3CNC

crystal structure of ad16 fiber knob

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 104
  • Norm. En. per Res.: -3.04
• 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	-53.7624	-0.1068	-255.06	-308.9291	103	24	9	11111	4	16	14
A-C	-32.8919	-4.2053	-261.531	-298.6282	102	16	9	10994	4	17	14
A-F	0.0	0.0	-8.7571	-8.7571	34	1	0	741	0	3	1
B-C	-41.8006	-5.739	-261.831	-309.3706	102	15	9	10818	4	16	14
B-D	-27.0376	0.0	-66.0638	-93.1014	39	4	4	2948	0	1	3
B-F	0.0	3.7995	-8.5556	-4.7561	36	0	0	839	0	10	10
D-E	-41.6266	-9.7514	-250.268	-301.646	103	17	9	10990	4	16	14
D-F	-30.3585	-5.925	-261.287	-297.5706	101	6	10	10841	4	16	14
E-F	-45.9569	-4.2001	-266.001	-316.158	104	20	9	11051	4	18	14

Interface residues

• A-B: ALA167A, ALA269B, ARG309B, ARG350B, ASN160A, ASN161A, ASN193A, ASN193B, ASN198A, ASN198B, ASN249A, ASN251A, ASN281B, ASP248A, ASP283B, ASP352B, ASP353B, CYS289A, GLN250A, GLU159A, GLU282B, GLU288A, GLU288B, GLU333A, GLU351B, GLY166A, GLY194A, GLY194B, GLY195B, GLY199A, GLY262B, GLY287B, GLY296A, ILE197A, ILE197B, ILE201A, ILE285B, ILE340A, ILE349B, LEU163A, LEU188A, LEU190A, LEU196A, LEU196B, LEU203A, LEU280B, LEU298A, LEU307B, LEU339A, LYS168A, LYS185A, LYS192A, LYS192B, LYS247A, LYS261B, LYS292A, LYS302B, MET204A, PHE263A, PHE344A, PHE344B, PHE345A, PHE345B, PHE346A, PHE346B, PRO169A, PRO265B, PRO271B, PRO300A, PRO343A, SER266B, SER293A, SER325B, SER342A, SER347A, SER347B, THR162A, THR165A, THR187A, THR202A, THR267B, THR268B, THR279B, THR294A, THR297A, THR304B, THR306B, THR338A, THR341A, TRP164A, TYR200A, TYR270B, TYR284B, TYR286B, TYR290A, TYR291A, TYR348B, VAL189A, VAL191A, VAL191B, VAL303B, VAL305B, VAL337A
• A-C: ALA167C, ALA269A, ARG309A, ARG350A, ASN160C, ASN161C, ASN193A, ASN193C, ASN198A, ASN198C, ASN249C, ASN251C, ASN281A, ASP248C, ASP283A, ASP352A, ASP353A, CYS289C, GLN250C, GLU159C, GLU282A, GLU288A, GLU288C, GLU333C, GLU351A, GLY166C, GLY194A, GLY194C, GLY195A, GLY199C, GLY262A, GLY287A, GLY296C, ILE197A, ILE197C, ILE201C, ILE285A, ILE340C, ILE349A, LEU163C, LEU188C, LEU190C, LEU196A, LEU196C, LEU203C, LEU280A, LEU298C, LEU307A, LEU339C, LYS168C, LYS185C, LYS192A, LYS192C, LYS247C, LYS261A, LYS292C, LYS302A, MET204C, PHE263C, PHE344A, PHE344C, PHE345A, PHE345C, PHE346A, PHE346C, PRO169C, PRO265A, PRO271A, PRO300C, PRO343C, SER266A, SER293C, SER342C, SER347A, SER347C, THR162C, THR165C, THR187C, THR202C, THR267A, THR268A, THR279A, THR294C, THR297C, THR304A, THR306A, THR338C, THR341C, TRP164C, TYR200C, TYR270A, TYR284A, TYR286A, TYR290C, TYR291C, TYR348A, VAL189C, VAL191A, VAL191C, VAL303A, VAL305A, VAL337C
• A-F: ALA167A, ALA171A, ALA253A, ALA253F, ASN172F, ASN243F, ASN245F, ASN249A, ASN249F, ASN251A, ASN251F, ASP248A, ASP248F, GLN250A, GLY166A, GLY255A, GLY255F, ILE158F, ILE257F, LYS168A, LYS185A, LYS241F, MET252A, MET252F, PRO169A, PRO182F, SER170A, SER170F, SER242A, SER242F, THR165A, THR254A, THR254F, THR256F
• B-C: ALA167B, ALA269C, ARG309C, ARG350C, ASN160B, ASN161B, ASN193B, ASN193C, ASN198B, ASN198C, ASN249B, ASN251B, ASN281C, ASP248B, ASP283C, ASP352C, ASP353C, CYS289B, GLN250B, GLU159B, GLU282C, GLU288B, GLU288C, GLU333B, GLU351C, GLY166B, GLY194B, GLY194C, GLY195C, GLY199B, GLY262C, GLY287C, GLY296B, ILE197B, ILE197C, ILE201B, ILE285C, ILE340B, ILE349C, LEU163B, LEU188B, LEU190B, LEU196B, LEU196C, LEU203B, LEU280C, LEU298B, LEU307C, LEU339B, LYS168B, LYS185B, LYS192B, LYS192C, LYS247B, LYS261C, LYS292B, LYS302C, MET204B, PHE263B, PHE344B, PHE344C, PHE345B, PHE345C, PHE346B, PHE346C, PRO169B, PRO265C, PRO271C, PRO300B, PRO343B, SER266C, SER293B, SER342B, SER347B, SER347C, THR162B, THR165B, THR187B, THR202B, THR267C, THR268C, THR279C, THR294B, THR297B, THR304C, THR306C, THR338B, THR341B, TRP164B, TYR200B, TYR270C, TYR284C, TYR286C, TYR290B, TYR291B, TYR348C, VAL189B, VAL191B, VAL191C, VAL303C, VAL305C, VAL337B
• B-D: ALA269D, ALA276B, ALA276D, ALA313B, ALA317D, ARG309B, ARG309D, ARG310B, ASN308D, GLU278B, GLU278D, GLU351D, GLY315B, ILE273B, ILE273D, LEU280D, LEU312B, MET311B, MET311D, MET316B, MET316D, PHE272B, PHE272D, PRO271B, PRO271D, SER266D, SER314B, SER314D, THR267D, THR268D, THR274B, THR274D, THR277B, THR277D, THR279D, TYR236B, TYR270D, TYR275B, TYR275D
• B-F: ALA171F, ALA206F, ALA317B, ASN172F, ASN211F, ASN229B, ASN251F, ASP183F, ASP228B, ASP352B, ASP353B, GLN250F, GLU208F, GLU336F, GLU351B, GLY205F, GLY315B, LYS168F, LYS185F, LYS261B, MET311B, PRO169F, PRO182F, SER170F, SER181F, SER207F, SER266B, SER314B, THR210F, THR230B, THR267B, THR268B, THR274B, THR338F, TYR318B, VAL337F
• D-E: ALA167D, ALA269E, ARG309E, ARG350E, ASN160D, ASN161D, ASN193D, ASN193E, ASN198D, ASN198E, ASN249D, ASN251D, ASN281E, ASP248D, ASP283E, ASP352E, ASP353E, CYS289D, GLN250D, GLU159D, GLU282E, GLU288D, GLU288E, GLU333D, GLU351E, GLY166D, GLY194D, GLY194E, GLY195E, GLY199D, GLY199E, GLY262E, GLY287E, GLY296D, ILE197D, ILE197E, ILE201D, ILE285E, ILE340D, ILE349E, LEU163D, LEU188D, LEU190D, LEU196D, LEU196E, LEU203D, LEU280E, LEU298D, LEU307E, LEU339D, LYS168D, LYS185D, LYS192D, LYS192E, LYS247D, LYS261E, LYS292D, LYS302E, MET204D, PHE263D, PHE299D, PHE344D, PHE344E, PHE345D, PHE345E, PHE346D, PHE346E, PRO169D, PRO265E, PRO271E, PRO300D, PRO343D, SER266E, SER293D, SER342D, SER347D, SER347E, THR162D, THR165D, THR187D, THR202D, THR267E, THR268E, THR279E, THR294D, THR304E, THR306E, THR338D, THR341D, TRP164D, TYR200D, TYR270E, TYR284E, TYR286E, TYR290D, TYR291D, TYR348E, VAL189D, VAL191D, VAL191E, VAL303E, VAL305E, VAL337D
• D-F: ALA167F, ALA269D, ARG309D, ARG350D, ASN160F, ASN161F, ASN193D, ASN193F, ASN198D, ASN198F, ASN249F, ASN251F, ASN281D, ASP248F, ASP283D, ASP352D, ASP353D, CYS289F, GLN250F, GLU159F, GLU282D, GLU288D, GLU288F, GLU333F, GLU351D, GLY166F, GLY194D, GLY194F, GLY195D, GLY199F, GLY262D, GLY287D, GLY296F, ILE197D, ILE197F, ILE201F, ILE285D, ILE340F, ILE349D, LEU163F, LEU188F, LEU190F, LEU196D, LEU196F, LEU203F, LEU280D, LEU298F, LEU307D, LEU339F, LYS168F, LYS185F, LYS192D, LYS192F, LYS247F, LYS261D, LYS292F, LYS302D, MET204F, PHE263F, PHE344D, PHE344F, PHE345D, PHE345F, PHE346D, PHE346F, PRO169F, PRO265D, PRO271D, PRO300F, PRO343F, SER266D, SER293F, SER342F, SER347D, SER347F, THR162F, THR165F, THR187F, THR202F, THR267D, THR268D, THR279D, THR294F, THR304D, THR306D, THR338F, THR341F, TRP164F, TYR200F, TYR270D, TYR284D, TYR286D, TYR290F, TYR291F, TYR348D, VAL189F, VAL191D, VAL191F, VAL303D, VAL305D, VAL337F
• E-F: ALA167E, ALA269F, ARG309F, ARG350F, ASN160E, ASN161E, ASN193E, ASN193F, ASN198E, ASN198F, ASN249E, ASN251E, ASN281F, ASP248E, ASP283F, ASP352F, ASP353F, CYS289E, GLN250E, GLU159E, GLU282F, GLU288E, GLU288F, GLU333E, GLU351F, GLY166E, GLY194E, GLY194F, GLY195F, GLY199E, GLY262F, GLY287F, GLY296E, ILE197E, ILE197F, ILE201E, ILE285F, ILE340E, ILE349F, LEU163E, LEU188E, LEU190E, LEU196E, LEU196F, LEU203E, LEU280F, LEU298E, LEU307F, LEU339E, LYS168E, LYS185E, LYS192E, LYS192F, LYS247E, LYS261F, LYS292E, LYS302F, MET204E, MET264F, PHE263E, PHE344E, PHE344F, PHE345E, PHE345F, PHE346E, PHE346F, PRO169E, PRO265F, PRO271F, PRO300E, PRO343E, SER266F, SER293E, SER325F, SER342E, SER347E, SER347F, THR162E, THR165E, THR187E, THR202E, THR267F, THR268F, THR279F, THR294E, THR297E, THR304F, THR306F, THR338E, THR341E, TRP164E, TYR200E, TYR270F, TYR284F, TYR286F, TYR290E, TYR291E, TYR348F, VAL189E, VAL191E, VAL191F, VAL303F, VAL305F, VAL337E