3H3P

crystal structure of hiv epitope-scaffold 4e10 fv complex

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: M-T
  • Int. Res.: 22
  • Norm. En. per Res.: -3.5536
• Hub Node: I(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
H-I	-4.8926	0.0	-107.268	-112.1606	67	13	1	5538	0	3	9
H-L	-23.3236	0.0	-218.744	-242.0676	86	4	11	8374	2	3	5
H-S	-2.5669	0.0	-146.165	-148.7319	48	2	4	5499	0	3	2
I-L	0.0	0.0	-15.9066	-15.9066	11	1	0	578	0	1	1
I-M	-21.7809	0.0	-217.189	-238.9699	89	4	11	8350	0	3	5
I-T	0.0	-2.7947	-153.137	-155.9317	52	1	4	5731	0	3	2
L-S	-3.3833	-10.3004	-48.8201	-62.5038	22	2	1	1947	1	2	0
M-T	-9.8064	-14.7086	-53.6633	-78.1783	22	2	1	1914	2	2	0

Interface residues

• H-I: ALA24H, ALA24I, ALA79I, ALA9H, ALA9I, ARG13I, ASP73I, CYS22H, CYS22I, CYS96H, CYS96I, GLN119H, GLN119I, GLN3H, GLN3I, GLN6H, GLN6I, GLU10H, GLU10I, GLU82I, GLY118H, GLY120H, GLY120I, GLY26H, GLY26I, GLY8H, GLY8I, HIS116H, LEU122H, LEU122I, LEU4H, LEU4I, LEU81I, LYS12H, LYS12I, LYS23H, LYS23I, SER17I, SER21H, SER21I, SER25H, SER25I, SER75I, SER77I, SER7H, SER7I, THR121H, THR121I, THR19H, THR19I, THR76H, THR76I, THR78H, THR78I, TRP117H, TYR80H, TYR80I, TYR95H, VAL11H, VAL18H, VAL18I, VAL20H, VAL20I, VAL2H, VAL5H, VAL5I, VAL93H
• H-L: ALA113H, ALA115H, ALA35L, ALA44L, ALA52L, ALA61H, ALA97H, ARG38H, ARG40L, ARG43H, ARG46L, ARG55L, ARG63H, ARG98H, ASN59H, CYS89L, CYS96H, GLN101L, GLN119H, GLN1H, GLN38L, GLN39H, GLN39L, GLN43L, GLN6H, GLN90L, GLN91L, GLN94L, GLU1L, GLU46H, GLU99H, GLY100H, GLY100L, GLY102L, GLY103H, GLY112H, GLY118H, GLY120H, GLY42H, GLY42L, GLY44H, GLY49H, GLY51L, HIS116H, ILE111H, ILE49L, LEU34L, LEU45H, LEU47L, LEU48L, LEU96L, LYS109H, LYS33L, MET48H, PHE114H, PHE64H, PHE99L, PRO110H, PRO41L, PRO45L, PRO56L, PRO62H, SER35H, SER54L, SER57L, SER95L, SER97L, THR101H, THR102H, THR58H, THR98L, TRP117H, TRP36H, TRP36L, TRP47H, TYR37L, TYR50L, TYR60H, TYR87L, TYR88L, TYR92L, TYR95H, VAL37H, VAL3L, VAL86L, VAL93H
• H-S: ALA113H, ALA33H, ALA52S, ALA97H, ARG98H, ASN46S, ASN59H, ASP49S, GLN53S, GLN59S, GLU56S, GLU99H, GLY108H, GLY112H, GLY49H, GLY50H, ILE111H, ILE50S, ILE52H, ILE57H, ILE70H, LEU107H, LEU34H, LEU54H, LEU54S, LEU55H, LYS109H, PHE114H, PHE48S, PHE57S, PRO110H, PRO53H, SER30H, SER35H, SER58S, THR101H, THR102H, THR31H, THR51S, THR56H, THR58H, TRP36H, TRP47H, TRP47S, TRP55S, TYR32H, TYR60H, VAL51H
• I-L: ALA44L, ARG40L, ARG74I, ASP73I, GLN43L, GLY42L, LYS23I, PRO41L, SER75I, SER77I, THR76I
• I-M: ALA113I, ALA115I, ALA35M, ALA44M, ALA52M, ALA61I, ALA97I, ARG38I, ARG40M, ARG43I, ARG46M, ARG55M, ARG63I, ARG98I, ASN59I, CYS89M, CYS96I, GLN101M, GLN119I, GLN38M, GLN39I, GLN39M, GLN43M, GLN6I, GLN6M, GLN90M, GLN91M, GLN94M, GLU1M, GLU46I, GLU99I, GLY100I, GLY100M, GLY102M, GLY103I, GLY112I, GLY118I, GLY120I, GLY42I, GLY42M, GLY44I, GLY49I, GLY50I, GLY51M, HIS116I, ILE111I, ILE49M, ILE57I, LEU34M, LEU45I, LEU47M, LEU48M, LEU96M, LYS104M, LYS109I, LYS33M, MET48I, PHE114I, PHE64I, PHE99M, PRO110I, PRO41M, PRO45M, PRO56M, PRO62I, SER35I, SER54M, SER57M, SER95M, SER97M, THR101I, THR102I, THR58I, THR98M, TRP117I, TRP36I, TRP36M, TRP47I, TYR37M, TYR50M, TYR60I, TYR87M, TYR88M, TYR92M, TYR95I, VAL37I, VAL59M, VAL86M, VAL93I
• I-T: ALA113I, ALA33I, ALA52T, ALA97I, ARG62T, ARG98I, ASN46T, ASN59I, ASP49T, GLN53T, GLN59T, GLU56T, GLU99I, GLY100I, GLY108I, GLY112I, GLY49I, GLY50I, ILE111I, ILE50T, ILE52I, ILE57I, ILE70I, LEU107I, LEU34I, LEU54I, LEU54T, LEU55I, LEU61T, LYS109I, PHE114I, PHE48T, PHE57T, PRO110I, PRO53I, SER28I, SER30I, SER35I, SER58T, THR101I, THR102I, THR31I, THR51T, THR56I, THR58I, TRP36I, TRP47I, TRP47T, TRP55T, TYR32I, TYR60I, VAL51I
• L-S: ALA52S, ASN31L, ASN46S, ASP44S, ASP49S, GLN90L, GLN91L, GLN94L, GLY30L, GLY93L, ILE50S, LEU96L, LYS33L, PHE48S, PHE99L, PRO45S, SER95L, SER97L, THR98L, TRP47S, TYR92L, VAL29L
• M-T: ALA52T, ASN31M, ASN46T, ASP44T, ASP49T, GLN90M, GLN91M, GLN94M, GLY30M, GLY93M, ILE50T, LEU96M, LYS33M, PHE48T, PRO45T, SER95M, SER97M, THR98M, TRP47T, TYR37M, TYR92M, VAL29M