3OIS

crystal structure xylellain, a cysteine protease from xylella fastidiosa

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -4.4021
• Hub Node: A(2)

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	-98.0711	-184.3093	-509.995	-792.3754	180	33	9	22108	16	75	104
A-D	0.0	-5.3692	-40.1949	-45.5641	39	0	0	1880	0	10	13
B-C	0.0	33.6083	-18.7091	14.8992	19	1	0	707	0	17	18
B-D	0.0	0.0	-0.3391	-0.3391	2	0	0	62	0	2	2
C-D	-91.3483	-116.3843	-510.0	-717.7326	177	23	5	21713	11	75	101

Interface residues

• A-B: ALA124A, ALA124B, ALA151A, ALA151B, ALA280A, ALA280B, ALA40A, ALA40B, ARG112A, ARG112B, ARG127A, ARG127B, ARG154A, ARG154B, ARG186A, ARG186B, ARG27A, ARG27B, ARG28A, ARG28B, ARG43A, ARG43B, ASN110A, ASN110B, ASN119A, ASN119B, ASN212A, ASN212B, ASN230A, ASN230B, ASN276A, ASN276B, ASP121A, ASP121B, ASP128A, ASP128B, ASP152A, ASP152B, ASP231A, ASP231B, ASP281A, ASP281B, ASP282A, ASP282B, ASP38A, ASP38B, ASP41A, ASP41B, ASP44A, ASP44B, GLN177A, GLN177B, GLN278A, GLN278B, GLU111A, GLU111B, GLU115A, GLU115B, GLU156A, GLU156B, GLU157A, GLU157B, GLU234A, GLU234B, GLY116A, GLY116B, GLY123A, GLY123B, GLY129A, GLY129B, GLY137A, GLY137B, GLY235A, GLY235B, GLY236A, GLY236B, GLY34A, GLY34B, HIS117A, HIS117B, HIS134A, HIS134B, HIS237A, HIS237B, ILE107A, ILE107B, ILE114A, ILE114B, ILE130A, ILE130B, ILE36A, ILE36B, ILE39A, ILE39B, ILE42A, ILE42B, LEU133A, LEU133B, LEU136A, LEU136B, LEU226A, LEU226B, LEU233A, LEU233B, LEU25A, LEU25B, LEU279A, LEU279B, LYS113A, LYS113B, LYS131A, LYS131B, LYS135A, LYS135B, LYS167B, LYS180A, LYS180B, LYS229A, LYS229B, LYS26A, LYS26B, LYS29A, LYS29B, LYS30A, LYS30B, MET125A, MET125B, PHE106A, PHE106B, PHE158A, PHE158B, PHE208A, PHE208B, PHE45A, PHE45B, PRO153A, PRO153B, PRO227A, PRO227B, PRO37A, PRO37B, SER122A, SER122B, SER209A, SER209B, SER213A, SER213B, SER46A, SER46B, THR155A, THR155B, THR228A, THR228B, THR232A, THR232B, THR23A, THR277A, THR277B, TRP284A, TYR109A, TYR109B, TYR120A, TYR120B, TYR173A, TYR173B, TYR211A, TYR211B, TYR273A, TYR33A, TYR33B, TYR35A, TYR35B, VAL118A, VAL118B, VAL132A, VAL132B, VAL210A, VAL210B, VAL24A, VAL24B
• A-D: ALA55D, ARG186A, ARG290A, ARG290D, ARG43A, ARG43D, ASP44A, ASP44D, GLU183A, GLU183D, GLU50A, GLU50D, LYS287A, LYS287D, LYS51A, LYS51D, PHE45A, PHE45D, PRO49A, PRO49D, SER185A, SER185D, SER46A, SER46D, SER52A, SER52D, THR182A, THR182D, THR288D, THR48A, THR48D, TYR184A, TYR184D, TYR47A, TYR47D, VAL289A, VAL289D, VAL53A, VAL53D
• B-C: ARG249B, ARG249C, ASP246B, ASP246C, GLU247B, GLU247C, GLU272B, GLU272C, ILE191B, ILE191C, ILE248C, LEU57B, LYS195B, LYS195C, PRO58B, PRO59B, PRO59C, TYR271B, TYR271C
• B-D: LYS229B, LYS51D
• C-D: ALA124C, ALA124D, ALA151C, ALA151D, ALA280C, ALA280D, ALA40C, ALA40D, ARG112C, ARG112D, ARG127C, ARG127D, ARG154C, ARG154D, ARG186C, ARG186D, ARG27C, ARG27D, ARG28C, ARG28D, ARG43C, ARG43D, ASN110C, ASN110D, ASN119C, ASN119D, ASN212C, ASN212D, ASN230C, ASN230D, ASN276C, ASN276D, ASP121C, ASP121D, ASP128C, ASP128D, ASP152C, ASP152D, ASP231C, ASP231D, ASP281C, ASP281D, ASP282C, ASP282D, ASP38C, ASP38D, ASP41C, ASP41D, ASP44C, ASP44D, GLN177C, GLN177D, GLN278C, GLN278D, GLU111C, GLU111D, GLU115C, GLU115D, GLU156C, GLU156D, GLU157C, GLU157D, GLU234C, GLU234D, GLY116C, GLY116D, GLY123C, GLY123D, GLY129C, GLY137C, GLY137D, GLY235C, GLY235D, GLY236C, GLY236D, GLY34C, GLY34D, HIS117C, HIS117D, HIS134C, HIS134D, HIS237C, HIS237D, ILE107C, ILE107D, ILE114C, ILE114D, ILE130C, ILE130D, ILE36C, ILE36D, ILE39C, ILE39D, ILE42C, ILE42D, LEU133C, LEU133D, LEU136C, LEU136D, LEU226C, LEU226D, LEU233C, LEU233D, LEU25C, LEU25D, LEU279C, LEU279D, LYS113C, LYS113D, LYS131C, LYS131D, LYS135C, LYS135D, LYS167C, LYS180C, LYS229C, LYS229D, LYS26C, LYS26D, LYS29C, LYS29D, LYS30C, LYS30D, MET125C, MET125D, PHE106C, PHE106D, PHE158C, PHE158D, PHE208C, PHE208D, PHE45C, PHE45D, PRO153C, PRO227C, PRO227D, PRO37C, PRO37D, SER122C, SER122D, SER209C, SER209D, SER213C, SER46C, SER46D, THR155C, THR155D, THR228C, THR228D, THR232C, THR232D, THR23D, THR277C, THR277D, TRP284C, TYR109C, TYR109D, TYR120C, TYR120D, TYR173C, TYR173D, TYR211C, TYR211D, TYR273C, TYR273D, TYR33C, TYR33D, TYR35C, TYR35D, VAL118C, VAL118D, VAL132C, VAL132D, VAL210C, VAL210D, VAL24C, VAL24D