3HSA

crystal structure of pleckstrin homology domain (yp_926556.1) from shewanella amazonensis sb2b at 1.99 a resolution

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 78
  • Norm. En. per Res.: -4.0032
• Hub Node: A(4)

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	0.0	-0.5918	-0.5918	7	0	0	96	0	2	1
A-C	0.0	0.0	-0.189	-0.189	6	0	0	48	0	2	1
A-D	-65.7975	-5.4825	-179.737	-251.0171	76	15	5	7478	0	9	10
A-E	-55.8174	-2.1776	-180.835	-238.83	71	7	5	7099	0	10	11
B-C	-66.095	13.0077	-201.836	-254.9233	72	11	5	7855	0	9	10
B-D	0.0	2.4967	-0.0523	2.4444	5	0	0	12	0	2	1
B-E	-84.4036	-4.0988	-223.747	-312.2493	78	12	6	8571	0	9	10
C-D	-54.6634	12.587	-219.638	-261.7144	76	8	5	8120	0	12	11
C-E	0.0	0.0	-0.0436	-0.0436	5	0	0	20	0	1	1

Interface residues

• A-B: GLN98A, GLY97A, GLY97B, HIS99A, HIS99B, SER96A, VAL75A
• A-C: GLN98A, GLN98C, GLY97A, GLY97C, HIS99A, HIS99C
• A-D: ALA120D, ALA123D, ALA73A, ALA82D, ALA89D, ARG121D, ARG50A, ASN30A, ASP29A, ASP55A, GLN116D, GLN57A, GLN78D, GLN98A, GLN98D, GLU100A, GLU100D, GLU31A, GLU80D, GLU90D, GLY114D, GLY125D, GLY28A, GLY58A, GLY61A, GLY83D, GLY97A, GLY97D, HIS67A, HIS76D, HIS99A, HIS99D, ILE115D, ILE119D, ILE26A, ILE52A, ILE54A, ILE69A, ILE74A, ILE74D, ILE95A, ILE95D, LEU102A, LEU124D, LEU23A, LEU27A, LEU51A, LEU53A, LEU91D, LEU93D, PHE77D, PRO101D, PRO25A, PRO70A, SER24A, SER48A, SER65A, SER68A, SER96A, SER96D, THR118D, THR47A, THR60A, THR81D, THR84D, TRP94D, TYR122D, TYR66A, TYR71A, VAL112D, VAL113D, VAL59A, VAL64A, VAL75A, VAL75D, VAL79D
• A-E: ALA120A, ALA123A, ALA73E, ALA82A, ALA89A, ARG121A, ARG50E, ASN30E, ASP29E, ASP55E, ASP86A, GLN116A, GLN57E, GLN78A, GLN98A, GLN98E, GLU100A, GLU100E, GLU31E, GLU80A, GLU90A, GLY114A, GLY28E, GLY58E, GLY61E, GLY97A, GLY97E, HIS67E, HIS76A, HIS99A, HIS99E, ILE115A, ILE119A, ILE26E, ILE52E, ILE54E, ILE69E, ILE74A, ILE74E, ILE95A, ILE95E, LEU102E, LEU124A, LEU27E, LEU51E, LEU53E, LEU91A, LEU93A, PHE77A, PRO101A, PRO25E, PRO70E, SER24E, SER48E, SER65E, SER68E, SER96A, SER96E, THR118A, THR47E, THR60E, THR81A, TRP94A, TYR66E, TYR71E, VAL112A, VAL113A, VAL64E, VAL75A, VAL75E, VAL79A
• B-C: ALA120B, ALA123B, ALA73C, ALA82B, ALA89B, ARG121B, ARG50C, ASN30C, ASP29C, ASP55C, GLN116B, GLN57C, GLN78B, GLN98B, GLN98C, GLU100B, GLU100C, GLU31C, GLU80B, GLU90B, GLY114B, GLY125B, GLY28C, GLY61C, GLY83B, GLY97B, GLY97C, HIS67C, HIS76B, HIS99B, HIS99C, ILE115B, ILE119B, ILE26C, ILE52C, ILE54C, ILE69C, ILE74B, ILE74C, ILE95B, ILE95C, LEU102C, LEU124B, LEU23C, LEU27C, LEU51C, LEU53C, LEU91B, LEU93B, PHE77B, PHE85B, PRO101B, PRO25C, PRO70C, SER24C, SER48C, SER65C, SER68C, SER96B, SER96C, THR118B, THR47C, THR81B, TRP94B, TYR66C, TYR71C, VAL112B, VAL113B, VAL64C, VAL75B, VAL75C, VAL79B
• B-D: GLY97B, GLY97D, HIS99B, HIS99D, SER96D
• B-E: ALA120E, ALA123E, ALA73B, ALA73E, ALA82E, ALA89E, ARG121E, ARG50B, ASN30B, ASP29B, ASP55B, ASP88E, GLN116E, GLN57B, GLN78E, GLN98B, GLN98E, GLU100B, GLU100E, GLU31B, GLU80E, GLU90E, GLY114E, GLY125E, GLY28B, GLY61B, GLY83E, GLY97B, GLY97E, HIS67B, HIS76E, HIS99B, HIS99E, ILE115E, ILE119E, ILE26B, ILE52B, ILE54B, ILE69B, ILE74B, ILE74E, ILE95B, ILE95E, LEU102B, LEU124E, LEU23B, LEU27B, LEU51B, LEU53B, LEU91E, LEU93E, PHE77E, PRO101B, PRO101E, PRO25B, PRO70B, SER24B, SER48B, SER65B, SER68B, SER96B, SER96E, THR118E, THR47B, THR60B, THR81E, THR84E, TRP94E, TYR122E, TYR66B, TYR71B, TYR71E, VAL112E, VAL113E, VAL64B, VAL75B, VAL75E, VAL79E
• C-D: ALA120C, ALA123C, ALA73C, ALA73D, ALA82C, ALA89C, ARG121C, ARG41D, ARG50D, ASN30D, ASP29D, ASP55D, ASP86C, GLN116C, GLN57D, GLN78C, GLN98C, GLN98D, GLU100C, GLU100D, GLU31D, GLU80C, GLU90C, GLY114C, GLY125C, GLY28D, GLY61D, GLY97C, GLY97D, HIS67D, HIS76C, HIS99C, HIS99D, ILE115C, ILE119C, ILE26D, ILE52D, ILE54D, ILE69D, ILE74C, ILE74D, ILE95C, ILE95D, LEU102D, LEU124C, LEU23D, LEU27D, LEU51D, LEU53D, LEU91C, LEU93C, PHE77C, PHE85C, PRO101C, PRO25D, PRO70D, SER24D, SER48D, SER65D, SER68D, SER96C, SER96D, THR118C, THR47D, THR60D, THR81C, TRP94C, TYR66D, TYR71C, TYR71D, VAL112C, VAL113C, VAL64D, VAL75C, VAL75D, VAL79C
• C-E: GLY97C, GLY97E, HIS99C, HIS99E, SER96E