2A9N

a mutation designed to alter crystal packing permits structural analysis of a tight-binding fluorescein-scfv complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: M-I
  • Int. Res.: 96
  • Norm. En. per Res.: -2.1015
• Hub Node: H(2)

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	-16.4501	62.7448	-232.462	-186.1674	93	2	5	8864	0	16	12
L-I	0.0	0.0	-1.2356	-1.2356	12	0	0	211	0	2	4
H-M	0.0	0.0	-0.4462	-0.4462	9	0	0	77	0	1	3
H-I	-5.9824	0.0	-108.564	-114.5464	69	6	4	5495	0	0	1
M-I	-16.5726	54.1205	-239.293	-201.7451	96	4	5	8827	0	16	12

Interface residues

• L-H: ALA107H, ALA107L, ALA108L, ALA51L, ALA56H, ALA71H, ARG108H, ARG109H, ARG45H, ASN30L, ASN33L, ASN39L, ASP103L, ASP111L, ASP112H, ASP137H, ASP58L, ASP72H, CYS106H, CYS106L, GLN141H, GLN45L, GLN46H, GLN46L, GLN6L, GLU136L, GLU53H, GLU6H, GLY115H, GLY130H, GLY140H, GLY140L, GLY142H, GLY142L, GLY49H, GLY49L, GLY50H, GLY51H, GLY57H, HIS131H, HIS47L, HIS69H, ILE56L, LEU134L, LEU138L, LEU52H, LEU54L, LYS144L, LYS50L, LYS53L, LYS69L, LYS75H, MET136H, MET55L, PHE132H, PHE137L, PHE139L, PRO48L, PRO52L, PRO71L, SER110H, SER113H, SER114H, SER134H, SER135L, SER42H, SER42L, SER73H, THR141L, THR68H, TRP109L, TRP139H, TRP43H, TRP43L, TRP54H, TYR104L, TYR105H, TYR105L, TYR116H, TYR133H, TYR135H, TYR40L, TYR44L, TYR57L, TYR70H, VAL103H, VAL138H, VAL3L, VAL41L, VAL44H, VAL55H, VAL67L, VAL74H
• L-I: ALA51L, ARG20I, ASN11I, GLY10I, GLY49L, GLY9I, LEU19I, LYS50L, LYS86I, SER22I, SER7I, TYR90I
• H-M: ALA51M, ARG20H, ASN11H, GLY10H, GLY49M, GLY9H, LYS50M, LYS86H, SER7H
• H-I: ALA102H, ALA102I, ALA24H, ALA24I, ALA25H, ALA25I, ALA47H, ALA47I, ASN11H, ASN11I, GLN141H, GLN141I, GLN14H, GLN14I, GLN1H, GLN1I, GLN3H, GLN3I, GLN46H, GLN46I, GLU6H, GLU6I, GLY10H, GLY10I, GLY140H, GLY140I, GLY142H, GLY142I, GLY49H, GLY49I, GLY9H, GLY9I, LEU12H, LEU12I, LEU144H, LEU144I, LEU19H, LEU19I, LEU21I, LEU4H, LEU4I, PRO48H, PRO48I, SER148H, SER148I, SER22H, SER22I, SER26H, SER26I, SER7H, SER7I, THR101H, THR101I, THR143H, THR143I, THR146H, THR146I, TYR105H, TYR105I, VAL103H, VAL103I, VAL13H, VAL13I, VAL145H, VAL145I, VAL147H, VAL147I, VAL5H, VAL5I
• M-I: ALA107I, ALA107M, ALA108M, ALA129I, ALA51M, ALA56I, ALA71I, ARG108I, ARG109I, ARG45I, ASN33M, ASN39M, ASP103M, ASP111M, ASP112I, ASP137I, ASP58M, ASP72I, CYS106I, CYS106M, GLN141I, GLN45M, GLN46I, GLN46M, GLN6M, GLU136M, GLU53I, GLU6I, GLY115I, GLY130I, GLY140I, GLY140M, GLY142I, GLY142M, GLY32M, GLY49I, GLY49M, GLY50I, GLY51I, GLY57I, HIS131I, HIS47M, HIS69I, ILE56M, LEU134M, LEU138M, LEU52I, LEU54M, LYS144M, LYS50M, LYS53M, LYS69M, LYS75I, LYS82M, MET136I, MET55M, PHE132I, PHE137M, PHE139M, PRO48M, PRO52M, PRO71M, SER110I, SER113I, SER114I, SER134I, SER135M, SER2M, SER42I, SER42M, SER73I, THR141M, THR68I, TRP109M, TRP139I, TRP43I, TRP43M, TRP54I, TYR104M, TYR105I, TYR105M, TYR116I, TYR133I, TYR135I, TYR40M, TYR44M, TYR57M, TYR70I, VAL103I, VAL138I, VAL3M, VAL41M, VAL44I, VAL55I, VAL67M, VAL74I