1OFT

crystal structure of sula from pseudomonas aeruginosa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 75
  • Norm. En. per Res.: -4.2354
• 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	-63.8787	-60.1146	-170.12	-294.1133	74	22	7	8351	3	18	10
A-C	0.0	0.0	-8.2148	-8.2148	12	0	0	353	1	8	3
A-D	-31.4588	-52.0709	-55.4665	-138.9962	37	5	0	3332	5	31	36
B-C	-22.6178	24.0572	-124.718	-123.2786	50	25	4	4953	3	13	27
B-D	0.0	0.0	-6.1565	-6.1565	10	1	0	377	0	6	3
C-D	-83.8215	-64.8937	-168.936	-317.6513	75	26	7	8406	4	18	10

Interface residues

• A-B: ALA153A, ALA44A, ALA44B, ALA45A, ALA45B, ALA63A, ALA63B, ALA95B, ARG141A, ARG141B, ARG159A, ARG159B, ARG67A, ARG67B, ASN157A, ASN157B, CYS58A, CYS58B, GLN154A, GLN154B, GLU48A, GLU48B, GLU68A, GLU68B, GLU71A, GLU71B, GLU72A, GLU72B, GLY53A, GLY53B, HIS127A, HIS127B, HIS57A, HIS57B, ILE158A, ILE158B, ILE65A, ILE65B, LEU156A, LEU156B, LEU49A, LEU49B, LEU51A, LEU51B, LEU54A, LEU54B, LEU61A, LEU61B, LEU62A, LEU62B, LEU66A, LEU66B, LEU69A, LEU69B, PHE46A, PHE46B, PRO43A, PRO43B, PRO64A, PRO64B, SER155A, SER155B, SER47A, SER47B, SER50A, SER50B, SER52A, SER52B, THR128A, THR128B, THR60A, THR60B, VAL130A, VAL130B
• A-C: ALA75C, ARG101C, ARG67C, ARG94A, GLN73C, GLU68C, GLU71C, GLU72C, GLY56A, HIS57A, LEU61A, THR60A
• A-D: ALA63A, ALA63D, ALA95A, ALA95D, ARG101A, ARG101D, ARG67A, ARG67D, ARG93A, ARG93D, ARG94A, ARG94D, ARG99A, ARG99D, ASN98A, ASN98D, GLU100A, GLU100D, GLU68A, GLU68D, GLU71A, GLU71D, GLU72A, GLU90A, GLU90D, GLY96A, GLY96D, HIS89A, HIS89D, LEU92A, LEU92D, LEU97A, LEU97D, PRO64A, PRO64D, SER70A, SER70D
• B-C: ALA147B, ALA148B, ALA148C, ALA153B, ALA153C, ALA45B, ALA45C, ALA75B, ALA75C, ARG101B, ARG101C, ARG122B, ARG125B, ARG125C, ARG76B, ARG76C, ASP74B, ASP74C, GLN149B, GLN149C, GLN152B, GLN152C, GLN154B, GLN154C, GLN73B, GLN73C, GLU68B, GLU68C, GLU72B, GLU72C, GLY124B, GLY124C, GLY151B, GLY151C, HIS127B, HIS127C, LEU103C, LEU121B, LEU123B, LEU123C, LEU150B, LEU150C, LEU69B, LEU69C, SER126B, SER126C, THR128B, THR128C, TRP77B, TRP77C
• B-D: ARG67B, ARG94D, GLN73B, GLU68B, GLU71B, GLU72B, GLY56D, HIS57D, LEU61D, THR60D
• C-D: ALA148D, ALA153D, ALA44C, ALA44D, ALA45C, ALA45D, ALA63C, ALA63D, ALA95C, ALA95D, ARG141C, ARG141D, ARG159C, ARG159D, ARG67C, ARG67D, ASN157C, ASN157D, CYS58C, CYS58D, GLN154C, GLN154D, GLU48C, GLU48D, GLU68C, GLU68D, GLU71C, GLU71D, GLU72C, GLU72D, GLY53C, GLY53D, HIS127C, HIS57C, HIS57D, ILE158C, ILE158D, ILE65C, ILE65D, LEU156C, LEU156D, LEU49C, LEU49D, LEU51C, LEU51D, LEU54C, LEU54D, LEU61C, LEU61D, LEU62C, LEU62D, LEU66C, LEU66D, LEU69C, LEU69D, PHE46C, PHE46D, PRO43C, PRO43D, PRO64C, PRO64D, SER155C, SER155D, SER47C, SER47D, SER50C, SER50D, SER52C, SER52D, THR128C, THR128D, THR60C, THR60D, VAL130C, VAL130D