3D68

crystal structure of a t325i/t329i/h333y/h335q mutant of thrombin- activatable fibrinolysis inhibitor (tafi-iiyq)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 78
  • Norm. En. per Res.: -3.5
• 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	2.1961	-15.7389	-13.5428	24	2	0	760	0	13	11
A-C	-31.1143	-39.165	-202.723	-273.0023	78	11	0	7959	10	20	30
B-C	-18.2194	0.0	-127.74	-145.9594	67	5	3	5811	0	8	10

Interface residues

• A-B: ASN279A, ASN279B, ASP307A, ASP307B, ASP353B, GLN280B, HIS308A, HIS308B, ILE278A, ILE278B, LYS240B, LYS282A, LYS304A, LYS304B, LYS306A, LYS306B, SER303A, SER305A, SER305B, TYR298A, TYR298B, TYR300B, TYR352A, TYR352B
• A-C: ALA148A, ALA148C, ALA315C, ALA318C, ALA321A, ALA321C, ALA388A, ALA388C, ALA389A, ALA394A, ALA394C, ARG191A, ARG191C, ARG320A, ARG320C, ARG399A, ARG399C, ASN150A, ASN150C, ASN188A, ASN188C, ASN400A, ASN400C, GLN185A, GLN185C, GLU145A, GLU317A, GLU317C, GLY184A, GLY184C, HIS396A, HIS396C, ILE183A, ILE183C, ILE325A, ILE325C, ILE393A, ILE393C, ILE398A, ILE398C, LEU189A, LEU189C, LEU192A, LEU192C, LEU313A, LEU313C, LYS149A, LYS149C, LYS324A, LYS324C, LYS357C, LYS392A, LYS392C, PHE387A, PHE387C, SER312C, SER316A, SER316C, SER391A, SER391C, THR147C, THR187A, THR187C, TRP395A, TRP395C, TYR186A, TYR186C, VAL193A, VAL193C, VAL314A, VAL314C, VAL319C, VAL390A, VAL390C, VAL397A, VAL397C, VAL401A, VAL401C
• B-C: ALA224B, ALA238B, ALA271B, ALA93C, ALA95C, ARG117C, ARG275B, ARG92C, ASN225B, ASN226B, ASN236B, ASP87C, CYS243B, CYS257B, GLN178C, GLU106C, GLU244B, GLU262B, GLU264B, GLY174C, GLY181C, GLY184C, GLY258B, HIS118C, HIS175C, HIS227B, HIS241B, ILE114C, ILE182C, ILE183C, LEU259B, LEU354B, LYS144C, LYS240B, LYS268B, LYS380C, PHE113C, PHE131B, PHE179C, PHE222B, PHE237B, PRO261B, PRO265B, PRO91C, SER221B, SER239B, SER249B, SER250B, SER251B, SER263B, SER272B, SER90C, SER94C, SER96C, THR177C, THR187C, THR88C, TRP242B, TRP350B, TYR180C, TYR223B, TYR256B, TYR260B, TYR97C, TYR98C, VAL267B, VAL89C