2Y7C

atomic model of the ocr-bound methylase complex from the type i restriction-modification enzyme ecoki (m2s1). based on fitting into em map 1534.

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 79
  • Norm. En. per Res.: -2.4516
• 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	0.0	0.0	-2.3525	-2.3525	17	0	0	292	0	0	1
A-C	-2.5627	0.6496	-10.4785	-12.3916	18	0	0	535	0	3	3
A-D	0.0	-11.2944	-77.3855	-88.6799	71	8	0	3448	1	23	18
A-E	-7.3007	-23.5411	-45.5178	-76.3596	55	9	0	3223	1	32	21
B-C	0.0	10.9298	-56.9055	-45.9757	44	6	0	2376	0	10	14
B-D	-9.7714	-0.2254	-173.193	-183.1898	77	17	1	6013	2	21	20
B-E	0.0	-3.4877	-11.7531	-15.2408	14	1	0	552	0	2	1
C-D	0.0	-1.3776	-18.0899	-19.4675	18	3	0	685	0	3	2
C-E	-4.3306	-3.3409	-186.005	-193.6765	79	23	1	6642	1	22	23
D-E	0.0	-6.5581	-121.55	-128.1081	60	6	15	5418	0	10	16

Interface residues

• A-B: ALA140A, ALA142A, ALA458B, ARG326B, ASN143A, ASN145A, ASP323B, GLY141A, GLY318B, GLY319B, LEU138A, LYS320B, LYS459B, SER139A, SER460B, THR322B, THR457B
• A-C: ALA458C, ARG326C, ARG456C, ASN349A, GLU433C, GLY318C, GLY319C, LYS352A, LYS436C, LYS459C, MET348A, SER355A, SER460C, THR322C, THR353A, THR354A, THR457C, TRP454C
• A-D: ALA106A, ALA140A, ALA142A, ALA32D, ALA36D, ALA37D, ALA46A, ARG45A, ASN143A, ASN145A, ASN146A, ASN17D, ASN39D, ASN47A, ASN48A, ASN51A, ASP21D, ASP25D, ASP27D, ASP28D, ASP31D, ASP38D, ASP58A, ASP63D, ASP69D, GLN31A, GLN50A, GLU30A, GLU62D, GLU69A, GLU83D, GLU91D, GLU94D, GLY105A, GLY141A, GLY65D, GLY85A, HIS30D, HIS34D, ILE144A, ILE147A, ILE18D, ILE23D, ILE33D, ILE49A, ILE87D, LEU14D, LEU29D, LEU59A, LEU66D, LYS148A, LYS29A, MET35D, MET67D, MET82A, PHE104A, PHE107A, PRO68D, SER64D, SER70A, SER83A, SER84A, SER86A, THR26A, THR26D, THR86D, TRP90D, TYR20D, TYR27A, TYR82D, VAL25A
• A-E: ALA260A, ALA32E, ARG236A, ARG254A, ARG259A, ARG292A, ASN17E, ASN237A, ASN294A, ASP21E, ASP25E, ASP27E, ASP28E, ASP318A, ASP31E, ASP38E, ASP63E, ASP69E, GLN357A, GLU234A, GLU62E, GLU83E, GLU94E, GLY295A, GLY356A, GLY359A, GLY65E, HIS30E, HIS34E, ILE255A, ILE87E, LEU235A, LEU239A, LEU297A, LEU29E, LEU66E, LYS319A, LYS358A, MET35E, MET67E, PRO68E, SER241A, SER256A, SER257A, SER296A, SER355A, SER64E, THR26E, THR353A, THR354A, THR70E, THR86E, TRP90E, TYR293A, TYR82E
• B-C: ARG62B, ARG62C, ARG72B, ARG72C, ASN92B, ASN92C, GLN65B, GLN65C, GLN69B, GLN69C, GLU66B, GLU66C, GLU80B, GLU80C, GLY64B, GLY64C, GLY79B, GLY79C, HIS77B, HIS77C, HIS91B, HIS91C, LEU68B, LEU68C, LEU75B, LEU75C, LYS73B, LYS73C, PHE70B, PHE70C, PRO100B, PRO100C, PRO219B, PRO219C, SER94B, SER94C, THR98B, THR98C, TYR54B, TYR54C, VAL76B, VAL76C, VAL93B, VAL93C
• B-D: ALA10D, ALA272B, ALA273B, ALA347B, ALA36D, ALA37D, ALA40D, ALA46D, ARG19D, ARG325B, ARG75D, ASN17D, ASN276B, ASN287B, ASN313B, ASN39D, ASN5D, ASP21D, ASP312B, ASP323B, ASP38D, ASP47D, ASP8D, GLN148B, GLN289B, GLN348B, GLN78D, GLU12D, GLU16D, GLU317B, GLY270B, GLY274B, GLY318B, GLY319B, GLY321B, GLY349B, HIS283B, HIS43D, HIS9D, ILE277B, ILE324B, LEU14D, LEU290B, LYS288B, LYS320B, LYS351B, MET13D, MET1D, MET35D, PHE269B, PHE281B, PHE316B, PHE7D, PRO268B, PRO284B, PRO311B, PRO42D, SER271B, SER286B, THR275B, THR280B, THR285B, THR2D, THR322B, THR342B, THR352B, TYR11D, TYR20D, TYR44D, TYR45D, VAL282B, VAL310B, VAL314B, VAL350B, VAL41D, VAL51D, VAL6D
• B-E: ASN4E, ASP58E, ASP8E, GLN348B, GLU55E, GLY349B, GLY56E, LYS143B, PHE7E, SER144B, THR142B, THR2E, TYR346B, TYR3E
• C-D: ASN4D, ASP58D, ASP8D, GLN348C, GLU141C, GLU55D, GLU60D, GLY145C, GLY349C, GLY56D, LYS143C, PHE7D, SER144C, SER54D, THR142C, THR2D, TYR346C, TYR3D
• C-E: ALA10E, ALA272C, ALA273C, ALA32E, ALA347C, ALA36E, ALA37E, ALA40E, ALA46E, ARG19E, ARG325C, ARG75E, ASN17E, ASN287C, ASN313C, ASN39E, ASN4E, ASN5E, ASP312C, ASP323C, ASP38E, ASP47E, ASP8E, CYS291C, GLN148C, GLN289C, GLN348C, GLN78E, GLU12E, GLU16E, GLU317C, GLY270C, GLY274C, GLY318C, GLY319C, GLY321C, GLY349C, HIS283C, HIS43E, HIS9E, ILE277C, ILE324C, LEU14E, LEU290C, LYS15E, LYS288C, LYS320C, LYS351C, MET13E, MET1E, MET35E, PHE269C, PHE281C, PHE316C, PHE49E, PHE7E, PRO268C, PRO284C, PRO311C, PRO42E, SER271C, SER286C, THR275C, THR285C, THR2E, THR322C, THR342C, THR352C, TYR11E, TYR20E, TYR44E, TYR45E, VAL282C, VAL310C, VAL314C, VAL350C, VAL41E, VAL51E, VAL6E
• D-E: ALA46D, ALA46E, ALA53D, ALA53E, ARG75D, ARG75E, ARG80D, ARG80E, ASP47D, ASP47E, ASP58D, ASP58E, ASP69D, ASP69E, ASP72D, ASP72E, GLU55D, GLU55E, GLU60D, GLU60E, ILE48D, ILE48E, ILE57D, ILE57E, ILE74D, ILE74E, ILE76D, ILE76E, LEU59D, LEU59E, LEU77D, LEU77E, LYS71D, LYS71E, MET1D, MET1E, MET52D, MET52E, MET67D, MET67E, PHE49D, PHE49E, PHE61D, PHE61E, PRO68D, PRO68E, SER50D, SER50E, SER54D, SER54E, SER64D, SER64E, THR70D, THR70E, TYR45D, TYR45E, VAL51D, VAL51E, VAL73D, VAL73E