1S12

crystal structure of tm1457

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 85
  • Norm. En. per Res.: -2.0764
• 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	0.0	4.3582	-10.4723	-6.1141	12	0	0	482	0	5	9
A-D	-10.0401	-19.4898	-146.967	-176.4969	85	14	9	8561	2	17	32
B-C	-21.6843	-13.6913	-129.206	-164.5816	85	12	9	8382	2	17	30
B-D	0.0	3.3821	-9.6953	-6.3132	14	0	0	600	0	6	10
C-D	0.0	0.6854	-8.1901	-7.5047	13	0	0	544	0	10	15

Interface residues

• A-B: ARG72A, GLN79A, GLU148B, GLU76A, GLY150B, ILE145B, LYS146B, LYS147B, LYS75A, LYS80A, SER149B, TYR151B
• A-D: ALA24A, ALA324D, ALA339D, ALA34A, ALA368D, ALA369D, ALA39A, ALA68A, ALA69A, ARG372D, ARG72A, ASN335D, ASN35A, ASN361D, ASN61A, ASP19A, ASP319D, CYS23A, CYS323D, CYS362D, CYS62A, GLN31A, GLN331D, GLU340D, GLU360D, GLU363D, GLU376D, GLU40A, GLU60A, GLU63A, GLU76A, HIS32A, HIS332D, ILE385D, LEU22A, LEU28A, LEU29A, LEU322D, LEU328D, LEU329D, LEU367D, LEU374D, LEU377D, LEU37A, LEU67A, LEU74A, LEU77A, LYS20A, LYS320D, LYS342D, LYS365D, LYS375D, LYS380D, LYS38A, LYS41A, LYS42A, LYS47A, LYS65A, LYS80A, MET370D, MET70A, PHE336D, PHE36A, PHE381D, PHE81A, SER25A, SER27A, SER325D, SER327D, SER373D, SER73A, THR21A, THR30A, THR321D, THR330D, VAL26A, VAL326D, VAL333D, VAL33A, VAL364D, VAL366D, VAL371D, VAL64A, VAL66A, VAL71A
• B-C: ALA124B, ALA134B, ALA139B, ALA168B, ALA169B, ALA224C, ALA239C, ALA268C, ALA269C, ARG172B, ARG272C, ASN135B, ASN161B, ASN235C, ASN261C, ASP119B, ASP219C, CYS123B, CYS162B, CYS223C, CYS262C, GLN131B, GLU140B, GLU160B, GLU163B, GLU176B, GLU240C, GLU260C, GLU263C, GLU276C, HIS132B, HIS232C, ILE285C, LEU122B, LEU128B, LEU129B, LEU137B, LEU167B, LEU174B, LEU177B, LEU222C, LEU228C, LEU229C, LEU237C, LEU267C, LEU274C, LEU277C, LYS120B, LYS138B, LYS141B, LYS142B, LYS147B, LYS165B, LYS180B, LYS220C, LYS242C, LYS265C, LYS275C, LYS280C, MET170B, MET270C, PHE136B, PHE181B, PHE236C, PHE281C, SER125B, SER127B, SER173B, SER225C, SER227C, SER273C, THR121B, THR130B, THR221C, THR230C, VAL126B, VAL133B, VAL164B, VAL166B, VAL171B, VAL226C, VAL233C, VAL264C, VAL266C, VAL271C
• B-D: ALA139B, ALA143B, ALA339D, ASN135B, GLU140B, GLU340D, ILE145B, LEU137B, LYS138B, LYS141B, LYS142B, LYS144B, LYS338D, LYS341D
• C-D: ARG272C, GLN279C, GLU276C, GLU278C, GLU348D, ILE345D, LYS280C, LYS338D, LYS344D, LYS346D, LYS347D, PRO282C, SER349D