3MMY

structural and functional analysis of the interaction between the nucleoporin nup98 and the mrna export factor rae1

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 114
  • Norm. En. per Res.: -6.1116
• Hub Node: A(4)

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	-109.3481	-108.4856	-481.775	-699.6087	116	11	1	16715	9	62	59
A-C	-172.6057	3.0881	-394.043	-563.5606	116	21	0	12998	0	28	25
A-D	0.0	0.0	-0.043	-0.043	2	0	0	9	0	0	0
A-G	0.0	0.0	-72.834	-72.834	40	2	1	2496	0	2	3
B-C	0.0	0.0	-0.009	-0.009	2	0	0	7	0	0	0
C-D	-108.9354	-117.1671	-487.961	-714.0635	120	14	1	17007	9	61	58
C-G	0.0	-2.8671	-2.8723	-5.7395	25	0	0	499	0	7	5
E-F	-107.6828	-107.7456	-481.292	-696.7204	114	13	1	16710	9	62	59
E-G	-171.4116	2.1365	-399.288	-568.5631	117	14	0	13178	0	28	25
E-H	0.0	0.0	-0.0379	-0.0379	2	0	0	7	0	0	0
F-G	0.0	0.0	-0.0233	-0.0233	3	0	0	8	0	0	0
G-H	-104.8089	-123.4284	-494.467	-722.7044	119	16	1	17138	10	61	59

Interface residues

• A-B: ALA128A, ALA188A, ALA191B, ALA269A, ALA275A, ALA63A, ARG172A, ARG204B, ARG212B, ARG216A, ARG239A, ARG261A, ASN165B, ASN181B, ASN211B, ASN263A, ASN277A, ASN346A, ASN351A, ASN64A, ASP107A, ASP171B, ASP207B, ASP272A, ASP294A, ASP337A, ASP39A, ASP40A, CYS106A, CYS173A, CYS188B, GLN187B, GLN209B, GLN214A, GLN271A, GLU171A, GLU189A, GLU196B, GLU201B, GLU202B, GLU206B, GLU237A, GLU343A, GLY159B, GLY169B, GLY238A, GLY341A, GLY43A, GLY87A, HIS186B, HIS213A, HIS215A, HIS260A, HIS342A, ILE162B, ILE182B, ILE189B, ILE236A, ILE273A, ILE42A, LEU200B, LEU203B, LEU205B, LEU90A, LYS108A, LYS131A, LYS163B, LYS185B, LYS198B, LYS213B, LYS258A, LYS340A, MET173B, MET192B, PHE164B, PHE344A, PRO129A, PRO166B, PRO167B, PRO270A, PRO317A, PRO347A, PRO88A, SER105A, SER183B, SER197B, SER199B, SER235A, SER262A, SER268A, SER293A, SER319A, SER335A, SER339A, SER41A, SER61A, THR160B, THR161B, THR168B, THR170B, THR172B, THR180B, THR184B, THR190B, THR86A, TRP149A, TRP338A, TRP62A, TYR174A, TYR195B, TYR208B, TYR274A, TYR336A, TYR345A, VAL130A, VAL276A
• A-C: ALA304A, ALA304C, ALA358A, ALA358C, ALA359A, ALA359C, ARG239A, ARG239C, ARG305A, ARG305C, ARG356A, ARG356C, ARG365A, ARG365C, ASN27A, ASN27C, ASN328C, ASN357A, ASN357C, ASP301A, ASP301C, ASP303A, ASP303C, ASP31A, ASP31C, ASP73A, ASP73C, CYS259A, CYS259C, GLN76A, GLN76C, GLU312A, GLU312C, GLU33A, GLU33C, GLU360A, GLU360C, GLU361A, GLU361C, GLY11A, GLY11C, GLY14A, GLY14C, GLY75A, GLY75C, GLY9A, GLY9C, HIS285A, HIS285C, ILE242A, ILE242C, ILE32A, ILE32C, LEU288A, LEU288C, LEU308A, LEU308C, LEU355A, LEU355C, LEU362A, LEU362C, LYS258A, LYS258C, LYS302A, LYS302C, LYS307A, LYS307C, LYS309A, LYS309C, LYS30A, LYS30C, LYS363A, LYS363C, MET17A, MET17C, MET29A, MET29C, PHE10A, PHE10C, PHE18A, PHE18C, PHE255A, PHE255C, PHE257A, PHE257C, PHE299A, PHE299C, PHE354A, PRO364A, PRO364C, SER13A, SER13C, SER16A, SER16C, SER74A, SER74C, SER8A, SER8C, THR12A, THR12C, THR15A, THR15C, THR256A, THR256C, THR287A, THR287C, THR290A, THR290C, THR306A, THR306C, THR6A, THR7A, TRP300A, TRP300C, VAL240A, VAL240C
• A-D: MET173D, PHE18A
• A-G: ALA138G, ARG159G, ASN140G, ASN199G, ASN55A, ASP157G, ASP73A, CYS143G, GLN196G, GLN200G, GLN72A, GLN76A, GLU198G, GLU70A, GLY54A, GLY5A, ILE136G, LEU167G, LEU197G, LEU52A, LYS154G, MET145G, MET164G, MET165G, PHE155G, PHE4A, PHE56A, PRO139G, PRO163G, PRO201G, PRO53A, SER142G, SER202G, SER74A, THR6A, TRP156G, TYR141G, VAL144G, VAL166G, VAL71A
• B-C: MET173B, PHE18C
• C-D: ALA128C, ALA188C, ALA191D, ALA269C, ALA275C, ALA63C, ARG172C, ARG204D, ARG212D, ARG216C, ARG239C, ARG261C, ASN165D, ASN181D, ASN211D, ASN263C, ASN266C, ASN277C, ASN346C, ASN351C, ASN64C, ASP107C, ASP171D, ASP207D, ASP272C, ASP294C, ASP337C, ASP39C, ASP40C, CYS106C, CYS173C, CYS188D, GLN187D, GLN209D, GLN214C, GLN271C, GLU171C, GLU189C, GLU196D, GLU201D, GLU202D, GLU206D, GLU237C, GLU343C, GLY159D, GLY169D, GLY238C, GLY264C, GLY341C, GLY43C, GLY87C, HIS186D, HIS213C, HIS215C, HIS260C, HIS342C, ILE162D, ILE182D, ILE189D, ILE236C, ILE273C, ILE42C, LEU200D, LEU203D, LEU205D, LEU90C, LYS108C, LYS131C, LYS163D, LYS185D, LYS198D, LYS213D, LYS258C, LYS340C, MET173D, MET192D, PHE164D, PHE344C, PRO129C, PRO166D, PRO167D, PRO270C, PRO317C, PRO347C, PRO88C, SER105C, SER183D, SER197D, SER199D, SER235C, SER262C, SER268C, SER293C, SER319C, SER335C, SER339C, SER41C, SER61C, THR160D, THR161D, THR168D, THR170D, THR172D, THR180D, THR184D, THR190D, THR265C, THR267C, THR86C, TRP149C, TRP338C, TRP62C, TYR174C, TYR195D, TYR208D, TYR274C, TYR336C, TYR345C, VAL130C, VAL276C
• C-G: ALA138C, ARG159G, ASN162G, ASN226C, ASN326C, ASN328C, ASP114G, ASP97G, GLN119G, GLN225C, HIS325C, LEU52G, LYS100G, LYS137C, LYS224C, LYS227C, PHE4C, PRO139C, SER116G, SER117G, SER160G, SER99G, THR51G, TYR180C, VAL284C
• E-F: ALA128E, ALA188E, ALA191F, ALA269E, ALA275E, ALA63E, ARG172E, ARG204F, ARG212F, ARG216E, ARG239E, ARG261E, ASN165F, ASN211F, ASN263E, ASN277E, ASN346E, ASN351E, ASN64E, ASP107E, ASP171F, ASP207F, ASP272E, ASP294E, ASP337E, ASP40E, CYS106E, CYS173E, CYS188F, GLN187F, GLN209F, GLN214E, GLN271E, GLU171E, GLU189E, GLU196F, GLU201F, GLU202F, GLU206F, GLU237E, GLU343E, GLY159F, GLY169F, GLY238E, GLY341E, GLY43E, GLY87E, HIS186F, HIS213E, HIS215E, HIS260E, HIS342E, ILE162F, ILE182F, ILE189F, ILE236E, ILE273E, ILE42E, LEU200F, LEU203F, LEU205F, LEU90E, LYS108E, LYS131E, LYS163F, LYS185F, LYS198F, LYS213F, LYS258E, LYS340E, MET173F, MET192F, PHE164F, PHE344E, PRO129E, PRO166F, PRO167F, PRO270E, PRO317E, PRO347E, PRO88E, SER105E, SER183F, SER197F, SER199F, SER235E, SER262E, SER268E, SER293E, SER319E, SER335E, SER339E, SER41E, SER61E, THR160F, THR161F, THR168F, THR170F, THR172F, THR180F, THR184F, THR190F, THR86E, TRP149E, TRP338E, TRP62E, TYR174E, TYR195F, TYR208F, TYR274E, TYR336E, TYR345E, VAL130E, VAL276E
• E-G: ALA304E, ALA304G, ALA358E, ALA358G, ALA359E, ALA359G, ARG239E, ARG239G, ARG305E, ARG305G, ARG356E, ARG356G, ARG365E, ARG365G, ASN27E, ASN27G, ASN328G, ASN357E, ASN357G, ASP301E, ASP301G, ASP303E, ASP303G, ASP31E, ASP31G, ASP73E, ASP73G, CYS259E, CYS259G, GLN76E, GLN76G, GLU312E, GLU312G, GLU33E, GLU33G, GLU360E, GLU360G, GLU361E, GLU361G, GLY11E, GLY11G, GLY14E, GLY14G, GLY75E, GLY75G, GLY9E, GLY9G, HIS285E, HIS285G, ILE242E, ILE242G, ILE32E, ILE32G, LEU288E, LEU288G, LEU308E, LEU308G, LEU355E, LEU355G, LEU362E, LEU362G, LYS258E, LYS258G, LYS302E, LYS302G, LYS307E, LYS307G, LYS309E, LYS309G, LYS30E, LYS30G, LYS363E, LYS363G, MET17E, MET17G, MET29E, MET29G, PHE10E, PHE10G, PHE18E, PHE18G, PHE255E, PHE255G, PHE257E, PHE257G, PHE299E, PHE299G, PHE354E, PHE354G, PRO364E, PRO364G, SER13E, SER13G, SER16E, SER16G, SER74E, SER74G, SER8E, SER8G, THR12E, THR12G, THR15E, THR15G, THR256E, THR256G, THR287E, THR287G, THR290E, THR290G, THR306E, THR306G, THR6E, THR7E, TRP300E, TRP300G, VAL240E, VAL240G
• E-H: MET173H, PHE18E
• F-G: MET173F, MET17G, PHE18G
• G-H: ALA128G, ALA188G, ALA191H, ALA269G, ALA275G, ALA63G, ARG172G, ARG204H, ARG212H, ARG216G, ARG239G, ARG261G, ASN165H, ASN211H, ASN263G, ASN266G, ASN277G, ASN346G, ASN351G, ASN64G, ASP107G, ASP171H, ASP207H, ASP272G, ASP294G, ASP337G, ASP40G, CYS106G, CYS173G, CYS188H, GLN187H, GLN209H, GLN214G, GLN271G, GLU171G, GLU189G, GLU196H, GLU201H, GLU202H, GLU206H, GLU237G, GLU343G, GLY159H, GLY169H, GLY238G, GLY264G, GLY341G, GLY43G, GLY87G, HIS186H, HIS213G, HIS215G, HIS260G, HIS342G, ILE162H, ILE182H, ILE189H, ILE236G, ILE273G, ILE42G, LEU200H, LEU203H, LEU205H, LEU90G, LYS108G, LYS131G, LYS163H, LYS185H, LYS198H, LYS213H, LYS258G, LYS340G, MET173H, MET192H, PHE164H, PHE344G, PRO129G, PRO166H, PRO167H, PRO270G, PRO317G, PRO347G, PRO88G, SER105G, SER183H, SER197H, SER199H, SER235G, SER262G, SER268G, SER293G, SER319G, SER335G, SER339G, SER41G, SER61G, THR160H, THR161H, THR168H, THR170H, THR172H, THR180H, THR184H, THR190H, THR265G, THR267G, THR86G, TRP149G, TRP338G, TRP62G, TYR174G, TYR195H, TYR208H, TYR274G, TYR336G, TYR345G, VAL130G, VAL276G, VAL89G