2A9M

structural analysis of a tight-binding fluorescein-scfv; apo form

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 89
  • Norm. En. per Res.: -3.2349
• 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	-26.0865	2.9773	-264.797	-287.9062	89	3	7	9263	0	17	10
L-M	0.0	0.0	-0.0215	-0.0215	4	0	0	9	0	2	0
L-I	-6.0164	1.6441	-21.6185	-25.9908	14	0	0	793	0	1	4
H-M	-30.0035	0.0	-104.7	-134.7035	51	14	2	4308	0	1	3
H-I	0.0	0.0	-63.899	-63.899	29	1	1	2169	0	1	0
M-I	-21.7241	3.5581	-246.987	-265.153	91	2	7	8993	0	16	8

Interface residues

• L-H: ALA107H, ALA107L, ALA108L, ALA51L, ALA56H, ALA71H, ARG108H, ARG109H, ARG45H, ASN30L, ASN33L, ASN39L, ASP103L, ASP110L, ASP111L, ASP112H, ASP137H, ASP58L, ASP72H, CYS106H, CYS106L, GLN141H, GLN45L, GLN46H, GLN46L, GLN6L, GLU136L, GLU53H, GLU6H, GLY130H, GLY140H, GLY140L, GLY142H, GLY142L, GLY32L, GLY49H, GLY49L, GLY50H, GLY51H, HIS131H, HIS47L, HIS69H, ILE56L, LEU134L, LEU138L, LEU52H, LEU54L, LYS50L, LYS53L, LYS69L, LYS75H, LYS82L, MET136H, MET55L, PHE132H, PHE137L, PHE139L, PRO48L, PRO52L, PRO71L, SER110H, SER113H, SER134H, SER135L, SER42H, SER42L, SER73H, THR141L, TRP109L, TRP129H, TRP139H, TRP43H, TRP43L, TRP54H, TYR104L, TYR105H, TYR105L, TYR133H, TYR135H, TYR40L, TYR44L, TYR57L, TYR70H, VAL103H, VAL138H, VAL41L, VAL44H, VAL55H, VAL67L
• L-M: ASP111M, LYS50L, SER135M, TRP109M
• L-I: ALA51L, ARG61I, GLN46L, GLY115I, GLY130I, GLY49L, HIS131I, HIS47L, LYS144L, LYS50L, PHE132I, PRO48L, TRP129I, TYR116I
• H-M: ALA102H, ALA24H, ARG20H, ARG70M, ASN11H, ASN30M, ASN33M, ASN39M, ASN87M, ASP111M, ASP58M, GLN141H, GLN14H, GLU6H, GLY10H, GLY142H, GLY32M, GLY80M, GLY84M, GLY9H, ILE31M, LEU12H, LEU144H, LEU19H, LEU21H, LYS69M, LYS82M, SER112M, SER148H, SER22H, SER26M, SER29M, SER68M, SER7H, SER81M, SER83M, THR101H, THR143H, THR146H, THR27M, TRP109M, TYR104H, TYR40M, TYR57M, VAL103H, VAL13H, VAL145H, VAL147H, VAL41M, VAL5H, VAL67M
• H-I: ALA102H, ALA47H, ARG45H, ASP112I, GLN141H, GLN46H, GLU6H, GLY10H, GLY130I, GLY142H, GLY49H, GLY50H, GLY51H, HIS131I, LEU12H, LEU144H, PHE132I, PRO48H, SER134I, THR101H, THR143H, THR146H, TRP129I, TYR104H, TYR105H, TYR116I, TYR133I, VAL103H, VAL145H
• M-I: ALA107I, ALA107M, ALA108M, ALA51M, ALA56I, ALA71I, ARG108I, ARG109I, ARG45I, ASN33M, ASN39M, ASP103M, ASP110M, ASP111M, ASP112I, ASP137I, ASP58M, ASP72I, CYS106I, CYS106M, GLN141I, GLN45M, GLN46I, GLN46M, GLN6M, GLU136M, GLU53I, GLU6I, GLY130I, GLY140I, GLY140M, GLY142I, GLY142M, 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, SER134I, SER135M, SER2M, SER42I, SER42M, SER73I, THR141M, TRP109M, TRP129I, TRP139I, TRP43I, TRP43M, TRP54I, TYR104M, TYR105I, TYR105M, TYR133I, TYR135I, TYR40M, TYR44M, TYR57M, TYR70I, VAL103I, VAL138I, VAL3M, VAL41M, VAL44I, VAL55I, VAL67M