1KXG

the 2.0 ang resolution structure of blys, b lymphocyte stimulator.

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 97
  • Norm. En. per Res.: -4.6529
• 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	-98.927	-12.8886	-261.805	-373.6206	97	25	8	10085	0	8	4
A-C	-115.1368	-35.3159	-293.226	-443.6786	96	17	9	10690	1	7	5
A-D	-6.8292	19.0884	-63.6261	-51.3669	31	1	2	2534	0	13	11
A-F	-26.1171	-41.2653	-107.576	-174.9584	57	3	6	4623	2	36	22
B-C	-85.0597	-33.9629	-280.312	-399.3345	100	20	9	10601	2	7	4
B-F	-6.9429	18.46	-60.9823	-49.4652	28	1	1	2373	0	13	11
D-E	-100.9069	-49.9453	-300.784	-451.6362	99	26	7	10858	3	7	4
D-F	-119.7389	-32.0293	-299.564	-451.3322	97	19	8	10783	1	9	4
E-F	-108.291	-35.7531	-289.119	-433.1631	97	19	10	10429	1	7	5

Interface residues

• A-B: ALA207A, ALA248A, ALA248B, ALA251A, ALA281B, ARG174B, ARG231A, ASN235A, ASN235B, ASN242B, ASN243A, ASN243B, ASP145B, ASP203B, ASP273B, ASP275B, CYS146B, CYS232A, CYS245A, CYS245B, GLN144A, GLN144B, GLN148B, GLN198B, GLN213A, GLN234A, GLN234B, GLU238B, GLY175B, GLY191A, GLY197B, GLY209A, GLY249A, GLY274B, GLY280B, HIS210A, ILE150B, ILE195A, ILE212A, ILE233A, ILE250A, LEU147B, LEU149B, LEU200B, LEU211A, LEU229A, LEU240B, LEU282A, LEU282B, LEU284A, LEU284B, LEU285A, LEU285B, LYS173B, LYS204B, LYS252A, LYS283A, LYS283B, MET208A, MET236A, MET236B, PHE172B, PHE193A, PHE194A, PHE194B, PHE230A, PHE278B, PHE279B, PRO237A, PRO237B, PRO241B, SER171B, SER244A, SER244B, SER247A, SER247B, SER271B, THR143A, THR143B, THR190A, THR202B, THR205B, THR228A, THR239B, THR277B, TYR192A, TYR196A, TYR196B, TYR201B, TYR206A, TYR246A, TYR246B, VAL142A, VAL142B, VAL199B, VAL227A, VAL276B
• A-C: ALA207C, ALA248A, ALA248C, ALA251C, ALA281A, ARG174A, ARG231C, ASN235A, ASN235C, ASN242A, ASN243A, ASN243C, ASP145A, ASP203A, ASP273A, ASP275A, CYS146A, CYS232C, CYS245A, CYS245C, GLN144A, GLN144C, GLN148A, GLN198A, GLN234A, GLN234C, GLU238A, GLU238C, GLY175A, GLY191C, GLY197A, GLY209C, GLY249C, GLY274A, GLY280A, HIS210C, ILE150A, ILE195C, ILE212C, ILE233C, ILE250C, LEU147A, LEU149A, LEU200A, LEU211C, LEU229C, LEU240A, LEU272A, LEU282A, LEU282C, LEU284A, LEU284C, LEU285A, LEU285C, LYS173A, LYS204A, LYS252C, LYS283A, LYS283C, MET208C, MET236A, MET236C, PHE172A, PHE193C, PHE194A, PHE194C, PHE230C, PHE278A, PHE279A, PRO237A, PRO237C, PRO241A, SER171A, SER244A, SER244C, SER247A, SER247C, SER271A, THR143A, THR190C, THR202A, THR228C, THR239A, THR277A, TYR192C, TYR196A, TYR196C, TYR201A, TYR206C, TYR246A, TYR246C, VAL142A, VAL142C, VAL199A, VAL227C, VAL276A
• A-D: ALA151D, ARG174D, ASP222A, ASP273D, ASP275D, GLN148D, GLU154D, GLU223A, GLU254A, GLY221A, GLY274D, HIS218A, ILE150D, LEU149D, LEU169D, LEU170D, LEU224A, LEU226A, LYS173D, LYS216A, PHE172D, PHE220A, PHE278D, SER153D, SER171D, SER225A, THR277D, TYR196D, VAL217A, VAL219A, VAL276D
• A-F: ALA251A, ALA251F, ARG214A, ARG214F, ARG231A, ARG231F, ASP222A, ASP222F, GLN213A, GLN213F, GLU223A, GLU223F, GLU254A, GLU254F, GLY221A, GLY221F, GLY249A, GLY249F, HIS218A, HIS218F, ILE195A, ILE195F, ILE212A, ILE212F, ILE250A, ILE250F, LEU211A, LEU211F, LEU224A, LEU224F, LEU226A, LEU226F, LEU229A, LEU229F, LEU253A, LEU253F, LYS216A, LYS216F, LYS252A, LYS252F, PHE193A, PHE193F, PHE220A, PHE220F, PHE230A, PHE230F, THR190A, THR190F, THR228A, THR228F, TYR192A, TYR192F, VAL217F, VAL219A, VAL219F, VAL227A, VAL227F
• B-C: ALA207B, ALA248B, ALA248C, ALA251B, ALA281C, ARG174C, ARG231B, ASN235B, ASN235C, ASN242C, ASN243B, ASN243C, ASP145C, ASP203C, ASP273C, ASP275C, CYS146C, CYS232B, CYS232C, CYS245B, CYS245C, GLN144B, GLN144C, GLN148C, GLN198C, GLN234B, GLN234C, GLU238B, GLU238C, GLY175C, GLY191B, GLY197B, GLY197C, GLY209B, GLY249B, GLY274C, GLY280C, HIS210B, ILE150C, ILE195B, ILE212B, ILE233B, ILE250B, LEU147C, LEU149C, LEU200C, LEU211B, LEU229B, LEU240C, LEU272C, LEU282B, LEU282C, LEU284B, LEU284C, LEU285B, LEU285C, LYS173C, LYS204C, LYS252B, LYS283B, LYS283C, MET208B, MET236B, MET236C, PHE172C, PHE193B, PHE194B, PHE194C, PHE230B, PHE278C, PHE279C, PRO237B, PRO237C, PRO241C, SER171C, SER244B, SER244C, SER247B, SER247C, SER271C, THR143B, THR143C, THR190B, THR202C, THR205B, THR228B, THR239C, THR277C, TYR192B, TYR196B, TYR196C, TYR201C, TYR206B, TYR246B, TYR246C, VAL142B, VAL142C, VAL199C, VAL227B, VAL276C
• B-F: ALA151B, ARG174B, ASP152B, ASP222F, ASP273B, ASP275B, GLN148B, GLU154B, GLU223F, GLY221F, GLY274B, HIS218F, ILE150B, LEU149B, LEU169B, LEU170B, LYS173B, LYS216F, PHE172B, PHE220F, PHE278B, SER171B, SER225F, THR277B, TYR196B, VAL217F, VAL219F, VAL276B
• D-E: ALA207D, ALA248D, ALA248E, ALA251D, ALA281E, ARG174E, ARG231D, ASN235D, ASN235E, ASN242E, ASN243D, ASN243E, ASP145E, ASP203E, ASP273E, ASP275E, CYS146E, CYS232D, CYS245D, CYS245E, GLN144D, GLN144E, GLN148E, GLN198E, GLN234D, GLN234E, GLU238E, GLY175E, GLY191D, GLY197E, GLY209D, GLY249D, GLY274E, GLY280E, HIS210D, ILE150E, ILE195D, ILE195E, ILE212D, ILE233D, ILE250D, LEU147E, LEU149E, LEU200E, LEU211D, LEU229D, LEU240E, LEU272E, LEU282D, LEU282E, LEU284D, LEU284E, LEU285D, LEU285E, LYS173E, LYS204E, LYS252D, LYS283D, LYS283E, MET208D, MET236D, MET236E, PHE172E, PHE193D, PHE194D, PHE194E, PHE230D, PHE278E, PHE279E, PRO237D, PRO237E, PRO241E, SER171E, SER244D, SER244E, SER247D, SER247E, SER271E, THR143D, THR143E, THR190D, THR202E, THR205D, THR205E, THR228D, THR239E, THR277E, TYR192D, TYR196D, TYR196E, TYR201E, TYR206D, TYR246D, TYR246E, VAL142D, VAL142E, VAL199E, VAL227D, VAL276E
• D-F: ALA207F, ALA248D, ALA248F, ALA251F, ALA281D, ARG174D, ARG231F, ASN235D, ASN235F, ASN242D, ASN243D, ASN243F, ASP145D, ASP273D, ASP275D, CYS146D, CYS232D, CYS232F, CYS245D, CYS245F, GLN144D, GLN144F, GLN148D, GLN198D, GLN213F, GLN234D, GLN234F, GLU238F, GLY175D, GLY191F, GLY197D, GLY209F, GLY249F, GLY274D, GLY280D, HIS210F, ILE150D, ILE195F, ILE212F, ILE233F, ILE250F, LEU147D, LEU149D, LEU200D, LEU211F, LEU229F, LEU240D, LEU272D, LEU282D, LEU282F, LEU284D, LEU284F, LEU285D, LEU285F, LYS173D, LYS252F, LYS283D, LYS283F, MET208F, MET236D, MET236F, PHE172D, PHE193F, PHE194D, PHE194F, PHE230F, PHE278D, PHE279D, PRO237D, PRO237F, PRO241D, SER171D, SER244D, SER244F, SER247D, SER247F, SER271D, THR143D, THR143F, THR190F, THR202D, THR205F, THR228F, THR239D, THR277D, TYR192F, TYR196D, TYR196F, TYR201D, TYR206F, TYR246D, TYR246F, VAL142D, VAL142F, VAL199D, VAL227F, VAL276D
• E-F: ALA207E, ALA248E, ALA248F, ALA251E, ALA281F, ARG174F, ARG231E, ASN235E, ASN235F, ASN242F, ASN243E, ASN243F, ASP145F, ASP203F, ASP273F, ASP275F, CYS146F, CYS232E, CYS232F, CYS245E, CYS245F, GLN144E, GLN144F, GLN148F, GLN198F, GLN234E, GLN234F, GLU238E, GLU238F, GLY175F, GLY191E, GLY197F, GLY209E, GLY249E, GLY274F, GLY280F, HIS210E, ILE150F, ILE195E, ILE212E, ILE233E, ILE250E, LEU147F, LEU200F, LEU211E, LEU229E, LEU240F, LEU272F, LEU282E, LEU282F, LEU284E, LEU284F, LEU285E, LEU285F, LYS173F, LYS204F, LYS252E, LYS283E, LYS283F, MET208E, MET236E, MET236F, PHE172F, PHE193E, PHE194E, PHE194F, PHE230E, PHE278F, PRO237E, PRO237F, PRO241F, SER171F, SER244E, SER244F, SER247E, SER247F, SER271F, THR143F, THR190E, THR202F, THR205E, THR205F, THR228E, THR239F, THR277F, TYR192E, TYR196E, TYR196F, TYR201F, TYR206E, TYR246E, TYR246F, VAL142E, VAL142F, VAL199F, VAL227E, VAL276F