2E76

crystal structure of the cytochrome b6f complex with tridecyl- stigmatellin (tds) from m.laminosus

• Total interactions analyzed: 28
• Total true interactions: 22
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 241
  • Norm. En. per Res.: -3.7316
• Hub Node: A(6)

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	-152.3969	-6.0857	-740.828	-899.3106	241	71	20	32103	4	18	31
A-C	0.0	-11.9641	-22.8892	-34.8533	40	6	0	1318	1	4	7
A-D	-2.1499	0.0	-127.981	-130.1309	37	5	6	4791	0	1	1
A-F	0.0	0.0	-0.0325	-0.0325	10	0	0	35	0	0	0
A-G	-2.9891	-2.5162	-125.706	-131.2113	69	11	11	6569	0	4	3
A-H	-2.3716	0.0	-27.2424	-29.614	25	0	2	1642	0	0	1
B-C	-5.8729	4.7456	-243.324	-244.4513	110	25	10	11852	6	20	16
B-D	0.0	0.0	-18.3017	-18.3017	30	8	0	1095	0	0	0
B-F	0.0	10.9649	-1.2042	9.7607	16	0	1	172	0	0	1
B-G	0.0	27.9676	-138.998	-111.0304	83	25	5	7176	0	3	9
B-H	-5.3496	-43.5379	-65.2983	-114.1857	54	8	9	3929	2	2	1
C-D	-3.992	-0.2004	-139.19	-143.3824	61	22	10	6750	0	5	12
C-E	0.0	0.692	-65.7982	-65.1062	41	6	2	3636	0	1	6
C-F	0.0	12.4933	-24.9176	-12.4243	31	0	0	1228	0	2	10
C-G	-2.1902	23.1376	-2.5343	18.4132	12	7	0	564	1	1	3
C-H	-13.4591	3.5095	-132.542	-142.4916	69	27	6	7850	0	7	6
D-E	-18.7157	-11.3829	-31.0764	-61.175	22	7	1	1962	1	3	4
E-F	-5.3776	0.0	-50.2073	-55.5849	38	10	4	2736	0	0	1
E-H	0.0	0.0	-87.2418	-87.2418	45	0	10	4354	0	0	0
F-G	0.0	11.8585	-94.5434	-82.6849	39	4	6	4126	0	0	4
F-H	0.0	0.0	-121.861	-121.861	48	8	6	5766	0	0	1
G-H	0.0	0.0	-12.9499	-12.9499	22	3	1	744	0	0	0

Interface residues

• A-B: ALA102B, ALA125A, ALA129B, ALA147A, ALA157A, ALA18A, ALA19B, ALA31B, ALA49A, ALA49B, ALA53B, ALA60B, ALA66B, ALA67A, ALA70B, ALA90A, ARG103A, ARG114A, ARG125B, ARG126B, ARG207A, ARG83A, ARG87A, ASN116B, ASN118B, ASN122B, ASN25B, ASN34B, ASN74A, ASN93B, ASP141A, ASP20A, ASP35B, ASP58B, ASP67B, CYS35A, CYS43A, CYS50B, GLN121B, GLN142A, GLN209A, GLN47A, GLN70A, GLU115A, GLU115B, GLU156A, GLU29B, GLU64B, GLU74B, GLU78B, GLY107B, GLY108A, GLY109A, GLY121A, GLY132A, GLY135A, GLY144A, GLY153A, GLY176A, GLY210A, GLY213A, GLY21B, GLY23B, GLY28B, GLY38A, GLY46B, GLY63B, GLY79A, GLY97B, HIS24B, HIS29A, HIS86A, ILE109B, ILE114B, ILE119A, ILE123A, ILE132B, ILE141B, ILE150A, ILE158A, ILE206A, ILE211A, ILE32A, ILE39A, ILE44B, ILE46A, ILE51B, ILE72A, ILE75B, ILE82A, ILE85A, ILE98A, LEU106A, LEU106B, LEU108B, LEU110B, LEU116A, LEU134B, LEU18B, LEU215A, LEU36A, LEU36B, LEU37B, LEU41A, LEU45A, LEU4B, LEU54B, LEU57B, LEU73B, LEU76B, LEU81A, LEU81B, LEU88B, LEU95A, LEU95B, LEU96B, LEU99A, LEU99B, LYS111A, LYS112A, LYS119B, LYS149A, LYS17B, LYS208A, LYS20B, LYS24A, LYS5B, LYS6B, LYS94B, MET101B, MET22B, MET45B, MET61B, MET73A, MET92A, MET93A, MET96A, MET97A, PHE102A, PHE110A, PHE113B, PHE120B, PHE124B, PHE131A, PHE133B, PHE40B, PHE44A, PHE48B, PHE69B, PHE78A, PHE85B, PRO105B, PRO112B, PRO113A, PRO123B, PRO139A, PRO155A, PRO159A, PRO214A, PRO27A, PRO28A, PRO30B, PRO33B, PRO59B, PRO65B, PRO68B, PRO72B, PRO77B, PRO7B, PRO83B, SER120A, SER130A, SER137A, SER212A, SER23A, SER55B, SER84A, SER89A, SER91A, THR107A, THR117A, THR128A, THR130B, THR131B, THR134A, THR137B, THR140B, THR22A, THR3B, THR40A, THR42A, THR47B, THR50A, THR71B, TRP118A, TRP140A, TRP146A, TRP32B, TRP79B, TRP80A, TRP88A, TYR105A, TYR136A, TYR145A, TYR25A, TYR26B, TYR27B, TYR34A, TYR66A, TYR71A, TYR80B, TYR82B, VAL101A, VAL104A, VAL104B, VAL111B, VAL117B, VAL122A, VAL126A, VAL128B, VAL129A, VAL133A, VAL143A, VAL148A, VAL151A, VAL154A, VAL160A, VAL175A, VAL21A, VAL26A, VAL30A, VAL39B, VAL43B, VAL52B, VAL56B, VAL62A, VAL62B, VAL69A, VAL84B, VAL94A, VAL98B
• A-C: ARG14C, ARG254C, ARG83A, ARG87A, ASN141C, ASN253C, ASN74A, ASP251C, GLN142A, GLN250C, GLN38C, GLN70A, GLU246C, GLU75A, GLY145C, GLY18C, GLY79A, HIS143C, ILE142C, LEU81A, LYS140C, LYS146C, LYS276C, MET258C, MET287C, MET73A, PHE144C, PHE78A, PRO16C, SER84A, THR17C, TRP146A, TRP257C, TRP80A, TRP88A, TYR147C, TYR25A, TYR71A, VAL255C, VAL26A
• A-D: ALA34D, ALA49A, ALA49D, ALA53A, ARG83A, GLU75A, GLY47D, GLY51A, GLY79A, ILE43D, ILE72A, ILE82A, ILE85A, LEU38D, LEU81A, LYS40D, MET54A, MET73A, PHE42D, PHE52A, PHE56A, PHE78A, PRO37D, PRO44D, PRO45D, SER46D, SER77A, THR50A, THR55A, TRP80A, TYR36D, TYR41D, TYR57A, TYR58A, TYR71A, VAL39D, VAL76A
• A-F: ALA8F, ILE16F, ILE32A, LEU95A, LEU99A, MET92A, PHE33A, SER12F, TRP20F, TRP88A
• A-G: ALA16G, ALA24G, ALA25G, ALA90A, ARG103A, ARG31G, ARG87A, ASN31A, ASN33G, ASP7G, GLN27G, GLN28G, GLU34G, GLU3G, GLY12G, GLY19G, GLY20G, GLY213A, GLY36G, GLY37G, GLY8G, HIS100A, HIS29A, ILE32A, ILE98A, LEU106A, LEU11G, LEU13G, LEU18G, LEU215A, LEU21G, LEU35G, LEU36A, LEU5G, LEU6G, LEU95A, LEU99A, LEU9G, LYS30G, MET1G, MET92A, MET96A, PHE102A, PHE15G, PHE22G, PHE33A, PRO214A, PRO27A, PRO28A, PRO32G, PRO4G, SER91A, THR107A, THR17G, TRP88A, TYR105A, TYR136A, TYR23G, TYR26G, TYR29G, TYR34A, VAL101A, VAL104A, VAL10G, VAL143A, VAL14G, VAL2G, VAL30A, VAL94A
• A-H: ALA20H, ARG26H, ASN31A, CYS35A, GLY28H, HIS29A, ILE19H, ILE32A, ILE39A, LEU11H, LEU29H, MET92A, MET96A, PHE15H, PHE33A, PRO27A, PRO28A, SER18H, TRP88A, TRP8H, TYR34A, VAL22H, VAL23H, VAL26A, VAL30A
• B-C: ALA148C, ALA268C, ALA284C, ALA285C, ALA2B, ALA49B, ALA53B, ALA60B, ALA70B, ARG14C, ARG19C, ARG254C, ASN253C, ASN34B, ASP243C, ASP244C, ASP251C, ASP35B, ASP58B, ASP67B, CYS50B, GLN242C, GLN250C, GLN269C, GLN278C, GLN283C, GLN38C, GLU15C, GLU246C, GLU280C, GLU286C, GLU29B, GLU64B, GLU74B, GLY145C, GLY18C, GLY28B, GLY46B, GLY63B, HIS150C, ILE149C, ILE20C, ILE247C, ILE259C, ILE262C, ILE273C, ILE44B, ILE51B, LEU249C, LEU264C, LEU270C, LEU272C, LEU274C, LEU36B, LEU37B, LEU4B, LEU54B, LEU57B, LEU73B, LYS146C, LYS256C, LYS275C, LYS276C, LYS277C, LYS281C, LYS5B, LYS6B, MET1B, MET258C, MET266C, MET271C, MET287C, MET45B, MET61B, PHE144C, PHE261C, PHE40B, PHE48B, PHE69B, PRO16C, PRO252C, PRO30B, PRO33B, PRO41B, PRO59B, PRO65B, PRO68B, PRO72B, SER39C, SER55B, THR17C, THR245C, THR3B, THR47B, THR71B, TRP257C, TRP32B, TYR147C, TYR38B, VAL248C, VAL255C, VAL265C, VAL279C, VAL282C, VAL39B, VAL42B, VAL43B, VAL52B, VAL56B, VAL62B
• B-D: ALA23D, ALA31D, ALA34D, ALA49B, ARG16D, ASN20D, GLY25D, GLY29D, GLY33D, GLY46B, ILE44B, LEU35D, LEU36B, LEU37B, LEU38D, MET19D, MET45B, PHE24D, PHE48B, PRO33B, PRO37D, PRO41B, THR26D, THR28D, TRP32B, TYR38B, VAL27D, VAL30D, VAL42B, VAL52B
• B-F: ALA2B, ALA32F, ALA8F, ASP58B, GLN30F, GLU4F, GLU74B, GLY31F, ILE145B, LEU54B, MET1B, MET1F, MET5F, SER12F, THR148B, THR2F
• B-G: ALA129B, ALA147B, ALA24G, ALA25G, ALA60B, ARG125B, ARG126B, ARG31G, ASN122B, ASN33G, ASP58B, ASP7G, CYS50B, GLN121B, GLN27G, GLN28G, GLU34G, GLU3G, GLU74B, GLU78B, GLY144B, GLY28B, GLY36G, GLY37G, GLY63B, HIS24B, ILE141B, ILE145B, ILE75B, LEU11G, LEU134B, LEU138B, LEU13G, LEU14B, LEU18B, LEU18G, LEU21G, LEU35G, LEU4B, LEU54B, LEU57B, LEU5G, LEU6G, LEU73B, LEU76B, LEU9B, LEU9G, LYS30G, LYS5B, LYS6B, MET1G, MET61B, PHE120B, PHE124B, PHE133B, PHE135B, PHE149B, PHE15G, PHE22G, PRO123B, PRO127B, PRO32G, PRO4G, PRO59B, PRO72B, PRO77B, PRO7B, THR130B, THR131B, THR137B, THR140B, THR148B, TRP79B, TYR23G, TYR26G, TYR27B, TYR29G, TYR80B, TYR82B, VAL10G, VAL14G, VAL2G, VAL62B
• B-H: ALA10H, ALA20H, ALA2B, ALA31B, ALA49B, ALA53B, ARG26H, ASN27H, ASN34B, ASP35B, ASP4H, ASP58B, CYS50B, GLU29B, GLY25H, GLY46B, GLY7H, ILE19H, ILE3H, ILE44B, ILE51B, LEU11H, LEU12H, LEU4B, LEU54B, LEU57B, LEU6H, MET1B, MET21H, MET45B, PHE15H, PHE40B, PHE48B, PRO41B, PRO59B, SER18H, SER55B, THR16H, THR3B, THR47B, TRP17H, TRP24H, TRP8H, TYR38B, VAL14H, VAL22H, VAL23H, VAL39B, VAL42B, VAL43B, VAL52B, VAL56B, VAL5H, VAL9H
• C-D: ALA23D, ALA260C, ALA268C, ALA284C, ALA285C, ALA31D, ALA34D, ALA49D, ARG15D, ARG16D, ASN20D, ASN288C, ASP12D, ASP9D, CYS263C, GLN17D, GLN269C, GLN278C, GLN283C, GLU280C, GLU286C, GLY14D, GLY25D, GLY29D, GLY33D, ILE262C, ILE273C, LEU21D, LEU22D, LEU264C, LEU267C, LEU270C, LEU272C, LEU274C, LEU32D, LEU35D, LYS140C, LYS275C, LYS276C, LYS277C, LYS281C, MET13D, MET19D, MET266C, MET271C, PHE18D, PHE24D, PHE261C, PRO11D, PRO37D, THR26D, THR28D, TRP257C, TYR36D, VAL10D, VAL265C, VAL279C, VAL27D, VAL282C, VAL30D, VAL50D
• C-E: ALA19E, ALA25E, ALA260C, ALA268C, CYS263C, GLN278C, GLU280C, GLY17E, GLY21E, ILE12E, ILE18E, ILE22E, ILE23E, ILE259C, ILE262C, ILE26E, ILE273C, ILE32E, LEU14E, LEU264C, LEU267C, LEU270C, LEU274C, LEU31E, LYS275C, LYS276C, LYS277C, LYS27E, LYS281C, LYS30E, MET258C, MET266C, MET271C, PHE11E, PHE15E, PHE16E, PHE24E, VAL20E, VAL265C, VAL279C, VAL282C
• C-F: ALA32C, ALA32F, ASP243C, ASP244C, GLN242C, GLN278C, GLN30F, GLN38C, GLU246C, GLU280C, GLU33C, GLU35C, GLU3F, GLU4F, ILE247C, ILE273C, LEU26F, LEU270C, LEU274C, LEU27F, LYS146C, LYS277C, LYS281C, LYS51C, MET1F, PRO37C, SER39C, THR245C, THR2F, VAL34C, VAL36C
• C-G: ALA148C, ASP244C, GLN38C, GLU246C, GLU3G, LEU5G, LEU6G, LYS146C, MET1G, PRO4G, THR245C, VAL2G
• C-H: ALA10H, ALA20H, ALA260C, ALA268C, ARG254C, ARG26H, ASN253C, ASN27H, ASP251C, ASP43C, ASP4H, CYS263C, GLN250C, GLN269C, GLN38C, GLU280C, GLU2H, GLY25H, GLY7H, ILE19H, ILE247C, ILE259C, ILE262C, ILE273C, ILE3H, LEU11H, LEU12H, LEU249C, LEU267C, LEU270C, LEU272C, LEU274C, LEU41C, LEU6H, LYS146C, LYS256C, LYS276C, LYS277C, LYS47C, MET1H, MET21H, MET258C, MET266C, MET271C, PHE15H, PHE261C, PHE46C, PRO252C, PRO37C, PRO42C, SER133C, SER18H, SER39C, THR16H, THR44C, TRP17H, TRP24H, TRP8H, VAL13H, VAL14H, VAL22H, VAL23H, VAL248C, VAL255C, VAL265C, VAL40C, VAL45C, VAL5H, VAL9H
• D-E: ARG15D, ARG16D, ASN20D, ASP12D, ASP9D, GLN17D, GLY14D, ILE22E, ILE23E, ILE26E, ILE29E, ILE32E, LEU22D, LEU31E, LYS27E, LYS30E, MET13D, MET19D, PHE18D, PRO11D, SER28E, VAL10D
• E-F: ALA13E, ALA19E, ALA32F, ALA5E, GLN30F, GLY14F, GLY17E, GLY19F, GLY21E, GLY21F, GLY23F, GLY31F, GLY4E, ILE12E, ILE16F, ILE18E, ILE23E, ILE29F, ILE2E, ILE32E, ILE9E, LEU10F, LEU11F, LEU15F, LEU22F, LEU25F, LEU26F, LEU27F, LYS27E, LYS28F, MET1E, PHE15E, PHE16E, PHE24E, TYR7F, TYR8E, VAL18F, VAL20E
• E-H: ALA10H, ALA13E, ALA19E, ALA20H, ALA5E, GLU2H, GLY17E, GLY4E, GLY7H, ILE12E, ILE18E, ILE22E, ILE23E, ILE26E, ILE2E, ILE32E, ILE3H, ILE9E, LEU11H, LEU12H, LEU14E, LEU3E, LEU6H, LYS27E, MET1E, MET1H, MET21H, PHE11E, PHE15E, PHE15H, PHE16E, PHE24E, PHE7E, THR16H, TRP17H, TRP24H, TRP8H, TYR8E, VAL10E, VAL13H, VAL14H, VAL20E, VAL5H, VAL6E, VAL9H
• F-G: ALA16G, ALA8F, ALA9F, ASP7G, GLN27G, GLU3F, GLU3G, GLU4F, GLY12G, GLY14F, GLY19G, GLY20G, GLY8G, ILE16F, LEU10F, LEU11F, LEU11G, LEU13G, LEU15F, LEU18G, LEU5G, LEU6F, LEU6G, LEU9G, MET1F, MET5F, PHE13F, PHE15G, PHE17F, PRO4G, SER12F, THR17G, THR2F, TRP20F, TYR23G, TYR7F, VAL10G, VAL14G, VAL2G
• F-H: ALA20H, ALA32F, ALA8F, ALA9F, ARG26H, ASN27H, GLN30F, GLU4F, GLY14F, GLY19F, GLY21F, GLY23F, GLY25H, GLY28H, GLY31F, ILE16F, ILE19H, ILE29F, LEU10F, LEU11F, LEU11H, LEU12H, LEU15F, LEU22F, LEU25F, LEU26F, LEU27F, LEU29H, LYS28F, MET21H, PHE13F, PHE15H, PHE17F, SER12F, SER18H, THR16H, TRP17H, TRP20F, TRP24H, TRP8H, TYR7F, VAL13H, VAL14H, VAL18F, VAL22H, VAL23H, VAL24F, VAL9H
• G-H: ALA16G, ALA24G, ALA25G, ARG31G, ASN27H, GLN27G, GLN28G, GLU3G, GLY12G, GLY20G, GLY28H, ILE19H, LEU11H, LEU12H, LEU13G, LEU29H, LEU5G, LEU9G, PHE15H, TRP8H, TYR23G, TYR26G