2RHB

crystal structure of nsp15-h234a mutant- hexamer in asymmetric unit

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 118
  • Norm. En. per Res.: -2.9181
• 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	-42.2156	-13.6181	-262.1	-317.9338	123	8	9	11276	3	31	39
A-C	-57.9756	-6.8423	-264.584	-329.402	121	12	10	11201	2	31	39
A-D	0.0	0.0	-1.1459	-1.1459	16	0	0	242	0	0	0
A-E	-49.1436	18.8225	-199.143	-229.4641	82	14	5	7988	0	8	14
A-F	0.0	0.0	-1.0349	-1.0349	4	0	0	107	0	0	0
B-C	-56.2961	-7.8392	-255.057	-319.1922	122	11	10	11147	1	29	39
B-D	-51.7476	2.3124	-180.991	-230.4262	85	18	4	7741	0	10	18
B-E	0.0	0.0	-0.7539	-0.7539	4	0	0	103	0	0	0
B-F	0.0	0.0	-0.9881	-0.9881	16	0	0	226	0	0	0
C-D	0.0	0.0	-0.8057	-0.8057	4	0	0	94	0	0	0
C-E	0.0	0.0	-0.7157	-0.7157	14	0	0	186	0	0	0
C-F	-58.5044	10.7128	-170.975	-218.7666	78	22	4	7430	0	4	13
D-E	-51.7361	-0.2169	-250.135	-302.088	119	12	8	11064	2	32	38
D-F	-57.7304	-18.316	-268.293	-344.3395	118	11	8	11186	3	30	40
E-F	-45.3008	-16.0904	-248.58	-309.9711	119	10	9	10885	4	30	39

Interface residues

• A-B: ALA22B, ALA283A, ALA30B, ALA59B, ALA6B, ALA92A, ALA94A, ARG257A, ARG61B, ARG90A, ASN11B, ASN163B, ASN277A, ASN28B, ASN29A, ASN45A, ASN62B, ASN73A, ASN74A, ASN8B, ASP16B, ASP202B, ASP239A, ASP260A, ASP267A, ASP272A, ASP282A, ASP36B, ASP39B, ASP78A, ASP87A, CYS290A, CYS292A, GLN244A, GLN284A, GLU170B, GLU266A, GLU41B, GLU44A, GLU44B, GLU91A, GLU91B, GLY13B, GLY164B, GLY169B, GLY243A, GLY286A, GLY37B, GLY76A, HIS14B, HIS242A, HIS95A, ILE168B, ILE269A, ILE26B, ILE27B, ILE280A, ILE38B, ILE42B, ILE63B, ILE69A, LEU167B, LEU245A, LEU263A, LEU265A, LEU49A, LYS12B, LYS173B, LYS204B, LYS264A, LYS276A, LYS289A, LYS34B, LYS46A, LYS46B, LYS64B, LYS89A, MET271A, PHE15B, PHE240A, PHE268A, PHE279A, PHE43B, PHE55B, PRO262A, PRO270A, PRO50A, PRO65B, PRO93A, SER161B, SER171B, SER241A, SER25B, SER261A, SER273A, SER287A, SER288A, SER97A, THR166B, THR174B, THR281A, THR285A, THR33B, THR47A, THR48A, TRP58B, TRP86B, TYR278A, TYR32B, TYR7B, TYR88B, VAL10B, VAL162B, VAL165B, VAL172B, VAL291A, VAL31B, VAL35B, VAL40B, VAL51A, VAL77A, VAL96A, VAL9B
• A-C: ALA283C, ALA30A, ALA59A, ALA92C, ALA94C, ARG257C, ARG61A, ARG90C, ASN11A, ASN163A, ASN277C, ASN28A, ASN28C, ASN29A, ASN29C, ASN45C, ASN62A, ASN73C, ASN74C, ASN8A, ASP16A, ASP202A, ASP239C, ASP267C, ASP272C, ASP282C, ASP36A, ASP39A, ASP78C, ASP87C, CYS290C, CYS292C, GLN244C, GLN284C, GLU170A, GLU266C, GLU41A, GLU44A, GLU44C, GLU91C, GLY13A, GLY164A, GLY169A, GLY243C, GLY286C, GLY37A, GLY76C, HIS14A, HIS242C, HIS95C, ILE168A, ILE269C, ILE26A, ILE27A, ILE280C, ILE38A, ILE42A, ILE63A, ILE69C, LEU167A, LEU245C, LEU263C, LEU265C, LEU49C, LEU72C, LYS12A, LYS173A, LYS264C, LYS276C, LYS289C, LYS344C, LYS34A, LYS46A, LYS46C, LYS64A, LYS89C, MET271C, PHE15A, PHE240C, PHE268C, PHE279C, PHE43A, PHE55A, PRO262C, PRO270C, PRO50C, PRO65A, PRO93C, SER161A, SER171A, SER241C, SER25A, SER273C, SER287C, SER288C, SER97C, THR166A, THR174A, THR281C, THR285C, THR33A, THR47C, THR48C, TRP58A, TRP86A, TYR278C, TYR32A, TYR7A, TYR88A, VAL10A, VAL162A, VAL165A, VAL172A, VAL291C, VAL31A, VAL35A, VAL40A, VAL51C, VAL77C, VAL96C, VAL9A
• A-D: ALA115A, ALA115D, LEU119D, LEU49A, LEU49D, MET104A, PRO50A, PRO50D, SER114A, SER114D, SER117A, SER117D, SER118A, SER118D, THR48A, THR48D
• A-E: ALA19A, ALA22A, ALA22E, ALA30A, ALA30E, ALA54A, ALA54E, ASN28A, ASN28E, ASN29A, ASN29E, ASN45A, ASN45E, ASN4A, ASN4E, ASN52A, ASN52E, ASP106A, ASP106E, ASP39A, ASP39E, CYS102A, CYS102E, GLU21A, GLU21E, GLU3A, GLU3E, GLU56A, GLU56E, GLY20A, GLY20E, GLY37A, HIS-1E, ILE26A, ILE26E, ILE27A, ILE27E, ILE38A, ILE38E, LEU2A, LEU2E, LEU49A, LEU49E, LYS34A, LYS34E, MET0A, MET0E, MET104A, MET104E, PHE55E, PRO23A, PRO23E, PRO50A, PRO50E, SER1A, SER1E, SER25A, SER25E, THR103A, THR103E, THR105A, THR105E, THR33A, THR33E, THR48A, THR48E, TYR32A, TYR32E, VAL24A, VAL24E, VAL31A, VAL31E, VAL35A, VAL35E, VAL40A, VAL40E, VAL51A, VAL51E, VAL53A, VAL53E, VAL5A, VAL5E
• A-F: ASN28A, ASN28F, ILE27A, ILE27F
• B-C: ALA22C, ALA283B, ALA30C, ALA59C, ALA6C, ALA92B, ALA94B, ARG257B, ARG61C, ARG90B, ASN11C, ASN163C, ASN277B, ASN28B, ASN28C, ASN29B, ASN45B, ASN62C, ASN73B, ASN74B, ASN8C, ASP16C, ASP202C, ASP239B, ASP260B, ASP267B, ASP272B, ASP282B, ASP36C, ASP39C, ASP78B, ASP87B, CYS290B, CYS292B, GLN244B, GLN284B, GLU170C, GLU266B, GLU41C, GLU44C, GLU91B, GLY13C, GLY164C, GLY169C, GLY243B, GLY286B, GLY37C, GLY76B, HIS14C, HIS242B, HIS95B, ILE168C, ILE269B, ILE26C, ILE27C, ILE280B, ILE38C, ILE42C, ILE63C, ILE69B, LEU167C, LEU245B, LEU263B, LEU265B, LEU49B, LYS12C, LYS173C, LYS204C, LYS264B, LYS276B, LYS289B, LYS34C, LYS46B, LYS46C, LYS64C, LYS89B, MET271B, PHE15C, PHE240B, PHE268B, PHE279B, PHE43C, PHE55C, PRO262B, PRO270B, PRO50B, PRO65C, PRO93B, SER161C, SER171C, SER241B, SER25C, SER261B, SER273B, SER287B, SER288B, SER97B, THR166C, THR174C, THR281B, THR285B, THR33C, THR47B, THR48B, TRP58C, TRP86C, TYR278B, TYR32C, TYR7C, TYR88C, VAL10C, VAL162C, VAL165C, VAL172C, VAL291B, VAL31C, VAL35C, VAL40C, VAL51B, VAL77B, VAL96B, VAL9C
• B-D: ALA19B, ALA19D, ALA22B, ALA22D, ALA30B, ALA30D, ALA54B, ALA54D, ASN28B, ASN28D, ASN29B, ASN29D, ASN45B, ASN45D, ASN4B, ASN4D, ASN52B, ASN52D, ASP106B, ASP106D, ASP39B, ASP39D, CYS102B, CYS102D, GLU21B, GLU21D, GLU3B, GLU3D, GLU56B, GLU56D, GLY20B, GLY20D, GLY37B, GLY37D, HIS-1B, HIS-1D, ILE26B, ILE26D, ILE27B, ILE27D, ILE38B, ILE38D, LEU2B, LEU2D, LEU49B, LEU49D, LYS34B, LYS34D, MET0B, MET0D, MET104B, MET104D, PHE55B, PRO23B, PRO23D, PRO50B, PRO50D, SER1B, SER1D, SER25B, SER25D, THR103B, THR103D, THR105B, THR105D, THR33B, THR33D, THR48B, THR48D, TYR32B, TYR32D, VAL24B, VAL24D, VAL31B, VAL31D, VAL35B, VAL35D, VAL40B, VAL40D, VAL51B, VAL51D, VAL53B, VAL53D, VAL5B, VAL5D
• B-E: ASN28B, ASN28E, ILE27B, ILE27E
• B-F: ALA115B, ALA115F, LEU119F, LEU49B, LEU49F, MET104B, PRO50B, PRO50F, SER114B, SER114F, SER117B, SER117F, SER118B, SER118F, THR48B, THR48F
• C-D: ASN28C, ASN28D, ILE27C, ILE27D
• C-E: ALA115C, ALA115E, LEU49C, LEU49E, MET104E, PRO50C, PRO50E, SER114C, SER114E, SER117E, SER118C, SER118E, THR48C, THR48E
• C-F: ALA19F, ALA22C, ALA22F, ALA30C, ALA30F, ALA54C, ALA54F, ASN28C, ASN28F, ASN29C, ASN29F, ASN45C, ASN45F, ASN4C, ASN4F, ASN52C, ASN52F, ASP106C, ASP39C, ASP39F, CYS102C, CYS102F, GLU21C, GLU21F, GLU3C, GLU3F, GLU56C, GLU56F, GLY20C, GLY20F, GLY37C, GLY37F, ILE26C, ILE26F, ILE27C, ILE27F, ILE38C, ILE38F, LEU2C, LEU2F, LEU49C, LEU49F, LYS34C, LYS34F, MET0C, MET104C, MET104F, PRO23C, PRO23F, PRO50C, PRO50F, SER1C, SER1F, SER25C, SER25F, THR103C, THR103F, THR105C, THR105F, THR33C, THR33F, THR48C, THR48F, TYR32C, TYR32F, VAL24C, VAL24F, VAL31C, VAL31F, VAL35C, VAL35F, VAL40C, VAL51C, VAL51F, VAL53C, VAL53F, VAL5C, VAL5F
• D-E: ALA283D, ALA30E, ALA59E, ALA92D, ALA94D, ARG257D, ARG61E, ARG90D, ASN11E, ASN163E, ASN277D, ASN28D, ASN28E, ASN29D, ASN45D, ASN62E, ASN73D, ASN74D, ASN8E, ASP16E, ASP202E, ASP239D, ASP260D, ASP267D, ASP272D, ASP282D, ASP36E, ASP39E, ASP78D, ASP87D, CYS290D, CYS292D, GLN244D, GLN284D, GLU170E, GLU266D, GLU41E, GLU44E, GLU91D, GLU91E, GLY13E, GLY164E, GLY169E, GLY243D, GLY286D, GLY37E, GLY76D, HIS14E, HIS242D, HIS95D, ILE168E, ILE269D, ILE26E, ILE27E, ILE280D, ILE38E, ILE42E, ILE63E, ILE69D, LEU167E, LEU245D, LEU263D, LEU265D, LEU49D, LYS12E, LYS173E, LYS204E, LYS264D, LYS276D, LYS289D, LYS34E, LYS46D, LYS46E, LYS64E, LYS89D, MET271D, PHE15E, PHE240D, PHE268D, PHE279D, PHE43E, PRO262D, PRO270D, PRO50D, PRO65E, PRO93D, SER161E, SER171E, SER241D, SER25E, SER261D, SER273D, SER287D, SER288D, SER97D, THR166E, THR174E, THR281D, THR285D, THR33E, THR47D, THR48D, TRP58E, TRP86E, TYR278D, TYR32E, TYR88E, VAL10E, VAL162E, VAL165E, VAL172E, VAL291D, VAL31E, VAL35E, VAL40E, VAL51D, VAL77D, VAL96D, VAL9E
• D-F: ALA283F, ALA30D, ALA59D, ALA6D, ALA92F, ALA94F, ARG257F, ARG61D, ARG90F, ASN11D, ASN163D, ASN277F, ASN28D, ASN29F, ASN45F, ASN62D, ASN73F, ASN74F, ASN8D, ASP16D, ASP202D, ASP239F, ASP260F, ASP267F, ASP272F, ASP282F, ASP36D, ASP39D, ASP78F, ASP87F, CYS290F, CYS292F, GLN244F, GLN284F, GLU170D, GLU266F, GLU41D, GLU44D, GLU91D, GLY13D, GLY164D, GLY169D, GLY243F, GLY286F, GLY37D, GLY76F, HIS14D, HIS242F, HIS95F, ILE168D, ILE269F, ILE26D, ILE27D, ILE280F, ILE38D, ILE42D, ILE63D, ILE69F, LEU167D, LEU245F, LEU263F, LEU265F, LEU49F, LYS12D, LYS173D, LYS204D, LYS264F, LYS276F, LYS289F, LYS344F, LYS34D, LYS46D, LYS46F, LYS64D, LYS89F, MET271F, PHE15D, PHE240F, PHE268F, PHE279F, PHE43D, PRO262F, PRO270F, PRO50F, PRO65D, PRO93F, SER161D, SER171D, SER241F, SER25D, SER261F, SER273F, SER287F, SER288F, SER97F, THR166D, THR174D, THR281F, THR285F, THR33D, THR47F, THR48F, TRP58D, TRP86D, TYR278F, TYR32D, TYR88D, VAL10D, VAL162D, VAL165D, VAL172D, VAL291F, VAL31D, VAL35D, VAL40D, VAL51F, VAL96F, VAL9D
• E-F: ALA22F, ALA283E, ALA30F, ALA6F, ALA92E, ALA94E, ARG257E, ARG61F, ARG90E, ASN11F, ASN163F, ASN277E, ASN28E, ASN28F, ASN29E, ASN45E, ASN62F, ASN73E, ASN74E, ASN8F, ASP16F, ASP202F, ASP239E, ASP260E, ASP267E, ASP272E, ASP282E, ASP36F, ASP39F, ASP78E, ASP87E, CYS290E, GLN244E, GLN284E, GLU170F, GLU266E, GLU41F, GLU44E, GLU44F, GLY13F, GLY164F, GLY169F, GLY243E, GLY286E, GLY37F, GLY76E, HIS14F, HIS242E, HIS95E, ILE168F, ILE269E, ILE26F, ILE27F, ILE280E, ILE38F, ILE42F, ILE63F, ILE69E, LEU167F, LEU245E, LEU263E, LEU265E, LEU49E, LEU72E, LYS12F, LYS173F, LYS204F, LYS264E, LYS276E, LYS289E, LYS34F, LYS46E, LYS46F, LYS64F, LYS89E, MET271E, PHE15F, PHE240E, PHE268E, PHE279E, PHE43F, PHE55F, PRO262E, PRO270E, PRO50E, PRO65F, PRO93E, SER161F, SER171F, SER241E, SER25F, SER273E, SER287E, SER288E, SER97E, THR166F, THR174F, THR281E, THR285E, THR33F, THR47E, THR48E, TRP58F, TRP86F, TYR278E, TYR32F, TYR7F, TYR88F, VAL10F, VAL162F, VAL165F, VAL172F, VAL291E, VAL35F, VAL40F, VAL51E, VAL77E, VAL96E, VAL9F