2Z2S

crystal structure of rhodobacter sphaeroides sige in complex with the anti-sigma chrr

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 51
  • Norm. En. per Res.: -4.5047
• Hub Node: C(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	-75.9634	-143.4053	-627.314	-846.6827	188	34	23	26780	11	68	46
A-G	-22.2978	-55.6606	-87.1072	-165.0656	57	12	0	4400	8	26	24
A-H	-9.4223	-7.6828	-68.2373	-85.3424	60	8	0	3409	0	25	22
B-D	0.0	0.0	-0.2561	-0.2561	6	0	1	68	0	0	0
B-G	0.0	0.0	-0.618	-0.618	5	0	0	85	0	5	8
B-H	0.0	0.0	-0.8704	-0.8704	14	0	0	148	0	6	3
C-D	-90.9611	-126.909	-623.519	-841.389	192	46	26	26950	10	65	40
C-E	-18.5973	-81.9005	-64.1584	-164.6562	57	12	0	4027	6	25	24
C-F	-6.8356	-30.1114	-56.2706	-93.2176	58	13	0	3553	1	25	20
C-H	0.0	0.0	-0.0024	-0.0024	2	0	0	1	0	1	0
D-E	0.0	0.0	-1.1296	-1.1296	5	0	0	107	0	6	6
D-F	0.0	0.0	-1.4912	-1.4912	15	0	0	178	0	6	2
E-F	-45.7222	-146.3664	-514.882	-706.9706	176	57	21	24418	9	60	40
E-G	-28.6118	-56.9525	-144.176	-229.7403	51	3	3	4707	6	24	26
E-H	0.0	6.5064	-3.6263	2.8801	11	0	0	302	0	2	2
F-G	0.0	6.88	-4.3046	2.5753	11	0	0	288	0	2	2
F-H	0.0	0.0	-12.8674	-12.8674	22	0	3	669	0	0	2
G-H	-48.5325	-158.5729	-536.882	-743.9875	180	45	22	24276	10	61	39

Interface residues

• A-B: ALA124A, ALA125B, ALA131A, ALA139A, ALA144A, ALA14B, ALA16B, ALA172A, ALA17B, ALA23B, ALA24A, ALA27A, ALA29B, ALA34A, ALA40B, ALA42B, ALA44B, ALA47B, ALA48A, ALA51A, ALA55A, ALA57B, ALA60A, ALA60B, ALA67B, ALA71B, ALA74A, ALA77A, ALA84A, ALA90B, ALA92B, ALA95B, ARG128A, ARG132A, ARG138A, ARG143A, ARG168A, ARG170A, ARG177A, ARG21A, ARG39B, ARG41B, ARG73A, ARG75B, ARG85A, ARG87A, ARG93A, ARG96A, ASN123A, ASN86A, ASP102A, ASP148A, ASP174A, ASP36B, ASP46B, ASP57A, ASP74B, ASP90A, ASP95A, ASP96B, ASP9B, CYS35B, CYS38B, CYS54A, GLN137A, GLN31A, GLN56A, GLN64A, GLN72B, GLN97A, GLU101A, GLU122A, GLU124B, GLU142A, GLU22B, GLU23A, GLU28A, GLU37B, GLU52A, GLU53A, GLU54B, GLU55B, GLU63B, GLU99A, GLY122B, GLY123B, GLY127A, GLY147A, GLY163A, GLY18B, GLY39A, GLY43B, GLY49B, GLY50B, GLY64B, GLY91A, HIS20A, HIS31B, HIS32A, ILE130A, ILE141A, ILE165A, ILE169A, ILE17A, ILE80A, ILE89A, LEU103A, LEU119B, LEU11B, LEU126A, LEU12B, LEU133A, LEU140A, LEU160A, LEU162A, LEU171A, LEU173A, LEU176A, LEU20B, LEU26B, LEU29A, LEU32B, LEU34B, LEU41A, LEU45B, LEU52B, LEU61B, LEU66B, LEU73B, LEU92A, LEU94B, LYS166A, LYS36A, LYS38A, LYS43A, LYS94A, PHE145A, PHE146A, PHE24B, PHE26A, PHE30A, PHE33A, PHE40A, PHE81A, PRO100A, PRO120B, PRO161A, PRO35A, PRO58B, PRO88B, PRO91B, PRO93B, PRO98A, SER167A, SER21B, SER25B, SER33B, SER44A, SER49A, SER51B, SER62B, SER65B, SER68B, SER75A, THR121B, THR13B, THR164A, THR19B, THR30B, THR56B, THR61A, THR78A, THR82A, THR8A, TRP10A, TRP63A, TRP79A, TYR15B, TYR97B, VAL27B, VAL28B, VAL37A, VAL48B, VAL58A, VAL59B, VAL62A, VAL69B, VAL76A
• A-G: ALA124A, ALA129A, ALA172A, ALA48G, ALA55G, ALA60G, ALA84G, ARG125A, ARG128A, ARG132A, ARG168A, ARG170A, ARG175A, ARG87G, ARG88G, ARG96G, ASN86G, ASP57G, ASP95G, CYS54G, GLN121A, GLN137A, GLN50G, GLN56G, GLN64G, GLN97G, GLU118A, GLU122A, GLU52G, GLU53G, GLY159A, GLY163A, ILE130A, ILE165A, ILE169A, ILE83G, ILE89G, LEU126A, LEU133A, LEU160A, LEU162A, LEU171A, LEU41G, LYS166A, LYS65G, LYS94G, PHE30G, PRO134A, PRO161A, PRO98G, SER167A, SER49G, THR164A, THR61G, TYR117A, VAL47G, VAL58G
• A-H: ALA117H, ALA124A, ALA131A, ALA172A, ALA67H, ALA71H, ALA86H, ALA95H, ARG100H, ARG101H, ARG106H, ARG128A, ARG132A, ARG168A, ARG170A, ARG175A, ARG177A, ASP104H, ASP112A, ASP115A, ASP174A, ASP74H, ASP96H, GLN121A, GLN178A, GLN72H, GLU103H, GLU118A, GLU22H, GLY122H, GLY123H, GLY64H, GLY99H, ILE118H, ILE169A, LEU102H, LEU119H, LEU129H, LEU171A, LEU173A, LEU26H, LEU61H, LEU66H, LEU73H, LEU94H, LYS166A, PRO120H, PRO134A, PRO93H, SER167A, SER62H, SER65H, SER68H, THR121H, TRP107H, TYR117A, TYR97H, VAL105H, VAL69H, VAL98H
• B-D: ALA57B, ALA57D, PRO58B, PRO58D, VAL59B, VAL59D
• B-G: ALA40B, ARG41B, ASP9B, GLU37B, LYS94G
• B-H: ALA40B, ARG108H, ARG41B, ASP36B, GLN116H, GLU124H, GLU37B, GLY122H, GLY123H, ILE118H, ILE126H, PRO120H, THR121H, THR2B
• C-D: ALA10D, ALA124C, ALA125D, ALA129C, ALA131C, ALA139C, ALA144C, ALA14D, ALA155C, ALA156C, ALA16D, ALA172C, ALA17D, ALA23D, ALA24C, ALA27C, ALA29D, ALA34C, ALA40D, ALA42D, ALA44D, ALA47D, ALA48C, ALA51C, ALA55C, ALA57D, ALA60C, ALA60D, ALA67D, ALA71D, ALA74C, ALA77C, ALA84C, ALA90D, ALA92D, ALA95D, ARG128C, ARG132C, ARG138C, ARG143C, ARG168C, ARG170C, ARG177C, ARG21C, ARG39D, ARG41D, ARG73C, ARG85C, ARG87C, ARG93C, ARG96C, ASN123C, ASN86C, ASP102C, ASP148C, ASP174C, ASP22C, ASP36D, ASP46D, ASP57C, ASP74D, ASP90C, ASP95C, ASP96D, ASP9D, CYS35D, CYS38D, CYS54C, GLN137C, GLN31C, GLN56C, GLN64C, GLN72D, GLN97C, GLU101C, GLU122C, GLU124D, GLU142C, GLU157C, GLU22D, GLU23C, GLU28C, GLU37D, GLU52C, GLU53C, GLU54D, GLU55D, GLU63D, GLU99C, GLY122D, GLY123D, GLY127C, GLY147C, GLY163C, GLY18D, GLY39C, GLY43D, GLY49D, GLY50D, GLY64D, GLY91C, HIS31D, HIS32C, ILE130C, ILE141C, ILE165C, ILE169C, ILE17C, ILE80C, ILE89C, LEU103C, LEU119D, LEU126C, LEU12D, LEU133C, LEU140C, LEU154C, LEU160C, LEU162C, LEU171C, LEU173C, LEU176C, LEU20D, LEU26D, LEU29C, LEU32D, LEU34D, LEU41C, LEU45D, LEU52D, LEU61D, LEU66D, LEU73D, LEU92C, LEU94D, LYS166C, LYS36C, LYS38C, LYS43C, LYS94C, PHE145C, PHE146C, PHE24D, PHE26C, PHE30C, PHE33C, PHE40C, PHE81C, PRO100C, PRO120D, PRO161C, PRO35C, PRO58D, PRO88D, PRO91D, PRO93D, PRO98C, SER167C, SER21D, SER25D, SER33D, SER44C, SER49C, SER51D, SER62D, SER65D, SER68D, SER75C, THR121D, THR13D, THR158C, THR164C, THR19D, THR30D, THR56D, THR61C, THR78C, THR82C, TRP10C, TRP63C, TRP79C, TYR15D, TYR97D, VAL27D, VAL28D, VAL37C, VAL48D, VAL58C, VAL59D, VAL62C, VAL69D, VAL76C
• C-E: ALA124C, ALA129C, ALA131C, ALA155C, ALA55E, ALA60E, ALA84E, ARG125C, ARG128C, ARG132C, ARG168C, ARG170C, ARG87E, ARG88E, ARG96E, ASN86E, ASP57E, ASP95E, CYS54E, GLN121C, GLN137C, GLN50E, GLN56E, GLN64E, GLN97E, GLU118C, GLU122C, GLU157C, GLU52E, GLU53E, GLY159C, GLY163C, ILE130C, ILE165C, ILE83E, ILE89E, LEU126C, LEU133C, LEU160C, LEU162C, LEU171C, LEU41E, LYS166C, LYS65E, LYS94E, PHE30E, PRO134C, PRO161C, PRO98E, SER167C, SER49E, THR158C, THR164C, THR61E, TYR117C, VAL47E, VAL58E
• C-F: ALA117F, ALA124C, ALA129C, ALA131C, ALA172C, ALA67F, ALA71F, ALA95F, ARG100F, ARG106F, ARG125C, ARG128C, ARG132C, ARG168C, ARG170C, ARG175C, ARG177C, ASP104F, ASP112C, ASP115C, ASP174C, ASP74F, ASP96F, GLN121C, GLN178C, GLN72F, GLU118C, GLU22F, GLY122F, GLY123F, GLY64F, GLY99F, HIS179C, ILE118F, ILE169C, LEU119F, LEU171C, LEU173C, LEU176C, LEU26F, LEU61F, LEU66F, LEU73F, LEU94F, LYS166C, PRO120F, PRO134C, PRO93F, SER167C, SER62F, SER65F, SER68F, THR121F, TYR117C, TYR97F, VAL105F, VAL69F, VAL98F
• C-H: GLU63H, LYS4C
• D-E: ALA40D, ALA44D, ARG41D, GLU37D, LYS94E
• D-F: ALA40D, ARG106F, ARG41D, ARG4D, ASP36D, GLN116F, GLU37D, GLY122F, GLY123F, ILE118F, ILE126F, ILE3D, PRO120F, THR121F, THR2D
• E-F: ALA124E, ALA125F, ALA129E, ALA131E, ALA139E, ALA144E, ALA14F, ALA16F, ALA172E, ALA17F, ALA23F, ALA24E, ALA27E, ALA29F, ALA34E, ALA40F, ALA42F, ALA44F, ALA47F, ALA48E, ALA51E, ALA55E, ALA57F, ALA60E, ALA60F, ALA67F, ALA71F, ALA74E, ALA77E, ALA92F, ALA95F, ARG128E, ARG138E, ARG143E, ARG168E, ARG170E, ARG177E, ARG21E, ARG39F, ARG41F, ARG73E, ARG85E, ARG88E, ARG96E, ASN123E, ASN86E, ASP102E, ASP174E, ASP22E, ASP36F, ASP46F, ASP57E, ASP74F, ASP95E, ASP96F, ASP9F, CYS35F, CYS38F, CYS54E, GLN31E, GLN56E, GLN64E, GLN72F, GLN97E, GLU101E, GLU122E, GLU124F, GLU142E, GLU22F, GLU23E, GLU28E, GLU37F, GLU52E, GLU53E, GLU54F, GLU55F, GLU63F, GLU99E, GLY122F, GLY123F, GLY127E, GLY163E, GLY18F, GLY39E, GLY43F, GLY49F, GLY50F, GLY64F, HIS31F, HIS32E, HIS6F, ILE130E, ILE141E, ILE165E, ILE169E, ILE17E, ILE3F, ILE80E, LEU103E, LEU126E, LEU12F, LEU133E, LEU140E, LEU162E, LEU171E, LEU173E, LEU176E, LEU20F, LEU26F, LEU29E, LEU32F, LEU34F, LEU41E, LEU45F, LEU52F, LEU61F, LEU66F, LEU73F, LEU94F, LYS166E, LYS36E, LYS38E, LYS43E, LYS65E, LYS94E, PHE104E, PHE145E, PHE146E, PHE24F, PHE26E, PHE30E, PHE33E, PHE40E, PHE81E, PRO100E, PRO120F, PRO161E, PRO35E, PRO58F, PRO91F, PRO93F, PRO98E, SER167E, SER21F, SER25F, SER33F, SER44E, SER49E, SER51F, SER62F, SER65F, SER68F, SER75E, THR121F, THR13F, THR164E, THR19F, THR30F, THR56F, THR61E, THR78E, THR82E, TRP10E, TRP63E, TRP79E, TYR15F, TYR97F, VAL27F, VAL28F, VAL37E, VAL48F, VAL58E, VAL59F, VAL62E, VAL69F, VAL76E
• E-G: ALA12E, ALA12G, ALA16E, ALA16G, ALA24E, ALA24G, ALA25E, ALA25G, ALA27E, ALA27G, ARG15E, ARG15G, ARG21E, ARG21G, ARG7E, ARG7G, ASP22E, ASP22G, ASP6E, ASP6G, ASP9E, ASP9G, GLN31E, GLN31G, GLU23E, GLU23G, GLU28E, GLU28G, HIS20E, HIS20G, HIS32E, HIS32G, ILE17E, ILE17G, LEU13E, LEU13G, LEU29E, LEU29G, LYS4G, PHE26E, PHE26G, PHE30E, PHE30G, SER5E, SER5G, THR8E, THR8G, TRP10E, TRP10G, TRP63E, TRP63G
• E-H: ALA24E, ALA25E, ALA27E, ALA67H, ASP22E, GLU23E, GLU63H, GLY64H, LEU66H, PHE26E, SER65H
• F-G: ALA24G, ALA25G, ALA27G, ALA67F, ASP22G, GLU23G, GLU63F, GLY64F, LEU66F, PHE26G, SER65F
• F-H: ALA67F, ALA67H, ALA71F, ALA71H, ASP74F, ASP74H, GLN72F, GLN72H, GLU63F, GLU63H, GLY64F, GLY64H, LEU66F, LEU66H, LEU73F, LEU73H, SER65F, SER65H, SER68F, SER68H, VAL69F, VAL69H
• G-H: ALA124G, ALA129G, ALA131G, ALA139G, ALA144G, ALA14H, ALA16H, ALA172G, ALA17H, ALA23H, ALA24G, ALA27G, ALA29H, ALA34G, ALA40H, ALA42H, ALA44H, ALA47H, ALA48G, ALA51G, ALA55G, ALA57H, ALA60G, ALA60H, ALA67H, ALA71H, ALA74G, ALA77G, ALA86H, ALA90H, ALA92H, ALA95H, ARG128G, ARG138G, ARG143G, ARG168G, ARG170G, ARG177G, ARG21G, ARG39H, ARG41H, ARG73G, ARG85G, ARG88G, ARG96G, ASN123G, ASN86G, ASP102G, ASP174G, ASP22G, ASP36H, ASP46H, ASP57G, ASP74H, ASP95G, ASP96H, ASP9H, CYS35H, CYS38H, CYS54G, GLN31G, GLN56G, GLN64G, GLN72H, GLN97G, GLU101G, GLU122G, GLU124H, GLU142G, GLU22H, GLU23G, GLU28G, GLU37H, GLU52G, GLU53G, GLU54H, GLU55H, GLU63H, GLU99G, GLY122H, GLY123H, GLY127G, GLY147G, GLY163G, GLY18H, GLY39G, GLY43H, GLY49H, GLY50H, GLY64H, HIS31H, HIS32G, HIS6H, ILE130G, ILE141G, ILE165G, ILE169G, ILE17G, ILE3H, ILE80G, LEU103G, LEU126G, LEU12H, LEU133G, LEU140G, LEU160G, LEU162G, LEU171G, LEU173G, LEU176G, LEU20H, LEU26H, LEU29G, LEU32H, LEU34H, LEU41G, LEU45H, LEU52H, LEU61H, LEU66H, LEU73H, LEU94H, LYS166G, LYS36G, LYS38G, LYS43G, LYS94G, PHE104G, PHE145G, PHE146G, PHE24H, PHE26G, PHE30G, PHE33G, PHE40G, PHE81G, PRO100G, PRO120H, PRO161G, PRO35G, PRO58H, PRO88H, PRO91H, PRO93H, PRO98G, SER167G, SER21H, SER25H, SER33H, SER44G, SER49G, SER51H, SER62H, SER65H, SER68H, SER75G, THR121H, THR13H, THR164G, THR19H, THR30H, THR56H, THR61G, THR78G, THR82G, THR8G, TRP10G, TRP63G, TRP79G, TYR15H, TYR97H, VAL27H, VAL28H, VAL37G, VAL48H, VAL58G, VAL59H, VAL62G, VAL69H, VAL76G