2UUD

crystal structure of the tepc15-vk45.1 anti-2-phenyl-5- oxazolone nq10-1.12 scfv in complex with the hapten

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 93
  • Norm. En. per Res.: -3.2484
• Hub Node: H(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
H-J	0.0	0.0	-1.887	-1.887	5	0	0	141	0	0	1
H-K	-20.806	7.9447	-37.2418	-50.103	27	3	0	1742	0	11	7
H-L	-18.4418	7.117	-290.78	-302.1048	93	13	10	10379	0	7	6
H-S	0.0	0.0	5.4286	5.4286	11	14	0	786	0	0	0
J-K	-33.9371	6.942	-263.365	-290.36	93	19	10	9865	0	7	5
J-L	-19.6894	8.9177	-31.5785	-42.3502	28	5	0	1563	0	9	7
J-T	0.0	0.0	9.4882	9.4882	14	8	0	278	0	0	0
K-L	0.0	0.0	-6.0572	-6.0572	8	0	0	204	0	0	0
K-T	0.0	0.0	3.8525	3.8525	13	5	0	737	0	0	0
L-S	0.0	0.0	7.7256	7.7256	11	8	0	639	0	0	0

Interface residues

• H-J: ASP96J, GLY99J, TYR97H, TYR98H, TYR98J
• H-K: ARG54K, ARG61K, ARG94H, ASN53K, ASP31H, ASP60K, ASP96H, GLU1H, GLY26H, GLY57K, LYS50K, PHE27H, PHE29H, PHE55K, PRO59K, SER28H, SER52K, SER56K, SER76K, THR30H, TYR102H, TYR32H, TYR49K, TYR97H, TYR98H, VAL2H, VAL58K
• H-L: ALA100H, ALA101H, ALA35H, ALA44H, ALA49H, ALA61H, ALA93H, ARG38H, ARG52H, ARG94H, ASN30L, ASN53H, ASN53L, ASP58H, ASP96H, CYS88L, CYS92H, GLN105H, GLN1L, GLN38L, GLN39H, GLN42L, GLN6L, GLN90L, GLU1H, GLU34L, GLU46H, GLU6H, GLY100L, GLY101L, GLY104H, GLY106H, GLY41L, GLY42H, GLY91L, GLY95H, GLY99H, GLY99L, HIS27L, HIS93L, ILE48L, ILE51H, LEU33L, LEU37L, LEU45H, LEU46L, LEU47L, LEU48H, LEU9L, LYS103L, LYS43H, LYS45L, LYS50L, LYS64H, PHE100H, PHE50H, PHE55L, PHE89L, PHE98L, PRO44L, PRO95L, SER43L, SER56L, SER60H, SER62H, SER92L, THR102L, THR31L, THR57H, THR89H, THR97L, TRP100H, TRP103H, TRP35L, TRP36H, TRP47H, TYR102H, TYR32L, TYR33H, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR96L, TYR97H, TYR98H, VAL2H, VAL37H, VAL51L, VAL85L, VAL94L
• H-S: ALA113H, GLN13H, GLY5S, LEU11H, PRO14H, SER112H, SER1S, SER3S, SER4S, THR2S, VAL12H
• J-K: ALA100J, ALA101J, ALA35J, ALA44J, ALA49J, ALA61J, ALA93J, ARG38J, ARG52J, ARG94J, ASN28K, ASN30K, ASN53J, ASN53K, ASP58J, ASP96J, CYS88K, CYS92J, GLN105J, GLN1K, GLN38K, GLN39J, GLN42K, GLN6K, GLN90K, GLU34K, GLU46J, GLU6J, GLY100K, GLY101K, GLY104J, GLY106J, GLY41K, GLY42J, GLY91K, GLY95J, GLY99J, GLY99K, HIS27K, HIS93K, ILE48K, LEU33K, LEU37K, LEU45J, LEU46K, LEU47K, LEU48J, LEU9K, LYS103K, LYS43J, LYS45K, LYS50K, LYS64J, PHE100J, PHE50J, PHE55K, PHE89K, PHE98K, PRO40J, PRO44K, PRO95K, SER10K, SER43K, SER56K, SER60J, SER62J, SER92K, THR107J, THR31K, THR57J, THR89J, THR97K, TRP100J, TRP103J, TRP35K, TRP36J, TRP47J, TYR102J, TYR32K, TYR33J, TYR36K, TYR49K, TYR59J, TYR86K, TYR87K, TYR91J, TYR96K, TYR97J, TYR98J, VAL2J, VAL37J, VAL85K, VAL94K
• J-L: ARG54L, ARG61L, ARG94J, ASN53L, ASP31J, ASP60L, ASP96J, GLU1J, GLY26J, GLY57L, ILE48L, LYS50L, PHE27J, PHE29J, PHE55L, PRO59L, SER28J, SER52L, SER56L, SER76L, THR30J, TYR102J, TYR32J, TYR49L, TYR97J, TYR98J, VAL2J, VAL58L
• J-T: ALA113J, ALA18T, ALA61J, GLN13J, GLY12T, LEU11J, LYS64J, PRO14J, SER112J, SER14T, SER17T, SER1T, SER3T, THR2T
• K-L: GLY57K, GLY57L, PHE55K, PHE55L, SER56K, SER56L, TYR49K, TYR49L
• K-T: ALA18T, GLN1K, GLN27K, GLN90K, GLY16T, HIS93K, LEU3K, PRO95K, SER17T, SER26K, THR97K, VAL2K, VAL94K
• L-S: ALA18S, GLN1L, GLN27L, GLY16S, LEU3L, PRO95L, SER17S, SER26L, THR97L, VAL2L, VAL94L