3RPI

crystal structure of fab from 3bnc60, highly potent anti-hiv antibody

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 164
  • Norm. En. per Res.: -3.2565
• 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
L-H	-46.4426	-43.8905	-436.908	-527.2411	164	24	10	16778	5	25	20
L-A	0.0	-2.8562	-31.6039	-34.4601	38	3	0	1777	1	7	9
L-B	0.0	0.0	-12.2271	-12.2271	14	0	0	748	0	0	2
H-A	0.0	0.0	-16.8275	-16.8275	29	1	0	935	0	2	3
H-B	0.0	-1.9703	-31.895	-33.8653	37	0	0	1692	1	7	9
A-B	-42.2094	-44.8142	-447.044	-534.0675	164	21	10	16924	5	25	20

Interface residues

• L-H: ALA119L, ALA131H, ALA142H, ALA143H, ALA174H, ALA41L, ALA97H, ARG100H, ARG216H, ARG38H, ARG38L, ARG54L, ARG92L, ARG98H, ASN126L, ASN127L, ASN147L, ASN33L, ASN59H, ASP102H, ASP105H, ASP107H, ASP111L, ASP150H, ASP156L, ASP159L, ASP48L, CYS123L, CYS146H, CYS86L, CYS96H, GLN113L, GLN149L, GLN155L, GLN177H, GLN37L, GLN39H, GLN43H, GLN46H, GLN6H, GLN87L, GLN99H, GLU112L, GLU150L, GLU154L, GLU53L, GLU90L, GLY110H, GLY112H, GLY145H, GLY168H, GLY180H, GLY31L, GLY39L, GLY42H, GLY44H, GLY49H, GLY49L, GLY90L, HIS170H, HIS35H, ILE106L, ILE46L, ILE90L, ILE93H, LEU114L, LEU124L, LEU125L, LEU130H, LEU144H, LEU147H, LEU164L, LEU170L, LEU176H, LEU181H, LEU184H, LEU33L, LEU44L, LEU45H, LEU45L, LEU52L, LYS115L, LYS123H, LYS149H, LYS158L, LYS196L, LYS215H, LYS40L, LYS43L, LYS51L, PHE103H, PHE105L, PHE106H, PHE107L, PHE128H, PHE128L, PHE172H, PHE85L, PHE90L, PHE95H, PRO108L, PRO109L, PRO129H, PRO132H, PRO173H, PRO42L, PRO90L, SER101H, SER103L, SER110L, SER111H, SER116L, SER120L, SER126H, SER148L, SER151L, SER157L, SER163L, SER165L, SER166L, SER167H, SER178H, SER179H, SER183H, SER185H, SER186H, THR118L, THR141H, THR153L, THR161L, THR167L, THR169L, THR171H, THR189H, THR83L, TRP104H, TRP109H, TRP34L, TRP37H, TRP47H, TRP50H, TYR162L, TYR182H, TYR32L, TYR35L, TYR47L, TYR89L, VAL104L, VAL108H, VAL121L, VAL122L, VAL127H, VAL148H, VAL152L, VAL169H, VAL175H, VAL187H, VAL188H, VAL190H, VAL213H, VAL217H, VAL48H, VAL88L, VAL90L
• L-A: ALA173L, ALA40A, ALA85A, ALA92A, ARG38A, ARG67A, ARG87A, ASN147L, ASP111L, ASP89A, ASP90A, GLN113L, GLN177A, GLN43A, GLU112L, GLU176L, GLY117L, GLY15A, GLY180A, LEU114L, LEU170L, LEU176A, LYS115L, LYS172L, LYS177L, PRO14A, PRO41A, SER116L, SER118A, SER119A, SER171L, SER178A, SER88A, THR118L, THR169L, THR91A, VAL117A, VAL86A
• L-B: ALA142B, ALA142L, ASN147B, ASN147L, GLN144B, GLN144L, GLY146B, GLY146L, LEU143B, LEU143L, SER145B, SER145L, SER148B, SER148L
• H-A: ALA120A, ALA120H, ASP150A, ASP150H, GLN177A, GLN177H, GLY180A, GLY180H, LEU181A, LEU181H, LYS123A, LYS123H, LYS13A, LYS13H, LYS149A, LYS149H, PHE128A, PHE128H, PRO14A, PRO14H, SER119A, SER119H, SER121H, SER126A, SER126H, SER178A, SER178H, SER179A, SER179H
• H-B: ALA173B, ALA40H, ALA85H, ALA92H, ARG38H, ARG67H, ARG87H, ASN147B, ASP111B, ASP89H, ASP90H, GLN113B, GLN43H, GLU112B, GLU176B, GLY117B, GLY15H, GLY180H, LEU114B, LEU170B, LEU176H, LYS115B, LYS172B, LYS177B, PRO14H, PRO41H, SER116B, SER118H, SER119H, SER171B, SER178H, SER88H, THR118B, THR169B, THR91H, VAL117H, VAL86H
• A-B: ALA119B, ALA131A, ALA142A, ALA143A, ALA174A, ALA41B, ALA97A, ARG100A, ARG216A, ARG38A, ARG38B, ARG54B, ARG92B, ARG98A, ASN126B, ASN127B, ASN147B, ASN33B, ASN59A, ASP102A, ASP105A, ASP107A, ASP111B, ASP150A, ASP156B, ASP159B, ASP48B, CYS123B, CYS146A, CYS86B, CYS96A, GLN113B, GLN149B, GLN155B, GLN177A, GLN37B, GLN39A, GLN43A, GLN46A, GLN6A, GLN87B, GLN99A, GLU112B, GLU150B, GLU154B, GLU53B, GLU90B, GLY110A, GLY112A, GLY145A, GLY168A, GLY180A, GLY31B, GLY39B, GLY42A, GLY44A, GLY49A, GLY49B, GLY90B, HIS170A, HIS35A, ILE106B, ILE46B, ILE90B, ILE93A, LEU114B, LEU124B, LEU125B, LEU130A, LEU144A, LEU147A, LEU164B, LEU170B, LEU176A, LEU181A, LEU184A, LEU33B, LEU44B, LEU45A, LEU45B, LEU52B, LYS115B, LYS123A, LYS149A, LYS158B, LYS196B, LYS215A, LYS40B, LYS43B, LYS51B, PHE103A, PHE105B, PHE106A, PHE107B, PHE128A, PHE128B, PHE172A, PHE85B, PHE90B, PHE95A, PRO108B, PRO109B, PRO129A, PRO132A, PRO173A, PRO42B, PRO90B, SER101A, SER103B, SER110B, SER111A, SER116B, SER120B, SER126A, SER148B, SER151B, SER157B, SER163B, SER165B, SER166B, SER167A, SER178A, SER179A, SER183A, SER185A, SER186A, THR118B, THR141A, THR153B, THR161B, THR167B, THR169B, THR171A, THR189A, THR83B, TRP104A, TRP109A, TRP34B, TRP37A, TRP47A, TRP50A, TYR162B, TYR182A, TYR32B, TYR35B, TYR47B, TYR89B, VAL104B, VAL108A, VAL121B, VAL122B, VAL127A, VAL148A, VAL152B, VAL169A, VAL175A, VAL187A, VAL188A, VAL190A, VAL213A, VAL217A, VAL48A, VAL88B, VAL90B