1SHM

convergent solutions to vhh domain stabilization from natural and in vitro evolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 60
  • Norm. En. per Res.: -2.5294
• Hub Node: A(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
A-B	-28.9097	0.8901	-103.606	-131.6257	53	3	0	3868	0	3	3
A-D	-34.8401	0.0	-116.922	-151.7621	60	4	2	5189	0	3	6
A-E	0.0	0.0	-0.1628	-0.1628	9	0	0	50	0	0	0
B-E	-37.119	0.0	-114.556	-151.675	63	6	3	5210	0	2	5
D-E	-10.4773	0.0	-57.309	-67.7863	45	4	0	2559	0	1	0

Interface residues

• A-B: ALA40A, ALA49B, ALA50B, ALA55B, ALA60B, ALA74B, ALA88A, ARG45A, ARG64B, ARG66B, ARG71B, ASN52B, ASN73B, ASP72B, CYS92A, GLN105A, GLN108A, GLN39A, GLN5A, GLU44A, GLU6A, GLU98A, GLY104A, GLY106A, GLY42A, GLY53B, GLY56B, GLY65B, ILE51B, ILE69B, LEU4A, LYS43A, PHE37A, PHE67B, PRO41A, SER54B, SER61B, SER70B, THR101A, THR107A, THR110A, THR57B, THR68B, THR91A, TRP102A, TRP103A, TRP52B, TYR58B, TYR59B, TYR90A, VAL100A, VAL63B, VAL89A
• A-D: ALA14A, ALA14D, ARG19A, ARG19D, ARG66D, ASN82A, ASN82D, GLN108A, GLN13A, GLN13D, GLN5A, GLN81A, GLN81D, GLU6A, GLU6D, GLY106A, GLY10A, GLY10D, GLY15A, GLY15D, GLY16A, GLY16D, GLY8A, GLY8D, GLY9A, GLY9D, LEU11A, LEU11D, LEU18A, LEU18D, LEU20A, LEU20D, LEU80A, LEU80D, LEU82A, LEU82D, LYS75A, MET82A, MET82D, SER112D, SER113D, SER17A, SER17D, SER21A, SER21D, SER7A, SER7D, SER82A, SER82D, THR107A, THR107D, THR110A, THR110D, TYR79A, TYR79D, VAL109A, VAL109D, VAL111D, VAL12A, VAL12D
• A-E: ALA74E, ARG71E, ASN73E, ASP72E, GLN13A, LEU11A, SER112A, SER70E, THR68E
• B-E: ALA14B, ALA14E, ARG19B, ARG19E, ARG66E, ASN82B, ASN82E, GLN108B, GLN108E, GLN13B, GLN13E, GLN5B, GLN5E, GLN81B, GLN81E, GLU6B, GLU6E, GLY106B, GLY10B, GLY10E, GLY15B, GLY15E, GLY16B, GLY16E, GLY8B, GLY8E, GLY9B, GLY9E, LEU11B, LEU11E, LEU18B, LEU18E, LEU20B, LEU20E, LEU80B, LEU80E, LEU82B, LEU82E, LYS75B, MET82B, MET82E, SER112B, SER112E, SER113E, SER17B, SER17E, SER21B, SER21E, SER7B, SER7E, SER82B, SER82E, THR107B, THR107E, THR110B, THR110E, TYR79B, TYR79E, VAL109B, VAL109E, VAL111E, VAL12B, VAL12E
• D-E: ALA40D, ALA50E, ALA55E, ALA88D, ARG64E, ARG71E, ASN52E, ASN73E, GLN105D, GLN108D, GLN39D, GLN5D, GLU6D, GLY104D, GLY106D, GLY10D, GLY29E, GLY42D, GLY53E, GLY56E, GLY65E, GLY9D, ILE51E, ILE69E, LEU11D, LYS43D, PRO41D, SER112D, SER113D, SER30E, SER54E, SER70E, THR107D, THR110D, THR31E, THR57E, THR68E, THR87D, THR91D, TRP52E, TYR58E, TYR59E, TYR90D, VAL109D, VAL89D