3VGW

crystal structure of monoac-biotin-avidin complex

• Total interactions analyzed: 28
• Total true interactions: 22
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 154
  • Norm. En. per Res.: -5.3268
• Hub Node: A(7)

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	-76.9135	-78.8072	-585.218	-740.9387	156	14	6	22189	4	31	30
A-C	-37.9437	16.9172	-137.037	-158.0635	64	4	1	5855	0	6	12
A-D	0.0	0.0	-33.305	-33.305	26	5	2	1469	0	3	4
A-E	0.0	0.0	-3.9148	-3.9148	12	0	0	201	0	1	5
A-F	0.0	0.0	-0.0123	-0.0123	4	0	0	6	0	1	0
A-G	-24.6767	-23.2153	-100.433	-148.3249	35	2	0	3290	1	7	9
A-H	-3.1019	0.0	-26.6307	-29.7326	18	0	0	1010	0	2	0
B-C	0.0	0.0	-32.2864	-32.2864	26	0	2	1395	0	3	4
B-D	-46.1097	19.2773	-142.696	-169.5285	65	5	1	6056	0	6	12
B-E	0.0	0.0	-0.1011	-0.1011	7	0	0	47	0	5	0
B-F	0.0	0.0	-0.0057	-0.0057	2	0	0	5	0	0	3
B-G	-5.6753	0.0	-21.698	-27.3733	15	1	0	891	0	3	0
C-D	-43.0908	-77.1955	-573.733	-694.0193	156	16	7	22455	6	33	30
C-E	-21.5816	12.3659	-66.9227	-76.1384	28	2	0	2281	0	4	4
C-G	0.0	0.0	-0.3429	-0.3429	8	0	0	78	0	0	3
C-H	0.0	0.0	-0.0037	-0.0037	2	0	0	4	0	4	1
E-F	-53.4336	-83.722	-586.363	-723.5186	157	16	6	22406	5	32	27
E-G	-60.5901	21.5192	-148.263	-187.3339	65	7	1	6219	0	6	12
E-H	0.0	0.0	-33.7306	-33.7306	26	3	2	1462	0	3	4
F-G	0.0	0.0	-30.1884	-30.1884	27	7	2	1468	0	3	4
F-H	-54.221	18.3951	-141.014	-176.8399	64	6	1	6005	0	6	12
G-H	-96.7398	-121.7522	-601.84	-820.332	154	17	6	22502	9	33	29

Interface residues

• A-B: ALA112A, ALA112B, ARG100A, ARG100B, ARG114A, ARG114B, ARG26A, ARG26B, ARG59A, ARG59B, ARG87A, ARG87B, ASN104A, ASN104B, ASN42A, ASN42B, ASN54A, ASN54B, ASN57A, ASN57B, ASN69A, ASN69B, ASN88A, ASP105A, ASP105B, ASP108A, ASP108B, ASP109A, ASP109B, ASP86A, ASP86B, CYS83A, CYS83B, GLN53A, GLN53B, GLN61A, GLN61B, GLN82A, GLN82B, GLU28A, GLU28B, GLU74A, GLU74B, GLU91A, GLU91B, GLY107A, GLY107B, GLY116A, GLY116B, GLY27A, GLY27B, GLY51A, GLY51B, GLY65A, GLY65B, GLY81A, GLY81B, HIS50A, HIS50B, ILE106A, ILE106B, ILE117A, ILE117B, ILE119A, ILE119B, ILE56A, ILE56B, ILE85A, ILE85B, LEU49A, LEU49B, LEU6B, LEU93A, LEU93B, LEU98A, LEU98B, LEU99A, LEU99B, LYS45A, LYS45B, LYS58A, LYS58B, LYS71A, LYS71B, LYS90A, LYS90B, LYS94A, LYS94B, MET96A, MET96B, PHE29A, PHE29B, PHE64A, PHE64B, PHE66A, PHE66B, PHE72A, PHE72B, PHE79A, PHE79B, PHE84A, PHE84B, PRO48A, PRO48B, PRO62A, PRO62B, SER101A, SER101B, SER102A, SER102B, SER25A, SER25B, SER47A, SER47B, SER73A, SER73B, SER75A, SER75B, THR113A, THR113B, THR30A, THR30B, THR40A, THR52A, THR52B, THR55A, THR55B, THR60A, THR63A, THR63B, THR67A, THR67B, THR76A, THR76B, THR77A, THR77B, THR80A, THR80B, THR95A, THR95B, TRP110A, TRP110B, TRP70A, TRP70B, TRP97A, TRP97B, VAL103A, VAL103B, VAL115A, VAL115B, VAL68A, VAL68B, VAL78A, VAL78B, VAL92A, VAL92B
• A-C: ALA112A, ALA112C, ALA36A, ALA36C, ALA39A, ALA39C, ARG114A, ARG114C, ASN118A, ASN118C, ASN12A, ASP108A, ASP108C, ASP109A, ASP109C, ASP13A, ASP13C, GLY107A, GLY107C, GLY116A, GLY116C, ILE106A, ILE106C, ILE117A, ILE117C, ILE44A, ILE44C, LEU14A, LEU14C, LEU98A, LEU98C, LEU99A, LEU99C, LYS111A, LYS111C, MET96A, MET96C, PHE72A, PHE72C, SER101A, SER101C, SER41C, THR113A, THR113C, THR35A, THR35C, THR38A, THR38C, THR40A, THR40C, THR77A, THR77C, TRP110A, TRP110C, TRP70A, TRP70C, TRP97A, TRP97C, VAL103A, VAL103C, VAL115A, VAL115C, VAL37A, VAL37C
• A-D: ARG114A, ARG114D, ASN118A, ASN118D, ASP13A, ASP13D, GLY116A, GLY116D, ILE117A, ILE117D, ILE119A, ILE119D, LEU14A, LEU14D, LEU98A, LEU98D, LYS94A, LYS94D, MET96A, MET96D, THR95A, THR95D, TRP97A, TRP97D, VAL115A, VAL115D
• A-E: ASN104A, ASN104E, ASN42E, ASP108A, GLU43E, GLU74A, LYS111A, LYS111E, SER41E, THR40E, TRP110A, VAL103A
• A-F: ARG59F, ASN104A, ASN57F, ASP105A
• A-G: ALA39A, ALA39G, ASN104G, ASN42A, ASN42G, GLU43A, GLU43G, GLU74A, GLU74G, ILE44A, ILE44G, LYS45A, LYS45G, LYS71A, LYS71G, PHE72A, PHE72G, PRO48A, SER101G, SER102A, SER102G, SER41A, SER41G, SER47A, SER73A, SER73G, SER75A, SER75G, THR38A, THR38G, THR40A, THR40G, TRP70A, TRP70G, VAL103G
• A-H: ALA36A, ALA39A, ARG59H, ASN42A, ASN54H, ASN57H, GLU43A, ILE44A, ILE56H, LYS45A, LYS58H, PHE72A, SER41A, THR38A, THR40A, THR55H, THR63H, VAL37A
• B-C: ARG114B, ARG114C, ASN118B, ASN118C, ASP13B, ASP13C, GLY116B, GLY116C, ILE117B, ILE117C, ILE119B, ILE119C, LEU14B, LEU14C, LEU98B, LEU98C, LYS94B, LYS94C, MET96B, MET96C, THR95B, THR95C, TRP97B, TRP97C, VAL115B, VAL115C
• B-D: ALA112B, ALA112D, ALA36B, ALA36D, ALA39B, ALA39D, ARG114B, ARG114D, ASN118B, ASN118D, ASN12B, ASN12D, ASP108B, ASP108D, ASP109B, ASP109D, ASP13B, ASP13D, GLY107B, GLY107D, GLY116B, GLY116D, ILE106B, ILE106D, ILE117B, ILE117D, ILE44B, ILE44D, LEU14B, LEU14D, LEU98B, LEU98D, LEU99B, LEU99D, LYS111B, LYS111D, MET96B, MET96D, PHE72D, SER101B, SER101D, SER41B, SER41D, THR113B, THR113D, THR35B, THR35D, THR38B, THR38D, THR40B, THR40D, THR77B, THR77D, TRP110B, TRP110D, TRP70B, TRP70D, TRP97B, TRP97D, VAL103B, VAL103D, VAL115B, VAL115D, VAL37B, VAL37D
• B-E: ARG59B, ASN104E, ASN57B, ASP105E, GLN61B, LYS111E, THR60B
• B-F: ARG59F, ARG87B
• B-G: ALA36G, ALA39G, ARG59B, ASN42G, ASN54B, ASN57B, GLU43G, ILE44G, ILE56B, LYS58B, SER41G, THR38G, THR40G, THR55B, VAL37G
• C-D: ALA112C, ALA112D, ARG100C, ARG100D, ARG114C, ARG114D, ARG26C, ARG26D, ARG59C, ARG59D, ARG87C, ARG87D, ASN104C, ASN104D, ASN24C, ASN42C, ASN42D, ASN54C, ASN54D, ASN57C, ASN57D, ASN69C, ASN69D, ASN88C, ASP105C, ASP105D, ASP108C, ASP108D, ASP109C, ASP109D, ASP86C, ASP86D, CYS83C, CYS83D, GLN53C, GLN53D, GLN61C, GLN61D, GLN82C, GLN82D, GLU28C, GLU28D, GLU46C, GLU74C, GLU74D, GLU91C, GLU91D, GLY107C, GLY107D, GLY116C, GLY116D, GLY27C, GLY27D, GLY31C, GLY51C, GLY51D, GLY65C, GLY65D, GLY81C, GLY81D, GLY89C, HIS50C, HIS50D, ILE106C, ILE106D, ILE117C, ILE117D, ILE119C, ILE119D, ILE56C, ILE56D, ILE85C, ILE85D, LEU49C, LEU49D, LEU93C, LEU93D, LEU98C, LEU98D, LEU99C, LEU99D, LYS45C, LYS45D, LYS58C, LYS58D, LYS71C, LYS71D, LYS90C, LYS94C, LYS94D, MET96C, MET96D, PHE29C, PHE29D, PHE64C, PHE64D, PHE66C, PHE66D, PHE72C, PHE72D, PHE79C, PHE79D, PHE84C, PHE84D, PRO48C, PRO48D, PRO62C, PRO62D, SER101C, SER101D, SER102C, SER102D, SER25C, SER25D, SER47C, SER73C, SER73D, SER75C, SER75D, THR113C, THR113D, THR30C, THR30D, THR32C, THR52C, THR52D, THR55C, THR55D, THR63C, THR63D, THR67C, THR67D, THR76C, THR76D, THR77C, THR77D, THR80C, THR80D, THR95C, THR95D, TRP110C, TRP110D, TRP70C, TRP70D, TRP97C, TRP97D, VAL103C, VAL103D, VAL115C, VAL115D, VAL68C, VAL68D, VAL78C, VAL78D, VAL92C, VAL92D
• C-E: ALA36C, ALA36E, ALA39C, ALA39E, ARG114C, ASN42C, ASN42E, GLU43C, GLU43E, GLU46E, ILE34C, ILE34E, ILE44C, ILE44E, LYS45C, LYS45E, PHE72C, PHE72E, SER41C, SER41E, THR35C, THR35E, THR38C, THR38E, THR40C, THR40E, VAL37C, VAL37E
• C-G: ASN104C, ASN104G, ASP105G, ASP108C, LYS111C, LYS111G, SER41C, TRP110G
• C-H: ARG59H, LYS111C
• E-F: ALA112E, ALA112F, ARG100E, ARG100F, ARG114E, ARG114F, ARG26E, ARG26F, ARG59E, ARG59F, ARG87E, ARG87F, ASN104E, ASN104F, ASN24E, ASN42E, ASN42F, ASN54E, ASN54F, ASN57E, ASN57F, ASN69E, ASN69F, ASN88E, ASP105E, ASP105F, ASP108E, ASP108F, ASP109E, ASP109F, ASP86E, ASP86F, CYS83E, CYS83F, GLN53E, GLN53F, GLN61E, GLN61F, GLN82E, GLN82F, GLU28E, GLU28F, GLU46E, GLU74E, GLU74F, GLU91E, GLU91F, GLY107E, GLY107F, GLY116E, GLY116F, GLY27E, GLY27F, GLY31E, GLY51E, GLY51F, GLY65E, GLY65F, GLY81E, GLY81F, GLY89E, HIS50E, HIS50F, ILE106E, ILE106F, ILE117E, ILE117F, ILE119E, ILE119F, ILE56E, ILE56F, ILE85E, ILE85F, LEU49E, LEU49F, LEU93E, LEU93F, LEU98E, LEU98F, LEU99E, LEU99F, LYS45E, LYS45F, LYS58E, LYS58F, LYS71E, LYS71F, LYS90E, LYS90F, LYS94E, LYS94F, MET96E, MET96F, PHE29E, PHE29F, PHE64E, PHE64F, PHE66E, PHE66F, PHE72E, PHE72F, PHE79E, PHE79F, PHE84E, PHE84F, PRO48E, PRO48F, PRO62E, PRO62F, SER101E, SER101F, SER102E, SER102F, SER25E, SER25F, SER47E, SER73E, SER73F, SER75E, SER75F, THR113E, THR113F, THR30E, THR30F, THR32E, THR52E, THR52F, THR55E, THR55F, THR63E, THR63F, THR67E, THR67F, THR76E, THR76F, THR77E, THR77F, THR80E, THR80F, THR95E, THR95F, TRP110E, TRP110F, TRP70E, TRP70F, TRP97E, TRP97F, VAL103E, VAL103F, VAL115E, VAL115F, VAL68E, VAL68F, VAL78E, VAL78F, VAL92E, VAL92F
• E-G: ALA112E, ALA112G, ALA36E, ALA36G, ALA39E, ALA39G, ARG114E, ARG114G, ASN118E, ASN118G, ASN12E, ASP108E, ASP108G, ASP109E, ASP109G, ASP13E, ASP13G, GLY107E, GLY107G, GLY116E, GLY116G, ILE106E, ILE106G, ILE117E, ILE117G, ILE44E, ILE44G, LEU14E, LEU14G, LEU98E, LEU98G, LEU99E, LEU99G, LYS111E, LYS111G, MET96E, MET96G, PHE72E, PHE72G, SER101E, SER101G, SER41E, SER41G, THR113E, THR113G, THR35E, THR35G, THR38E, THR38G, THR40E, THR40G, THR77E, THR77G, TRP110E, TRP110G, TRP70E, TRP70G, TRP97E, TRP97G, VAL103E, VAL103G, VAL115E, VAL115G, VAL37E, VAL37G
• E-H: ARG114E, ARG114H, ASN118E, ASN118H, ASP13E, ASP13H, GLY116E, GLY116H, ILE117E, ILE117H, ILE119E, ILE119H, LEU14E, LEU14H, LEU98E, LEU98H, LYS94E, LYS94H, MET96E, MET96H, THR95E, THR95H, TRP97E, TRP97H, VAL115E, VAL115H
• F-G: ARG114F, ARG114G, ARG87G, ASN118F, ASN118G, ASP13F, ASP13G, GLY116F, GLY116G, ILE117F, ILE117G, ILE119F, ILE119G, LEU14F, LEU14G, LEU98F, LEU98G, LYS94F, LYS94G, MET96F, MET96G, THR95F, THR95G, TRP97F, TRP97G, VAL115F, VAL115G
• F-H: ALA112F, ALA112H, ALA36F, ALA36H, ALA39F, ALA39H, ARG114F, ARG114H, ASN118F, ASN118H, ASN12F, ASP108F, ASP108H, ASP109F, ASP109H, ASP13F, ASP13H, GLY107F, GLY107H, GLY116F, GLY116H, ILE106F, ILE106H, ILE117F, ILE117H, ILE44F, ILE44H, LEU14F, LEU14H, LEU98F, LEU98H, LEU99F, LEU99H, LYS111F, LYS111H, MET96F, MET96H, PHE72H, SER101F, SER101H, SER41F, SER41H, THR113F, THR113H, THR35F, THR35H, THR38F, THR38H, THR40F, THR40H, THR77F, THR77H, TRP110F, TRP110H, TRP70F, TRP70H, TRP97F, TRP97H, VAL103F, VAL103H, VAL115F, VAL115H, VAL37F, VAL37H
• G-H: ALA112G, ALA112H, ARG100G, ARG100H, ARG114G, ARG114H, ARG26G, ARG26H, ARG59G, ARG59H, ARG87G, ASN104G, ASN104H, ASN24G, ASN42G, ASN42H, ASN54G, ASN54H, ASN57G, ASN57H, ASN69G, ASN69H, ASN88G, ASP105G, ASP105H, ASP108G, ASP108H, ASP109G, ASP109H, ASP86G, ASP86H, CYS83G, CYS83H, GLN53G, GLN53H, GLN61G, GLN61H, GLN82G, GLN82H, GLU28G, GLU28H, GLU74G, GLU74H, GLU91G, GLU91H, GLY107G, GLY107H, GLY116G, GLY116H, GLY27G, GLY27H, GLY51G, GLY51H, GLY65G, GLY65H, GLY81G, GLY81H, GLY89G, HIS50G, HIS50H, ILE106G, ILE106H, ILE117G, ILE117H, ILE119G, ILE119H, ILE56G, ILE56H, ILE85G, ILE85H, LEU49G, LEU49H, LEU6H, LEU93G, LEU93H, LEU98G, LEU98H, LEU99G, LEU99H, LYS45G, LYS45H, LYS58G, LYS58H, LYS71G, LYS71H, LYS90G, LYS94G, LYS94H, MET96G, MET96H, PHE29G, PHE29H, PHE64G, PHE64H, PHE66G, PHE66H, PHE72G, PHE72H, PHE79G, PHE79H, PHE84G, PHE84H, PRO48G, PRO48H, PRO62G, PRO62H, SER101G, SER101H, SER102G, SER102H, SER25G, SER25H, SER47G, SER47H, SER73G, SER73H, SER75G, SER75H, THR113G, THR113H, THR30G, THR30H, THR52G, THR52H, THR55G, THR55H, THR63G, THR63H, THR67G, THR67H, THR76G, THR76H, THR77G, THR77H, THR80G, THR80H, THR95G, THR95H, TRP110G, TRP110H, TRP70G, TRP70H, TRP97G, TRP97H, VAL103G, VAL103H, VAL115G, VAL115H, VAL68G, VAL68H, VAL78G, VAL78H, VAL92G, VAL92H