3A01

crystal structure of aristaless and clawless homeodomains bound to dna

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 30
  • Norm. En. per Res.: -3.6044
• Hub Node: A(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
A-B	0.0	-54.8397	-45.8215	-100.6612	33	3	2	2175	4	14	9
A-F	-12.7797	-19.3643	-75.9889	-108.1329	30	2	0	3039	1	8	17
B-E	0.0	0.0	-4.2739	-4.2739	5	0	0	151	0	0	2
B-F	-8.7467	27.3661	-55.5404	-36.9211	24	3	0	2214	0	9	25
E-F	-13.6986	-31.7858	-26.8857	-72.3701	26	1	1	1247	2	8	7

Interface residues

• A-B: ALA127B, ALA170A, ALA245A, ARG115B, ARG128B, ARG137B, ARG141B, ARG171A, ARG172A, ARG185A, ARG242A, ASP111B, GLN130B, GLN178A, GLN243A, GLU116B, GLU117B, GLU126B, GLU246A, GLU247A, GLY174A, HIS108B, ILE173A, PHE113B, PRO176A, THR107B, THR114B, THR125B, THR238A, TYR109B, TYR177A, VAL112B, VAL131B
• A-F: ALA103F, ARG106F, ARG136F, ARG180A, ARG185A, ARG189A, ASN179A, GLN143F, GLN178A, GLU101F, GLU144F, GLU98F, HIS108F, LYS102F, LYS139F, LYS142F, LYS145F, LYS184A, LYS186A, LYS187A, PHE104F, PRO182A, PRO183A, PRO188A, SER105F, THR181A, THR190A, TRP140F, TYR177A, VAL146F
• B-E: ARG141B, GLN178E, LYS142B, PRO176E, TRP140B
• B-F: ALA103F, ALA138B, ARG106B, ARG106F, ARG137B, ARG137F, ARG141B, GLU144F, HIS108B, HIS108F, LYS102F, LYS139B, LYS142B, PHE104B, PHE104F, PRO110B, PRO110F, SER105F, THR107B, THR107F, TRP140B, TRP140F, TYR109B, TYR109F
• E-F: ALA127F, ALA245E, ARG128F, ARG137F, ARG141F, ARG242E, ARG87F, ASP111F, GLN130F, GLN178E, GLN243E, GLU126F, GLU246E, GLU247E, HIS108F, HIS175E, ILE129F, LYS239E, PRO110F, PRO176E, THR107F, THR125F, THR238E, TYR109F, TYR177E, VAL131F