3F90

desulfovibrio desulfuricans (atcc 29577) semiquinone flavodoxin

• Total interactions analyzed: 28
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 62
  • Norm. En. per Res.: -1.5483
• 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	-9.1983	76.2604	-69.3925	-2.3304	48	3	0	2318	0	7	33
A-F	-45.1525	89.4686	-140.31	-95.9939	62	6	3	5625	0	20	22
A-H	0.0	0.0	-0.0192	-0.0192	4	0	0	7	0	0	2
A-G	-11.1509	79.7655	-73.5812	-4.9666	45	3	0	2280	0	6	32
B-E	-14.7836	93.266	-69.4557	9.0267	46	3	0	2265	0	6	31
D-E	-11.6227	92.3484	-174.401	-93.6753	62	4	4	6365	0	22	23
F-G	0.0	0.0	-0.0289	-0.0289	7	0	0	13	0	6	3

Interface residues

• A-B: ALA136A, ALA138A, ALA59B, ASN132A, ASN14B, ASN37B, ASP129B, ASP133A, ASP143A, ASP64B, ASP69B, ASP70B, ASP95B, GLN68B, GLN96A, GLU122A, GLU135A, GLU142A, GLU16B, GLU24A, GLU63B, GLU66B, GLU97B, GLY123A, GLY13B, GLY61B, GLY9B, LEU124A, LEU25A, LEU72B, LYS125A, LYS146A, LYS21A, MET126A, MET62B, MET67B, PHE140A, PHE71B, PRO134A, SER10B, SER11B, SER131A, SER139A, SER58B, THR12B, TRP60B, TYR98B, VAL137A
• A-F: ALA19A, ALA19F, ALA27A, ALA27F, ALA28A, ALA28F, ASN37A, ASN37F, ASP40A, ASP40F, ASP48A, ASP48F, GLN20A, GLN20F, GLU16A, GLU16F, GLU23A, GLU23F, GLU24A, GLU24F, GLU32A, GLU32F, GLY29A, GLY29F, GLY30A, GLY30F, GLY49A, GLY49F, HIS31A, HIS31F, ILE26A, ILE26F, ILE6A, ILE6F, LEU22A, LEU22F, LEU25A, LEU25F, LEU35A, LEU35F, LEU36A, LEU36F, LEU5A, LEU5F, LYS21A, LYS21F, LYS3A, LYS3F, PHE8A, PHE8F, SER17A, SER17F, SER2A, SER2F, THR34A, THR34F, TYR50A, TYR50F, VAL33A, VAL33F, VAL4A, VAL4F
• A-H: ALA84A, GLN147H, GLY85A, LYS146H
• A-G: ALA130G, ALA136G, ALA138G, ALA59A, ASN132G, ASN37A, ASP133G, ASP143G, ASP64A, ASP69A, ASP70A, ASP95A, GLN68A, GLN96G, GLU122G, GLU135G, GLU142G, GLU16A, GLU24G, GLU63A, GLU97A, GLY13A, GLY61A, GLY9A, LEU124G, LEU25G, LEU72A, LYS125G, LYS146G, LYS21G, MET126G, MET62A, MET67A, PHE140G, PHE71A, PRO134G, SER10A, SER11A, SER131G, SER139G, SER58A, THR12A, TRP60A, TYR98A, VAL137G
• B-E: ALA130B, ALA136B, ALA138B, ALA59E, ASN132B, ASN37E, ASP133B, ASP143B, ASP64E, ASP69E, ASP70E, ASP95E, GLN68E, GLN96B, GLU122B, GLU135B, GLU142B, GLU16E, GLU24B, GLU63E, GLU66E, GLU97E, GLY13E, GLY61E, GLY9E, LEU124B, LEU25B, LEU72E, LYS125B, LYS146B, LYS21B, MET126B, MET62E, MET67E, PHE140B, PHE71E, PRO134B, SER10E, SER11E, SER131B, SER139B, SER58E, THR12E, TRP60E, TYR98E, VAL137B
• D-E: ALA19D, ALA19E, ALA27D, ALA27E, ALA28D, ALA28E, ALA39D, ASN37D, ASN37E, ASP40D, ASP40E, ASP48E, GLN20D, GLN20E, GLU16D, GLU16E, GLU23D, GLU23E, GLU24D, GLU24E, GLU32D, GLU32E, GLY29D, GLY29E, GLY30D, GLY30E, GLY49E, HIS31D, HIS31E, ILE26D, ILE26E, ILE6D, ILE6E, LEU22D, LEU22E, LEU25D, LEU25E, LEU35D, LEU35E, LEU36D, LEU36E, LEU5D, LEU5E, LYS21D, LYS21E, LYS3D, LYS3E, PHE8D, PHE8E, SER17D, SER17E, SER2D, SER2E, THR34D, THR34E, TYR50D, TYR50E, VAL33D, VAL33E, VAL4D, VAL4E, VAL7D
• F-G: ARG86F, ASP51F, GLN96G, GLU97G, GLU99G, GLY49F, LYS87F