3OAY

a non-self sugar mimic of the hiv glycan shield shows enhanced antigenicity

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 106
  • Norm. En. per Res.: -3.156
• Hub Node: K(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
K-M	-15.9756	2.2365	-279.774	-293.5132	107	2	4	10609	0	14	16
K-H	-15.0078	-21.4135	-198.393	-234.8143	94	5	7	8289	2	10	8
K-L	0.0	-3.0357	-21.7747	-24.8104	22	0	0	1411	0	12	10
M-H	-27.134	-31.7653	-237.592	-296.4913	116	12	4	9752	8	24	13
M-L	-19.8584	-11.5993	-200.683	-232.1407	100	7	7	8495	1	13	7
H-L	-34.2994	3.034	-303.271	-334.5364	106	6	4	11120	1	13	16

Interface residues

• K-M: ALA102M, ALA1K, ALA34K, ALA43K, ALA49M, ALA51K, ALA60M, ALA84K, ALA92K, ALA93M, ALA96K, ARG103K, ARG142K, ARG38M, ARG39M, ARG57M, ARG94M, ARG99M, ASN100M, ASN35M, ASP100M, ASP101M, ASP58M, ASP61M, ASP98M, CYS88K, CYS92M, GLN100K, GLN160K, GLN37K, GLN38K, GLN6K, GLN89K, GLU30K, GLU46M, GLU6M, GLY101K, GLY104M, GLY106M, GLY157K, GLY41K, GLY42M, GLY43M, GLY44M, GLY93K, GLY96M, GLY99K, HIS87K, HIS90K, ILE29K, ILE48K, ILE51M, ILE89M, LEU11M, LEU33K, LEU45M, LEU46K, LEU47K, LEU4M, LYS39K, LYS42K, LYS45K, LYS50K, LYS55K, LYS95M, MET34M, PHE100M, PHE98K, PRO100M, PRO105M, PRO113M, PRO40K, PRO41M, PRO44K, SER100M, SER50M, SER52M, SER95K, SER97M, THR102K, THR110M, THR31K, THR33M, THR52M, THR53K, THR55M, THR56K, THR85K, THR97K, TRP103M, TRP32K, TRP35K, TRP36M, TRP47M, TYR36K, TYR49K, TYR56M, TYR59M, TYR86K, TYR91K, TYR91M, TYR94K, VAL108M, VAL2M, VAL37M, VAL40M, VAL48M
• K-H: ALA125H, ALA130K, ALA138H, ALA139H, ALA176H, ASN137K, ASN138K, ASP122K, ASP146H, ASP167K, ASP170K, CYS134K, CYS142H, GLN124K, GLN160K, GLN166K, GLN179H, GLU123K, GLU161K, GLU165K, GLY141H, GLY169H, HIS172H, ILE117K, LEU124H, LEU125K, LEU135K, LEU136K, LEU140H, LEU143H, LEU175K, LEU178H, LEU179K, LEU181K, LEU184H, LEU187H, LYS126K, LYS145H, LYS169K, LYS221H, PHE116K, PHE118K, PHE122H, PHE139K, PHE174H, PHE209K, PRO119K, PRO120K, PRO123H, PRO126H, PRO175H, PRO40K, SER114K, SER120H, SER121K, SER127H, SER127K, SER131K, SER159K, SER162K, SER168H, SER168K, SER171K, SER174K, SER176K, SER177K, SER180H, SER182H, SER186H, SER188H, SER189H, SER195H, THR129K, THR137H, THR164K, THR167H, THR172K, THR173H, THR178K, THR180K, THR192H, TYR173K, VAL115K, VAL121H, VAL132K, VAL133K, VAL144H, VAL163K, VAL171H, VAL177H, VAL190H, VAL191H, VAL193H, VAL225H
• K-L: ALA184K, ALA184L, ASP185K, ASP185L, GLU123K, GLU123L, GLU187K, GLU187L, GLY128K, GLY128L, LEU125K, LEU125L, LYS126K, LYS126L, LYS183K, LYS183L, SER127K, SER127L, SER182K, SER182L, THR129K, THR129L
• M-H: ALA114M, ARG28H, ARG28M, ARG57H, ARG57M, ARG71H, ARG71M, ASP72H, ASP72M, ASP73H, ASP73M, ASP76H, ASP76M, CYS22H, CYS22M, GLN179H, GLN179M, GLN81H, GLN81M, GLU150H, GLU150M, GLU6H, GLU6M, GLU75H, GLU75M, GLY10H, GLY10M, GLY16H, GLY16M, GLY183H, GLY183M, GLY23H, GLY23M, GLY8H, GLY8M, GLY9H, GLY9M, HIS82H, HIS82M, ILE19H, ILE19M, ILE51H, ILE51M, LEU11H, LEU11M, LEU178H, LEU178M, LEU184H, LEU184M, LEU18H, LEU18M, LEU20H, LEU20M, LEU74H, LEU74M, LEU80H, LEU80M, LYS13H, LYS13M, MET82H, MET82M, PHE148H, PHE148M, PHE77H, PHE77M, PRO113H, PRO113M, SER112H, SER112M, SER17H, SER17M, SER180H, SER180M, SER182H, SER182M, SER21H, SER21M, SER53H, SER53M, SER54H, SER54M, SER70H, SER70M, SER7H, SER7M, THR107M, THR110H, THR110M, THR55H, THR55M, THR68H, THR68M, THR87H, THR87M, TRP36H, TRP36M, TYR185H, TYR185M, TYR56H, TYR56M, TYR59H, TYR59M, TYR79H, TYR79M, VAL108H, VAL108M, VAL109H, VAL109M, VAL12H, VAL12M, VAL5H, VAL5M, VAL69H, VAL69M, VAL78H, VAL78M
• M-L: ALA125M, ALA130L, ALA138M, ALA139M, ALA176M, ASN137L, ASN138L, ASN158L, ASP122L, ASP146M, ASP167L, ASP170L, CYS134L, CYS142M, GLN124L, GLN160L, GLN166L, GLN179M, GLU123L, GLU161L, GLU165L, GLU213L, GLY141M, GLY157L, GLY169M, GLY212L, HIS172M, ILE117L, LEU124M, LEU125L, LEU135L, LEU136L, LEU140M, LEU143M, LEU175L, LEU178M, LEU179L, LEU181L, LEU184M, LEU187M, LYS126L, LYS145M, LYS169L, LYS207L, LYS221M, LYS228M, PHE116L, PHE118L, PHE122M, PHE139L, PHE174M, PHE209L, PRO119L, PRO120L, PRO123M, PRO126M, PRO175M, PRO40L, SER114L, SER120M, SER121L, SER127L, SER127M, SER131L, SER159L, SER162L, SER168L, SER168M, SER174L, SER176L, SER177L, SER180M, SER182M, SER186M, SER188M, SER189M, SER195M, SER208L, THR129L, THR137M, THR164L, THR172L, THR173M, THR178L, THR180L, THR192M, TYR173L, TYR185M, VAL115L, VAL121M, VAL132L, VAL133L, VAL144M, VAL163L, VAL171M, VAL177M, VAL190M, VAL191M, VAL193M, VAL225M
• H-L: ALA102H, ALA1L, ALA34L, ALA43L, ALA49H, ALA51L, ALA60H, ALA84L, ALA92L, ALA93H, ALA96L, ARG103L, ARG142L, ARG38H, ARG39H, ARG57H, ARG94H, ARG99H, ASN100H, ASN35H, ASP100H, ASP101H, ASP58H, ASP61H, ASP98H, CYS88L, CYS92H, GLN100L, GLN160L, GLN37L, GLN38L, GLN6L, GLN89L, GLU46H, GLU6H, GLY101L, GLY104H, GLY106H, GLY157L, GLY41L, GLY42H, GLY43H, GLY44H, GLY93L, GLY96H, GLY99L, HIS87L, HIS90L, ILE29L, ILE48L, ILE51H, ILE89H, LEU11H, LEU33L, LEU45H, LEU46L, LEU47L, LEU4H, LYS39L, LYS42L, LYS45L, LYS50L, LYS55L, LYS95H, MET34H, PHE100H, PHE98L, PRO100H, PRO105H, PRO113H, PRO40L, PRO41H, PRO44L, SER100H, SER50H, SER52H, SER95L, SER97H, SER9L, THR102L, THR110H, THR31L, THR33H, THR52H, THR53L, THR55H, THR56L, THR85L, THR97L, TRP103H, TRP32L, TRP35L, TRP36H, TRP47H, TYR36L, TYR49L, TYR56H, TYR59H, TYR86L, TYR91H, TYR91L, TYR94L, VAL108H, VAL37H, VAL40H, VAL48H