2V4E

a non-cytotoxic dsred variant for whole-cell labeling

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 118
  • Norm. En. per Res.: -4.9893
• 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	-65.4957	-101.7417	-428.808	-596.0454	123	20	4	14713	10	71	86
A-C	-86.923	-2.5396	-235.139	-324.6015	108	12	7	10458	3	31	28
A-D	0.0	0.0	-0.4652	-0.4652	6	0	0	60	0	0	5
B-C	0.0	0.0	-0.3818	-0.3818	6	0	0	50	0	0	4
B-D	-104.4502	-4.1734	-237.874	-346.4976	108	14	7	10607	3	31	28
B-F	0.0	9.9133	-1.6429	8.2704	8	0	0	135	0	8	5
C-D	-61.2896	-61.6695	-441.02	-563.9791	119	16	4	14814	10	70	86
D-F	-15.0299	-5.9683	-44.5853	-65.5835	30	2	0	1820	1	14	14
D-H	0.0	4.6348	-5.2842	-0.6494	12	0	0	322	0	14	8
E-F	-58.2871	-102.4338	-428.018	-588.7388	118	19	4	14547	10	70	86
E-G	-101.8896	4.971	-229.275	-326.1936	107	19	8	10262	2	28	27
E-H	0.0	1.0066	-0.4847	0.5219	6	0	0	59	0	0	5
F-G	0.0	0.0	-0.319	-0.319	6	0	0	44	0	0	5
F-H	-84.9875	8.206	-239.283	-316.0645	107	12	8	10585	3	30	28
G-H	-51.5478	-100.1495	-416.623	-568.3204	118	20	4	14424	14	70	84

Interface residues

• A-B: ALA164A, ALA164B, ALA219A, ALA219B, ARG149A, ARG149B, ARG153A, ARG153B, ARG216A, ARG216B, ARG220A, ARG220B, ASN98A, ASN98B, ASP101A, ASP101B, ASP154A, ASP154B, ASP196A, ASP196B, CYS175A, CYS175B, GLU100A, GLU100B, GLU144A, GLU144B, GLU148A, GLU148B, GLU160A, GLU160B, GLU176A, GLU176B, GLU215A, GLU215B, GLU218A, GLU218B, GLU39B, GLY159A, GLY159B, GLY170B, GLY171A, GLY171B, GLY191A, GLY191B, GLY40A, GLY40B, HIS162A, HIS162B, HIS172A, HIS172B, HIS221A, HIS221B, HIS222A, HIS222B, ILE161A, ILE161B, LEU150A, LEU150B, LEU165A, LEU165B, LEU167A, LEU167B, LEU174A, LEU174B, LEU199A, LEU199B, LEU223A, LEU223B, LEU225A, LEU225B, LYS158A, LYS158B, LYS163A, LYS163B, LYS166A, LYS166B, LYS178A, LYS178B, LYS198A, LYS198B, LYS70A, LYS70B, LYS74A, LYS74B, PHE177A, PHE177B, PHE224A, PHE224B, PRO134A, PRO134B, PRO145A, PRO145B, PRO152A, PRO152B, PRO190A, PRO190B, SER146A, SER146B, SER197A, SER197B, THR147A, THR147B, THR217A, THR217B, THR41B, THR73A, THR73B, TRP143A, TRP143B, TYR151A, TYR151B, TYR173A, TYR173B, TYR192A, TYR192B, TYR193A, TYR193B, TYR194A, TYR194B, TYR214A, TYR214B, VAL195A, VAL195B
• A-C: ARG153A, ARG153C, ARG95A, ARG95C, ASN128A, ASN128C, ASN23A, ASN23C, ASN98A, ASN98C, ASP101A, ASP101C, ASP110A, ASP110C, ASP132A, ASP132C, ASP154A, ASP154C, GLN109A, GLN109C, GLU160A, GLU160C, GLU19A, GLU19C, GLU26A, GLU26C, GLU28A, GLU28C, GLU94A, GLU94C, GLY102A, GLY102C, GLY103A, GLY103C, GLY126A, GLY126C, GLY133A, GLY133C, GLY155A, GLY155C, GLY159A, GLY159C, GLY20A, GLY20C, GLY24A, GLY24C, HIS121A, HIS121C, HIS25A, HIS25C, ILE125A, ILE125C, ILE180A, ILE180C, LYS123A, LYS123C, LYS158A, LYS158C, LYS178A, LYS178C, LYS50A, LYS50C, LYS92A, LYS92C, MET136A, MET136C, MET182A, MET182C, MET97A, MET97C, PHE124A, PHE124C, PHE129A, PHE129C, PHE27A, PHE27C, PRO130A, PRO130C, SER131A, SER131C, SER179A, SER179C, SER21A, SER21C, THR106A, THR106C, THR108A, THR108C, TRP93A, TRP93C, TYR151A, TYR151C, VAL104A, VAL104C, VAL105A, VAL105C, VAL107A, VAL107C, VAL122A, VAL122C, VAL127A, VAL127C, VAL156A, VAL156C, VAL22A, VAL22C, VAL96A, VAL96C
• A-D: ASP101A, ASP101D, GLU100A, GLU100D, GLY102A, GLY102D
• B-C: ASP101B, ASP101C, GLU100B, GLU100C, GLY102B, GLY102C
• B-D: ARG153B, ARG153D, ARG95B, ARG95D, ASN128B, ASN128D, ASN23B, ASN23D, ASN98B, ASN98D, ASP101B, ASP101D, ASP110B, ASP110D, ASP132B, ASP132D, ASP154B, ASP154D, GLN109B, GLN109D, GLU160B, GLU160D, GLU19B, GLU19D, GLU26B, GLU26D, GLU28B, GLU28D, GLU94B, GLU94D, GLY102B, GLY102D, GLY103B, GLY103D, GLY126B, GLY126D, GLY133B, GLY133D, GLY155B, GLY155D, GLY159B, GLY159D, GLY20B, GLY20D, GLY24B, GLY24D, HIS121B, HIS121D, HIS25B, HIS25D, ILE125B, ILE125D, ILE180B, ILE180D, LYS123B, LYS123D, LYS158B, LYS158D, LYS178B, LYS178D, LYS50B, LYS50D, LYS92B, LYS92D, MET136B, MET136D, MET182B, MET182D, MET97B, MET97D, PHE124B, PHE124D, PHE129B, PHE129D, PHE27B, PHE27D, PRO130B, PRO130D, SER131B, SER131D, SER179B, SER179D, SER21B, SER21D, THR106B, THR106D, THR108B, THR108D, TRP93B, TRP93D, TYR151B, TYR151D, VAL104B, VAL104D, VAL105B, VAL105D, VAL107B, VAL107D, VAL122B, VAL122D, VAL127B, VAL127D, VAL156B, VAL156D, VAL22B, VAL22D, VAL96B, VAL96D
• B-F: ASN205F, GLN114B, GLU206F, GLU89B, LEU113B, LYS184B, PRO88B, SER112B
• C-D: ALA164C, ALA164D, ALA219C, ALA219D, ARG149C, ARG149D, ARG153C, ARG153D, ARG216C, ARG216D, ARG220C, ARG220D, ASN98C, ASN98D, ASP101C, ASP154D, ASP196C, ASP196D, ASP200C, CYS175C, CYS175D, GLU100C, GLU100D, GLU144C, GLU144D, GLU148C, GLU148D, GLU160C, GLU160D, GLU176C, GLU176D, GLU215C, GLU215D, GLU218C, GLU218D, GLU39C, GLY159C, GLY159D, GLY171C, GLY171D, GLY191C, GLY191D, GLY40C, GLY40D, HIS162C, HIS162D, HIS172C, HIS172D, HIS221C, HIS221D, HIS222C, HIS222D, ILE161C, ILE161D, LEU150C, LEU150D, LEU165C, LEU165D, LEU167C, LEU167D, LEU174C, LEU174D, LEU199C, LEU199D, LEU223C, LEU223D, LEU225C, LEU225D, LYS158C, LYS158D, LYS163C, LYS163D, LYS166C, LYS166D, LYS178C, LYS178D, LYS198C, LYS198D, LYS70C, LYS70D, LYS74C, LYS74D, PHE177C, PHE177D, PHE224C, PHE224D, PRO134C, PRO134D, PRO145C, PRO145D, PRO152C, PRO152D, PRO190C, PRO190D, SER146C, SER146D, SER197C, SER197D, THR147C, THR147D, THR217C, THR217D, THR73D, TRP143C, TRP143D, TYR151C, TYR151D, TYR173C, TYR173D, TYR192C, TYR192D, TYR193C, TYR193D, TYR194C, TYR194D, TYR214C, TYR214D, VAL195C, VAL195D
• D-F: ASN205D, ASP207D, GLN47F, GLU206D, GLU26F, GLU28D, GLU28F, GLU30F, GLY51D, GLY51F, GLY52D, GLY52F, HIS17F, HIS25D, HIS25F, LEU54D, LYS50D, LYS50F, PHE27D, PHE27F, PRO53D, PRO53F, THR209D, THR49D, THR49F, TYR208D, VAL210D, VAL210F, VAL48D, VAL48F
• D-H: ASN205D, ASP110H, ASP207D, GLN114H, GLU206D, GLU89H, HIS121H, HIS204D, ILE119H, LEU113H, LYS184H, SER112H
• E-F: ALA164E, ALA164F, ALA219E, ALA219F, ARG149E, ARG149F, ARG153E, ARG153F, ARG216E, ARG216F, ARG220E, ARG220F, ASN98E, ASN98F, ASP154F, ASP196E, ASP196F, CYS175E, CYS175F, GLU100E, GLU100F, GLU144E, GLU144F, GLU148E, GLU148F, GLU160E, GLU160F, GLU176E, GLU176F, GLU215E, GLU215F, GLU218E, GLU218F, GLU39F, GLY159E, GLY159F, GLY171E, GLY171F, GLY191E, GLY191F, GLY40E, GLY40F, HIS162E, HIS162F, HIS172E, HIS172F, HIS221E, HIS221F, HIS222E, HIS222F, ILE161E, ILE161F, LEU150E, LEU150F, LEU165E, LEU165F, LEU167E, LEU167F, LEU174E, LEU174F, LEU199E, LEU199F, LEU223E, LEU223F, LEU225E, LEU225F, LYS158E, LYS158F, LYS163E, LYS163F, LYS166E, LYS166F, LYS178E, LYS178F, LYS198E, LYS198F, LYS70E, LYS70F, LYS74E, LYS74F, PHE177E, PHE177F, PHE224E, PHE224F, PRO134E, PRO134F, PRO145E, PRO145F, PRO152E, PRO152F, PRO190E, PRO190F, SER146E, SER146F, SER197E, SER197F, THR147E, THR147F, THR217E, THR217F, THR73E, THR73F, TRP143E, TRP143F, TYR151E, TYR151F, TYR173E, TYR173F, TYR192E, TYR192F, TYR193E, TYR193F, TYR194E, TYR194F, TYR214E, TYR214F, VAL195E, VAL195F
• E-G: ARG153E, ARG153G, ARG95E, ARG95G, ASN128E, ASN128G, ASN23E, ASN23G, ASN98E, ASN98G, ASP101E, ASP101G, ASP110E, ASP110G, ASP132E, ASP132G, ASP154E, ASP154G, GLN109E, GLN109G, GLU160E, GLU160G, GLU19E, GLU19G, GLU26E, GLU26G, GLU28E, GLU28G, GLU94E, GLU94G, GLY102E, GLY102G, GLY103E, GLY103G, GLY126E, GLY126G, GLY133E, GLY133G, GLY155E, GLY155G, GLY159E, GLY159G, GLY20E, GLY20G, GLY24E, GLY24G, HIS121E, HIS121G, HIS25E, HIS25G, ILE125E, ILE125G, ILE180E, ILE180G, LYS123E, LYS123G, LYS158E, LYS158G, LYS178E, LYS178G, LYS50G, LYS92E, LYS92G, MET136E, MET136G, MET182E, MET182G, MET97E, MET97G, PHE124E, PHE124G, PHE129E, PHE129G, PHE27E, PHE27G, PRO130E, PRO130G, SER131E, SER131G, SER179E, SER179G, SER21E, SER21G, THR106E, THR106G, THR108E, THR108G, TRP93E, TRP93G, TYR151E, TYR151G, VAL104E, VAL104G, VAL105E, VAL105G, VAL107E, VAL107G, VAL122E, VAL122G, VAL127E, VAL127G, VAL156E, VAL156G, VAL22E, VAL22G, VAL96E, VAL96G
• E-H: ASP101E, ASP101H, GLU100E, GLU100H, GLY102E, GLY102H
• F-G: ASP101F, ASP101G, GLU100F, GLU100G, GLY102F, GLY102G
• F-H: ARG153F, ARG153H, ARG95F, ARG95H, ASN128F, ASN128H, ASN23F, ASN23H, ASN98F, ASN98H, ASP101F, ASP101H, ASP110F, ASP110H, ASP132F, ASP132H, ASP154F, ASP154H, GLN109F, GLN109H, GLU160F, GLU160H, GLU19F, GLU19H, GLU26F, GLU26H, GLU28F, GLU28H, GLU94F, GLU94H, GLY102F, GLY102H, GLY103F, GLY103H, GLY126F, GLY126H, GLY133F, GLY133H, GLY155F, GLY155H, GLY159H, GLY20F, GLY20H, GLY24F, GLY24H, HIS121F, HIS121H, HIS25F, HIS25H, ILE125F, ILE125H, ILE180F, ILE180H, LYS123F, LYS123H, LYS158F, LYS158H, LYS178F, LYS178H, LYS50F, LYS50H, LYS92F, LYS92H, MET136F, MET136H, MET182F, MET182H, MET97F, MET97H, PHE124F, PHE124H, PHE129F, PHE129H, PHE27F, PHE27H, PRO130F, PRO130H, SER131F, SER131H, SER179F, SER179H, SER21F, SER21H, THR106F, THR106H, THR108F, THR108H, TRP93F, TRP93H, TYR151F, TYR151H, VAL104F, VAL104H, VAL105F, VAL105H, VAL107F, VAL107H, VAL122F, VAL122H, VAL127F, VAL127H, VAL156F, VAL156H, VAL22F, VAL22H, VAL96F, VAL96H
• G-H: ALA164G, ALA164H, ALA219G, ALA219H, ARG149G, ARG149H, ARG153G, ARG153H, ARG216G, ARG216H, ARG220G, ARG220H, ASN98G, ASN98H, ASP101G, ASP101H, ASP154H, ASP196G, ASP196H, ASP200G, CYS175G, CYS175H, GLU100G, GLU100H, GLU144G, GLU144H, GLU148G, GLU148H, GLU160G, GLU160H, GLU176G, GLU176H, GLU215G, GLU215H, GLU218G, GLU218H, GLY159G, GLY159H, GLY171G, GLY171H, GLY191G, GLY191H, GLY40G, GLY40H, HIS162G, HIS162H, HIS172G, HIS172H, HIS221G, HIS221H, HIS222G, HIS222H, ILE161G, ILE161H, LEU150G, LEU150H, LEU165G, LEU165H, LEU167G, LEU167H, LEU174G, LEU174H, LEU199G, LEU199H, LEU223G, LEU223H, LEU225G, LEU225H, LYS158G, LYS158H, LYS163G, LYS163H, LYS166G, LYS166H, LYS178G, LYS178H, LYS198G, LYS198H, LYS70G, LYS74G, LYS74H, PHE177G, PHE177H, PHE224G, PHE224H, PRO134G, PRO145G, PRO145H, PRO152G, PRO152H, PRO190G, PRO190H, SER146G, SER146H, SER197G, SER197H, THR147G, THR147H, THR217G, THR217H, THR73G, THR73H, TRP143G, TRP143H, TYR151G, TYR151H, TYR173G, TYR173H, TYR192G, TYR192H, TYR193G, TYR193H, TYR194G, TYR194H, TYR214G, TYR214H, VAL195G, VAL195H