3D5N

crystal structure of the q97w15_sulso protein from sulfolobus solfataricus. nesg target ssr125.

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 76
  • Norm. En. per Res.: -3.8264
• 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	-38.5506	-11.8838	-219.861	-270.2953	78	16	10	9647	1	19	19
A-F	-13.3039	-24.3379	-34.715	-72.3568	35	1	0	1943	1	17	23
A-H	-4.6124	-5.8083	-41.0562	-51.4769	35	0	1	2250	0	6	8
A-I	-9.7335	-14.9144	-58.9228	-83.5707	38	9	0	2449	1	12	15
B-H	0.0	13.3824	-3.8639	9.5186	12	0	0	235	0	6	7
B-I	-10.0666	-18.2011	-26.9151	-55.1828	24	4	0	1159	2	5	8
D-E	-37.9829	-3.3783	-246.084	-287.4452	76	26	10	9908	4	16	20
D-F	-9.2123	-13.3381	-74.6769	-97.2273	35	8	0	2804	3	11	14
D-G	-2.9402	-6.9404	-45.6035	-55.4841	37	2	0	2430	0	7	10
D-I	0.0	-31.7977	-39.9515	-71.7492	34	2	0	1891	2	18	23
E-F	-17.8456	-20.7901	-23.4122	-62.0479	22	2	0	1050	2	7	8
E-G	0.0	6.0643	-3.4695	2.5948	11	0	0	225	0	7	7
F-G	-25.0596	0.0	-226.681	-251.7406	74	28	12	9296	3	17	18
F-I	-65.774	-34.2829	-213.417	-313.4739	83	23	8	9902	6	70	64
H-I	-37.8223	-15.0344	-237.95	-290.8067	76	25	10	9743	5	20	18

Interface residues

• A-B: ARG82A, ARG82B, ASN2A, ASN52A, ASN52B, ASN66A, ASN66B, ASN70B, ASP60A, ASP60B, ASP86A, ASP86B, GLN61A, GLN61B, GLU142B, GLU42A, GLU42B, GLU53A, GLU53B, GLY48A, GLY48B, GLY4A, GLY4B, GLY80A, GLY80B, ILE44A, ILE44B, ILE45A, ILE45B, ILE46A, ILE46B, ILE62A, ILE62B, ILE64A, ILE64B, LEU55A, LEU55B, LEU57A, LEU57B, LEU58A, LEU58B, LEU79A, LEU79B, LEU81A, LEU81B, LYS43A, LYS43B, LYS78A, LYS78B, LYS85A, LYS85B, PHE68A, PHE68B, PHE83A, PHE83B, PHE84A, PHE84B, PRO56A, PRO56B, PRO67A, PRO67B, SER76A, THR75A, THR75B, TRP69B, TYR50A, TYR65A, TYR65B, TYR87A, TYR87B, VAL47A, VAL47B, VAL51A, VAL51B, VAL5B, VAL63A, VAL63B, VAL90B
• A-F: ARG127F, ARG33A, ARG36A, ASN106A, ASN110A, ASN155F, ASP104A, ASP26A, CYS167A, GLU103A, GLU126F, GLU160F, GLU166A, GLY125F, GLY39A, HIS123F, ILE120F, ILE157F, ILE159F, ILE165A, ILE37A, LEU154F, LEU162F, LEU172F, LYS102A, LYS107A, LYS113A, LYS124F, LYS156F, LYS158F, PHE164F, THR101A, THR111A, THR122F, THR28A
• A-H: ALA23A, ARG36H, ASN27A, ASN27H, ASN52A, ASN52H, ASP19A, ASP26H, ASP60H, GLN61H, GLU53A, GLU53H, GLY18A, ILE30A, ILE31A, LEU21A, LEU22A, LEU22H, LEU55A, LEU55H, LEU57A, LEU57H, LEU58H, LYS20A, LYS24A, LYS24H, LYS49A, PRO29A, PRO29H, PRO56A, PRO56H, THR28A, THR28H, TYR50A, VAL51H
• A-I: ARG33A, ARG36A, ASN106A, ASN27A, ASN52I, ASN70I, ASP180I, ASP26A, ASP40A, ASP60A, GLN61A, GLU103A, GLU179I, GLU53I, GLY39A, ILE25A, ILE35A, LEU22A, LEU22I, LEU55A, LEU55I, LEU57A, LEU57I, LEU58A, LYS102A, LYS177I, LYS24A, LYS43A, LYS49I, PRO29A, PRO56A, PRO56I, PRO67I, THR28A, TRP69I, TYR50I, TYR65I, VAL51I
• B-H: ARG36H, ASN52B, ASP40H, ASP60H, GLN61H, GLU53B, GLY39H, LEU22B, LYS24B, LYS43H, PRO56B, VAL51B
• B-I: ARG145I, ASN52B, ASN66B, ASN70B, ASN70I, ASP147I, GLU53B, GLU71B, GLU71I, GLY146I, GLY48B, GLY72I, LYS49B, LYS78I, PHE68B, PHE68I, PRO67B, PRO67I, THR75I, TRP69B, TRP69I, TYR50B, TYR65B, VAL51B
• D-E: ARG82D, ARG82E, ASN2D, ASN52D, ASN52E, ASN66D, ASN66E, ASN70E, ASP60D, ASP60E, ASP86D, ASP86E, GLN61D, GLN61E, GLU42D, GLU42E, GLU53D, GLY48D, GLY48E, GLY4D, GLY4E, GLY80D, GLY80E, ILE44D, ILE44E, ILE45D, ILE45E, ILE46D, ILE46E, ILE62D, ILE62E, ILE64D, ILE64E, ILE6E, LEU55D, LEU55E, LEU57D, LEU57E, LEU58D, LEU58E, LEU79D, LEU79E, LEU81D, LEU81E, LYS135D, LYS43D, LYS43E, LYS78D, LYS78E, LYS85D, LYS85E, PHE68D, PHE68E, PHE83D, PHE83E, PHE84D, PHE84E, PRO56D, PRO56E, PRO67D, PRO67E, THR75D, THR75E, TYR50D, TYR65D, TYR65E, TYR87D, TYR87E, VAL47D, VAL47E, VAL51D, VAL51E, VAL5E, VAL63D, VAL63E, VAL90D
• D-F: ARG33D, ARG36D, ASN27D, ASN52F, ASN70F, ASP19F, ASP26D, ASP40D, ASP60D, GLN61D, GLU179F, GLU53F, GLU71F, ILE25D, ILE35D, LEU22D, LEU22F, LEU55D, LEU55F, LEU57D, LEU57F, LEU58D, LYS102D, LYS24D, LYS43D, LYS49F, PRO29D, PRO56D, PRO56F, PRO67F, THR28D, TRP69F, TYR50F, TYR65F, VAL51F
• D-G: ALA23D, ARG36G, ASN27D, ASN27G, ASN52D, ASN52G, ASP19D, ASP26D, ASP26G, ASP60G, GLN61G, GLU53D, GLU53G, GLY17D, GLY18D, ILE30D, ILE31D, LEU21D, LEU22D, LEU55D, LEU55G, LEU57D, LEU57G, LEU58G, LYS20D, LYS24D, LYS24G, LYS49D, PRO29D, PRO29G, PRO56D, PRO56G, THR28D, THR28G, TYR50D, TYR50G, VAL51G
• D-I: ARG127I, ARG33D, ARG36D, ASN106D, ASN110D, ASN155I, ASP104D, GLU103D, GLU126I, GLU160I, GLU166D, GLY125I, GLY39D, HIS123I, ILE108D, ILE109D, ILE120I, ILE157I, ILE159I, ILE165D, ILE37D, LEU154I, LEU162I, LYS102D, LYS107D, LYS113D, LYS124I, LYS156I, LYS158I, PHE164I, THR101D, THR111D, THR122I, VAL105D
• E-F: ARG145F, ASN52E, ASN66E, ASN70E, ASN70F, ASP147F, GLU12E, GLU53E, GLU71F, GLY146F, GLY72F, LYS49E, LYS78F, PHE68E, PHE68F, PRO67E, PRO67F, THR75F, TRP69E, TRP69F, TYR50E, TYR65E
• E-G: ARG36G, ASN52E, ASP19E, ASP40G, ASP60G, GLN61G, GLU53E, GLY39G, LEU22E, LYS43G, PRO56E
• F-G: ARG82F, ARG82G, ASN2F, ASN52F, ASN52G, ASN66F, ASN66G, ASP60F, ASP60G, ASP86F, ASP86G, GLN61F, GLN61G, GLU42F, GLU42G, GLU53F, GLU53G, GLY48F, GLY48G, GLY4F, GLY4G, GLY80F, GLY80G, ILE44F, ILE44G, ILE45F, ILE45G, ILE46F, ILE46G, ILE62F, ILE62G, ILE64F, ILE64G, LEU55F, LEU55G, LEU57F, LEU57G, LEU58F, LEU58G, LEU79F, LEU79G, LEU81F, LEU81G, LYS43F, LYS43G, LYS78F, LYS78G, LYS85F, LYS85G, PHE68F, PHE68G, PHE83F, PHE83G, PHE84F, PHE84G, PRO56F, PRO56G, PRO67F, PRO67G, THR75F, THR75G, TRP69F, TYR50F, TYR50G, TYR65F, TYR65G, TYR87F, TYR87G, VAL47F, VAL47G, VAL51F, VAL51G, VAL63F, VAL63G
• F-I: ALA23F, ALA23I, ARG127F, ARG127I, ARG151F, ARG33F, ARG33I, ASN129F, ASN129I, ASN155F, ASN27F, ASN27I, ASP174F, ASP174I, ASP176F, ASP176I, ASP180I, ASP19F, ASP26F, ASP26I, ASP96F, ASP96I, CYS167F, GLU126F, GLU126I, GLU169F, GLU169I, GLU179F, GLU179I, GLU53I, GLY11F, GLY125F, GLY128F, GLY128I, GLY170F, GLY170I, GLY95F, GLY95I, HIS123F, HIS123I, ILE120F, ILE173F, ILE173I, ILE175F, ILE175I, ILE25F, ILE25I, ILE30F, ILE30I, LEU154F, LEU172F, LEU172I, LEU21F, LEU21I, LEU22F, LEU22I, LEU94F, LEU94I, LYS124F, LYS124I, LYS177F, LYS177I, LYS178F, LYS178I, LYS20F, LYS20I, LYS24F, LYS24I, PHE164F, PHE99F, PHE99I, PRO121F, PRO29F, PRO98F, PRO98I, SER168F, SER168I, THR101F, THR101I, THR28F, VAL131F, VAL171F, VAL171I
• H-I: ARG82H, ARG82I, ASN2I, ASN52H, ASN52I, ASN66H, ASN66I, ASP60H, ASP60I, ASP86H, ASP86I, GLN61H, GLN61I, GLU42H, GLU42I, GLU53H, GLU53I, GLY48H, GLY48I, GLY4H, GLY4I, GLY80H, GLY80I, ILE3I, ILE44H, ILE44I, ILE45H, ILE45I, ILE46H, ILE46I, ILE62H, ILE62I, ILE64H, ILE64I, LEU55H, LEU55I, LEU57H, LEU57I, LEU58H, LEU58I, LEU79H, LEU79I, LEU81H, LEU81I, LYS43H, LYS43I, LYS78H, LYS78I, LYS85H, LYS85I, PHE68H, PHE68I, PHE83H, PHE83I, PHE84H, PHE84I, PRO56H, PRO56I, PRO67H, PRO67I, THR75H, TRP69I, TYR50H, TYR50I, TYR65H, TYR65I, TYR87H, TYR87I, VAL47H, VAL47I, VAL51H, VAL51I, VAL5I, VAL63H, VAL63I, VAL90I