3JV7

structure of adh-a from rhodococcus ruber

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 154
  • Norm. En. per Res.: -4.0729
• 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	0.0	-117.487	-117.487	67	3	7	5057	0	8	7
A-C	-23.7581	-16.948	-117.61	-158.3162	73	4	0	4762	2	20	35
A-D	-108.237	-100.9627	-429.38	-638.5798	158	9	18	15712	8	20	17
B-C	-104.6536	-102.4677	-420.105	-627.2263	154	11	18	15679	8	20	17
B-D	-28.4532	-18.1744	-115.595	-162.2225	75	3	0	4683	2	20	35
C-D	0.0	0.0	-111.192	-111.192	67	3	6	4917	0	8	7

Interface residues

• A-B: ALA193A, ALA193B, ALA196A, ALA196B, ALA197A, ALA197B, ALA306A, ALA306B, ALA308A, ALA308B, ALA310A, ALA310B, ARG192A, ARG192B, ARG198A, ARG198B, ARG309A, ARG309B, ARG312A, ARG312B, ASP218A, ASP218B, GLU300A, GLU300B, GLU303A, GLU303B, GLY170A, GLY170B, GLY172A, GLY172B, ILE190A, ILE190B, LEU166A, LEU166B, LEU169A, LEU169B, LEU191A, LEU191B, LEU301B, LEU307A, LEU307B, LEU313A, LEU313B, MET302A, MET302B, PRO167A, PRO167B, PRO171A, PRO171B, SER163A, SER163B, SER173A, SER173B, SER195A, SER195B, SER299A, SER299B, TYR159A, TYR159B, VAL194A, VAL194B, VAL199A, VAL199B, VAL304A, VAL304B, VAL305A, VAL305B
• A-C: ALA134A, ALA134C, ALA306A, ALA306C, ALA94A, ALA94C, ALA97A, ALA97C, ALA99A, ALA99C, ARG100A, ARG100C, ARG102A, ARG102C, ARG108A, ARG135A, ARG135C, ARG298A, ARG298C, CYS92A, CYS92C, CYS95A, CYS95C, CYS98A, CYS98C, GLU103A, GLU103C, GLU300A, GLU300C, GLU303A, GLU303C, GLU73A, GLU73C, GLY101A, GLY101C, GLY26A, GLY26C, GLY74A, GLY74C, GLY77A, GLY77C, GLY93A, GLY93C, HIS96A, HIS96C, LEU112A, LEU112C, LEU137A, LEU137C, LEU301A, LEU301C, MET302A, MET302C, PHE78A, PHE78C, PRO139A, PRO139C, PRO25A, PRO25C, SER299A, SER299C, THR297A, THR297C, THR76A, THR76C, TYR159A, TYR159C, VAL138A, VAL138C, VAL304A, VAL304C, VAL75A, VAL75C
• A-D: ALA109A, ALA109D, ALA110A, ALA110D, ALA261A, ALA261D, ALA273A, ALA273D, ALA275A, ALA275D, ALA277A, ALA277D, ALA288A, ALA288D, ALA53A, ALA53D, ALA97A, ALA97D, ARG100A, ARG100D, ARG102A, ARG102D, ARG108A, ARG108D, ARG164A, ARG164D, ASN104A, ASN104D, ASP111A, ASP111D, ASP245A, ASP245D, ASP263A, ASP263D, CYS106A, CYS106D, CYS95A, CYS95D, GLN238A, GLN238D, GLN250A, GLN250D, GLN257A, GLN257D, GLN51A, GLN51D, GLU103A, GLU103D, GLY170A, GLY170D, GLY172A, GLY172D, GLY237A, GLY237D, GLY239A, GLY239D, GLY248A, GLY248D, GLY264A, GLY264D, GLY270A, GLY270D, GLY274A, GLY274D, GLY280A, GLY280D, GLY287A, GLY287D, HIS160A, HIS160D, HIS265A, HIS265D, HIS272A, HIS272D, HIS276A, HIS276D, HIS96A, HIS96D, ILE253A, ILE253D, ILE266A, ILE266D, ILE271A, ILE271D, ILE284A, ILE284D, LEU168A, LEU168D, LYS278A, LYS278D, MET283A, MET283D, MET47A, MET47D, PHE246A, PHE246D, PHE281A, PHE281D, PHE282A, PHE282D, PHE286A, PHE286D, PHE43A, PHE43D, PRO116A, PRO116D, PRO167A, PRO167D, PRO171A, PRO171D, PRO285A, PRO285D, PRO293A, PRO293D, PRO89A, PRO89D, SER173A, SER173D, SER267A, SER267D, SER289A, SER289D, THR107A, THR107D, THR157A, THR157D, THR241A, THR241D, THR292A, THR292D, THR297A, THR297D, TRP295A, TRP295D, TYR105A, TYR105D, TYR294A, TYR294D, TYR54A, TYR54D, VAL165A, VAL165D, VAL247A, VAL247D, VAL262A, VAL262D, VAL268A, VAL268D, VAL269A, VAL269D, VAL279A, VAL279D, VAL290A, VAL290D, VAL291A, VAL291D, VAL44A, VAL44D
• B-C: ALA109C, ALA110B, ALA110C, ALA261B, ALA261C, ALA273B, ALA273C, ALA275B, ALA275C, ALA277B, ALA277C, ALA288B, ALA288C, ALA53C, ALA97B, ALA97C, ARG100B, ARG100C, ARG102B, ARG102C, ARG108B, ARG108C, ARG164B, ARG164C, ASN104B, ASN104C, ASP111B, ASP111C, ASP245B, ASP245C, ASP263B, ASP263C, CYS106B, CYS106C, CYS95B, CYS95C, GLN238B, GLN238C, GLN250C, GLN257B, GLN257C, GLN51B, GLN51C, GLU103B, GLU103C, GLY170B, GLY170C, GLY172B, GLY172C, GLY237B, GLY237C, GLY239B, GLY248B, GLY248C, GLY264B, GLY264C, GLY270B, GLY270C, GLY274B, GLY274C, GLY280B, GLY280C, GLY287B, GLY287C, HIS160B, HIS160C, HIS265B, HIS265C, HIS272B, HIS272C, HIS276B, HIS276C, HIS96B, HIS96C, ILE253B, ILE253C, ILE266B, ILE266C, ILE271B, ILE271C, ILE284B, ILE284C, LEU168B, LEU168C, LYS278B, LYS278C, MET283B, MET283C, MET47B, MET47C, PHE246B, PHE246C, PHE281B, PHE281C, PHE282B, PHE282C, PHE286B, PHE286C, PHE43B, PHE43C, PRO116B, PRO116C, PRO167B, PRO167C, PRO171B, PRO171C, PRO285B, PRO285C, PRO293B, PRO293C, PRO89B, PRO89C, SER173B, SER173C, SER267B, SER267C, SER289B, SER289C, THR107B, THR107C, THR157B, THR157C, THR241B, THR241C, THR292B, THR292C, THR297B, THR297C, TRP295B, TRP295C, TYR105B, TYR105C, TYR294B, TYR294C, TYR54B, TYR54C, VAL165B, VAL165C, VAL247B, VAL247C, VAL262B, VAL262C, VAL268B, VAL268C, VAL269B, VAL269C, VAL279B, VAL279C, VAL290B, VAL290C, VAL291B, VAL291C, VAL44B, VAL44C
• B-D: ALA134B, ALA134D, ALA306B, ALA306D, ALA94B, ALA94D, ALA97B, ALA97D, ALA99B, ALA99D, ARG100B, ARG100D, ARG102B, ARG102D, ARG108B, ARG108D, ARG135B, ARG135D, ARG298B, ARG298D, CYS92B, CYS92D, CYS95B, CYS95D, CYS98B, CYS98D, GLU103B, GLU103D, GLU300B, GLU300D, GLU303B, GLU303D, GLU73B, GLU73D, GLY101B, GLY101D, GLY26B, GLY26D, GLY74B, GLY74D, GLY77B, GLY77D, GLY93B, GLY93D, HIS96B, HIS96D, LEU112B, LEU112D, LEU137B, LEU137D, LEU301B, LEU301D, MET302B, MET302D, PHE78B, PHE78D, PRO139B, PRO139D, PRO25B, PRO25D, SER133B, SER299B, SER299D, THR297B, THR297D, THR76B, THR76D, TYR159B, TYR159D, VAL138B, VAL138D, VAL304B, VAL304D, VAL75B, VAL75D
• C-D: ALA193C, ALA193D, ALA196C, ALA196D, ALA197C, ALA197D, ALA306C, ALA306D, ALA308C, ALA308D, ALA310C, ALA310D, ARG192C, ARG192D, ARG198C, ARG198D, ARG309C, ARG309D, ARG312C, ARG312D, ASP218C, ASP218D, GLU300C, GLU300D, GLU303C, GLU303D, GLY170C, GLY170D, GLY172C, GLY172D, ILE190C, ILE190D, LEU166C, LEU166D, LEU169C, LEU169D, LEU191C, LEU191D, LEU301C, LEU307C, LEU307D, LEU313C, LEU313D, MET302C, MET302D, PRO167C, PRO167D, PRO171C, PRO171D, SER163C, SER163D, SER173C, SER173D, SER195C, SER195D, SER299C, SER299D, TYR159C, TYR159D, VAL194C, VAL194D, VAL199C, VAL199D, VAL304C, VAL304D, VAL305C, VAL305D