1PSB

solution structure of calcium loaded s100b complexed to a peptide from n-terminal regulatory domain of ndr kinase.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 114
  • Norm. En. per Res.: -5.2994
• 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	-82.8601	-28.5801	-492.695	-604.1351	114	15	19	18137	8	51	51
A-C	-20.8735	-0.2577	-224.672	-245.8031	57	3	7	8446	6	35	28
A-D	0.0	0.0	-0.3341	-0.3341	7	0	0	61	0	4	3
B-C	0.0	-5.0752	-0.1813	-5.2564	10	0	0	37	0	6	4
B-D	-20.8471	-22.1794	-204.815	-247.8415	56	4	5	7569	3	32	28

Interface residues

• A-B: ALA6A, ALA6B, ALA75A, ALA75B, ALA78A, ALA78B, ALA83A, ALA83B, ALA9A, ALA9B, ASN37A, ASN37B, ASN38A, ASN38B, ASP12A, ASP12B, ASP23A, ASP23B, ASP69A, ASP69B, CYS84A, CYS84B, GLN16A, GLN16B, GLN71A, GLN71B, GLU2A, GLU2B, GLU34A, GLU39A, GLU39B, GLU4A, GLU4B, GLU72A, GLU72B, GLU86A, GLU86B, GLU89A, GLU89B, GLU91A, GLU91B, GLY19B, HIS15A, HIS15B, HIS25A, HIS25B, HIS42A, HIS42B, HIS85A, HIS85B, HIS90A, HIS90B, ILE11A, ILE11B, ILE36A, ILE36B, ILE80A, ILE80B, LEU10A, LEU10B, LEU27A, LEU27B, LEU35A, LEU35B, LEU3A, LEU3B, LEU40A, LEU40B, LEU44A, LEU44B, LYS24A, LYS24B, LYS26A, LYS26B, LYS5A, LYS5B, MET74A, MET74B, MET79A, MET79B, PHE14A, PHE14B, PHE43A, PHE43B, PHE70A, PHE70B, PHE73A, PHE73B, PHE76A, PHE76B, PHE87A, PHE87B, PHE88A, PHE88B, SER18A, SER18B, SER1A, SER1B, SER41A, SER41B, THR81A, THR81B, THR82A, THR82B, TYR17A, TYR17B, VAL13A, VAL13B, VAL77A, VAL77B, VAL7A, VAL7B, VAL8A, VAL8B
• A-C: ALA68C, ALA70C, ALA75A, ALA78A, ALA83A, ARG71C, ARG78C, ARG81C, ARG83C, ASN37A, CYS84A, GLN50A, GLU45A, GLU46A, GLU49A, GLU51A, GLU73C, GLU75C, GLU86A, GLU87C, GLU89A, GLU91A, GLY85C, HIS42A, HIS69C, HIS85A, HIS90A, ILE36A, ILE47A, ILE80A, LEU40A, LEU44A, LEU60A, LEU77C, LEU79C, LEU84C, LEU86C, LYS48A, LYS55A, LYS72C, LYS80C, MET79A, PHE43A, PHE76A, PHE76C, PHE87A, PHE88A, SER41A, THR59A, THR74C, THR81A, THR82A, THR82C, VAL52A, VAL53A, VAL56A, VAL77A
• A-D: ARG83D, GLU4A, GLU87D, HIS25A, ILE11A, VAL7A, VAL8A
• B-C: ARG83C, GLN71B, GLU4B, GLU87C, HIS25B, ILE11B, LEU84C, LYS80C, VAL7B, VAL8B
• B-D: ALA70D, ALA75B, ALA78B, ALA83B, ARG71D, ARG78D, ARG81D, ARG83D, ASN37B, CYS84B, GLN50B, GLU45B, GLU46B, GLU49B, GLU51B, GLU73D, GLU75D, GLU86B, GLU87D, GLU89B, GLU91B, GLY85D, HIS42B, HIS85B, HIS90B, ILE36B, ILE47B, ILE80B, LEU40B, LEU44B, LEU60B, LEU77D, LEU79D, LEU84D, LEU86D, LYS33B, LYS48B, LYS55B, LYS72D, LYS80D, MET79B, PHE43B, PHE76B, PHE76D, PHE87B, PHE88B, SER41B, THR59B, THR74D, THR81B, THR82B, THR82D, VAL52B, VAL53B, VAL56B, VAL77B