2AHM

crystal structure of sars-cov super complex of non-structural proteins: the hexadecamer

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 43
  • Norm. En. per Res.: -3.5803
• 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-D	-2.71	0.0	-34.5028	-37.2128	39	0	3	1974	0	2	2
A-E	-24.0909	-9.92	-355.456	-389.4669	115	16	19	16432	1	11	10
A-H	0.0	-9.243	-89.1301	-98.3731	47	2	5	4147	1	4	8
B-C	-7.2315	0.0	-31.3253	-38.5568	36	1	3	1735	0	1	2
B-F	-43.6434	-25.0555	-346.433	-415.132	117	21	21	16362	1	13	12
B-G	0.0	-9.6373	-78.2714	-87.9087	40	1	4	3468	1	5	9
C-F	0.0	-6.3461	-62.6404	-68.9865	44	0	4	3293	0	7	10
C-G	-3.186	-11.2915	-358.429	-372.9065	120	26	20	16408	0	11	10
C-H	-10.9725	21.6373	-93.0495	-82.3847	65	6	3	4686	0	7	11
D-E	0.0	-6.4718	-81.5234	-87.9952	49	4	4	3920	0	5	10
D-G	-4.1274	8.5687	-78.7024	-74.261	66	2	3	4218	0	7	11
D-H	-10.4247	1.7204	-331.354	-340.0583	115	18	19	15798	1	10	9
E-G	-26.6612	-44.2519	-83.0393	-153.9525	43	6	0	3783	2	15	15
E-H	-6.3506	-4.46	-58.1973	-69.0079	31	9	1	2593	0	4	6
F-G	0.0	0.0	-0.2376	-0.2376	6	0	0	57	0	2	2
F-H	-9.4575	-45.6272	-78.1462	-133.2309	41	10	0	3755	3	15	16
G-H	-18.7397	-2.6428	-109.649	-131.0315	84	7	4	5019	0	19	10

Interface residues

• A-D: ASN42A, ASN42D, CYS13A, CYS13D, GLN23A, GLN23D, GLN24A, GLN24D, GLU28A, GLU28D, HIS41A, HIS41D, LEU18A, LEU18D, LEU19A, LEU19D, LEU3A, LEU45A, LEU45D, LEU76D, LYS12A, LYS12D, PRO2A, SER15A, SER15D, SER20A, SER20D, THR14A, THR14D, TRP34A, TRP34D, VAL16A, VAL16D, VAL17A, VAL17D, VAL21A, VAL21D, VAL38A, VAL38D
• A-E: ALA107E, ALA115E, ALA155E, ALA157E, ALA53A, ALA70A, ALA86E, ALA91E, ARG101E, ARG116E, ARG195E, ARG26A, ARG75A, ARG80E, ARG85E, ASN105E, ASN109E, ASN110E, ASN113E, ASN114E, ASN123E, ASN74A, ASP104E, ASP106E, ASP10A, ASP117E, ASP72A, CYS119E, CYS13A, CYS37A, CYS77A, GLN23A, GLN24A, GLN36A, GLN68A, GLN93E, GLU52A, GLU55A, GLU78A, GLU82E, GLY118E, GLY69A, ILE111E, ILE112E, ILE124E, ILE125E, ILE44A, ILE73A, LEU100E, LEU103E, LEU108E, LEU122E, LEU127E, LEU133E, LEU18A, LEU19A, LEU22A, LEU25A, LEU33A, LEU40A, LEU60A, LEU61A, LEU64A, LEU65A, LEU76A, LEU96E, LYS102E, LYS12A, LYS32A, LYS56A, LYS7A, LYS84E, LYS87E, MET134E, MET57A, MET67A, MET8A, MET92E, MET95E, MET99E, PHE54A, PHE97E, PRO121E, PRO126E, PRO138E, SER156E, SER15A, SER20A, SER59A, SER62A, SER66A, SER6A, SER90E, SER9A, THR128E, THR14A, THR50A, THR51A, THR89E, THR94E, THR98E, TRP159E, TRP34A, TYR154E, VAL11A, VAL120E, VAL135E, VAL136E, VAL16A, VAL17A, VAL21A, VAL58A, VAL63A, VAL71A, VAL88E
• A-H: ALA47A, ALA86H, ALA91H, ARG101H, ARG85H, ASN42A, ASP10A, ASP43A, ASP83H, CYS13A, GLN39A, GLN93H, GLY4A, HIS41A, ILE44A, LEU19A, LEU3A, LEU40A, LEU45A, LEU46A, LEU96H, LYS102H, LYS12A, LYS48A, LYS56A, LYS84H, LYS87H, MET8A, MET92H, MET95H, MET99H, PHE97H, PRO2A, SER15A, SER20A, SER81H, SER90H, SER9A, THR14A, THR89H, THR94H, THR98H, VAL11A, VAL16A, VAL17A, VAL38A, VAL88H
• B-C: ASN42B, ASN42C, CYS13B, CYS13C, GLN23B, GLN23C, GLN24B, GLN24C, GLU28B, GLU28C, HIS41B, HIS41C, LEU18B, LEU18C, LEU19B, LEU19C, LEU45B, LEU45C, LEU46B, LYS12B, LYS12C, SER15B, SER20B, SER20C, THR14B, THR14C, TRP34B, TRP34C, VAL16B, VAL16C, VAL17B, VAL17C, VAL21B, VAL21C, VAL38B, VAL38C
• B-F: ALA107F, ALA115F, ALA155F, ALA157F, ALA35B, ALA53B, ALA70B, ALA86F, ALA91F, ARG101F, ARG116F, ARG195F, ARG26B, ARG75B, ARG80F, ARG85F, ASN105F, ASN109F, ASN110F, ASN113F, ASN114F, ASN123F, ASN74B, ASP104F, ASP106F, ASP10B, ASP117F, ASP43B, ASP72B, CYS119F, CYS13B, CYS37B, CYS77B, GLN23B, GLN24B, GLN36B, GLN39B, GLN68B, GLN93F, GLU52B, GLU55B, GLU78B, GLU79B, GLY118F, GLY69B, ILE111F, ILE112F, ILE124F, ILE125F, ILE44B, ILE73B, LEU100F, LEU103F, LEU108F, LEU122F, LEU127F, LEU133F, LEU18B, LEU19B, LEU22B, LEU25B, LEU33B, LEU40B, LEU60B, LEU61B, LEU64B, LEU65B, LEU76B, LEU96F, LYS102F, LYS12B, LYS32B, LYS56B, LYS7B, LYS84F, LYS87F, MET57B, MET67B, MET8B, MET92F, MET95F, MET99F, PHE54B, PHE97F, PRO121F, PRO126F, PRO138F, SER156F, SER15B, SER20B, SER59B, SER62B, SER66B, SER6B, SER90F, SER9B, THR128F, THR14B, THR50B, THR51B, THR89F, THR94F, THR98F, TRP159F, TRP34B, TYR154F, VAL11B, VAL120F, VAL135F, VAL16B, VAL17B, VAL21B, VAL38B, VAL58B, VAL63B, VAL71B, VAL88F
• B-G: ALA47B, ALA86G, ALA91G, ARG85G, ASN42B, ASP10B, ASP43B, ASP83G, CYS13B, GLN39B, GLN93G, HIS41B, ILE44B, LEU19B, LEU45B, LEU46B, LEU96G, LYS12B, LYS56B, LYS84G, LYS87G, MET8B, MET92G, MET95G, MET99G, SER15B, SER20B, SER6B, SER81G, SER90G, SER9B, THR14B, THR89G, THR94G, THR98G, VAL11B, VAL16B, VAL17B, VAL38B, VAL88G
• C-F: ALA35C, ALA47C, ALA86F, ALA91F, ARG80F, ARG85F, ASN42C, ASP10C, ASP43C, ASP83F, CYS13C, GLN39C, GLN78F, GLN93F, HIS41C, ILE44C, LEU19C, LEU45C, LEU46C, LEU96F, LYS102F, LYS12C, LYS48C, LYS84F, LYS87F, MET8C, MET92F, MET95F, MET99F, SER15C, SER20C, SER5C, SER6C, SER90F, SER9C, THR14C, THR89F, THR94F, THR98F, VAL11C, VAL16C, VAL17C, VAL38C, VAL88F
• C-G: ALA107G, ALA115G, ALA155G, ALA157G, ALA53C, ALA70C, ALA86G, ALA91G, ARG101G, ARG116G, ARG195G, ARG26C, ARG75C, ARG85G, ASN105G, ASN109G, ASN110G, ASN113G, ASN114G, ASN123G, ASN74C, ASP104G, ASP106G, ASP10C, ASP117G, ASP72C, CYS119G, CYS13C, CYS37C, CYS77C, GLN23C, GLN24C, GLN36C, GLN68C, GLN93G, GLU28C, GLU52C, GLU55C, GLU78C, GLU82G, GLY118G, GLY69C, ILE111G, ILE112G, ILE124G, ILE125G, ILE190G, ILE44C, ILE73C, LEU100G, LEU103G, LEU108G, LEU122G, LEU127G, LEU133G, LEU18C, LEU19C, LEU22C, LEU25C, LEU33C, LEU40C, LEU60C, LEU61C, LEU64C, LEU65C, LEU76C, LEU96G, LYS102G, LYS12C, LYS32C, LYS56C, LYS7C, LYS84G, LYS87G, MET134G, MET57C, MET67C, MET8C, MET92G, MET95G, MET99G, PHE54C, PHE97G, PRO121G, PRO126G, PRO138G, PRO188G, SER156G, SER15C, SER20C, SER59C, SER62C, SER66C, SER6C, SER81G, SER90G, SER9C, THR128G, THR14C, THR50C, THR51C, THR89G, THR94G, THR98G, TRP159G, TRP34C, TYR154G, VAL11C, VAL120G, VAL135G, VAL136G, VAL137G, VAL16C, VAL17C, VAL21C, VAL27C, VAL58C, VAL63C, VAL71C, VAL88G
• C-H: ALA35C, ALA47C, ALA53C, ALA68H, ALA71H, ALA79H, ARG26C, ARG62H, ARG80H, ASN42C, ASP43C, ASP49C, ASP69H, ASP83H, CYS37C, GLN36C, GLN39C, GLN61H, GLN68C, GLN70H, GLN74H, GLN78H, GLU10H, GLU52C, GLU55C, GLU65H, GLY69C, ILE44C, LEU14H, LEU22C, LEU25C, LEU33C, LEU40C, LEU46C, LEU64C, LEU64H, LEU65C, LYS32C, LYS48C, LYS56C, LYS63H, LYS66H, MET60H, MET67C, MET67H, MET72H, MET75H, PHE11H, PRO15H, SER12H, SER13H, SER29C, SER30C, SER31C, SER59C, SER62C, SER66C, SER9H, THR51C, THR73H, TRP34C, TYR76H, VAL27C, VAL38C, VAL63C
• D-E: ALA35D, ALA47D, ALA86E, ALA91E, ARG101E, ARG80E, ARG85E, ASN42D, ASP104E, ASP10D, ASP43D, ASP83E, CYS13D, GLN39D, GLN93E, GLY1D, GLY4D, HIS41D, ILE44D, LEU103E, LEU19D, LEU3D, LEU45D, LEU46D, LEU96E, LYS102E, LYS12D, LYS48D, LYS84E, LYS87E, MET8D, MET92E, MET95E, MET99E, PRO2D, SER15D, SER20D, SER81E, SER90E, SER9D, THR14D, THR89E, THR94E, THR98E, VAL11D, VAL16D, VAL17D, VAL38D, VAL88E
• D-G: ALA35D, ALA47D, ALA68G, ALA70D, ALA71G, ALA79G, ARG26D, ARG62G, ARG80G, ASN42D, ASP43D, ASP49D, ASP69G, ASP83G, CYS37D, GLN36D, GLN39D, GLN61G, GLN68D, GLN70G, GLN74G, GLN78G, GLU10G, GLU52D, GLU55D, GLU65G, GLU82G, GLY69D, ILE44D, LEU14G, LEU22D, LEU25D, LEU33D, LEU40D, LEU46D, LEU60D, LEU61D, LEU64D, LEU64G, LEU65D, LYS32D, LYS48D, LYS56D, LYS63G, LYS66G, MET60G, MET67D, MET67G, MET72G, MET75G, PHE11G, PRO15G, SER12G, SER13G, SER29D, SER30D, SER31D, SER59D, SER62D, SER66D, SER9G, THR73G, TRP34D, TYR76G, VAL27D, VAL63D
• D-H: ALA107H, ALA115H, ALA155H, ALA157H, ALA53D, ALA70D, ALA86H, ALA91H, ARG101H, ARG116H, ARG195H, ARG26D, ARG75D, ARG85H, ASN105H, ASN109H, ASN110H, ASN113H, ASN114H, ASN123H, ASN74D, ASP104H, ASP106H, ASP10D, ASP117H, ASP72D, CYS119H, CYS13D, CYS37D, GLN23D, GLN24D, GLN36D, GLN68D, GLN93H, GLU52D, GLU55D, GLU82H, GLY118H, GLY69D, ILE111H, ILE112H, ILE124H, ILE125H, ILE44D, ILE73D, LEU100H, LEU103H, LEU108H, LEU122H, LEU127H, LEU133H, LEU18D, LEU19D, LEU22D, LEU25D, LEU33D, LEU40D, LEU60D, LEU61D, LEU64D, LEU65D, LEU76D, LEU96H, LYS102H, LYS12D, LYS32D, LYS56D, LYS7D, LYS84H, LYS87H, MET134H, MET57D, MET67D, MET8D, MET92H, MET95H, MET99H, PHE54D, PHE97H, PRO121H, PRO126H, PRO138H, PRO188H, SER156H, SER15D, SER20D, SER59D, SER62D, SER66D, SER6D, SER90H, SER9D, THR128H, THR14D, THR50D, THR51D, THR89H, THR94H, THR98H, TRP159H, TRP34D, TYR154H, VAL11D, VAL120H, VAL135H, VAL136H, VAL137H, VAL16D, VAL17D, VAL21D, VAL27D, VAL58D, VAL63D, VAL71D, VAL88H
• E-G: ALA18G, ALA58G, ALA59G, ALA68E, ALA71E, ARG56G, ARG62G, ARG80E, ARG85E, ASP55G, ASP57G, ASP69E, ASP83E, GLN61G, GLN70E, GLN70G, GLN74E, GLN78E, GLU53G, GLU65E, ILE7G, LEU14G, LEU47E, LEU64G, LYS51G, LYS63G, LYS66E, LYS66G, LYS77E, LYS84E, LYS87E, MET60G, MET67G, MET72E, MET75E, PHE54G, PRO15G, SER13G, SER16G, SER52G, SER81E, THR73E, TYR76E
• E-H: ALA130H, ALA131H, ALA193H, ALA196H, ARG195H, ARG62E, ASN150H, ASN197H, ASN48E, GLN162H, GLN163H, GLU160H, ILE161H, LEU158H, LEU194H, LEU43E, LEU47E, LYS132H, LYS44E, LYS45E, MET95E, MET95H, MET99E, MET99H, SER46E, THR128H, THR129H, THR151H, THR192H, TRP159H, VAL49E
• F-G: ARG62F, LYS132G, MET95F, MET95G, MET99F, MET99G
• F-H: ALA58H, ALA59H, ALA68F, ALA71F, ALA79F, ARG56H, ARG62F, ARG62H, ARG80F, ASP55H, ASP57H, ASP69F, GLN61H, GLN70F, GLN70H, GLN74F, GLN78F, GLU53H, GLU65F, GLU82F, LEU14H, LEU64H, LYS51H, LYS63H, LYS66F, LYS66H, LYS77F, LYS84F, MET60H, MET67H, MET72F, MET75F, PHE54H, PRO15H, SER12H, SER13H, SER16H, SER52H, SER81F, THR73F, TYR76F
• G-H: ALA131G, ALA167G, ALA167H, ALA68G, ALA68H, ALA71G, ALA71H, ALA8G, ALA8H, ARG195G, ARG195H, ARG62G, ARG62H, ARG80G, ARG80H, ASN123G, ASN123H, ASN197H, ASP69G, ASP69H, GLN61H, GLN70G, GLN70H, GLN74G, GLU10G, GLU10H, GLU65G, GLU65H, ILE124G, ILE124H, ILE125G, ILE125H, ILE190G, ILE190H, ILE7G, ILE7H, LEU122G, LEU122H, LEU127G, LEU127H, LEU133G, LEU133H, LEU189H, LEU64G, LEU64H, LYS132G, LYS132H, LYS66G, LYS66H, LYS77G, LYS77H, MET134G, MET134H, MET67G, MET67H, MET72G, MET72H, MET75G, MET75H, PHE11G, PHE11H, PRO121G, PRO121H, PRO126G, PRO126H, PRO188G, PRO188H, SER169G, SER169H, SER9H, THR128G, THR128H, THR129G, THR129H, THR73G, THR73H, TYR76G, TYR76H, VAL120G, VAL120H, VAL135H, VAL136G, VAL136H, VAL137H