3MAC

crystal structure of gp41-derived protein complexed with fab 8062

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 189
  • Norm. En. per Res.: -2.7587
• 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-H	-12.9246	-3.2449	-216.107	-232.2765	86	4	4	8935	0	3	2
A-L	0.0	-19.2524	-71.1284	-90.3808	45	1	0	2828	2	8	5
H-L	-42.1656	-31.5981	-447.63	-521.3937	189	8	14	17222	4	15	15

Interface residues

• A-H: ALA20A, ALA213A, ALA33H, ALA37A, ARG16A, ARG214A, ARG38A, ARG97H, ASN103H, ASN104H, ASN30H, ASN58A, ASP100H, GLN109A, GLN202A, GLN210A, GLN212A, GLN21A, GLN22A, GLN26A, GLN34A, GLN36A, GLN64H, GLN72A, GLU19A, GLU69A, GLY207A, GLY31A, GLY49H, GLY55H, GLY65H, HIS23A, HIS65A, ILE120A, ILE18A, ILE208A, ILE215A, ILE32A, ILE39A, ILE51H, ILE52H, ILE57A, ILE64A, ILE68A, ILE69H, LEU15A, LEU201A, LEU211A, LEU216A, LEU24A, LEU25A, LEU27A, LEU35A, LEU53H, LYS209A, LYS33A, PHE29H, PHE34H, PHE54H, PHE56H, PHE99H, PRO52H, SER31H, SER35H, SER50H, SER62A, SER66A, THR101H, THR204A, THR28A, THR28H, THR61A, THR68H, TRP206A, TRP30A, TRP47H, TYR102H, TYR105H, TYR32H, TYR59H, TYR98H, VAL205A, VAL29A, VAL57H, VAL58H, VAL67H
• A-L: ALA37A, ARG38A, ARG55A, ASN26L, ASN51L, ASN52L, ASN58A, ASN59A, ASP54A, ASP91L, ASP96L, GLN26A, GLN34A, GLN36A, GLU30L, GLU52A, GLU69A, GLY31A, GLY49L, GLY97L, HIS65A, ILE32A, ILE57A, LEU35A, LEU40A, LYS33A, MET51A, MET93L, PRO28L, SER62A, SER66A, SER89L, SER92L, THR48A, THR49A, THR61A, THR94L, TRP30A, TRP50A, TRP53A, TRP90L, TYR29L, TYR31L, VAL29A, VAL95L
• H-L: ALA108H, ALA129L, ALA132H, ALA132L, ALA143H, ALA144H, ALA175H, ALA175L, ALA176L, ALA209L, ALA32L, ALA33H, ALA40H, ALA42L, ALA60H, ALA88L, ALA96H, ARG38H, ARG53L, ARG97H, ASN103H, ASN104H, ASN109H, ASN130L, ASN171L, ASN52L, ASP100H, ASP140L, ASP151H, ASP50L, ASP84L, ASP96L, CYS136L, CYS147H, CYS87L, CYS95H, GLN112H, GLN128L, GLN169L, GLN178H, GLN36L, GLN37L, GLN39H, GLN41L, GLN43H, GLN61H, GLN6H, GLU125L, GLU126L, GLU162L, GLU219H, GLU30L, GLU46H, GLY100L, GLY101L, GLY102L, GLY106H, GLY111H, GLY113H, GLY146H, GLY160L, GLY181H, GLY40L, GLY42H, GLY44H, GLY49H, GLY49L, GLY97L, HIS171H, ILE138L, ILE2L, ILE47L, ILE51H, ILE52H, LEU119L, LEU127L, LEU131H, LEU134L, LEU137L, LEU145H, LEU148H, LEU177H, LEU182H, LEU182L, LEU185H, LEU45H, LEU45L, LYS131L, LYS150H, LYS168L, LYS173L, LYS216H, LYS217H, LYS221H, LYS38L, LYS62H, MET48H, PHE107H, PHE120L, PHE129H, PHE141L, PHE173H, PHE224H, PHE34H, PHE56H, PHE99H, PHE99L, PRO121L, PRO122L, PRO130H, PRO133H, PRO166L, PRO174H, PRO184L, PRO28L, PRO39L, PRO41H, PRO43L, PRO54L, SER116L, SER123L, SER124L, SER127H, SER134H, SER135H, SER139L, SER167L, SER170L, SER177L, SER178L, SER179H, SER180H, SER181L, SER184H, SER186H, SER187H, SER222H, SER33L, SER35H, SER50H, SER55L, SER89L, THR101H, THR118L, THR133L, THR163L, THR164L, THR165L, THR172H, THR190H, THR211L, THR94L, TRP110H, TRP187L, TRP34L, TRP36H, TRP47H, TRP90L, TYR102H, TYR105H, TYR174L, TYR179L, TYR183H, TYR29L, TYR31L, TYR35L, TYR48L, TYR59H, TYR85L, TYR86L, TYR94H, TYR98H, VAL117L, VAL128H, VAL135L, VAL149H, VAL161L, VAL176H, VAL188H, VAL189H, VAL208L, VAL218H, VAL37H, VAL44L, VAL46L, VAL58H, VAL92H, VAL95L, VAL98L