE479B, ILE479D, ILE573B, ILE573D, LEU485B, LEU485D, LEU487B, LEU487D, LEU488B, LEU488D, LEU490B, LEU490D, LEU549D, LEU554B, LEU554D, LEU583B, LEU583D, LYS429B, LYS429D, LYS492B, LYS492D, LYS553B, LYS553D, LYS577B, LYS577D, PHE475B, PHE475D, PHE486B, PHE486D, PHE630B, PRO491B, PRO491D, PRO575B, PRO575D, SER432B, SER432D, SER531B, SER531D, SER556B, SER556D, SER585B, SER585D, TRP557B, TYR527B, TYR527D, TYR550B, TYR550D, VAL470B, VAL470D, VAL473B, VAL473D, VAL484B, VAL484D, VAL586B, VAL586D
• C-D: ALA584D, ALA641C, ALA719C, ARG561D, ARG639C, ARG645C, ASN538D, ASN717C, ASN795C, ASP667C, ASP699C, ASP701C, GLN587D, GLN696C, GLN700C, GLN720C, GLN791C, GLN792C, GLN793C, GLN794C, GLN796C, GLU526D, GLU528D, GLU530D, GLU541D, GLU570D, GLU640C, GLU802C, GLY642C, HIS524D, HIS692C, HIS703C, ILE668C, ILE694C, ILE697C, ILE698C, ILE724C, ILE790C, LEU583D, LEU590D, LEU638C, LEU644C, LEU691C, LEU716C, LEU797C, LYS529D, LYS539D, LYS564D, LYS592D, LYS695C, LYS702C, LYS787C, PHE525D, PHE537D, PHE643C, PRO591D, PRO646C, SER531D, SER536D, SER585D, SER801C, THR589D, THR593D, TRP721C, TRP799C, TYR527D, TYR588D, TYR669C, TYR718C, TYR722C, VAL586D, VAL637C, VAL798C, VAL800C