3IPD

helical extension of the neuronal snare complex into the membrane, spacegroup i 21 21 21

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 144
  • Norm. En. per Res.: -3.5253
• Hub Node: A(5)

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	-16.0444	-20.8235	-466.107	-502.9749	174	80	27	22353	3	35	62
A-C	0.0	0.0	-11.3187	-11.3187	41	0	0	1074	0	2	1
A-D	-25.93	-89.3014	-212.923	-328.1544	107	12	13	10562	4	41	30
A-G	-2.9128	-11.5167	-53.954	-68.3834	26	6	0	2634	0	10	6
A-H	-4.1672	-16.4552	-43.6196	-64.242	28	4	0	1567	1	8	4
B-C	-8.4441	-88.653	-299.151	-396.2481	138	12	14	13543	6	52	66
B-D	0.0	0.0	-24.1244	-24.1244	48	1	0	1823	0	5	8
B-G	0.0	0.0	-0.0011	-0.0011	2	0	0	3	0	0	2
C-D	-11.1623	-116.8626	-264.38	-392.4049	119	23	7	12393	8	36	38
C-E	0.0	0.0	-0.0458	-0.0458	3	0	0	35	0	1	1
C-H	0.0	-12.7352	-6.9981	-19.7332	6	1	0	200	1	3	4
D-E	0.0	-5.6993	-9.1994	-14.8987	16	7	0	519	0	6	3
D-G	-3.2943	9.4115	-15.7657	-9.6485	15	2	0	520	2	5	9
D-H	0.0	37.7323	-38.104	-0.3716	30	7	0	2285	0	5	6
E-F	-33.4415	-40.7238	-536.064	-610.2293	175	92	32	23085	3	37	64
E-G	0.0	0.0	-14.557	-14.557	44	0	0	1259	0	3	2
E-H	-14.7524	-91.4339	-246.45	-352.6363	112	23	14	11886	6	44	31
F-G	-15.448	-96.7792	-395.419	-507.6462	144	36	15	16226	8	55	71
F-H	0.0	-37.2236	-31.9304	-69.154	55	2	0	2315	2	10	10
G-H	-21.9614	-120.2595	-282.361	-424.5818	121	38	7	12802	7	37	40

Interface residues

• A-B: ALA104A, ALA220B, ALA240B, ALA247B, ALA254B, ALA261B, ALA280B, ALA37A, ALA67A, ALA69A, ALA72A, ALA74A, ALA81A, ALA82A, ARG198B, ARG210B, ARG232B, ARG246B, ARG262B, ARG263B, ARG30A, ARG31A, ARG47A, ARG56A, ARG66A, ARG86A, ASN207B, ASN236B, ASN49A, ASN92A, ASP214B, ASP218B, ASP231B, ASP242B, ASP250B, ASP40A, ASP44A, ASP51A, ASP57A, ASP64A, ASP65A, ASP68A, CYS103A, CYS271B, CYS272B, GLN226B, GLN258B, GLN33A, GLN34A, GLN36A, GLN38A, GLN58A, GLN71A, GLN76A, GLU194B, GLU201B, GLU206B, GLU211B, GLU224B, GLU228B, GLU234B, GLU238B, GLU245B, GLU41A, GLU55A, GLU62A, GLU78A, GLY100A, GLY227B, GLY26A, GLY276B, GLY73A, HIS199B, HIS213B, HIS239B, HIS28A, ILE102A, ILE105A, ILE106A, ILE108A, ILE109A, ILE110A, ILE202B, ILE203B, ILE209B, ILE230B, ILE233B, ILE266B, ILE268B, ILE269B, ILE270B, ILE274B, ILE278B, ILE279B, ILE283B, ILE45A, ILE97A, ILE98A, LEU107A, LEU205B, LEU212B, LEU222B, LEU275B, LEU32A, LEU54A, LEU60A, LEU63A, LEU70A, LEU84A, LEU93A, LEU99A, LYS204B, LYS252B, LYS253B, LYS256B, LYS260B, LYS264B, LYS265B, LYS52A, LYS59A, LYS83A, LYS85A, LYS87A, LYS91A, LYS94A, MET215B, MET217B, MET219B, MET221B, MET229B, MET267B, MET29A, MET46A, MET95A, MET96A, PHE216B, PHE77A, SER200B, SER208B, SER225B, SER249B, SER259B, SER27A, SER281B, SER61A, SER75A, SER80A, THR197B, THR251B, THR282B, THR35A, THR79A, TRP89A, TRP90A, TYR113A, TYR235B, TYR243B, TYR257B, TYR88A, VAL101A, VAL112A, VAL223B, VAL237B, VAL241B, VAL244B, VAL248B, VAL255B, VAL273B, VAL39A, VAL42A, VAL43A, VAL48A, VAL50A, VAL53A
• A-C: ALA67A, ALA74A, ALA74C, ALA81A, ARG56A, ARG66A, ASN49A, GLN53C, GLN56C, GLN71A, GLU61C, GLU75C, GLY43C, GLY54C, GLY73A, ILE67C, LEU32A, LEU47C, LEU50C, LEU57C, LEU60A, LEU63A, LEU70A, LEU78C, LEU81C, LEU84A, MET32C, MET46A, MET49C, MET64C, MET71C, PHE77A, SER39C, THR35A, THR46C, TYR88A, VAL36C, VAL39A, VAL42A, VAL53A, VAL60C
• A-D: ALA164D, ALA185D, ALA195D, ALA199D, ALA37A, ALA67A, ALA69A, ALA72A, ALA74A, ALA81A, ARG161D, ARG176D, ARG180D, ARG191D, ARG198D, ARG31A, ARG56A, ARG66A, ASN144D, ASN159D, ASN169D, ASN175D, ASN188D, ASN196D, ASN49A, ASP147D, ASP166D, ASP172D, ASP179D, ASP186D, ASP193D, ASP40A, ASP51A, ASP57A, ASP64A, ASP65A, ASP68A, GLN174D, GLN177D, GLN197D, GLN34A, GLN36A, GLN38A, GLN58A, GLN71A, GLN76A, GLU143D, GLU148D, GLU151D, GLU170D, GLU183D, GLU194D, GLU41A, GLU55A, GLU62A, GLU78A, GLY155D, GLY158D, GLY168D, GLY73A, HIS162D, HIS28A, ILE156D, ILE157D, ILE171D, ILE178D, ILE181D, ILE192D, ILE45A, LEU150D, LEU160D, LEU165D, LEU32A, LEU54A, LEU60A, LEU63A, LEU70A, LEU84A, LYS184D, LYS189D, LYS52A, LYS59A, LYS83A, LYS87A, MET146D, MET163D, MET167D, MET182D, MET46A, PHE77A, SER154D, SER187D, SER61A, SER75A, SER80A, THR173D, THR190D, THR200D, THR35A, THR79A, VAL153D, VAL39A, VAL42A, VAL43A, VAL48A, VAL50A, VAL53A
• A-G: ARG30A, ARG31A, ARG45G, ASP41G, ASP51G, GLN33A, GLN34A, GLN38A, GLN53G, GLU52G, GLU55G, GLY26A, GLY43G, GLY54G, HIS28A, ILE44G, LEU32A, LEU47G, LEU50G, LYS40G, MET29A, MET49G, SER27A, THR35A, THR46G, VAL48G
• A-H: ALA164H, ALA37A, ARG161H, ARG30A, ARG31A, ASN159H, ASP166H, ASP40A, GLN174H, GLN33A, GLN34A, GLN36A, GLN38A, GLU170H, GLU41A, GLY155H, GLY158H, GLY168H, HIS162H, ILE156H, ILE45A, LEU160H, LEU165H, MET163H, MET167H, THR35A, VAL39A, VAL42A
• B-C: ALA18C, ALA191B, ALA220B, ALA22C, ALA240B, ALA247B, ALA254B, ALA42C, ALA74C, ARG16C, ARG17C, ARG198B, ARG210B, ARG232B, ARG262B, ARG30C, ARG31C, ARG45C, ARG59C, ASN207B, ASN236B, ASN65C, ASN68C, ASN77C, ASP19C, ASP214B, ASP218B, ASP231B, ASP23C, ASP242B, ASP250B, ASP41C, ASP51C, ASP58C, ASP70C, ASP80C, GLN15C, GLN190B, GLN20C, GLN226B, GLN258B, GLN34C, GLN53C, GLN56C, GLN69C, GLU196B, GLU201B, GLU206B, GLU211B, GLU224B, GLU228B, GLU234B, GLU238B, GLU245B, GLU24C, GLU27C, GLU37C, GLU38C, GLU52C, GLU55C, GLU61C, GLU62C, GLU73C, GLU75C, GLY227B, GLY43C, GLY54C, GLY63C, GLY82C, HIS199B, HIS213B, HIS239B, HIS66C, ILE195B, ILE202B, ILE203B, ILE209B, ILE230B, ILE233B, ILE44C, ILE67C, LEU11C, LEU192B, LEU205B, LEU212B, LEU21C, LEU222B, LEU26C, LEU33C, LEU35C, LEU47C, LEU50C, LEU57C, LEU78C, LEU81C, LYS189B, LYS252B, LYS253B, LYS256B, LYS40C, LYS72C, LYS76C, LYS79C, MET14C, MET215B, MET217B, MET219B, MET221B, MET229B, MET32C, MET49C, MET64C, MET71C, PHE216B, SER193B, SER200B, SER208B, SER225B, SER249B, SER259B, SER25C, SER28C, SER39C, THR197B, THR251B, THR29C, THR46C, TYR235B, TYR243B, VAL223B, VAL237B, VAL241B, VAL244B, VAL248B, VAL255B, VAL36C, VAL48C, VAL60C
• B-D: ALA164D, ALA185D, ALA220B, ALA240B, ALA247B, ARG161D, ARG198B, ASN159D, ASN188D, ASP147D, GLN174D, GLN226B, GLU143D, GLU206B, GLY168D, HIS162D, HIS199B, HIS213B, ILE156D, ILE157D, ILE171D, ILE178D, ILE181D, ILE192D, ILE195B, ILE202B, ILE209B, ILE230B, ILE233B, LEU150D, LEU160D, LEU165D, LEU205B, LEU212B, MET146D, MET163D, MET167D, MET182D, MET215B, MET219B, PHE216B, SER154D, TYR243B, VAL153D, VAL223B, VAL237B, VAL241B, VAL244B
• B-G: ARG198B, VAL48G
• C-D: ALA141D, ALA164D, ALA185D, ALA18C, ALA195D, ALA199D, ALA22C, ALA42C, ALA74C, ARG142D, ARG180D, ARG191D, ARG198D, ARG30C, ARG31C, ARG45C, ARG59C, ASN144D, ASN149D, ASN159D, ASN169D, ASN175D, ASN188D, ASN196D, ASN65C, ASN68C, ASP147D, ASP166D, ASP172D, ASP186D, ASP193D, ASP19C, ASP23C, ASP41C, ASP51C, ASP58C, ASP70C, GLN152D, GLN174D, GLN177D, GLN20C, GLN34C, GLN53C, GLN56C, GLN69C, GLU143D, GLU145D, GLU148D, GLU151D, GLU170D, GLU183D, GLU194D, GLU24C, GLU27C, GLU37C, GLU38C, GLU52C, GLU55C, GLU61C, GLU62C, GLU73C, GLU75C, GLY155D, GLY158D, GLY168D, GLY43C, GLY54C, GLY63C, GLY82C, HIS139D, HIS162D, HIS66C, ILE156D, ILE157D, ILE171D, ILE178D, ILE181D, ILE192D, ILE44C, ILE67C, LEU150D, LEU160D, LEU165D, LEU21C, LEU26C, LEU33C, LEU35C, LEU47C, LEU50C, LEU57C, LEU78C, LYS184D, LYS189D, LYS40C, LYS72C, LYS76C, LYS79C, MET146D, MET163D, MET167D, MET182D, MET32C, MET49C, MET64C, MET71C, SER138D, SER154D, SER187D, SER25C, SER28C, SER39C, THR173D, THR190D, THR29C, THR46C, VAL153D, VAL36C, VAL48C, VAL60C
• C-E: ARG31E, ILE44C, LYS40C
• C-H: ASP147H, GLN152H, GLU148H, GLU151H, ILE44C, LYS40C
• D-E: ALA37E, ARG161D, ARG30E, ARG31E, ASN159D, ASP166D, GLN33E, GLN34E, GLN36E, GLN38E, GLU41E, GLY158D, HIS162D, LEU165D, MET163D, THR35E
• D-G: ASP147D, ASP41G, GLN152D, GLU148D, GLU151D, GLU37G, GLU38G, GLY155D, ILE44G, LEU150D, LEU33G, LYS40G, SER154D, VAL153D, VAL36G
• D-H: ARG161D, ARG161H, ASN159D, ASN159H, GLN152D, GLN152H, GLU148D, GLU151D, GLU151H, GLY155D, GLY155H, GLY158D, GLY158H, HIS162D, HIS162H, ILE156D, ILE156H, ILE157D, ILE157H, LEU150H, LEU160D, LEU160H, LEU165D, LEU165H, MET163D, MET163H, SER154D, SER154H, VAL153D, VAL153H
• E-F: ALA104E, ALA220F, ALA240F, ALA247F, ALA254F, ALA261F, ALA37E, ALA67E, ALA69E, ALA72E, ALA74E, ALA81E, ALA82E, ARG198F, ARG210F, ARG232F, ARG246F, ARG262F, ARG263F, ARG30E, ARG31E, ARG47E, ARG56E, ARG66E, ARG86E, ASN207F, ASN236F, ASN49E, ASN92E, ASP214F, ASP218F, ASP231F, ASP242F, ASP250F, ASP40E, ASP44E, ASP51E, ASP57E, ASP64E, ASP65E, ASP68E, CYS103E, CYS271F, CYS272F, GLN226F, GLN258F, GLN33E, GLN34E, GLN36E, GLN38E, GLN58E, GLN71E, GLN76E, GLU194F, GLU201F, GLU206F, GLU211F, GLU224F, GLU228F, GLU234F, GLU238F, GLU245F, GLU41E, GLU55E, GLU62E, GLU78E, GLY100E, GLY227F, GLY26E, GLY276F, GLY73E, HIS199F, HIS213F, HIS239F, HIS28E, ILE102E, ILE105E, ILE106E, ILE108E, ILE109E, ILE110E, ILE202F, ILE203F, ILE209F, ILE230F, ILE233F, ILE266F, ILE268F, ILE269F, ILE270F, ILE274F, ILE278F, ILE279F, ILE283F, ILE286F, ILE45E, ILE97E, ILE98E, LEU107E, LEU205F, LEU212F, LEU222F, LEU275F, LEU32E, LEU54E, LEU60E, LEU63E, LEU70E, LEU84E, LEU93E, LEU99E, LYS204F, LYS252F, LYS253F, LYS256F, LYS260F, LYS264F, LYS265F, LYS52E, LYS59E, LYS83E, LYS85E, LYS87E, LYS91E, LYS94E, MET215F, MET217F, MET219F, MET221F, MET229F, MET267F, MET29E, MET46E, MET95E, MET96E, PHE216F, PHE77E, SER200F, SER208F, SER225F, SER249F, SER259F, SER27E, SER281F, SER61E, SER75E, SER80E, THR116E, THR197F, THR251F, THR282F, THR35E, THR79E, TRP89E, TRP90E, TYR113E, TYR235F, TYR243F, TYR257F, TYR88E, VAL101E, VAL112E, VAL223F, VAL237F, VAL241F, VAL244F, VAL248F, VAL255F, VAL273F, VAL39E, VAL42E, VAL43E, VAL48E, VAL50E, VAL53E
• E-G: ALA42G, ALA67E, ALA74E, ALA74G, ALA81E, ARG56E, ARG66E, ASN49E, GLN53G, GLN56G, GLN71E, GLU61G, GLU75G, GLY43G, GLY54G, GLY73E, ILE67G, LEU32E, LEU47G, LEU50G, LEU57G, LEU60E, LEU63E, LEU70E, LEU78G, LEU81G, LEU84E, LYS85E, MET32G, MET46E, MET49G, MET64G, MET71G, PHE77E, SER39G, SER80E, THR35E, THR46G, TYR88E, VAL36G, VAL39E, VAL42E, VAL53E, VAL60G
• E-H: ALA164H, ALA185H, ALA195H, ALA199H, ALA37E, ALA67E, ALA69E, ALA72E, ALA74E, ALA81E, ARG161H, ARG176H, ARG180H, ARG191H, ARG198H, ARG31E, ARG47E, ARG56E, ARG66E, ASN144H, ASN159H, ASN169H, ASN175H, ASN188H, ASN196H, ASN49E, ASP147H, ASP166H, ASP172H, ASP179H, ASP186H, ASP193H, ASP40E, ASP44E, ASP51E, ASP57E, ASP64E, ASP65E, ASP68E, GLN152H, GLN174H, GLN177H, GLN197H, GLN34E, GLN36E, GLN38E, GLN58E, GLN71E, GLN76E, GLU143H, GLU148H, GLU151H, GLU170H, GLU183H, GLU194H, GLU41E, GLU55E, GLU62E, GLU78E, GLY155H, GLY158H, GLY168H, GLY26E, GLY73E, HIS162H, HIS28E, ILE156H, ILE157H, ILE171H, ILE178H, ILE181H, ILE192H, ILE45E, LEU150H, LEU160H, LEU165H, LEU32E, LEU54E, LEU60E, LEU63E, LEU70E, LEU84E, LYS184H, LYS189H, LYS52E, LYS59E, LYS83E, LYS87E, MET146H, MET163H, MET167H, MET182H, MET46E, PHE77E, SER154H, SER187H, SER27E, SER61E, SER75E, SER80E, THR173H, THR190H, THR200H, THR35E, THR79E, VAL153H, VAL39E, VAL42E, VAL43E, VAL48E, VAL50E, VAL53E
• F-G: ALA18G, ALA191F, ALA220F, ALA22G, ALA240F, ALA247F, ALA254F, ALA42G, ALA74G, ARG16G, ARG17G, ARG198F, ARG210F, ARG232F, ARG246F, ARG262F, ARG30G, ARG31G, ARG45G, ARG59G, ASN207F, ASN236F, ASN65G, ASN68G, ASN77G, ASP19G, ASP214F, ASP218F, ASP231F, ASP23G, ASP242F, ASP250F, ASP41G, ASP51G, ASP58G, ASP70G, ASP80G, GLN15G, GLN190F, GLN20G, GLN226F, GLN258F, GLN34G, GLN53G, GLN56G, GLN69G, GLU10G, GLU13G, GLU194F, GLU196F, GLU201F, GLU206F, GLU211F, GLU224F, GLU228F, GLU234F, GLU238F, GLU245F, GLU24G, GLU27G, GLU37G, GLU38G, GLU52G, GLU55G, GLU61G, GLU62G, GLU73G, GLU75G, GLY227F, GLY43G, GLY54G, GLY63G, GLY82G, HIS199F, HIS213F, HIS239F, HIS66G, ILE195F, ILE202F, ILE203F, ILE209F, ILE230F, ILE233F, ILE44G, ILE67G, LEU11G, LEU192F, LEU205F, LEU212F, LEU21G, LEU222F, LEU26G, LEU33G, LEU35G, LEU47G, LEU50G, LEU57G, LEU78G, LEU81G, LYS189F, LYS204F, LYS252F, LYS253F, LYS256F, LYS40G, LYS72G, LYS76G, LYS79G, MET14G, MET215F, MET217F, MET219F, MET221F, MET229F, MET32G, MET49G, MET64G, MET71G, PHE216F, SER193F, SER200F, SER208F, SER225F, SER249F, SER259F, SER25G, SER28G, SER39G, THR197F, THR251F, THR29G, THR46G, TYR235F, TYR243F, TYR257F, VAL223F, VAL237F, VAL241F, VAL244F, VAL248F, VAL255F, VAL36G, VAL48G, VAL60G
• F-H: ALA164H, ALA185H, ALA195H, ALA220F, ALA240F, ALA247F, ARG142H, ARG161H, ARG191H, ARG198F, ASN159H, ASN188H, ASP147H, GLN174H, GLN226F, GLU143H, GLU194F, GLU206F, GLY168H, HIS139H, HIS162H, HIS199F, HIS213F, ILE156H, ILE157H, ILE171H, ILE178H, ILE181H, ILE192H, ILE195F, ILE202F, ILE209F, ILE230F, ILE233F, LEU150H, LEU160H, LEU165H, LEU205F, LEU212F, MET146H, MET163H, MET167H, MET182H, MET215F, MET219F, PHE216F, SER154H, SER208F, THR251F, TYR243F, VAL153H, VAL223F, VAL237F, VAL241F, VAL244F
• G-H: ALA141H, ALA164H, ALA185H, ALA18G, ALA195H, ALA199H, ALA22G, ALA42G, ALA74G, ARG142H, ARG180H, ARG191H, ARG198H, ARG30G, ARG31G, ARG45G, ARG59G, ASN144H, ASN149H, ASN159H, ASN169H, ASN175H, ASN188H, ASN196H, ASN65G, ASN68G, ASP147H, ASP166H, ASP172H, ASP179H, ASP186H, ASP193H, ASP19G, ASP23G, ASP41G, ASP51G, ASP58G, ASP70G, GLN152H, GLN174H, GLN177H, GLN197H, GLN20G, GLN34G, GLN53G, GLN56G, GLN69G, GLU143H, GLU145H, GLU148H, GLU151H, GLU170H, GLU183H, GLU194H, GLU24G, GLU27G, GLU37G, GLU38G, GLU52G, GLU55G, GLU61G, GLU62G, GLU73G, GLU75G, GLY155H, GLY158H, GLY168H, GLY43G, GLY54G, GLY63G, GLY82G, HIS139H, HIS162H, HIS66G, ILE156H, ILE157H, ILE171H, ILE178H, ILE181H, ILE192H, ILE44G, ILE67G, LEU150H, LEU160H, LEU165H, LEU21G, LEU26G, LEU33G, LEU35G, LEU47G, LEU50G, LEU57G, LEU78G, LYS184H, LYS189H, LYS40G, LYS72G, LYS76G, LYS79G, MET146H, MET163H, MET167H, MET182H, MET32G, MET49G, MET64G, MET71G, SER138H, SER154H, SER187H, SER25G, SER28G, SER39G, THR173H, THR190H, THR29G, THR46G, VAL153H, VAL36G, VAL48G, VAL60G