3LEX

2f5 epitope scaffold elicited anti-hiv-1 monoclonal antibody 11f10 in complex with hiv-1 gp41

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 25
  • Norm. En. per Res.: -5.206
• Hub Node: L(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-L	-15.4372	-13.9555	-522.674	-552.0667	191	17	11	20631	1	14	9
H-P	-32.2633	0.0	-95.8402	-128.1035	25	5	3	3034	0	0	2
L-P	-25.8381	-26.1985	-83.5226	-135.5592	31	2	0	2807	3	9	7
L-A	0.0	-8.2511	-16.8687	-25.1198	27	0	0	889	1	5	5
L-B	-7.585	5.3957	-101.687	-103.8763	51	5	0	3954	0	16	10
A-B	-19.3375	-14.8284	-521.513	-555.6789	187	19	11	20542	1	14	9
A-C	-32.22	0.0	-97.931	-130.151	25	6	3	3074	0	0	2
B-C	-21.3534	-27.0399	-82.3826	-130.776	30	3	0	2771	3	9	7

Interface residues

• H-L: ALA100H, ALA124H, ALA135L, ALA167H, ALA34H, ALA60L, ALA93H, ARG212H, ARG216L, ARG38H, ARG51L, ASN142L, ASN143L, ASN162L, ASN166L, ASN215L, ASN39L, ASN43H, ASN60H, ASN96H, ASP170L, ASP172L, ASP175L, ASP1H, ASP1L, CYS139H, CYS139L, CYS219L, CYS92H, CYS93L, GLN104H, GLN129L, GLN170H, GLN39H, GLN43L, GLN47L, GLN95L, GLU128L, GLU210H, GLU218L, GLU46H, GLU6H, GLY103H, GLY104L, GLY105H, GLY105L, GLY132H, GLY133L, GLY134L, GLY138H, GLY143H, GLY161H, GLY163L, GLY213H, GLY42H, GLY46L, GLY49H, GLY62L, GLY95H, GLY96L, HIS163H, HIS98L, ILE122L, ILE209H, ILE37H, LEU123H, LEU130L, LEU137H, LEU140H, LEU141L, LEU165L, LEU169H, LEU173H, LEU176H, LEU184L, LEU186L, LEU38L, LEU41L, LEU42L, LEU45H, LEU4H, LEU52L, LEU55L, LEU63H, LEU98H, LYS108L, LYS142H, LYS174L, LYS207H, LYS208H, LYS212L, LYS44H, LYS50L, LYS64H, MET180L, MET48H, PHE103L, PHE123L, PHE140L, PHE144L, PHE165H, PHE214L, PHE91H, PHE99L, PRO100L, PRO122H, PRO124L, PRO125H, PRO125L, PRO166H, PRO211H, PRO41H, PRO49L, PRO61H, PRO99H, SER119H, SER121L, SER126L, SER127L, SER132L, SER133H, SER134H, SER136L, SER159H, SER160H, SER167L, SER171H, SER177H, SER178H, SER179H, SER179L, SER181L, SER182L, SER213L, SER35H, SER48L, SER58H, SER61L, SER62H, THR102L, THR119L, THR131L, THR136H, THR164H, THR169L, THR175H, THR177L, THR181H, THR183L, THR185L, THR36L, THR57H, THR89H, THR97L, TRP101L, TRP102H, TRP153H, TRP168L, TRP187H, TRP35H, TRP36H, TRP47H, TRP94L, TYR101H, TYR106L, TYR121H, TYR174H, TYR178L, TYR191L, TYR197L, TYR37L, TYR50H, TYR54L, TYR59H, TYR91L, TYR92L, TYR94H, TYR97H, VAL120H, VAL120L, VAL126H, VAL135H, VAL137L, VAL138L, VAL141H, VAL162H, VAL164L, VAL168H, VAL180H, VAL205H, VAL90L
• H-P: ALA100H, ALA34H, ALA667P, ASN52H, ASN96H, ASP1H, ASP32H, ASP664P, GLU662P, GLY95H, LEU661P, LEU663P, LEU98H, LYS665P, PRO99H, SER58H, TRP666P, TYR101H, TYR27H, TYR33H, TYR50H, TYR53H, TYR94H, TYR97H, VAL2H
• L-P: ALA60L, ALA667P, ARG51L, ASN39L, ASP31L, ASP33L, ASP664P, GLN95L, GLU662P, GLY34L, GLY96L, HIS98L, LEU29L, LEU30L, LEU55L, LEU661P, LEU663P, LYS35L, LYS58L, LYS665P, PHE99L, PRO100L, SER32L, SER61L, THR36L, THR97L, TRP101L, TRP666P, TRP94L, TYR37L, TYR54L
• L-A: ALA112A, ALA113A, ASP115L, ASP148L, ASP172A, GLN170A, GLU85A, HIS203L, LEU169A, LEU173A, LYS112L, LYS13A, LYS204L, PRO146L, PRO14A, PRO209L, PRO84A, SER111A, SER15A, SER171A, SER206L, SER208L, THR202L, THR207L, THR83A, VAL110A, VAL82A
• L-B: ALA19L, ARG155B, ARG188B, ARG211B, ARG82L, ASN157B, ASN190B, ASP151B, ASP184B, ASP75L, CYS23L, GLN156B, GLN17L, GLN6L, GLU154B, GLU185B, GLU187B, GLY158B, GLY16L, HIS189B, ILE150B, ILE15L, ILE21L, ILE80L, LEU11L, LEU179B, LEU181B, LEU78L, LEU9L, LYS112L, LYS183B, LYS79L, PHE76L, PRO18L, PRO8L, SER10L, SER12L, SER153B, SER20L, SER22L, SER70L, SER81L, THR107L, THR14L, THR182B, THR77L, THR7L, TRP40L, TYR186B, VAL13L, VAL159B
• A-B: ALA100A, ALA124A, ALA130B, ALA167A, ALA34A, ALA55B, ALA93A, ARG212A, ARG38A, ARG46B, ASN137B, ASN138B, ASN157B, ASN161B, ASN210B, ASN34B, ASN43A, ASN60A, ASN96A, ASP165B, ASP167B, ASP170B, ASP1A, ASP1B, CYS134B, CYS139A, CYS214B, CYS88B, CYS92A, GLN104A, GLN124B, GLN170A, GLN38B, GLN39A, GLN42B, GLN90B, GLU123B, GLU210A, GLU46A, GLU6A, GLY100B, GLY103A, GLY105A, GLY128B, GLY129B, GLY138A, GLY143A, GLY158B, GLY161A, GLY213A, GLY41B, GLY42A, GLY49A, GLY57B, GLY91B, GLY95A, GLY99B, HIS163A, HIS93B, ILE117B, ILE209A, ILE37A, LEU123A, LEU125B, LEU136B, LEU137A, LEU140A, LEU160B, LEU169A, LEU173A, LEU176A, LEU179B, LEU181B, LEU33B, LEU36B, LEU37B, LEU45A, LEU47B, LEU4A, LEU50B, LEU63A, LEU98A, LYS103B, LYS142A, LYS169B, LYS207A, LYS207B, LYS208A, LYS44A, LYS45B, LYS64A, MET175B, MET48A, PHE118B, PHE135B, PHE139B, PHE165A, PHE209B, PHE91A, PHE94B, PHE98B, PRO119B, PRO120B, PRO122A, PRO125A, PRO166A, PRO211A, PRO41A, PRO44B, PRO61A, PRO95B, PRO99A, SER116B, SER119A, SER121B, SER122B, SER127B, SER131B, SER134A, SER159A, SER160A, SER162B, SER171A, SER174B, SER176B, SER177A, SER177B, SER178A, SER179A, SER208B, SER35A, SER43B, SER56B, SER58A, SER62A, THR114B, THR126B, THR136A, THR164A, THR164B, THR172B, THR175A, THR178B, THR180B, THR181A, THR31B, THR57A, THR89A, THR92B, THR97B, TRP102A, TRP153A, TRP163B, TRP187A, TRP35A, TRP36A, TRP47A, TRP89B, TRP96B, TYR101A, TYR101B, TYR121A, TYR173B, TYR174A, TYR186B, TYR192B, TYR32B, TYR49B, TYR50A, TYR59A, TYR86B, TYR87B, TYR94A, TYR97A, VAL115B, VAL120A, VAL126A, VAL132B, VAL133B, VAL135A, VAL141A, VAL159B, VAL162A, VAL168A, VAL180A, VAL205A, VAL85B
• A-C: ALA100A, ALA34A, ALA667C, ASN52A, ASN96A, ASP1A, ASP32A, ASP664C, GLU662C, GLY95A, LEU661C, LEU663C, LEU98A, LYS665C, PRO99A, SER58A, TRP666C, TYR101A, TYR27A, TYR33A, TYR50A, TYR53A, TYR94A, TYR97A, VAL2A
• B-C: ALA55B, ALA667C, ARG46B, ASN34B, ASP27B, ASP28B, ASP664C, GLN90B, GLU662C, GLY29B, GLY91B, HIS93B, LEU27B, LEU50B, LEU661C, LEU663C, LYS30B, LYS53B, LYS665C, PHE94B, PRO95B, SER27B, SER56B, THR31B, THR92B, TRP666C, TRP89B, TRP96B, TYR32B, TYR49B