3PCS

structure of espg-pak2 autoinhibitory ialpha3 helix complex

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 70
  • Norm. En. per Res.: -3.6302
• 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	-16.3445	-1.9537	-105.915	-124.2133	51	15	2	4443	0	5	8
A-D	-32.8973	-12.7442	-202.607	-248.2484	111	17	1	9527	4	50	38
A-E	-50.2119	-2.3661	-183.891	-236.469	72	7	9	7792	0	10	10
B-C	-29.3115	5.9394	-240.404	-263.7761	109	22	1	10935	0	18	24
B-F	-45.2094	-10.0846	-168.31	-223.604	70	6	9	7486	0	10	10
B-G	0.0	0.0	-0.3337	-0.3337	3	0	0	30	0	0	1
C-F	0.0	0.0	-0.3771	-0.3771	4	0	0	41	0	0	1
C-G	-42.3066	-4.046	-172.663	-219.0157	68	15	8	7463	0	10	9
D-H	-63.612	-10.545	-179.957	-254.1139	70	12	8	7896	0	11	11

Interface residues

• A-B: ALA157B, ALA188A, ALA383A, ARG156B, ARG387A, ARG69B, ARG72B, ASN187A, ASN397B, ASN64B, ASP162B, ASP191A, GLN189A, GLN385A, GLN396B, GLN73B, GLN76B, GLU160B, GLU357B, GLU71B, GLY195A, HIS148A, HIS186A, LEU158B, LEU183A, LEU193A, LEU302A, LEU384A, LEU395B, MET161B, MET358B, MET380A, PHE199A, PHE295A, PRO185A, PRO192A, PRO196A, PRO198A, PRO386A, PRO65B, SER159B, SER194A, SER382A, SER68B, SER70B, THR190A, THR301A, THR66B, TYR388A, TYR67B, VAL381A
• A-D: ALA122D, ALA233D, ALA257D, ALA261D, ALA272D, ALA283D, ALA350A, ARG106D, ARG120D, ARG138A, ARG147A, ARG156A, ARG245D, ARG254D, ARG262D, ARG306A, ARG354A, ARG98D, ASN123D, ASN124D, ASN134A, ASN137A, ASN246D, ASN337D, ASN356A, ASN397A, ASN64A, ASP101D, ASP249D, ASP256D, ASP268D, ASP335D, ASP353A, CYS279D, GLN136A, GLN141A, GLN153A, GLN259D, GLN270D, GLN332D, GLN371D, GLN396A, GLU113A, GLU125D, GLU132A, GLU135A, GLU258D, GLU263D, GLU273D, GLU276D, GLU282D, GLU352A, GLU357A, GLU392A, GLY102D, GLY251D, GLY266D, GLY336D, GLY61A, HIS148A, HIS155A, HIS250D, HIS255D, HIS280D, ILE145A, ILE152A, ILE248D, ILE252D, ILE260D, LEU114A, LEU131A, LEU139A, LEU140A, LEU234D, LEU278D, LEU395A, LYS269D, LYS271D, LYS42D, MET149A, PHE277D, PHE60A, PHE99D, PRO150A, PRO281D, PRO351A, PRO355A, PRO65A, SER100D, SER103D, SER112A, SER133A, SER142A, SER180A, SER253D, SER267D, SER333D, SER334D, SER59A, THR121D, THR182A, THR244D, THR66A, TRP63A, TYR151A, TYR313A, TYR394A, VAL154A, VAL247D, VAL274D, VAL275D
• A-E: ALA122E, ALA213A, ALA224A, ALA299A, ALA310A, ALA315A, ALA324A, ARG170A, ARG208A, ARG231A, ARG306A, ASN133E, ASN212A, ASN296A, ASN314A, ASN323A, ASN327A, ASN363A, ASP125E, ASP131E, ASP205A, CYS325A, GLN227A, GLN293A, GLU305A, GLU312A, GLY209A, GLY211A, GLY345A, HIS304A, HIS343A, ILE307A, ILE326A, ILE348A, LEU124E, LEU127E, LEU173A, LEU210A, LEU300A, LEU302A, LEU347A, LEU361A, LYS128E, LYS214A, LYS228A, LYS309A, MET169A, PHE129E, PHE291A, PHE295A, PRO192A, PRO298A, PRO322A, SER132E, SER201A, SER294A, SER308A, SER311A, THR134E, THR166A, THR167A, THR190A, THR301A, THR303A, THR321A, THR344A, TYR130E, TYR292A, VAL123E, VAL126E, VAL297A, VAL346A
• B-C: ALA188B, ALA188C, ALA299B, ALA299C, ALA350B, ALA350C, ALA389B, ALA389C, ALA390B, ALA390C, ARG147B, ARG147C, ARG306B, ARG306C, ARG354B, ARG354C, ARG387B, ARG387C, ASN111B, ASN111C, ASN187B, ASN187C, ASP191B, ASP191C, ASP353B, ASP353C, GLN153B, GLN153C, GLN189B, GLN189C, GLN385B, GLN385C, GLU305B, GLU305C, GLU352B, GLU352C, GLU392B, GLU392C, GLY195B, GLY195C, HIS148B, HIS148C, HIS186B, HIS186C, HIS304B, HIS304C, ILE152B, ILE152C, ILE184B, ILE184C, ILE307B, ILE307C, ILE348B, ILE348C, LEU183B, LEU183C, LEU300B, LEU300C, LEU302B, LEU302C, LEU361B, LEU361C, LYS309B, LYS309C, MET149B, MET149C, MET349B, MET349C, PRO150B, PRO150C, PRO185B, PRO185C, PRO196B, PRO196C, PRO198B, PRO298B, PRO298C, PRO351B, PRO351C, PRO386B, PRO386C, SER112B, SER112C, SER194B, SER194C, SER308B, SER308C, SER391B, SER391C, THR182B, THR182C, THR190B, THR190C, THR197B, THR197C, THR301B, THR301C, THR303B, THR303C, TYR151B, TYR151C, TYR388B, TYR388C, TYR394B, TYR394C, VAL154B, VAL154C, VAL297B, VAL297C
• B-F: ALA122F, ALA213B, ALA224B, ALA299B, ALA310B, ALA315B, ALA324B, ARG170B, ARG208B, ARG231B, ASN133F, ASN212B, ASN296B, ASN314B, ASN323B, ASN327B, ASN363B, ASP125F, ASP131F, ASP205B, ASP320B, CYS325B, GLN189B, GLN227B, GLN293B, GLU305B, GLU312B, GLY209B, GLY211B, GLY345B, HIS304B, HIS343B, ILE307B, ILE326B, LEU124F, LEU127F, LEU210B, LEU300B, LEU302B, LEU319B, LEU347B, LEU361B, LYS128F, LYS228B, LYS309B, MET169B, PHE129F, PHE291B, PHE295B, PRO192B, PRO298B, PRO322B, SER132F, SER201B, SER294B, SER308B, SER311B, THR166B, THR167B, THR190B, THR301B, THR303B, THR321B, THR344B, TYR130F, TYR292B, VAL123F, VAL126F, VAL297B, VAL346B
• B-G: GLU305B, HIS304B, VAL123G
• C-F: ALA122F, GLU305C, HIS304C, VAL123F
• C-G: ALA213C, ALA224C, ALA299C, ALA310C, ALA315C, ALA324C, ARG170C, ARG208C, ARG231C, ASN212C, ASN296C, ASN314C, ASN323C, ASN327C, ASN363C, ASP125G, ASP131G, ASP165C, ASP205C, CYS325C, GLN189C, GLN227C, GLN293C, GLU305C, GLU312C, GLY209C, GLY211C, GLY345C, HIS304C, HIS343C, ILE307C, ILE326C, LEU124G, LEU127G, LEU173C, LEU210C, LEU300C, LEU302C, LEU347C, LEU361C, LYS128G, LYS214C, LYS228C, LYS309C, MET169C, PHE129G, PHE291C, PHE295C, PRO192C, PRO298C, PRO322C, SER132G, SER201C, SER294C, SER308C, SER311C, THR166C, THR167C, THR190C, THR301C, THR303C, THR344C, TYR130G, TYR292C, VAL123G, VAL126G, VAL297C, VAL346C
• D-H: ALA122H, ALA213D, ALA224D, ALA299D, ALA310D, ALA315D, ALA324D, ARG170D, ARG208D, ARG231D, ASN133H, ASN212D, ASN296D, ASN314D, ASN323D, ASN327D, ASN363D, ASP125H, ASP131H, ASP205D, ASP320D, CYS325D, GLN189D, GLN293D, GLU305D, GLU312D, GLY209D, GLY211D, GLY345D, HIS304D, HIS343D, ILE307D, ILE326D, LEU124H, LEU127H, LEU210D, LEU300D, LEU302D, LEU347D, LEU361D, LYS128H, LYS214D, LYS228D, LYS309D, MET169D, PHE129H, PHE291D, PHE295D, PRO192D, PRO298D, PRO322D, SER132H, SER201D, SER294D, SER308D, SER311D, THR134H, THR166D, THR167D, THR190D, THR301D, THR303D, THR321D, THR344D, TYR130H, TYR292D, VAL123H, VAL126H, VAL297D, VAL346D