2CKB

structure of the 2c/kb/dev8 complex

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: I-Q
  • Int. Res.: 84
  • Norm. En. per Res.: -3.726
• Hub Node: A(3)

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	-64.4287	-19.8233	-467.478	-551.73	212	80	13	22253	6	34	33
A-H	-6.6325	-5.6652	-90.616	-102.9137	55	8	1	3924	1	4	7
A-P	-13.6861	0.0	-19.5645	-33.2506	22	9	0	1137	0	1	1
B-H	0.0	0.4517	-51.5922	-51.1405	47	0	1	2880	0	8	8
B-P	0.0	0.0	-23.9763	-23.9763	24	1	0	1057	0	1	1
H-P	-29.8568	0.099	-280.114	-309.8718	84	29	4	10329	2	14	13
H-L	-38.7931	-27.6141	-304.319	-370.7262	125	39	1	12637	3	38	34
C-D	-72.7425	-11.6802	-376.92	-461.3427	215	63	14	20922	3	34	35
C-I	-9.5858	-5.7085	-75.0799	-90.3742	55	7	1	3588	1	5	6
C-Q	-15.9186	0.0	-19.5695	-35.4881	22	10	0	1117	0	1	1
D-I	0.0	0.4475	-56.3234	-55.8759	51	2	1	3118	0	8	9
D-Q	-8.2721	0.0	-20.6266	-28.8987	24	4	0	1137	0	1	1
I-Q	-34.096	-0.6892	-278.198	-312.9832	84	30	3	10321	2	15	13
I-M	-31.537	-24.7609	-318.827	-375.1249	126	42	1	12714	2	37	34

Interface residues

• A-B: ALA101A, ALA103A, ALA110B, ALA124A, ALA127A, ALA135B, ALA138B, ALA143B, ALA149B, ALA165A, ALA172A, ALA178B, ALA180A, ALA182A, ALA200B, ALA204A, ALA239B, ALA241B, ALA8A, ALA91A, ALA93B, ARG113B, ARG134A, ARG150B, ARG195B, ARG197B, ARG211B, ARG244B, ARG36B, ARG40A, ARG44B, ARG9A, ARG9B, ASN120A, ASN139B, ASN178A, ASN185A, ASN31B, ASP132A, ASP137A, ASP145A, ASP155B, ASP164A, ASP169A, ASP174A, ASP175B, ASP210A, ASP38B, ASP59B, CYS141A, CYS147B, CYS191B, CYS212B, CYS213A, CYS247B, CYS92B, GLN141B, GLN177B, GLN1A, GLN215B, GLN37A, GLN37B, GLN41A, GLN44A, GLN5A, GLN6B, GLU122A, GLU131B, GLU136B, GLU158B, GLU181B, GLU240B, GLU56B, GLY107A, GLY109A, GLY109B, GLY111B, GLY151B, GLY159A, GLY171B, GLY179A, GLY40B, GLY42A, GLY42B, GLY58B, GLY95B, GLY96B, GLY97B, GLY98B, HIS156B, HIS169B, HIS209B, HIS41B, ILE137B, ILE162A, ILE181A, LEU104A, LEU106B, LEU128A, LEU129B, LEU140A, LEU142A, LEU145B, LEU148B, LEU159B, LEU168A, LEU192B, LEU196B, LEU32A, LEU43A, LEU43B, LEU45A, LEU45B, LEU47A, LYS111A, LYS126B, LYS129A, LYS134B, LYS140B, LYS142B, LYS171A, LYS176A, LYS180B, LYS48A, MET170A, MET173A, MET32B, PHE100A, PHE106A, PHE108B, PHE130B, PHE143A, PHE146A, PHE161A, PHE210B, PHE33A, PHE89A, PHE91B, PRO121A, PRO123A, PRO132B, PRO133A, PRO176B, PRO207A, PRO212A, PRO39A, SER102A, SER108A, SER128B, SER133B, SER135A, SER138A, SER158A, SER160B, SER170B, SER173B, SER175A, SER177A, SER182B, SER184A, SER189B, SER193B, SER194B, SER199B, SER208A, SER209A, SER238B, SER49B, SER93A, SER94B, THR105A, THR105B, THR139A, THR144A, THR144B, THR155A, THR160A, THR163A, THR166A, THR174B, THR205A, THR39B, TRP161B, TRP183A, TRP203B, TRP242B, TRP82A, TYR107B, TYR126A, TYR179B, TYR190B, TYR206A, TYR31A, TYR33B, TYR35A, TYR35B, TYR38A, TYR48B, TYR50A, TYR50B, VAL125A, VAL127B, VAL146B, VAL157B, VAL167A, VAL172B, VAL198B, VAL211A, VAL214B, VAL87A, VAL89B, VAL92A
• A-H: ALA101A, ALA150H, ALA153H, ALA158H, ALA28A, ALA67H, ARG155H, ARG157H, ARG169H, ARG170H, ARG62H, ASN70H, CYS164H, GLN1A, GLN65H, GLU152H, GLU154H, GLU161H, GLU166H, GLU58H, GLU61H, GLU63H, GLU71H, GLY151H, GLY162H, GLY52A, GLY56H, GLY69H, GLY99A, LEU156H, LEU160H, LYS48A, LYS66H, LYS68A, LYS68H, PHE100A, PHE33A, PHE66A, PRO30A, SER102A, SER25A, SER27A, SER51A, SER73H, SER93A, THR163H, THR29A, THR64H, TRP167H, TYR159H, TYR26A, TYR31A, TYR49A, TYR50A, TYR59H
• A-P: ALA101A, ALA103A, ALA28A, GLN2P, GLU1P, GLY99A, LEU104A, LYS4P, PHE100A, PHE33A, PHE5P, PRO30A, SER102A, SER27A, SER93A, THR29A, TYR26A, TYR31A, TYR3P, TYR50A, TYR6P, VAL92A
• B-H: ALA150H, ALA2B, ALA52B, ARG155H, ARG69B, ARG75H, ARG79H, ASN27B, ASN28B, ASN30B, ASN31B, ASN70H, ASP77H, GLN149H, GLN72B, GLN72H, GLU148H, GLU152H, GLU56B, GLY151H, GLY51B, GLY53B, GLY69H, GLY95B, GLY96B, GLY97B, GLY98B, HIS145H, HIS29B, ILE142H, LYS146H, LYS57B, LYS68H, PHE74H, SER49B, SER54B, SER73H, THR105B, THR143H, THR55B, THR80H, TRP147H, TYR107B, TYR48B, TYR50B, TYR84H, VAL76H
• B-P: ARG69B, ASN27B, ASN28B, ASN30B, ASN31B, GLN25B, GLN72B, GLY51B, GLY95B, GLY96B, GLY97B, GLY98B, HIS29B, LYS4P, PHE5P, SER49B, SER54B, SER7P, THR105B, TYR33B, TYR3P, TYR50B, TYR6P, VAL8P
• H-P: ALA139H, ALA140H, ALA150H, ALA153H, ALA158H, ALA67H, ARG155H, ARG157H, ARG170H, ARG62H, ARG6H, ASN70H, ASP77H, CYS164H, GLN114H, GLN115H, GLN149H, GLN2P, GLN65H, GLN72H, GLN96H, GLU148H, GLU152H, GLU154H, GLU166H, GLU1P, GLU24H, GLU55H, GLU63H, GLY100H, GLY151H, GLY26H, GLY69H, HIS145H, ILE124H, ILE142H, ILE95H, ILE98H, LEU126H, LEU156H, LEU160H, LEU168H, LEU5H, LEU78H, LEU81H, LYS144H, LYS146H, LYS4P, LYS66H, MET52H, PHE33H, PHE36H, PHE5P, PHE74H, PHE8H, SER73H, SER7P, SER99H, THR143H, THR163H, THR80H, TRP133H, TRP147H, TRP167H, TYR116H, TYR118H, TYR123H, TYR159H, TYR171H, TYR22H, TYR3P, TYR45H, TYR59H, TYR6P, TYR7H, TYR84H, TYR85H, VAL25H, VAL28H, VAL34H, VAL76H, VAL8P, VAL97H, VAL9H
• H-L: ALA117H, ALA11H, ALA125H, ALA205H, ALA211H, ALA236H, ARG12L, ARG14H, ARG202H, ARG21H, ARG234H, ARG35H, ARG48H, ARG6H, ARG97L, ASN21L, ASN24L, ASP119H, ASP122H, ASP238H, ASP29H, ASP30H, ASP37H, ASP53L, ASP59L, ASP96L, ASP98L, CYS121H, CYS25L, GLN114H, GLN115H, GLN242H, GLN29L, GLN2L, GLN6L, GLN8L, GLN96H, GLU229H, GLU232H, GLU24H, GLU32H, GLU46H, GLY120H, GLY207H, GLY237H, GLY239H, GLY26H, HIS13L, HIS188H, HIS191H, HIS192H, HIS31L, HIS34L, HIS67L, HIS93H, ILE124H, ILE1L, ILE22L, ILE35L, ILE64L, ILE95H, ILE98H, LEU17H, LEU206H, LEU230H, LEU23L, LEU65L, LYS186H, LYS243H, LYS3L, LYS58L, MET23H, MET54L, MET99L, PHE208H, PHE241H, PHE56L, PHE62L, PHE8H, PRO14L, PRO15H, PRO15L, PRO185H, PRO20H, PRO235H, PRO32L, PRO33L, SER11L, SER13H, SER246H, SER4H, SER52L, SER55L, SER57L, SER61L, SER92H, SER99H, THR10H, THR190H, THR200H, THR233H, THR240H, THR28L, THR94H, TRP204H, TRP244H, TRP60L, TRP95L, TYR10L, TYR113H, TYR116H, TYR118H, TYR123H, TYR22H, TYR26L, TYR27H, TYR63L, TYR7H, VAL12H, VAL231H, VAL25H, VAL27L, VAL97H, VAL9H, VAL9L
• C-D: ALA101C, ALA103C, ALA110D, ALA124C, ALA127C, ALA135D, ALA138D, ALA143D, ALA149D, ALA165C, ALA172C, ALA178D, ALA180C, ALA182C, ALA200D, ALA204C, ALA239D, ALA241D, ALA8C, ALA91C, ALA93D, ARG113D, ARG134C, ARG150D, ARG195D, ARG197D, ARG211D, ARG244D, ARG36D, ARG40C, ARG44D, ARG9C, ARG9D, ASN120C, ASN139D, ASN178C, ASN185C, ASN30D, ASN31D, ASP132C, ASP137C, ASP145C, ASP155D, ASP164C, ASP169C, ASP174C, ASP175D, ASP210C, ASP38D, ASP59D, CYS141C, CYS147D, CYS191D, CYS212D, CYS247D, CYS90C, CYS92D, GLN141D, GLN177D, GLN1C, GLN215D, GLN37C, GLN37D, GLN41C, GLN44C, GLN5C, GLN6D, GLU122C, GLU131D, GLU136D, GLU157C, GLU158D, GLU181D, GLU240D, GLU56D, GLY107C, GLY109C, GLY109D, GLY111D, GLY151D, GLY159C, GLY171D, GLY179C, GLY40D, GLY42C, GLY42D, GLY58D, GLY95D, GLY96D, GLY97D, GLY98D, HIS156D, HIS169D, HIS209D, HIS41D, ILE118C, ILE137D, ILE162C, ILE181C, LEU104C, LEU106D, LEU128C, LEU129D, LEU140C, LEU142C, LEU145D, LEU148D, LEU159D, LEU168C, LEU192D, LEU196D, LEU32C, LEU43C, LEU43D, LEU45C, LEU45D, LEU47C, LYS111C, LYS126D, LYS129C, LYS134D, LYS140D, LYS142D, LYS171C, LYS176C, LYS180D, LYS48C, MET170C, MET173C, MET32D, PHE100C, PHE106C, PHE108D, PHE130D, PHE143C, PHE146C, PHE161C, PHE210D, PHE33C, PHE89C, PHE91D, PRO123C, PRO132D, PRO133C, PRO176D, PRO207C, PRO212C, PRO39C, SER102C, SER108C, SER128D, SER133D, SER135C, SER138C, SER158C, SER160D, SER170D, SER173D, SER175C, SER177C, SER182D, SER184C, SER189D, SER193D, SER194D, SER199D, SER208C, SER209C, SER238D, SER49D, SER93C, SER94D, THR105C, THR105D, THR110C, THR112D, THR139C, THR144C, THR144D, THR155C, THR160C, THR163C, THR166C, THR174D, THR39D, TRP183C, TRP203D, TRP242D, TRP82C, TYR107D, TYR126C, TYR179D, TYR190D, TYR206C, TYR31C, TYR33D, TYR35C, TYR35D, TYR38C, TYR48D, TYR49C, TYR50C, TYR50D, VAL125C, VAL127D, VAL146D, VAL157D, VAL167C, VAL172D, VAL198D, VAL211C, VAL214D, VAL87C, VAL89D, VAL92C
• C-I: ALA101C, ALA150I, ALA153I, ALA158I, ALA28C, ALA67I, ARG155I, ARG157I, ARG169I, ARG170I, ARG62I, ASN70I, CYS164I, GLN1C, GLN65I, GLU152I, GLU154I, GLU161I, GLU166I, GLU58I, GLU61I, GLU63I, GLU71I, GLY151I, GLY162I, GLY52C, GLY56I, GLY69I, GLY99C, LEU156I, LEU160I, LYS48C, LYS66I, LYS68C, LYS68I, PHE100C, PHE33C, PHE66C, PRO30C, SER102C, SER25C, SER27C, SER51C, SER73I, SER93C, THR163I, THR29C, THR64I, TRP167I, TYR159I, TYR26C, TYR31C, TYR49C, TYR50C, TYR59I
• C-Q: ALA101C, ALA103C, ALA28C, GLN2Q, GLU1Q, GLY99C, LEU104C, LYS4Q, PHE100C, PHE33C, PHE5Q, PRO30C, SER102C, SER27C, SER93C, THR29C, TYR26C, TYR31C, TYR3Q, TYR50C, TYR6Q, VAL92C
• D-I: ALA150I, ALA2D, ALA52D, ARG155I, ARG69D, ARG75I, ARG79I, ASN27D, ASN28D, ASN30D, ASN31D, ASN70I, ASP77I, GLN149I, GLN25D, GLN72D, GLN72I, GLU148I, GLU152I, GLU154I, GLU1D, GLU56D, GLY151I, GLY51D, GLY53D, GLY69I, GLY95D, GLY96D, GLY97D, GLY98D, HIS145I, HIS29D, ILE142I, LYS146I, LYS57D, LYS68I, PHE74I, SER49D, SER54D, SER73I, THR105D, THR143I, THR26D, THR55D, THR80I, TRP147I, TYR107D, TYR48D, TYR50D, TYR84I, VAL76I
• D-Q: ARG69D, ASN27D, ASN28D, ASN30D, ASN31D, GLN25D, GLN72D, GLY51D, GLY95D, GLY96D, GLY97D, GLY98D, HIS29D, LYS4Q, PHE5Q, SER49D, SER54D, SER7Q, SER94D, TYR33D, TYR3Q, TYR50D, TYR6Q, VAL8Q
• I-Q: ALA139I, ALA140I, ALA150I, ALA153I, ALA158I, ALA67I, ARG155I, ARG157I, ARG170I, ARG62I, ARG6I, ASN70I, ASP77I, CYS164I, GLN114I, GLN115I, GLN149I, GLN2Q, GLN65I, GLN72I, GLN96I, GLU148I, GLU152I, GLU154I, GLU166I, GLU1Q, GLU24I, GLU55I, GLU63I, GLY100I, GLY151I, GLY26I, GLY69I, HIS145I, ILE124I, ILE142I, ILE95I, ILE98I, LEU126I, LEU156I, LEU160I, LEU168I, LEU5I, LEU78I, LEU81I, LYS144I, LYS146I, LYS4Q, LYS66I, MET52I, PHE33I, PHE36I, PHE5Q, PHE74I, PHE8I, SER73I, SER7Q, SER99I, THR143I, THR163I, THR80I, TRP133I, TRP147I, TRP167I, TYR116I, TYR118I, TYR123I, TYR159I, TYR171I, TYR22I, TYR3Q, TYR45I, TYR59I, TYR6Q, TYR7I, TYR84I, TYR85I, VAL25I, VAL28I, VAL34I, VAL76I, VAL8Q, VAL97I, VAL9I
• I-M: ALA117I, ALA11I, ALA125I, ALA205I, ALA211I, ALA236I, ARG12M, ARG14I, ARG202I, ARG21I, ARG234I, ARG35I, ARG48I, ARG6I, ARG97M, ASN21M, ASN24M, ASP119I, ASP122I, ASP238I, ASP29I, ASP30I, ASP37I, ASP53M, ASP59M, ASP96M, ASP98M, CYS121I, CYS25M, GLN114I, GLN115I, GLN242I, GLN29M, GLN2M, GLN6M, GLN8M, GLN96I, GLU229I, GLU232I, GLU24I, GLU32I, GLU46I, GLY120I, GLY207I, GLY237I, GLY239I, GLY26I, HIS13M, HIS188I, HIS191I, HIS192I, HIS31M, HIS34M, HIS67M, HIS93I, ILE124I, ILE1M, ILE22M, ILE35M, ILE64M, ILE95I, ILE98I, LEU17I, LEU206I, LEU230I, LEU23M, LEU65M, LYS186I, LYS243I, LYS3M, LYS58M, MET23I, MET54M, MET99M, PHE208I, PHE241I, PHE30M, PHE36I, PHE56M, PHE62M, PHE8I, PRO14M, PRO15I, PRO15M, PRO20I, PRO235I, PRO32M, PRO33M, SER11M, SER13I, SER246I, SER4I, SER52M, SER55M, SER57M, SER61M, SER92I, SER99I, THR10I, THR190I, THR200I, THR233I, THR240I, THR28M, THR94I, TRP204I, TRP244I, TRP60M, TRP95M, TYR10M, TYR113I, TYR116I, TYR118I, TYR123I, TYR22I, TYR26M, TYR27I, TYR63M, TYR7I, VAL12I, VAL231I, VAL25I, VAL27M, VAL97I, VAL9I, VAL9M