3LHP

crystal structure of hiv epitope-scaffold 4e10_d0_1isea_004_n 4e10 fv complex

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: L-S
  • Int. Res.: 27
  • Norm. En. per Res.: -3.7144
• Hub Node: H(4)

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	0.0	0.0	-0.795	-0.795	6	0	0	117	0	1	1
H-L	-33.2147	0.0	-219.234	-252.4487	85	3	10	8206	0	3	5
H-M	0.0	9.7463	-6.9481	2.7981	20	0	0	493	0	4	7
H-S	0.0	-2.3586	-176.747	-179.1056	72	2	6	7359	0	3	6
I-L	-5.1409	-13.3417	-18.4525	-36.9351	18	1	0	751	2	7	8
I-M	-18.744	0.0	-215.231	-233.975	86	5	11	8295	0	3	6
I-T	0.0	0.0	-166.135	-166.135	64	12	7	6578	0	3	3
L-M	0.0	0.0	-61.7182	-61.7182	37	4	0	3119	0	3	3
L-S	-8.1012	-15.3172	-76.8699	-100.2883	27	6	1	2643	1	2	1
M-T	-5.1156	-6.7708	-52.1966	-64.083	24	5	1	1891	0	2	0

Interface residues

• H-I: ARG43H, ARG43I, GLY42H, GLY42I, GLY44I, PRO41H
• H-L: ALA113H, ALA115H, ALA35L, ALA40H, ALA44L, ALA52L, ALA61H, ALA97H, ARG38H, ARG40L, ARG43H, ARG46L, ARG63H, ARG98H, ASN59H, CYS89L, CYS96H, GLN101L, GLN119H, GLN38L, GLN39H, GLN39L, GLN43L, GLN65H, GLN6H, GLN90L, GLN91L, GLN94L, GLU1L, GLU46H, GLU99H, GLY100H, GLY100L, GLY102L, GLY103H, GLY112H, GLY118H, GLY120H, GLY42H, GLY42L, GLY44H, GLY49H, GLY50H, GLY51L, HIS116H, ILE111H, ILE49L, LEU34L, LEU45H, LEU47L, LEU48L, LEU96L, LYS109H, LYS33L, MET48H, PHE114H, PHE64H, PHE99L, PRO110H, PRO45L, PRO56L, PRO62H, SER35H, SER54L, SER57L, SER95L, SER97L, THR101H, THR102H, THR58H, THR98L, TRP117H, TRP36H, TRP36L, TRP47H, TYR37L, TYR50L, TYR60H, TYR87L, TYR88L, TYR92L, TYR95H, VAL37H, VAL86L, VAL93H
• H-M: ARG38H, ARG43H, ARG63H, ARG87H, GLN101M, GLN11M, GLU106M, GLU46H, GLU89H, GLY102M, GLY44H, GLY9M, LEU109M, LYS104M, PRO14H, PRO88H, PRO8M, SER12M, SER7M, THR10M
• H-S: ALA113H, ALA33H, ALA61H, ALA73S, ALA77S, ALA78S, ALA79S, ALA97H, ARG71S, ARG74H, ARG98H, ASN59H, ASN74S, ASN87S, ASP103S, ASP72S, ASP75S, ASP83S, ASP90S, ASP97S, GLN65H, GLN93S, GLN99S, GLU99H, GLY108H, GLY112H, GLY49H, GLY50H, GLY70S, GLY81S, ILE111H, ILE52H, ILE57H, ILE70H, ILE86S, ILE91S, LEU107H, LEU34H, LEU54H, LEU55H, LEU80S, LEU95S, LYS100S, LYS109H, LYS76S, LYS82S, LYS84S, MET48H, PHE114H, PHE89S, PRO110H, PRO53H, PRO62H, SER28H, SER30H, SER35H, SER92S, SER94S, THR101H, THR102H, THR31H, THR56H, THR58H, TRP36H, TRP47H, TRP88S, TRP96S, TYR32H, TYR60H, VAL37H, VAL51H, VAL98S
• I-L: ARG38I, ARG63I, ARG67I, ARG87I, GLN11L, GLN65I, GLU106L, GLU46I, GLU89I, GLY9L, LYS104L, PRO111L, PRO62I, PRO88I, PRO8L, SER12L, SER85I, THR10L
• I-M: ALA113I, ALA115I, ALA35M, ALA40I, ALA44M, ALA52M, ALA61I, ALA97I, ARG38I, ARG40M, ARG43I, ARG46M, ARG55M, ARG63I, ARG98I, ASN59I, CYS89M, CYS96I, GLN101M, GLN119I, GLN38M, GLN39I, GLN39M, GLN43M, GLN6I, GLN90M, GLN91M, GLN94M, GLU1M, GLU46I, GLU99I, GLY100I, GLY100M, GLY102M, GLY103I, GLY112I, GLY118I, GLY120I, GLY42I, GLY42M, GLY44I, GLY49I, GLY51M, HIS116I, ILE111I, ILE49M, LEU34M, LEU45I, LEU47M, LEU48M, LEU96M, 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, ALA77T, ALA78T, ALA79T, ALA97I, ARG71T, ARG74I, ARG98I, ASN59I, ASN74T, ASN87T, ASP75T, ASP83T, ASP90T, ASP97T, GLN93T, GLN99T, GLU99I, GLY100I, GLY108I, GLY112I, GLY49I, GLY50I, GLY81T, ILE111I, ILE52I, ILE57I, ILE70I, ILE86T, ILE91T, LEU107I, LEU34I, LEU54I, LEU55I, LEU80T, LEU95T, LYS100T, LYS109I, LYS76T, LYS82T, PHE114I, PHE89T, PRO110I, PRO53I, SER28I, SER30I, SER35I, SER92T, SER94T, THR101I, THR102I, THR31I, THR56I, THR58I, TRP36I, TRP47I, TRP88T, TRP96T, TYR32I, TYR60I, VAL37I, VAL51I, VAL98T
• L-M: ALA25L, ALA25M, ARG24L, ARG24M, CYS23L, GLN101L, GLN101M, GLN27L, GLN27M, GLN6L, GLN6M, GLU1L, GLU1M, GLY100L, GLY102L, GLY9L, ILE2L, ILE2M, LEU4L, LEU4M, LEU96M, PHE99L, PRO8L, SER22L, SER26L, SER26M, SER28M, SER7L, SER7M, THR103L, THR10L, THR5L, THR5M, THR70M, THR98M, VAL3L, VAL3M
• L-S: ASN31L, ASN87S, ASP83S, ASP90S, GLN90L, GLN91L, GLN93S, GLN94L, GLU1L, GLU85S, GLY30L, GLY81S, GLY93L, ILE86S, ILE91S, ILE9S, LEU80S, LEU96L, LYS33L, LYS84S, PHE89S, SER95L, SER97L, THR98L, TRP88S, TYR92L, VAL29L
• M-T: ASN31M, ASN87T, ASP83T, ASP90T, GLN90M, GLN91M, GLN93T, GLN94M, GLU85T, GLY30M, GLY81T, GLY93M, ILE86T, ILE91T, LEU96M, LYS33M, LYS84T, PHE89T, SER95M, SER97M, THR98M, TRP88T, TYR92M, VAL29M