2NPS

crystal structure of the early endosomal snare complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 137
  • Norm. En. per Res.: -4.6807
• 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	-30.8471	51.6973	-439.565	-418.7148	131	24	23	18271	0	31	47
A-C	0.0	-22.2958	-31.5051	-53.8009	57	0	0	2039	1	4	15
A-D	-38.8147	-41.71	-306.814	-387.3387	123	37	17	14394	2	41	30
B-C	-43.6177	-190.4809	-407.151	-641.2497	137	21	15	16320	10	55	45
B-D	0.0	0.0	-41.1487	-41.1487	68	0	1	3308	0	8	4
C-D	-28.0451	-160.8918	-403.76	-592.6969	128	34	19	16603	7	35	38

Interface residues

• A-B: ALA187B, ALA193B, ALA206B, ALA221B, ALA233B, ALA240B, ALA241B, ALA96A, ALA98A, ARG102A, ARG107A, ARG108A, ARG184B, ARG232B, ARG239B, ARG50A, ARG50A5, ARG78A, ARG81A, ASN101A, ASN199B, ASN222B, ASN51A, ASN59A, ASN71A, ASN95A, ASP194B, ASP197B, ASP204B, ASP211B, ASP214B, ASP217B, ASP235B, ASP52A, ASP62A, ASP66A, ASP83A, ASP87A, ASP94A, CB6.2559265.37658, GLN105A, GLN109A, GLN189B, GLN190B, GLN200B, GLN212B, GLN236B, GLN238B, GLN244B, GLN58A, GLN60A, GLN69A, GLN86A, GLU185B, GLU192B, GLU220B, GLU224B, GLU227B, GLU231B, GLU63A, GLU70A, GLU77A, GLU80A, GLU84A, GLU90A, GLY181B, GLY213B, GLY79A, HIS210B, HIS229B, HIS56A, ILE188B, ILE195B, ILE201B, ILE209B, ILE216B, ILE219B, ILE54A, ILE65A, ILE72A, ILE76A, LEU106A, LEU191B, LEU196B, LEU205B, LEU215B, LEU237B, LEU82A, LEU85A, LEU92A, LYS104A, LYS203B, LYS245B, LYS246B, LYS53A, LYS55A, LYS74A, LYS88A, MET110A, MET183B, MET207B, MET208B, MET68A, PHE202B, PHE99A, SER100A, SER103A, SER218B, SER225B, SER226B, SER234B, SER247B, SER89A, SER91A, SER93A, THR186B, THR73A, THR97A, TRP111A, TRP112A, TYR242B, TYR243B, VAL198B, VAL223B, VAL228B, VAL230B, VAL57A, VAL61A, VAL64A, VAL67A, VAL75A
• A-C: ALA139C, ALA163C, ALA96A, ARG107A, ARG157C, ARG159C, ARG164C, ARG166C, ARG50A, ARG78A, ASN152C, ASN173C, ASN71A, ASN95A, ASP156C, ASP171C, GLN109A, GLY146C, ILE145C, ILE160C, ILE180C, ILE188C, ILE54A, LEU106A, LEU125C, LEU132C, LEU150C, LEU153C, LEU167C, LEU174C, LEU181C, LEU185C, LEU82A, LEU85A, LEU92A, LYS176C, LYS53A, LYS88A, MET110A, MET149C, MET184C, MET68A, PHE99A, SER103A, SER128C, SER129C, SER154C, SER177C, SER178C, SER89A, SER93A, THR142C, THR170C, VAL57A, VAL61A, VAL64A, VAL75A
• A-D: ALA198D, ALA223D, ALA96A, ALA98A, ARG102A, ARG107A, ARG189D, ARG214D, ARG50A, ARG50A5, ARG78A, ARG81A, ASN101A, ASN185D, ASN51A, ASN59A, ASN71A, ASN95A, ASP170D, ASP203D, ASP216D, ASP231D, ASP52A, ASP62A, ASP66A, ASP83A, ASP87A, ASP94A, CB7.97209-54.69122, GLN105A, GLN109A, GLN172D, GLN188D, GLN197D, GLN212D, GLN58A, GLN60A, GLN69A, GLN86A, GLU171D, GLU174D, GLU193D, GLU195D, GLU196D, GLU202D, GLU207D, GLU209D, GLU63A, GLU70A, GLU77A, GLU80A, GLU84A, GLU90A, GLY178D, GLY181D, GLY191D, GLY192D, GLY79A, HIS206D, HIS227D, HIS56A, ILE180D, ILE190D, ILE54A, ILE65A, ILE72A, ILE76A, LEU106A, LEU173D, LEU183D, LEU194D, LEU201D, LEU208D, LEU215D, LEU222D, LEU82A, LEU85A, LEU92A, LYS104A, LYS184D, LYS220D, LYS221D, LYS224D, LYS53A, LYS55A, LYS74A, LYS88A, MET110A, MET186D, MET200D, MET219D, MET228D, MET68A, PHE204D, PHE99A, SER100A, SER103A, SER177D, SER179D, SER187D, SER205D, SER210D, SER213D, SER226D, SER230D, SER89A, SER91A, SER93A, THR211D, THR229D, THR73A, THR97A, TRP112A, VAL176D, VAL182D, VAL199D, VAL218D, VAL225D, VAL57A, VAL61A, VAL64A, VAL67A, VAL75A
• B-C: ALA134C, ALA139C, ALA163C, ALA172C, ALA187B, ALA193B, ALA206B, ALA221B, ALA233B, ALA240B, ALA241B, ARG124C, ARG127C, ARG130C, ARG131C, ARG157C, ARG159C, ARG162C, ARG164C, ARG166C, ARG168C, ARG179C, ARG184B, ARG186C, ARG187C, ARG232B, ARG239B, ARG248B, ASN121C, ASN152C, ASN173C, ASN199B, ASN222B, ASP120C, ASP156C, ASP171C, ASP194B, ASP197B, ASP204B, ASP211B, ASP214B, ASP217B, ASP235B, GLN137C, GLN144C, GLN147C, GLN189B, GLN190B, GLN190C, GLN200B, GLN212B, GLN236B, GLN238B, GLN244B, GLU123C, GLU133C, GLU141C, GLU143C, GLU148C, GLU151C, GLU158C, GLU165C, GLU169C, GLU185B, GLU192B, GLU220B, GLU224B, GLU227B, GLU231B, GLY135C, GLY146C, GLY175C, GLY181B, GLY183C, GLY213B, HIS117C, HIS155C, HIS210B, HIS229B, ILE138C, ILE145C, ILE160C, ILE180C, ILE188B, ILE188C, ILE189C, ILE195B, ILE201B, ILE209B, ILE216B, ILE219B, LEU125C, LEU132C, LEU150C, LEU153C, LEU167C, LEU174C, LEU181C, LEU185C, LEU191B, LEU196B, LEU205B, LEU215B, LEU237B, LYS176C, LYS203B, LYS245B, LYS246B, MET149C, MET183B, MET184C, MET207B, MET208B, PHE202B, SER128C, SER129C, SER154C, SER177C, SER178C, SER182B, SER218B, SER225B, SER226B, SER234B, SER247B, THR142C, THR170C, THR182C, THR186B, TYR136C, TYR242B, TYR243B, VAL140C, VAL198B, VAL223B, VAL228B, VAL230B
• B-D: ALA187B, ALA206B, ALA233B, ALA240B, ALA241B, ARG184B, ARG214D, ASN185D, ASN199B, ASN222B, ASP170D, ASP194B, GLN172D, GLN188D, GLN197D, GLN212B, GLN212D, GLN236B, GLN244B, GLU171D, GLU192B, GLU193D, GLU220B, GLU224B, GLU227B, GLY191D, HIS229B, ILE180D, ILE188B, ILE190D, ILE195B, ILE209B, ILE216B, ILE219B, LEU173D, LEU183D, LEU191B, LEU194D, LEU201D, LEU205B, LEU208D, LEU215D, LEU222D, LEU237B, LYS184D, LYS221D, MET186D, MET208B, MET219D, MET228D, PHE202B, PHE204D, SER177D, SER179D, SER187D, SER226B, SER226D, SER230D, SER234B, THR211D, THR229D, VAL176D, VAL182D, VAL198B, VAL218D, VAL223B, VAL225D, VAL230B
• C-D: ALA134C, ALA139C, ALA163C, ALA172C, ALA198D, ALA223D, ARG127C, ARG130C, ARG131C, ARG157C, ARG159C, ARG162C, ARG164C, ARG166C, ARG168C, ARG179C, ARG186C, ARG187C, ARG189D, ARG214D, ARG232D, ASN152C, ASN173C, ASN185D, ASN217D, ASP156C, ASP170D, ASP171C, ASP203D, ASP216D, ASP231D, GLN137C, GLN144C, GLN147C, GLN161C, GLN172D, GLN188D, GLN190C, GLN197D, GLN212D, GLU126C, GLU133C, GLU141C, GLU143C, GLU148C, GLU151C, GLU158C, GLU165C, GLU171D, GLU174D, GLU193D, GLU195D, GLU196D, GLU202D, GLU207D, GLU209D, GLY135C, GLY146C, GLY175C, GLY178D, GLY181D, GLY183C, GLY191D, GLY192D, HIS155C, HIS206D, HIS227D, ILE138C, ILE145C, ILE160C, ILE180C, ILE180D, ILE188C, ILE189C, ILE190D, LEU125C, LEU132C, LEU150C, LEU153C, LEU167C, LEU173D, LEU174C, LEU175D, LEU181C, LEU183D, LEU185C, LEU194D, LEU201D, LEU208D, LEU215D, LEU222D, LYS176C, LYS184D, LYS220D, LYS221D, LYS224D, MET149C, MET184C, MET186D, MET200D, MET219D, MET228D, PHE204D, SER128C, SER129C, SER154C, SER177C, SER177D, SER178C, SER179D, SER187D, SER205D, SER210D, SER213D, SER226D, SER230D, THR142C, THR170C, THR182C, THR211D, THR229D, TYR136C, VAL140C, VAL176D, VAL182D, VAL199D, VAL218D, VAL225D