3MQ6

domain swapped sgrai with dna and calcium bound

• Total interactions analyzed: 120
• Total true interactions: 14
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 156
  • Norm. En. per Res.: -5.725
• 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	-37.261	-10.0875	-306.818	-354.1665	137	7	29	14643	0	42	44
A-C	-29.0872	-45.631	-95.3525	-170.0707	44	6	0	3531	2	18	13
A-G	-32.7251	-52.8726	-78.8021	-164.3998	49	8	0	3292	3	23	22
A-H	-157.6145	-24.3978	-694.156	-876.1683	161	47	17	23129	1	28	33
B-G	-161.7084	-39.6799	-696.352	-897.7403	165	35	17	24182	1	40	37
B-H	-14.7577	-30.4599	-47.38	-92.5977	36	1	0	2109	2	23	23
C-D	-47.0958	-11.2298	-307.323	-365.6486	133	11	29	14508	0	39	39
C-E	-17.8818	-49.5583	-66.7652	-134.2054	47	4	0	2917	3	23	22
C-F	-154.8428	-44.1029	-713.26	-912.2057	167	31	16	24234	2	38	38
D-E	-171.936	-33.4089	-687.754	-893.0989	156	42	16	22944	1	27	32
D-F	-8.3031	-28.3739	-43.0188	-79.6957	35	1	0	2040	2	22	23
E-F	-52.905	-12.9793	-333.308	-399.1923	133	9	27	15061	0	40	42
E-G	-65.3863	-47.2788	-92.6513	-205.3163	42	6	0	3361	2	18	14
G-H	-45.98	-11.6445	-290.03	-347.6545	132	7	27	13835	0	35	41

Interface residues

• A-B: ALA257A, ALA257B, ALA287A, ALA287B, ALA293A, ALA293B, ALA294A, ALA294B, ALA300A, ALA300B, ALA305A, ALA305B, ALA309A, ALA309B, ALA95A, ALA95B, ARG152A, ARG152B, ARG172A, ARG172B, ARG176A, ARG176B, ARG246A, ARG246B, ARG249A, ARG249B, ARG303A, ARG308A, ARG308B, ARG311B, ARG84A, ASN258A, ASN258B, ASN286A, ASN286B, ASN92A, ASN92B, ASP178A, ASP178B, ASP248A, ASP248B, ASP90A, ASP90B, GLN252A, GLN252B, GLN261A, GLN261B, GLU256A, GLU256B, GLU292A, GLU292B, GLU301A, GLU301B, GLY179A, GLY179B, GLY181A, GLY181B, GLY266A, GLY266B, GLY298A, GLY298B, GLY302A, GLY302B, HIS307A, HIS307B, HIS81A, ILE310A, ILE310B, ILE7A, ILE7B, LEU175A, LEU175B, LEU180A, LEU180B, LEU182A, LEU182B, LEU250A, LEU250B, LEU254A, LEU254B, LEU262A, LEU262B, LEU263A, LEU263B, LEU296A, LEU296B, LEU299A, LEU299B, LYS242A, LYS242B, LYS267A, LYS267B, LYS272A, LYS272B, MET260A, MET260B, PHE171A, PHE171B, PHE288A, PHE288B, PRO183A, PRO183B, PRO253A, PRO253B, SER153A, SER153B, SER185A, SER185B, SER247A, SER247B, SER295A, SER295B, SER91A, SER91B, THR184A, THR184B, THR186A, THR186B, THR290A, THR290B, THR77A, THR77B, TYR251A, TYR251B, TYR255A, TYR255B, TYR291A, TYR291B, TYR297A, TYR297B, TYR5B, VAL259A, VAL259B, VAL289A, VAL289B, VAL306A, VAL306B
• A-C: ALA57C, ARG116C, ARG127C, ARG131C, ARG134C, ARG205A, ARG213A, ARG225A, ARG229A, ASN200A, ASN215A, ASP201A, GLN129C, GLN199A, GLN216A, GLU124C, GLU196A, GLU197A, GLU202A, GLU206A, GLU207A, GLY123C, GLY125C, ILE208A, ILE217A, LEU120C, LEU218A, LEU219A, MET203A, PHE198A, PRO130C, PRO135C, PRO139C, PRO195A, PRO214A, SER119C, SER128C, SER133C, THR136C, THR212A, TRP111A, TRP126C, TRP204A, TYR132C
• A-G: ALA75A, ALA75G, ARG70G, ARG84A, ARG84G, ARG88A, ARG88G, ASN74A, ASN74G, ASP85A, ASP85G, ASP86A, ASP86G, ASP90A, GLU73A, GLU73G, GLU78A, GLU78G, GLY69G, GLY79A, GLY79G, HIS81A, HIS81G, ILE7A, ILE7G, LEU37G, LYS94A, LYS94G, PHE82G, PHE83A, PHE83G, PHE87A, PHE87G, PRO71G, SER6G, SER91A, THR4G, THR77A, THR77G, THR80A, THR80G, TYR5A, TYR5G, VAL72A, VAL72G, VAL76A, VAL76G, VAL89A, VAL89G
• A-H: ALA14A, ALA14H, ALA38A, ALA38H, ALA44A, ALA44H, ALA55A, ALA55H, ALA75A, ALA75H, ALA9A, ALA9H, ARG11A, ARG11H, ARG18A, ARG18H, ARG213A, ARG213H, ARG24A, ARG24H, ARG29H, ARG31A, ARG31H, ARG70A, ARG70H, ARG84A, ARG84H, ARG88A, ARG88H, ASN12A, ASN12H, ASN25H, ASN41A, ASN41H, ASN74A, ASN74H, ASP22A, ASP22H, ASP63A, ASP63H, ASP66A, ASP66H, ASP85A, ASP85H, ASP86A, ASP86H, CYS19A, CYS19H, GLN21A, GLN21H, GLN34A, GLN34H, GLN36A, GLN36H, GLN39A, GLN39H, GLN40A, GLN40H, GLU17A, GLU17H, GLU49A, GLU49H, GLU73A, GLU73H, GLU78A, GLU78H, GLU8A, GLU8H, GLY48A, GLY48H, GLY58A, GLY58H, GLY69A, GLY69H, GLY79A, GLY79H, HIS81A, HIS81H, ILE20A, ILE20H, ILE23A, ILE23H, ILE59A, ILE59H, ILE68A, ILE68H, ILE7A, ILE7H, LEU13A, LEU13H, LEU37A, LEU37H, LEU43A, LEU43H, LYS94A, LYS94H, MET42A, MET42H, MET62A, MET62H, PHE35A, PHE35H, PHE3A, PHE3H, PHE47A, PHE47H, PHE82A, PHE82H, PHE83A, PHE83H, PHE87A, PHE87H, PRO2A, PRO2H, PRO52A, PRO52H, PRO71A, PRO71H, SER32A, SER32H, SER56A, SER56H, SER6A, SER6H, THR10A, THR10H, THR15A, THR15H, THR16A, THR16H, THR33A, THR33H, THR46A, THR46H, THR4A, THR4H, THR77A, THR77H, THR80A, THR80H, TYR45A, TYR45H, TYR5A, TYR5H, TYR64A, TYR64H, VAL105A, VAL105H, VAL28H, VAL50A, VAL50H, VAL67A, VAL67H, VAL72A, VAL72H, VAL76A, VAL76H, VAL89A, VAL89H, VAL97A, VAL97H
• B-G: ALA14B, ALA14G, ALA26B, ALA26G, ALA38B, ALA38G, ALA44B, ALA44G, ALA55B, ALA55G, ALA75B, ALA75G, ALA9B, ALA9G, ARG11B, ARG11G, ARG18B, ARG18G, ARG213B, ARG213G, ARG24B, ARG24G, ARG29B, ARG29G, ARG31B, ARG31G, ARG70B, ARG70G, ARG88B, ARG88G, ASN12B, ASN12G, ASN25B, ASN25G, ASN41B, ASN41G, ASN74B, ASN74G, ASP22B, ASP22G, ASP63B, ASP63G, ASP66B, ASP66G, ASP85B, ASP85G, ASP86B, ASP86G, CYS19B, CYS19G, GLN21B, GLN21G, GLN34B, GLN34G, GLN36B, GLN36G, GLN39B, GLN39G, GLN40B, GLN40G, GLU17B, GLU17G, GLU49B, GLU49G, GLU73B, GLU73G, GLU78B, GLU78G, GLU8B, GLU8G, GLY48B, GLY48G, GLY58B, GLY58G, GLY69B, GLY69G, GLY79B, GLY79G, HIS81B, HIS81G, ILE101B, ILE20B, ILE20G, ILE23B, ILE23G, ILE59B, ILE59G, ILE68B, ILE68G, ILE7B, ILE7G, LEU13B, LEU13G, LEU37B, LEU37G, LEU43B, LEU43G, LYS94B, LYS94G, MET42B, MET42G, MET62B, MET62G, PHE35B, PHE35G, PHE3B, PHE3G, PHE47B, PHE47G, PHE82B, PHE82G, PHE83B, PHE83G, PHE87B, PHE87G, PRO27B, PRO27G, PRO2B, PRO2G, PRO52B, PRO52G, PRO71B, PRO71G, SER32B, SER32G, SER56B, SER56G, SER6B, SER6G, THR10B, THR10G, THR15B, THR15G, THR16B, THR16G, THR33B, THR33G, THR46B, THR46G, THR4B, THR4G, THR77B, THR77G, THR80B, THR80G, TYR45B, TYR45G, TYR5B, TYR5G, TYR64B, TYR64G, VAL105B, VAL105G, VAL50B, VAL50G, VAL67B, VAL67G, VAL72B, VAL72G, VAL76B, VAL76G, VAL89B, VAL89G, VAL97B, VAL97G
• B-H: ALA75B, ARG70B, ARG84B, ARG84H, ARG88B, ARG88H, ASN74B, ASP85B, ASP85H, ASP86H, ASP90H, GLU73B, GLU78B, GLY79B, HIS81B, HIS81H, ILE7B, ILE7H, LEU37B, LYS94B, LYS94H, PHE83H, PHE87B, PHE87H, SER91H, THR77B, THR77H, THR80B, THR80H, TYR5B, TYR5H, VAL72B, VAL76B, VAL76H, VAL89B, VAL89H
• C-D: ALA257C, ALA257D, ALA287C, ALA287D, ALA293C, ALA293D, ALA294C, ALA294D, ALA300C, ALA300D, ALA305C, ALA305D, ALA309C, ALA309D, ALA95C, ALA95D, ARG152C, ARG152D, ARG172C, ARG172D, ARG176C, ARG176D, ARG246C, ARG246D, ARG249C, ARG249D, ARG303D, ARG308C, ARG308D, ARG311D, ARG31C, ARG84D, ASN258C, ASN258D, ASN286C, ASN286D, ASN92C, ASN92D, ASP178C, ASP178D, ASP248C, ASP248D, ASP90C, ASP90D, GLN252C, GLN252D, GLN261C, GLN261D, GLU256C, GLU256D, GLU292C, GLU292D, GLU301D, GLY179C, GLY179D, GLY181C, GLY181D, GLY266C, GLY266D, GLY298C, GLY298D, GLY302D, HIS307C, HIS307D, ILE310C, ILE310D, ILE7C, LEU175C, LEU175D, LEU180C, LEU180D, LEU182C, LEU182D, LEU250C, LEU250D, LEU254C, LEU254D, LEU262C, LEU262D, LEU263C, LEU263D, LEU296C, LEU296D, LEU299C, LEU299D, LYS242C, LYS242D, LYS267C, LYS267D, LYS272C, LYS272D, MET260C, MET260D, PHE171C, PHE171D, PHE288C, PHE288D, PRO183C, PRO183D, PRO253C, PRO253D, SER153C, SER153D, SER185C, SER185D, SER247C, SER247D, SER295C, SER295D, SER91C, SER91D, THR184C, THR184D, THR186C, THR186D, THR290C, THR290D, THR77D, TYR251C, TYR251D, TYR255C, TYR255D, TYR291C, TYR291D, TYR297C, TYR297D, TYR5C, VAL259C, VAL259D, VAL289C, VAL289D, VAL306C, VAL306D
• C-E: ALA75C, ALA75E, ARG70C, ARG84C, ARG84E, ARG88C, ARG88E, ASN74C, ASN74E, ASP85C, ASP85E, ASP86C, ASP86E, ASP90E, GLU73C, GLU73E, GLU78C, GLU78E, GLY79C, GLY79E, HIS81C, HIS81E, ILE7C, ILE7E, LEU37C, LYS94C, LYS94E, PHE35C, PHE82C, PHE83C, PHE83E, PHE87C, PHE87E, SER6C, SER91E, THR4C, THR77C, THR77E, THR80C, THR80E, TYR5C, TYR5E, VAL72C, VAL76C, VAL76E, VAL89C, VAL89E
• C-F: ALA14C, ALA14F, ALA26C, ALA26F, ALA38C, ALA38F, ALA44C, ALA44F, ALA55C, ALA55F, ALA75C, ALA75F, ALA9C, ALA9F, ARG11C, ARG11F, ARG18C, ARG18F, ARG213C, ARG213F, ARG24C, ARG24F, ARG29C, ARG29F, ARG31C, ARG31F, ARG70C, ARG70F, ARG84C, ARG84F, ARG88C, ARG88F, ASN12C, ASN12F, ASN25C, ASN25F, ASN41C, ASN41F, ASN74C, ASN74F, ASP22C, ASP22F, ASP63C, ASP63F, ASP66C, ASP66F, ASP85C, ASP85F, ASP86C, ASP86F, CYS19C, CYS19F, GLN21C, GLN21F, GLN34C, GLN34F, GLN36C, GLN36F, GLN39C, GLN39F, GLN40C, GLN40F, GLU17C, GLU17F, GLU49C, GLU49F, GLU73C, GLU73F, GLU78C, GLU78F, GLU8C, GLU8F, GLY48C, GLY48F, GLY58C, GLY58F, GLY69C, GLY69F, GLY79C, GLY79F, HIS81C, HIS81F, ILE101F, ILE20C, ILE20F, ILE23C, ILE23F, ILE59C, ILE59F, ILE68C, ILE68F, ILE7C, ILE7F, LEU13C, LEU13F, LEU37C, LEU37F, LEU43C, LEU43F, LYS94C, LYS94F, MET42C, MET42F, MET62C, MET62F, PHE35C, PHE35F, PHE3C, PHE3F, PHE47C, PHE47F, PHE82C, PHE82F, PHE83C, PHE83F, PHE87C, PHE87F, PRO27C, PRO27F, PRO2C, PRO2F, PRO52C, PRO52F, PRO71C, PRO71F, SER32C, SER32F, SER56C, SER56F, SER6C, SER6F, THR10C, THR10F, THR15C, THR15F, THR16C, THR16F, THR33C, THR33F, THR46C, THR46F, THR4C, THR4F, THR77C, THR77F, THR80C, THR80F, TYR45C, TYR45F, TYR5C, TYR5F, TYR64C, TYR64F, VAL105C, VAL105F, VAL50C, VAL50F, VAL67C, VAL67F, VAL72C, VAL72F, VAL76C, VAL76F, VAL89C, VAL89F, VAL97C, VAL97F
• D-E: ALA14D, ALA14E, ALA38D, ALA38E, ALA44D, ALA44E, ALA55D, ALA55E, ALA75D, ALA75E, ALA9D, ALA9E, ARG11D, ARG11E, ARG18D, ARG18E, ARG213D, ARG213E, ARG24D, ARG24E, ARG31D, ARG31E, ARG70D, ARG70E, ARG84E, ARG88D, ARG88E, ASN12D, ASN12E, ASN25E, ASN41D, ASN41E, ASN74D, ASN74E, ASP22D, ASP22E, ASP63D, ASP63E, ASP66D, ASP66E, ASP85E, ASP86D, ASP86E, CYS19D, CYS19E, GLN21D, GLN21E, GLN34D, GLN34E, GLN36D, GLN36E, GLN39D, GLN39E, GLN40D, GLN40E, GLU17D, GLU17E, GLU49D, GLU49E, GLU73D, GLU73E, GLU78D, GLU78E, GLU8D, GLU8E, GLY48D, GLY48E, GLY58D, GLY58E, GLY69D, GLY69E, GLY79D, GLY79E, HIS81D, HIS81E, ILE20D, ILE20E, ILE23D, ILE23E, ILE59D, ILE59E, ILE68D, ILE68E, ILE7D, ILE7E, LEU13D, LEU13E, LEU37D, LEU37E, LEU43D, LEU43E, LYS94E, MET42D, MET42E, MET62D, MET62E, PHE35D, PHE35E, PHE3D, PHE3E, PHE47D, PHE47E, PHE82D, PHE82E, PHE83D, PHE83E, PHE87D, PHE87E, PRO2D, PRO2E, PRO52D, PRO52E, PRO71D, PRO71E, SER32D, SER32E, SER56D, SER56E, SER6D, SER6E, THR10D, THR10E, THR15D, THR15E, THR16D, THR16E, THR33D, THR33E, THR46D, THR46E, THR4D, THR4E, THR77D, THR77E, THR80D, THR80E, TYR45D, TYR45E, TYR5D, TYR5E, TYR64D, TYR64E, VAL105D, VAL105E, VAL50D, VAL50E, VAL67D, VAL67E, VAL72D, VAL72E, VAL76D, VAL76E, VAL89D, VAL89E, VAL97D, VAL97E
• D-F: ALA75F, ARG70F, ARG84D, ARG84F, ARG88D, ARG88F, ASN74F, ASP85D, ASP85F, ASP86D, ASP90D, GLU73F, GLU78F, GLY79F, HIS81D, HIS81F, ILE7D, ILE7F, LEU37F, LYS94D, LYS94F, PHE83D, PHE87D, PHE87F, SER91D, THR77D, THR77F, THR80D, THR80F, TYR5F, VAL72F, VAL76D, VAL76F, VAL89D, VAL89F
• E-F: ALA257E, ALA257F, ALA287E, ALA287F, ALA293E, ALA293F, ALA294E, ALA294F, ALA300E, ALA300F, ALA305E, ALA305F, ALA309E, ALA309F, ALA95E, ALA95F, ARG152E, ARG152F, ARG172E, ARG172F, ARG176E, ARG176F, ARG246E, ARG246F, ARG249E, ARG249F, ARG303E, ARG308E, ARG308F, ARG31F, ARG84E, ASN258E, ASN258F, ASN286E, ASN286F, ASN92E, ASN92F, ASP178E, ASP178F, ASP248E, ASP248F, ASP90E, ASP90F, GLN252E, GLN252F, GLN261E, GLN261F, GLU256E, GLU256F, GLU292E, GLU292F, GLU301E, GLU301F, GLY174F, GLY179E, GLY179F, GLY181E, GLY181F, GLY266E, GLY266F, GLY298E, GLY298F, GLY302E, GLY302F, HIS307E, HIS307F, ILE310E, ILE310F, LEU175E, LEU175F, LEU180E, LEU180F, LEU182E, LEU182F, LEU250E, LEU250F, LEU254E, LEU254F, LEU262E, LEU262F, LEU263E, LEU263F, LEU296E, LEU296F, LEU299E, LEU299F, LYS242E, LYS242F, LYS267E, LYS267F, LYS272F, MET260E, MET260F, PHE171E, PHE171F, PHE288E, PHE288F, PRO183E, PRO183F, PRO253E, PRO253F, SER153E, SER153F, SER185E, SER185F, SER247E, SER247F, SER295E, SER295F, SER304F, SER91E, SER91F, THR184E, THR184F, THR186E, THR186F, THR290E, THR290F, TYR251E, TYR251F, TYR255E, TYR255F, TYR291E, TYR291F, TYR297E, TYR297F, TYR5F, VAL259E, VAL259F, VAL289E, VAL289F, VAL306E, VAL306F
• E-G: ALA57G, ARG116G, ARG127G, ARG131G, ARG134G, ARG205E, ARG213E, ARG225E, ARG229E, ASN200E, ASN215E, ASP201E, GLN129G, GLN199E, GLN216E, GLU124G, GLU196E, GLU197E, GLU202E, GLU206E, GLY123G, GLY125G, ILE208E, ILE217E, LEU120G, LEU218E, LEU219E, MET203E, PHE198E, PRO130G, PRO135G, PRO139G, PRO195E, PRO214E, SER119G, SER128G, SER133G, THR136G, TRP111E, TRP126G, TRP204E, TYR132G
• G-H: ALA257G, ALA257H, ALA287G, ALA287H, ALA293G, ALA293H, ALA294G, ALA294H, ALA300G, ALA300H, ALA305H, ALA309G, ALA309H, ALA95G, ALA95H, ARG152G, ARG152H, ARG172G, ARG172H, ARG176G, ARG176H, ARG246G, ARG246H, ARG249G, ARG249H, ARG308G, ARG308H, ARG31G, ARG31H, ARG84H, ASN258G, ASN258H, ASN286G, ASN286H, ASN92G, ASN92H, ASP178G, ASP178H, ASP248G, ASP248H, ASP90G, ASP90H, GLN252G, GLN252H, GLN261G, GLN261H, GLU256G, GLU256H, GLU292G, GLU292H, GLU301G, GLU301H, GLY174G, GLY179G, GLY179H, GLY181G, GLY181H, GLY266G, GLY298G, GLY298H, GLY302G, HIS307G, HIS307H, ILE310G, ILE310H, ILE7G, LEU175G, LEU175H, LEU180G, LEU180H, LEU182G, LEU182H, LEU250G, LEU250H, LEU254G, LEU254H, LEU262G, LEU262H, LEU263G, LEU263H, LEU296G, LEU296H, LEU299G, LEU299H, LYS242G, LYS242H, LYS267G, LYS267H, LYS272G, LYS272H, MET260G, MET260H, PHE171G, PHE171H, PHE288G, PHE288H, PRO183G, PRO183H, PRO253G, PRO253H, SER153G, SER153H, SER185G, SER185H, SER247G, SER247H, SER295G, SER295H, SER91G, SER91H, THR184G, THR184H, THR186G, THR186H, THR290G, THR290H, THR77H, TYR251G, TYR251H, TYR255G, TYR255H, TYR291G, TYR291H, TYR297G, TYR297H, TYR5G, VAL259G, VAL259H, VAL289G, VAL289H, VAL306G, VAL306H