1OP5

crystal structure of fab 2g12 bound to man9glcnac2

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 100
  • Norm. En. per Res.: -2.7162
• 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	-35.9359	4.2914	-239.972	-271.6165	100	16	4	10460	0	16	15
L-K	0.0	1.0243	-4.6779	-3.6536	16	0	0	578	0	10	10
L-M	-7.9531	-34.725	-205.278	-247.9561	101	16	8	8792	2	15	11
H-K	-9.0435	-12.2695	-157.589	-178.9019	95	12	6	7660	0	14	8
H-M	-23.6178	-71.9322	-197.234	-292.7841	110	17	6	8796	9	26	13
K-M	-14.7236	0.2574	-190.688	-205.1542	102	25	4	10506	0	18	16

Interface residues

• L-H: ALA102H, ALA34L, ALA43L, ALA49H, ALA51L, ALA60H, ALA84L, ALA92L, ALA93H, ALA96L, ARG103L, ARG142L, ARG38H, ARG39H, ARG57H, ARG94H, ARG99H, ASN100H, ASN35H, ASP100H, ASP101H, ASP58H, ASP98H, CYS88L, CYS92H, GLN100L, GLN160L, GLN37L, GLN38L, GLN6L, GLN89L, GLU30L, GLU46H, GLU6H, GLY101L, GLY104H, GLY106H, GLY157L, GLY41L, GLY42H, GLY43H, GLY44H, GLY93L, GLY96H, GLY99L, HIS87L, HIS90L, ILE29L, ILE48L, ILE51H, ILE89H, LEU33L, LEU45H, LEU46L, LEU47L, LEU4H, LYS39L, LYS42L, LYS45L, LYS50L, LYS55L, LYS95H, MET34H, PHE100H, PHE98L, PRO100H, PRO105H, PRO113H, PRO40L, PRO44L, SER100H, SER50H, SER52H, SER95L, SER97H, THR102L, THR110H, THR31L, THR33H, THR52H, THR53L, THR55H, THR56L, THR85L, THR97L, TRP103H, TRP32L, TRP35L, TRP36H, TRP47H, TYR36L, TYR49L, TYR56H, TYR59H, TYR86L, TYR91H, TYR91L, TYR94L, VAL37H, VAL48H
• L-K: ALA184K, ALA184L, GLU187L, GLY128K, GLY128L, LEU125L, LYS126K, LYS126L, LYS183K, LYS183L, SER127K, SER127L, SER182K, SER182L, THR129K, THR129L
• L-M: ALA125M, ALA130L, ALA138M, ALA139M, ALA176M, ARG211L, ASN137L, ASN138L, ASN158L, ASP122L, ASP146M, ASP167L, ASP170L, CYS134L, CYS142M, GLN124L, GLN160L, GLN179M, GLU123L, GLU161L, GLU165L, GLU213L, GLY128L, GLY141M, GLY157L, GLY169M, GLY212L, HIS172M, ILE117L, LEU124M, LEU125L, LEU135L, LEU136L, LEU140M, LEU143M, LEU175L, LEU178M, LEU179L, LEU181L, LEU187M, LYS126L, LYS145M, LYS169L, LYS207L, LYS221M, LYS228M, PHE116L, PHE118L, PHE122M, PHE139L, PHE174M, PHE209L, PRO119L, PRO120L, PRO123M, PRO126M, PRO175M, SER114L, SER120M, SER121L, SER127L, SER127M, SER128M, SER131L, SER134M, SER162L, SER168L, SER168M, SER174L, SER176L, SER177L, SER180M, SER182M, SER186M, SER188M, SER189M, SER208L, SER229M, THR129L, THR133M, THR137M, THR164L, THR167M, THR172L, THR173M, THR178L, THR180L, THR192M, TYR173L, TYR186L, VAL115L, VAL121M, VAL132L, VAL133L, VAL163L, VAL171M, VAL177M, VAL190M, VAL191M, VAL193M, VAL225M
• H-K: ALA125H, ALA130K, ALA138H, ALA139H, ALA176H, ARG211K, ASN137K, ASN138K, ASP122K, ASP146H, ASP167K, ASP170K, CYS134K, GLN124K, GLN160K, GLN179H, GLU123K, GLU161K, GLU165K, GLU213K, GLY141H, GLY169H, GLY212K, HIS172H, ILE117K, LEU124H, LEU125K, LEU135K, LEU136K, LEU140H, LEU143H, LEU175K, LEU178H, LEU181K, LEU187H, LYS129H, LYS145H, LYS169K, LYS207K, LYS221H, LYS228H, PHE116K, PHE118K, PHE122H, PHE139K, PHE174H, PHE209K, PRO119K, PRO120K, PRO123H, PRO126H, PRO175H, PRO40K, SER114K, SER120H, SER121K, SER127H, SER127K, SER128H, SER130H, SER131K, SER134H, SER159K, SER162K, SER168H, SER168K, SER174K, SER176K, SER177K, SER180H, SER182H, SER186H, SER188H, SER189H, SER229H, THR129K, THR137H, THR164K, THR167H, THR172K, THR173H, THR178K, THR180K, THR192H, TYR173K, TYR186K, VAL115K, VAL121H, VAL132K, VAL133K, VAL163K, VAL171H, VAL177H, VAL190H, VAL191H
• H-M: ALA114H, ALA114M, ARG57H, ARG57M, ARG71H, ARG71M, ASP72H, ASP72M, ASP73H, ASP73M, ASP76H, ASP76M, CYS22H, CYS22M, GLN179H, GLN179M, GLN81H, GLN81M, GLU150M, GLU6H, GLU6M, GLU75H, GLU75M, GLY10H, GLY10M, GLY16H, 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, PHE67M, PHE77H, PHE77M, PRO113H, PRO113M, SER112H, SER112M, SER17H, SER17M, SER180H, SER180M, SER182H, SER182M, SER21H, SER21M, SER53H, SER53M, SER54H, SER54M, SER70H, SER70M, SER7H, SER7M, THR107H, THR110H, THR110M, THR55H, THR55M, THR68H, THR68M, TRP36M, TYR185H, TYR185M, TYR56M, TYR59H, TYR59M, TYR79H, TYR79M, VAL108H, VAL108M, VAL109H, VAL109M, VAL12M, VAL177H, VAL5H, VAL5M, VAL69H, VAL69M, VAL78H, VAL78M
• K-M: ALA102M, ALA34K, ALA43K, ALA49M, ALA51K, ALA60M, ALA84K, ALA92K, ALA93M, ALA96K, ARG103K, ARG142K, ARG38M, ARG39M, ARG57M, ARG94M, ARG99M, ASN100M, ASN35M, ASP100M, ASP101M, ASP58M, 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, ILE48K, ILE51M, ILE89M, LEU100M, LEU11M, LEU33K, LEU45M, LEU46K, LEU47K, LEU4M, LYS39K, LYS42K, LYS45K, LYS50K, LYS55K, LYS95M, MET34M, PHE100M, PHE98K, PRO100M, PRO105M, PRO113M, PRO40K, 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, VAL37M, VAL40M, VAL48M