3MLV

crystal structure of anti-hiv-1 v3 fab 2557 in complex with an nof v3 peptide

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 40
  • Norm. En. per Res.: -5.8245
• Hub Node: L(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
L-H	-7.0777	-9.444	-468.159	-484.6807	194	21	14	19682	0	20	15
L-P	-16.8813	0.0	-89.1185	-105.9998	37	10	5	3734	0	3	3
L-M	-19.542	0.0	-34.7461	-54.2881	28	1	0	1581	0	2	2
L-N	-7.4527	2.6428	-28.6102	-33.4201	38	1	0	1607	0	9	14
H-P	-49.0228	-49.6453	-134.31	-232.9781	40	8	0	4915	4	16	8
H-N	0.0	0.0	-2.3842	-2.3842	8	0	0	246	0	0	0
M-N	-20.6067	-8.8966	-491.225	-520.7284	199	30	15	20627	1	21	18
M-Q	-9.6767	0.0	-86.8299	-96.5066	35	11	5	3806	0	3	3
N-Q	-41.4461	-35.4853	-113.688	-190.6193	40	7	0	4546	5	17	6

Interface residues

• L-H: ALA100H, ALA125H, ALA131L, ALA134L, ALA136H, ALA137H, ALA168H, ALA177L, ALA178L, ALA57H, ALA90L, ALA93L, ARG106L, ARG38H, ARG39L, ARG54L, ARG94H, ASN100H, ASN132L, ASN173L, ASP101H, ASP142L, ASP144H, ASP51L, ASP56H, ASP85L, ASP92L, CYS138L, CYS140H, CYS88L, CYS92H, GLN100H, GLN105H, GLN130L, GLN171H, GLN171L, GLN38L, GLN39H, GLN42L, GLN50L, GLN6L, GLN89L, GLU104L, GLU127L, GLU128L, GLU164L, GLU212H, GLU46H, GLU64H, GLU6H, GLU99H, GLY100H, GLY103L, GLY104H, GLY105L, GLY106H, GLY139H, GLY162H, GLY162L, GLY35H, GLY41L, GLY42H, GLY44H, GLY49H, GLY95L, HIS164H, HIS58H, ILE140L, ILE48H, ILE50H, LEU101L, LEU102H, LEU121L, LEU124H, LEU129L, LEU136L, LEU138H, LEU139L, LEU141H, LEU170H, LEU175H, LEU178H, LEU182L, LEU184L, LEU3L, LEU45H, LEU46L, LEU47L, LEU95H, LEU97H, LEU98L, LYS117H, LYS133L, LYS143H, LYS170L, LYS175L, LYS208L, LYS209H, LYS210H, LYS214H, LYS43H, LYS53L, LYS89H, LYS97L, MET48L, PHE100H, PHE102L, PHE122H, PHE122L, PHE143L, PHE166H, PHE52L, PHE91H, PHE98H, PRO123H, PRO123L, PRO124L, PRO126H, PRO167H, PRO168L, PRO212L, PRO40L, PRO41H, PRO44L, PRO55L, PRO61H, SER100H, SER118L, SER120H, SER125L, SER126L, SER127H, SER128H, SER141L, SER161H, SER169L, SER172H, SER172L, SER173H, SER177H, SER179H, SER179L, SER180H, SER180L, SER183L, SER34L, SER43L, SER56L, SER60H, SER94L, THR120L, THR135L, THR160H, THR165H, THR165L, THR166L, THR167L, THR183H, THR213L, THR93H, THR96L, THR99L, TRP103H, TRP33H, TRP35L, TRP36H, TRP47H, TRP91L, TYR176H, TYR176L, TYR181L, TYR32L, TYR36L, TYR37L, TYR49L, TYR59H, TYR86L, TYR87L, TYR96H, VAL100L, VAL119L, VAL121H, VAL137L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL210L, VAL211H, VAL33L, VAL37H, VAL45L
• L-P: ALA90L, ALA93L, ARG306P, ARG308P, ASP29L, ASP30L, ASP51L, ASP92L, GLN315P, GLN50L, GLN89L, GLY312P, GLY314P, GLY95L, ILE307P, LEU101L, LEU28L, LEU98L, LYS27L, LYS305P, LYS31L, LYS66L, LYS97L, PRO313P, SER94L, THR316P, THR95L, THR96L, THR99L, TRP91L, TYR2L, TYR318P, TYR32L, VAL100L, VAL309P, VAL317P, VAL33L
• L-M: ALA131M, ALA19L, ASN132M, GLN130M, GLN17L, GLU127M, GLU128M, GLY16L, GLY77L, ILE21L, ILE75L, LEU129M, LEU73L, LYS133M, SER126M, SER12L, SER14L, SER20L, SER22L, SER63L, SER65L, SER76L, THR18L, THR70L, THR72L, THR74L, THR78L, VAL13L
• L-N: ARG54L, ARG61L, ASN204N, ASP208N, GLN17L, GLN50L, GLU60L, GLY114N, GLY118N, GLY16L, GLY64L, GLY77L, HIS200N, LEU62L, LYS117N, LYS206N, LYS209N, LYS53L, LYS66L, PHE122N, PHE146N, PHE52L, PRO119N, PRO123N, SER120N, SER203N, SER215N, SER63L, SER65L, SER76L, THR115N, THR116N, THR18L, THR205N, THR74L, TYR32L, VAL121N, VAL207N
• H-P: ALA100H, ALA57H, ARG304P, ARG306P, ARG308P, ASN100H, ASN28H, ASP31H, ASP53H, ASP54H, ASP56H, GLN100H, GLN315P, GLU99H, GLY100H, GLY312P, GLY314P, HIS58H, ILE307P, ILE34H, ILE50H, ILE51H, LEU30H, LEU95H, LEU97H, LYS305P, PHE100H, PHE98H, PRO313P, PRO52H, SER100H, SER32H, SER55H, THR316P, TRP33H, TYR318P, TYR52H, TYR96H, VAL309P, VAL317P
• H-N: ALA100H, GLN100H, GLN13N, GLN16N, GLY100H, GLY114N, SER113N, THR115N
• M-N: ALA100N, ALA125N, ALA131M, ALA134M, ALA136N, ALA137N, ALA168N, ALA177M, ALA178M, ALA211M, ALA57N, ALA90M, ARG106M, ARG38N, ARG39M, ARG54M, ARG94N, ASN100N, ASN132M, ASN173M, ASP101N, ASP142M, ASP144N, ASP51M, ASP56N, ASP85M, ASP92M, CYS138M, CYS140N, CYS88M, CYS92N, GLN100N, GLN105N, GLN130M, GLN171M, GLN171N, GLN38M, GLN39N, GLN42M, GLN50M, GLN89M, GLU104M, GLU127M, GLU128M, GLU164M, GLU212N, GLU46N, GLU64N, GLU6N, GLU99N, GLY100N, GLY103M, GLY104N, GLY105M, GLY106N, GLY139N, GLY162M, GLY162N, GLY174N, GLY35N, GLY41M, GLY42N, GLY44N, GLY49N, GLY95M, HIS164N, HIS58N, ILE140M, ILE48N, ILE50N, LEU101M, LEU102N, LEU121M, LEU124N, LEU129M, LEU136M, LEU138N, LEU139M, LEU141N, LEU170N, LEU175N, LEU178N, LEU182M, LEU184M, LEU45N, LEU46M, LEU47M, LEU4N, LEU95N, LEU97N, LEU98M, LYS117N, LYS133M, LYS143N, LYS170M, LYS175M, LYS208M, LYS209N, LYS210N, LYS214N, LYS43N, LYS53M, LYS89N, LYS97M, MET48M, PHE100N, PHE102M, PHE122M, PHE122N, PHE143M, PHE166N, PHE52M, PHE63N, PHE91N, PHE98N, PRO123M, PRO123N, PRO124M, PRO126N, PRO167N, PRO168M, PRO212M, PRO40M, PRO44M, PRO55M, PRO61N, SER100N, SER118M, SER120N, SER125M, SER126M, SER127N, SER128N, SER141M, SER161N, SER169M, SER172M, SER172N, SER173N, SER177N, SER179M, SER179N, SER180M, SER180N, SER183M, SER1M, SER215N, SER34M, SER43M, SER56M, SER60N, SER62N, SER94M, THR120M, THR135M, THR135N, THR160N, THR165M, THR165N, THR166M, THR167M, THR183N, THR213M, THR93N, THR96M, THR99M, TRP103N, TRP189M, TRP33N, TRP35M, TRP36N, TRP47N, TRP91M, TYR176M, TYR176N, TYR181M, TYR32M, TYR36M, TYR37M, TYR49M, TYR59N, TYR86M, TYR87M, TYR96N, VAL100M, VAL119M, VAL121N, VAL137M, VAL142N, VAL163M, VAL163N, VAL169N, VAL181N, VAL182N, VAL210M, VAL211N, VAL33M, VAL37N, VAL45M
• M-Q: ALA90M, ALA93M, ARG306Q, ARG308Q, ASP29M, ASP30M, ASP51M, ASP92M, GLN315Q, GLN50M, GLY312Q, GLY314Q, GLY95M, ILE307Q, LEU28M, LEU98M, LYS27M, LYS305Q, LYS31M, LYS66M, LYS97M, PRO313Q, SER94M, THR316Q, THR95M, THR96M, THR99M, TRP91M, TYR2M, TYR318Q, TYR32M, VAL100M, VAL309Q, VAL317Q, VAL33M
• N-Q: ALA100N, ALA57N, ARG304Q, ARG306Q, ARG308Q, ASN100N, ASN28N, ASP31N, ASP53N, ASP54N, ASP56N, GLN100N, GLN315Q, GLU99N, GLY100N, GLY312Q, GLY314Q, HIS58N, ILE307Q, ILE34N, ILE50N, ILE51N, LEU30N, LEU95N, LEU97N, LYS305Q, PHE100N, PHE98N, PRO313Q, PRO52N, SER100N, SER32N, SER55N, THR316Q, TRP33N, TYR318Q, TYR52N, TYR96N, VAL309Q, VAL317Q