3DCX

crystal structure of a duf1696 family protein with a pleckstrin- homology domain (shew_0819) from shewanella loihica pv-4 at 2.00 a resolution

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 80
  • Norm. En. per Res.: -5.3414
• 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	-86.527	-22.8708	-253.243	-362.6408	82	10	3	9742	0	26	22
A-D	0.0	0.0	-0.0045	-0.0045	3	0	0	5	0	0	2
A-E	-133.4601	-32.6433	-261.21	-427.3134	80	11	3	10151	3	26	24
B-C	-91.8979	-20.2125	-261.228	-373.3383	85	9	3	9926	3	26	24
B-D	0.0	0.0	-0.108	-0.108	5	0	0	35	0	1	2
B-E	0.0	0.0	-0.2041	-0.2041	7	0	0	62	0	1	2
C-D	-84.7871	-7.7767	-249.533	-342.0969	82	12	3	9122	2	26	23
C-E	0.0	0.0	-0.0026	-0.0026	3	0	0	4	0	0	1
D-E	-111.3021	0.7094	-243.493	-354.0857	75	11	3	9117	1	23	22

Interface residues

• A-B: ALA120B, ALA73A, ALA73B, ALA82B, ALA89B, ARG50A, ASN121B, ASN30A, ASN48A, ASP100A, ASP100B, ASP29A, ASP55A, ASP86B, GLN116B, GLN57A, GLN98A, GLN98B, GLU31A, GLU78B, GLU80B, GLU90B, GLY114B, GLY24A, GLY28A, GLY58A, GLY61A, GLY83B, GLY97A, GLY97B, HIS67A, HIS76B, ILE115B, ILE119B, ILE26A, ILE52A, ILE54A, ILE74A, ILE74B, ILE95A, ILE95B, LEU124B, LEU23A, LEU51A, LEU53A, LEU91B, LEU93B, LYS117B, LYS49A, LYS56A, LYS62A, LYS63A, LYS72A, LYS72B, LYS92B, LYS99A, LYS99B, PHE122B, PHE77B, PHE85B, PRO25A, PRO70A, SER123B, SER65A, SER68A, SER96A, SER96B, THR118B, THR47A, THR60A, THR75A, THR75B, THR81B, TRP94B, TYR66A, TYR71A, TYR71B, VAL112B, VAL113B, VAL64A, VAL69A, VAL79B
• A-D: GLY97A, GLY97D, SER96A
• A-E: ALA120A, ALA73A, ALA73E, ALA82A, ALA89A, ARG50E, ASN121A, ASN30E, ASN48E, ASP100E, ASP29E, ASP55E, ASP88A, GLN116A, GLN98A, GLN98E, GLU22E, GLU31E, GLU78A, GLU80A, GLU90A, GLY114A, GLY24E, GLY28E, GLY61E, GLY83A, GLY97A, GLY97E, HIS67E, HIS76A, ILE115A, ILE119A, ILE26E, ILE52E, ILE54E, ILE74A, ILE74E, ILE95A, ILE95E, LEU102E, LEU124A, LEU23E, LEU51E, LEU53E, LEU91A, LYS117A, LYS49E, LYS56E, LYS62E, LYS63E, LYS72A, LYS72E, LYS92A, LYS99A, LYS99E, PHE122A, PHE77A, PRO101A, PRO25E, PRO70E, SER123A, SER65E, SER68E, SER96A, SER96E, THR118A, THR47E, THR75A, THR75E, THR81A, THR84A, TRP94A, TYR66E, TYR71A, TYR71E, VAL112A, VAL113A, VAL64E, VAL69E, VAL79A
• B-C: ALA120C, ALA73B, ALA73C, ALA82C, ALA89C, ARG50B, ASN121C, ASN30B, ASN48B, ASP100B, ASP100C, ASP29B, ASP55B, ASP86C, GLN116C, GLN57B, GLN98B, GLN98C, GLU31B, GLU78C, GLU80C, GLU90C, GLY114C, GLY24B, GLY28B, GLY61B, GLY83C, GLY97B, GLY97C, HIS67B, HIS76C, ILE115C, ILE119C, ILE26B, ILE52B, ILE54B, ILE74B, ILE74C, ILE95B, ILE95C, LEU102B, LEU124C, LEU23B, LEU51B, LEU53B, LEU91C, LEU93C, LYS117C, LYS49B, LYS56B, LYS62B, LYS63B, LYS72B, LYS72C, LYS92C, LYS99B, LYS99C, PHE122C, PHE77C, PHE85C, PRO101B, PRO101C, PRO25B, PRO70B, SER123C, SER65B, SER68B, SER96B, SER96C, THR118C, THR47B, THR60B, THR75B, THR75C, THR81C, THR84C, TRP94C, TYR66B, TYR71B, TYR71C, VAL112C, VAL113C, VAL64B, VAL69B, VAL79C
• B-D: GLY97B, GLY97D, LYS99D, SER96B, SER96D
• B-E: GLN98B, GLN98E, GLY97B, GLY97E, SER96B, SER96E, THR75B
• C-D: ALA120D, ALA73C, ALA82D, ALA89D, ARG50C, ASN121D, ASN30C, ASN48C, ASP100C, ASP100D, ASP29C, ASP55C, ASP88D, GLN116D, GLN57C, GLN98C, GLN98D, GLU31C, GLU78D, GLU80D, GLU90D, GLY114D, GLY24C, GLY28C, GLY61C, GLY83D, GLY97C, GLY97D, HIS67C, HIS76D, ILE115D, ILE119D, ILE26C, ILE52C, ILE54C, ILE74C, ILE74D, ILE95C, ILE95D, LEU124D, LEU23C, LEU51C, LEU53C, LEU91D, LEU93D, LYS117D, LYS49C, LYS56C, LYS62C, LYS63C, LYS72C, LYS72D, LYS92D, LYS99C, LYS99D, PHE122D, PHE77D, PHE85D, PRO101D, PRO25C, PRO70C, SER123D, SER65C, SER68C, SER96C, SER96D, THR118D, THR47C, THR60C, THR75C, THR75D, THR81D, THR84D, TRP94D, TYR66C, TYR71C, TYR71D, VAL112D, VAL113D, VAL64C, VAL69C, VAL79D
• C-E: GLY97C, GLY97E, SER96C
• D-E: ALA120E, ALA73D, ALA89E, ARG50D, ASN121E, ASN30D, ASN48D, ASP100D, ASP100E, ASP29D, ASP55D, GLN116E, GLN57D, GLN98D, GLN98E, GLU31D, GLU78E, GLU80E, GLU90E, GLY114E, GLY24D, GLY28D, GLY97D, GLY97E, HIS67D, HIS76E, ILE115E, ILE119E, ILE26D, ILE52D, ILE54D, ILE74D, ILE74E, ILE95D, ILE95E, LEU102D, LEU124E, LEU23D, LEU51D, LEU53D, LEU91E, LEU93E, LYS117E, LYS49D, LYS56D, LYS62D, LYS63D, LYS72D, LYS72E, LYS92E, LYS99D, LYS99E, PHE122E, PHE77E, PRO101E, PRO25D, PRO70D, SER123E, SER65D, SER68D, SER96D, SER96E, THR118E, THR47D, THR75E, THR81E, TRP94E, TYR66D, TYR71D, TYR71E, VAL112E, VAL113E, VAL64D, VAL69D, VAL79E