3CK7

b. thetaiotaomicron susd with alpha-cyclodextrin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 25
  • Norm. En. per Res.: -1.9159
• 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	0.0	-14.0204	-27.0206	-41.041	62	1	1	1666	0	11	14
A-C	-6.1454	5.9952	-36.2585	-36.4087	25	2	0	1707	1	14	10
A-D	0.0	4.9403	-73.1502	-68.2099	53	5	0	3178	0	38	43
B-C	0.0	16.5386	-70.8525	-54.3139	53	3	0	3136	0	38	43
B-D	-14.1826	0.5559	-34.272	-47.8986	25	3	0	1709	0	14	11
C-D	-3.4433	-23.3468	-31.1997	-57.9898	63	2	0	1684	1	11	14

Interface residues

• A-B: ALA309A, ALA309B, ALA426A, ALA426B, ASN101A, ASN101B, ASN318A, ASN318B, ASP355A, ASP355B, ASP73A, ASP73B, GLN102A, GLU74A, GLU74B, GLY310A, GLY310B, GLY319A, GLY319B, GLY391B, GLY75A, GLY75B, HIS425A, HIS425B, LYS100A, LYS100B, LYS352A, LYS352B, LYS421A, LYS421B, MET314A, MET314B, PRO422A, PRO422B, SER321A, SER321B, SER424A, SER424B, THR316A, THR316B, THR317A, THR317B, THR351A, THR351B, THR356A, THR356B, THR427A, THR427B, TRP320A, TRP320B, TRP98A, TRP98B, TYR296A, TYR296B, TYR428A, TYR428B, VAL291A, VAL291B, VAL308A, VAL308B, VAL423A, VAL423B
• A-C: ALA362A, ALA362C, ASP355A, ASP355C, GLN359A, GLN359C, GLU358A, GLU358C, GLU366A, GLU366C, GLY353A, GLY353C, HIS367A, HIS367C, ILE360A, LEU354A, LEU354C, LYS352A, LYS352C, PHE363A, PHE363C, PRO350A, PRO350C, THR356A, THR356C
• A-D: ALA362A, ALA362D, ALA365A, ALA365D, ARG313A, ARG313D, ARG370A, ARG370D, ARG417A, ARG417D, ASP357A, ASP357D, ASP361A, ASP361D, ASP364A, ASP364D, ASP373A, ASP373D, ASP419A, ASP419D, GLN359A, GLN359D, GLU358A, GLU358D, GLU366A, GLU366D, GLU372A, GLU372D, GLY315D, GLY368A, GLY368D, GLY420A, GLY420D, HIS367A, HIS367D, ILE369A, ILE369D, LYS376A, LYS376D, LYS421A, LYS421D, PHE363A, PHE363D, PRO422A, PRO422D, SER418A, SER418D, THR356A, THR356D, TYR416A, TYR416D, VAL423A, VAL423D
• B-C: ALA362B, ALA362C, ALA365B, ALA365C, ARG313B, ARG313C, ARG370B, ARG370C, ARG417B, ARG417C, ASP357B, ASP357C, ASP361B, ASP361C, ASP364B, ASP364C, ASP373B, ASP373C, ASP419B, ASP419C, GLN359B, GLN359C, GLU358B, GLU358C, GLU366B, GLU366C, GLU372B, GLU372C, GLY315B, GLY368B, GLY368C, GLY420B, GLY420C, HIS367B, HIS367C, ILE369B, ILE369C, LYS376B, LYS376C, LYS421B, LYS421C, PHE363B, PHE363C, PRO422B, PRO422C, SER418B, SER418C, THR356B, THR356C, TYR416B, TYR416C, VAL423B, VAL423C
• B-D: ALA362B, ALA362D, ASP355B, ASP355D, GLN359B, GLN359D, GLU358B, GLU358D, GLU366B, GLU366D, GLY353B, GLY353D, HIS367B, HIS367D, ILE360B, LEU354B, LEU354D, LYS352B, LYS352D, PHE363B, PHE363D, PRO350B, PRO350D, THR356B, THR356D
• C-D: ALA309C, ALA309D, ALA426C, ALA426D, ASN101C, ASN101D, ASN318C, ASN318D, ASP355C, ASP355D, ASP73C, ASP73D, GLU74C, GLU74D, GLY310C, GLY310D, GLY319C, GLY319D, GLY391C, GLY391D, GLY75C, GLY75D, HIS425C, HIS425D, LYS100C, LYS100D, LYS352C, LYS352D, LYS421C, LYS421D, MET314C, MET314D, PRO422C, PRO422D, SER321C, SER321D, SER424C, SER424D, THR316C, THR316D, THR317C, THR317D, THR351C, THR351D, THR356C, THR356D, THR427C, THR427D, THR58C, TRP320C, TRP320D, TRP98C, TRP98D, TYR296C, TYR296D, TYR428C, TYR428D, VAL291C, VAL291D, VAL308C, VAL308D, VAL423C, VAL423D