2VME

structure of the wild-type discoidin ii from dictyostelium discoideum

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 202
  • Norm. En. per Res.: -3.5848
• Hub Node: B(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	-158.634	26.5144	-552.466	-684.5856	199	22	11	21104	1	48	44
A-C	-169.0343	29.2798	-523.161	-662.9155	202	25	11	20007	1	49	45
B-C	-185.3318	19.0479	-557.836	-724.1199	202	25	10	21607	1	48	45
B-D	0.0	0.0	-0.0186	-0.0186	2	0	0	4	0	0	0
B-F	0.0	3.7155	-0.3342	3.3813	6	0	0	44	0	4	8
C-D	-52.8539	0.0	-85.1904	-138.0443	58	5	0	3677	0	11	13
C-F	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	0	0
D-E	-178.0836	21.8239	-559.374	-715.6337	203	25	11	21503	1	49	45
D-F	-166.6292	17.4397	-543.708	-692.8975	200	32	11	20263	1	48	44
E-F	-151.7764	26.3241	-555.137	-680.5894	200	21	11	21333	1	48	44

Interface residues

• A-B: ALA12A, ALA135B, ALA14A, ALA14B, ALA153A, ALA210A, ALA242A, ALA252A, ALA252B, ALA26A, ALA26B, ALA5A, ALA65B, ARG132A, ARG132B, ARG19B, ARG218B, ARG45A, ASN101B, ASN13A, ASN161A, ASN161B, ASN177A, ASN17A, ASN17B, ASN214A, ASN214B, ASN241A, ASN241B, ASN256A, ASN257A, ASN25A, ASN25B, ASN32A, ASN39A, ASN99B, ASP209A, ASP213A, ASP213B, ASP23B, ASP245A, ASP249A, ASP249B, ASP27A, ASP27B, ASP42A, ASP47A, ASP68A, ASP68B, ASP98B, CYS10A, CYS205A, CYS205B, GLN165A, GLN216B, GLN61B, GLU150A, GLU168A, GLU194A, GLU220B, GLU254A, GLU254B, GLU50A, GLY167A, GLY204A, GLY204B, GLY215A, GLY215B, GLY221B, GLY29A, GLY29B, GLY48A, GLY66A, GLY66B, GLY6A, HIS144B, HIS211A, HIS28A, HIS28B, HIS72B, ILE134B, ILE200B, ILE203A, ILE203B, ILE236B, ILE34A, ILE63B, LEU11A, LEU154A, LEU154B, LEU15A, LEU16A, LEU16B, LEU18A, LEU18B, LEU196A, LEU233B, LEU246A, LEU246B, LEU35A, LEU57B, LEU97B, LYS130B, LYS157A, LYS157B, LYS206A, LYS206B, LYS207A, LYS222B, LYS31A, LYS31B, LYS41A, LYS71A, LYS71B, MET217A, MET217B, PHE191A, PHE195A, PHE235B, PHE248A, PHE248B, PHE255A, PHE255B, PHE37A, PHE46A, PHE62B, PRO128B, PRO155A, PRO155B, PRO162A, PRO162B, PRO192A, PRO199B, SER133B, SER158A, SER158B, SER160A, SER160B, SER163A, SER163B, SER170A, SER197A, SER202A, SER202B, SER20B, SER21B, SER223B, SER33A, SER38A, SER40A, SER49A, SER53B, SER54B, SER55B, SER67A, SER67B, SER69A, SER69B, SER7A, SER9A, THR212A, THR212B, THR228A, THR22B, THR237B, THR247A, THR96B, TRP102B, TRP219A, TRP219B, TRP238B, TRP52B, TYR159B, TYR244A, TYR24B, TYR250A, TYR250B, VAL100B, VAL156A, VAL156B, VAL164A, VAL164B, VAL166A, VAL193A, VAL201B, VAL208A, VAL208B, VAL243A, VAL251A, VAL251B, VAL253A, VAL253B, VAL30A, VAL30B, VAL56B, VAL64B, VAL70A, VAL70B, VAL8A
• A-C: ALA12C, ALA135A, ALA14A, ALA14C, ALA153C, ALA210C, ALA242C, ALA252A, ALA252C, ALA26A, ALA26C, ALA5C, ALA65A, ARG132A, ARG132C, ARG174C, ARG19A, ARG218A, ARG45C, ASN101A, ASN13C, ASN161A, ASN161C, ASN177C, ASN17A, ASN17C, ASN214A, ASN214C, ASN241A, ASN241C, ASN256C, ASN25A, ASN25C, ASN32C, ASN36C, ASN39C, ASN99A, ASP209C, ASP213A, ASP213C, ASP23A, ASP245C, ASP249A, ASP249C, ASP27A, ASP27C, ASP42C, ASP47C, ASP68A, ASP68C, ASP98A, CYS10C, CYS205A, CYS205C, GLN165C, GLN216A, GLN216C, GLN61A, GLU150C, GLU168C, GLU194C, GLU220A, GLU254A, GLU254C, GLU50C, GLY167C, GLY204A, GLY204C, GLY215A, GLY215C, GLY221A, GLY29A, GLY29C, GLY48C, GLY66A, GLY66C, GLY6C, HIS144A, HIS211C, HIS28A, HIS28C, HIS72A, ILE134A, ILE200A, ILE203A, ILE203C, ILE236A, ILE34C, ILE63A, LEU11C, LEU154A, LEU154C, LEU15C, LEU16A, LEU16C, LEU18A, LEU18C, LEU196C, LEU233A, LEU246A, LEU246C, LEU35C, LEU57A, LEU97A, LYS130A, LYS157A, LYS157C, LYS206A, LYS206C, LYS207C, LYS222A, LYS31A, LYS31C, LYS41C, LYS71A, LYS71C, MET217A, MET217C, PHE191C, PHE195C, PHE235A, PHE248A, PHE248C, PHE255A, PHE255C, PHE37C, PHE46C, PHE62A, PRO128A, PRO155A, PRO155C, PRO162A, PRO162C, PRO192C, PRO199A, SER133A, SER158A, SER158C, SER160A, SER160C, SER163A, SER163C, SER170C, SER197C, SER202A, SER202C, SER20A, SER21A, SER223A, SER33C, SER38C, SER40C, SER49C, SER53A, SER54A, SER55A, SER67A, SER67C, SER69A, SER69C, SER7C, SER9C, THR212A, THR212C, THR228C, THR22A, THR237A, THR247A, THR247C, THR96A, TRP102A, TRP219A, TRP219C, TRP238A, TRP52A, TYR152C, TYR159A, TYR244C, TYR24A, TYR250A, TYR250C, VAL100A, VAL156C, VAL164A, VAL164C, VAL166C, VAL193C, VAL201A, VAL208A, VAL208C, VAL243C, VAL251A, VAL251C, VAL253A, VAL253C, VAL30A, VAL30C, VAL56A, VAL64A, VAL70A, VAL70C, VAL8C
• B-C: ALA12B, ALA135C, ALA14B, ALA14C, ALA153B, ALA210B, ALA242B, ALA252B, ALA252C, ALA26B, ALA26C, ALA5B, ALA65C, ARG132C, ARG174B, ARG19C, ARG218C, ARG45B, ASN101C, ASN13B, ASN161B, ASN161C, ASN177B, ASN17B, ASN17C, ASN214C, ASN241B, ASN241C, ASN256B, ASN257B, ASN25B, ASN25C, ASN32B, ASN36B, ASN39B, ASN99C, ASP209B, ASP213B, ASP213C, ASP23C, ASP245B, ASP249B, ASP249C, ASP27B, ASP27C, ASP42B, ASP47B, ASP68B, ASP68C, ASP98C, CYS10B, CYS205B, CYS205C, GLN165B, GLN216C, GLN61C, GLU150B, GLU168B, GLU194B, GLU220C, GLU224C, GLU254B, GLU254C, GLU50B, GLY167B, GLY204B, GLY204C, GLY215B, GLY215C, GLY221C, GLY29B, GLY29C, GLY48B, GLY66B, GLY66C, GLY6B, HIS144C, HIS211B, HIS28B, HIS28C, HIS72C, ILE134C, ILE200C, ILE203B, ILE203C, ILE236C, ILE34B, ILE63C, LEU11B, LEU154B, LEU154C, LEU15B, LEU16B, LEU16C, LEU18B, LEU18C, LEU196B, LEU233C, LEU246B, LEU246C, LEU35B, LEU57C, LEU97C, LYS130C, LYS157B, LYS157C, LYS206B, LYS206C, LYS207B, LYS222C, LYS31B, LYS31C, LYS41B, LYS71B, LYS71C, MET217B, MET217C, PHE191B, PHE195B, PHE235C, PHE248B, PHE248C, PHE255B, PHE255C, PHE37B, PHE46B, PHE62C, PRO128C, PRO155B, PRO155C, PRO162B, PRO162C, PRO192B, PRO199B, PRO199C, SER133C, SER158B, SER158C, SER160B, SER160C, SER163B, SER163C, SER170B, SER197B, SER202B, SER202C, SER20C, SER21C, SER223C, SER33B, SER38B, SER40B, SER49B, SER53C, SER54C, SER55C, SER67B, SER67C, SER69B, SER69C, SER7B, SER9B, THR212B, THR212C, THR228B, THR22C, THR237C, THR247B, THR247C, THR96C, TRP102C, TRP219B, TRP219C, TRP238C, TRP52C, TYR159C, TYR244B, TYR24C, TYR250B, TYR250C, VAL100C, VAL156B, VAL156C, VAL164B, VAL164C, VAL166B, VAL193B, VAL201C, VAL208B, VAL208C, VAL243B, VAL251B, VAL251C, VAL253B, VAL253C, VAL30B, VAL30C, VAL56C, VAL64C, VAL70B, VAL70C, VAL8B
• B-D: GLU168B, SER182D
• B-F: ARG174B, ARG174F, ASP173B, ASP173F, GLY172B, GLY172F
• C-D: ARG183C, ARG183D, ASN225C, ASN225D, ASP232C, ASP232D, GLU220C, GLU220D, GLU224C, GLU224D, GLY179C, GLY179D, GLY181C, GLY181D, ILE185C, ILE185D, ILE200C, ILE200D, ILE226C, ILE226D, ILE236C, ILE236D, LEU176C, LEU176D, LYS222C, LYS222D, PHE231C, PHE231D, PHE235D, PRO199C, PRO199D, SER175C, SER175D, SER178C, SER178D, SER182C, SER182D, SER197D, SER223C, SER223D, THR180C, THR180D, THR184C, THR184D, THR227C, THR227D, THR228C, THR228D, THR234C, THR234D, THR237C, THR237D, TRP238C, TRP238D, VAL186C, VAL186D, VAL198C, VAL198D
• C-F: GLU168F, SER182C
• D-E: ALA12D, ALA135E, ALA14D, ALA14E, ALA153D, ALA210D, ALA242D, ALA252D, ALA252E, ALA26D, ALA26E, ALA5D, ALA65E, ARG132D, ARG132E, ARG174D, ARG19E, ARG218E, ARG45D, ASN101E, ASN13D, ASN161D, ASN161E, ASN177D, ASN17D, ASN17E, ASN214D, ASN214E, ASN241D, ASN241E, ASN256D, ASN257D, ASN25D, ASN25E, ASN32D, ASN39D, ASN99E, ASP209D, ASP213D, ASP213E, ASP23E, ASP245D, ASP249D, ASP249E, ASP27D, ASP27E, ASP42D, ASP47D, ASP68D, ASP68E, ASP98E, CYS10D, CYS205D, CYS205E, GLN165D, GLN216D, GLN216E, GLN61E, GLU150D, GLU168D, GLU194D, GLU220E, GLU254D, GLU254E, GLU50D, GLY167D, GLY204D, GLY204E, GLY215D, GLY215E, GLY221E, GLY29D, GLY29E, GLY48D, GLY66D, GLY66E, GLY6D, HIS144E, HIS211D, HIS28D, HIS28E, HIS72E, ILE134E, ILE200E, ILE203D, ILE203E, ILE236E, ILE34D, ILE63E, LEU11D, LEU154D, LEU154E, LEU15D, LEU16D, LEU16E, LEU18D, LEU18E, LEU196D, LEU233E, LEU246D, LEU246E, LEU35D, LEU57E, LEU97E, LYS130E, LYS157D, LYS157E, LYS206D, LYS206E, LYS207D, LYS222E, LYS31D, LYS31E, LYS41D, LYS71D, LYS71E, MET217D, MET217E, PHE191D, PHE195D, PHE248D, PHE248E, PHE255D, PHE255E, PHE37D, PHE46D, PHE62E, PRO128E, PRO155D, PRO155E, PRO162D, PRO162E, PRO192D, PRO199E, SER133E, SER158D, SER158E, SER160D, SER160E, SER163D, SER163E, SER170D, SER197D, SER202D, SER202E, SER20E, SER21E, SER223E, SER33D, SER38D, SER40D, SER44D, SER49D, SER53E, SER54E, SER55E, SER67D, SER67E, SER69D, SER69E, SER7D, SER9D, THR212D, THR212E, THR228D, THR22E, THR237E, THR247D, THR247E, THR96E, TRP102E, TRP219D, TRP219E, TRP238E, TRP52E, TYR159E, TYR244D, TYR24E, TYR250D, TYR250E, TYR95E, VAL100E, VAL156D, VAL156E, VAL164D, VAL164E, VAL166D, VAL193D, VAL201E, VAL208D, VAL208E, VAL243D, VAL251D, VAL251E, VAL253D, VAL253E, VAL30D, VAL30E, VAL56E, VAL64E, VAL70D, VAL70E, VAL8D
• D-F: ALA12F, ALA135D, ALA14D, ALA14F, ALA153F, ALA210F, ALA242F, ALA252D, ALA252F, ALA26D, ALA26F, ALA5F, ALA65D, ARG132D, ARG132F, ARG19D, ARG218D, ARG45F, ASN101D, ASN13F, ASN161D, ASN161F, ASN177F, ASN17D, ASN17F, ASN214D, ASN214F, ASN241D, ASN241F, ASN256F, ASN25D, ASN25F, ASN32F, ASN36F, ASN39F, ASN99D, ASP209F, ASP213D, ASP213F, ASP23D, ASP245F, ASP249D, ASP249F, ASP27D, ASP27F, ASP42F, ASP47F, ASP68D, ASP68F, ASP98D, CYS10F, CYS205D, CYS205F, GLN165F, GLN216D, GLN61D, GLU150F, GLU168F, GLU194F, GLU220D, GLU254D, GLU254F, GLU50F, GLY167F, GLY204D, GLY204F, GLY215D, GLY215F, GLY221D, GLY29D, GLY29F, GLY48F, GLY66D, GLY66F, GLY6F, HIS144D, HIS211F, HIS28D, HIS28F, HIS72D, ILE134D, ILE200D, ILE203D, ILE203F, ILE236D, ILE34F, ILE63D, LEU11F, LEU154D, LEU154F, LEU15F, LEU16D, LEU16F, LEU18D, LEU18F, LEU196F, LEU233D, LEU246D, LEU246F, LEU35F, LEU57D, LEU97D, LYS130D, LYS157D, LYS157F, LYS206D, LYS206F, LYS207F, LYS222D, LYS31D, LYS31F, LYS41F, LYS71D, LYS71F, MET217D, MET217F, PHE191F, PHE195F, PHE248D, PHE248F, PHE255D, PHE255F, PHE37F, PHE46F, PHE62D, PRO128D, PRO155D, PRO155F, PRO162D, PRO162F, PRO192F, PRO4F, SER133D, SER158D, SER158F, SER160D, SER160F, SER163D, SER163F, SER170F, SER197F, SER202D, SER202F, SER20D, SER21D, SER223D, SER33F, SER38F, SER40F, SER49F, SER54D, SER55D, SER67D, SER67F, SER69D, SER69F, SER7F, SER9F, THR212D, THR212F, THR228F, THR22D, THR237D, THR247D, THR247F, THR96D, TRP102D, TRP219D, TRP219F, TRP238D, TRP52D, TYR152F, TYR159D, TYR159F, TYR244F, TYR24D, TYR250D, TYR250F, VAL100D, VAL156D, VAL156F, VAL164D, VAL164F, VAL166F, VAL193F, VAL201D, VAL208D, VAL208F, VAL243F, VAL251D, VAL251F, VAL253D, VAL253F, VAL30D, VAL30F, VAL56D, VAL64D, VAL70D, VAL70F, VAL8F
• E-F: ALA12E, ALA135F, ALA14E, ALA14F, ALA153E, ALA210E, ALA242E, ALA252E, ALA252F, ALA26E, ALA26F, ALA5E, ALA65F, ARG132F, ARG174E, ARG19F, ARG218F, ARG45E, ASN101F, ASN13E, ASN161E, ASN161F, ASN177E, ASN17E, ASN17F, ASN214E, ASN214F, ASN241E, ASN241F, ASN256E, ASN257E, ASN25E, ASN25F, ASN32E, ASN39E, ASN99F, ASP209E, ASP213E, ASP213F, ASP23F, ASP245E, ASP249E, ASP249F, ASP27E, ASP27F, ASP42E, ASP47E, ASP68E, ASP68F, ASP98F, CYS10E, CYS205E, CYS205F, GLN165E, GLN216F, GLN61F, GLU150E, GLU168E, GLU194E, GLU220F, GLU254E, GLU254F, GLU50E, GLY167E, GLY204E, GLY204F, GLY215E, GLY215F, GLY221F, GLY29E, GLY29F, GLY48E, GLY66E, GLY66F, GLY6E, HIS144F, HIS211E, HIS28E, HIS28F, HIS72F, ILE134F, ILE200F, ILE203E, ILE203F, ILE236F, ILE34E, ILE63F, LEU11E, LEU154E, LEU154F, LEU15E, LEU16E, LEU16F, LEU18E, LEU18F, LEU196E, LEU233F, LEU246E, LEU246F, LEU35E, LEU57F, LEU97F, LYS130F, LYS157E, LYS157F, LYS206E, LYS206F, LYS207E, LYS222F, LYS31E, LYS31F, LYS41E, LYS71E, LYS71F, MET217E, MET217F, PHE191E, PHE195E, PHE235F, PHE248E, PHE248F, PHE255E, PHE255F, PHE37E, PHE46E, PHE62F, PRO128F, PRO155E, PRO155F, PRO162E, PRO162F, PRO192E, PRO199E, PRO199F, SER133F, SER158E, SER158F, SER160E, SER160F, SER163E, SER163F, SER170E, SER197E, SER202E, SER202F, SER20F, SER21F, SER223F, SER33E, SER38E, SER40E, SER49E, SER54F, SER55F, SER67E, SER67F, SER69E, SER69F, SER7E, SER9E, THR212E, THR212F, THR228E, THR22F, THR237F, THR247E, THR247F, THR96F, TRP102F, TRP219E, TRP219F, TRP238F, TRP52F, TYR159F, TYR244E, TYR24F, TYR250E, TYR250F, VAL100F, VAL156E, VAL156F, VAL164E, VAL164F, VAL166E, VAL193E, VAL201F, VAL208E, VAL208F, VAL243E, VAL251E, VAL251F, VAL253E, VAL253F, VAL30E, VAL30F, VAL56F, VAL64F, VAL70E, VAL70F, VAL8E