1YWT

crystal structure of the human sigma isoform of 14-3-3 in complex with a mode-1 phosphopeptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -3.6161
• 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	-24.0525	-77.0934	-256.846	-357.9919	99	8	14	11109	11	48	45
A-C	-39.4892	-7.2615	-87.4702	-134.2209	48	6	3	3921	0	3	5
B-D	-45.1254	-6.1163	-133.865	-185.1067	65	7	4	5278	0	8	12

Interface residues

• A-B: ALA10A, ALA10B, ALA13A, ALA13B, ALA16A, ALA16B, ALA24A, ALA24B, ALA4A, ALA4B, ALA57A, ALA57B, ALA58A, ALA58B, ARG18A, ARG18B, ARG56A, ARG56B, ARG60A, ARG60B, ARG82A, ARG82B, ARG85A, ARG85B, ASP21A, ASP21B, GLN15A, GLN15B, GLN55A, GLN55B, GLN8A, GLN8B, GLU14A, GLU14B, GLU17A, GLU17B, GLU20A, GLU20B, GLU2A, GLU2B, GLU66A, GLU66B, GLU80A, GLU80B, GLU83A, GLU83B, GLU86A, GLU89A, GLU89B, GLU91A, GLU91B, GLY54A, GLY54B, ILE65A, ILE65B, ILE7A, ILE7B, LEU12A, LEU12B, LEU62A, LEU62B, LEU6A, LEU6B, LEU92A, LEU92B, LYS11A, LYS11B, LYS87A, LYS87B, LYS9A, LYS9B, MET1A, MET1B, MET22A, MET22B, PHE25A, PHE25B, PRO79A, PRO79B, SER5A, SER5B, SER63A, SER63B, TRP59A, TRP59B, TYR19A, TYR19B, TYR84A, TYR84B, VAL51A, VAL51B, VAL52A, VAL52B, VAL61A, VAL61B, VAL81A, VAL81B, VAL88A, VAL88B
• A-C: ALA9C, ARG129A, ARG169A, ARG224A, ARG56A, ARG60A, ASN175A, ASN226A, ASN42A, ASN50A, ASP126A, ASP215A, ASP225A, GLN221A, GLU182A, GLY171A, GLY53A, HIS5C, ILE168A, ILE219A, LEU170A, LEU172A, LEU174A, LEU218A, LEU222A, LEU223A, LEU227A, LEU229A, LYS122A, LYS49A, MET123A, PHE119A, PHE176A, PHE179A, PRO167A, PRO8C, SER177A, SER216A, SER45A, SER4C, TRP230A, TYR127A, TYR130A, TYR151A, TYR181A, TYR7C, VAL178A, VAL46A
• B-D: ALA190B, ALA2D, ALA47B, ALA57B, ALA9D, ARG129B, ARG224B, ARG3D, ARG56B, ARG60B, ASN175B, ASN226B, ASN42B, ASN50B, ASP126B, ASP215B, ASP225B, GLN221B, GLN67B, GLU133B, GLU182B, GLY171B, GLY53B, HIS5D, ILE168B, ILE183B, ILE219B, LEU170B, LEU172B, LEU174B, LEU218B, LEU222B, LEU223B, LEU227B, LEU229B, LEU44B, LYS122B, LYS214B, LYS49B, LYS68B, MET123B, MET1D, PHE119B, PHE176B, PHE179B, PRO167B, PRO8D, SER177B, SER216B, SER45B, SER4D, SER63B, SER64B, THR228B, TRP230B, TRP59B, TYR127B, TYR130B, TYR151B, TYR181B, TYR48B, TYR7D, VAL178B, VAL46B, VAL61B