3N1Q

crystal structure of dhhn bound to cdofn3

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 68
  • Norm. En. per Res.: -5.8468
• Hub Node: C(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
B-C	-59.6843	-168.2112	-178.706	-406.6016	70	15	0	6436	11	58	47
B-E	-8.7589	18.3991	-34.2173	-24.577	27	1	0	1437	0	16	15
B-F	-3.4943	0.0	-7.1086	-10.6029	18	0	0	305	0	7	5
C-A	-7.3588	0.0	-3.9993	-11.3581	9	2	0	255	0	2	4
C-D	0.0	-15.709	-98.3364	-114.0454	37	3	0	3718	0	9	10
C-E	-8.9162	-18.2751	-58.4839	-85.6752	35	2	0	2540	1	11	12
A-D	-63.5211	-160.8895	-173.174	-397.5846	68	15	0	6389	11	56	46
E-F	-70.0212	-148.6415	-168.143	-386.8057	69	11	0	6506	10	60	47

Interface residues

• B-C: ALA833C, ARG124B, ARG154B, ARG156B, ARG179B, ARG66B, ARG867C, ASN180B, ASN873C, ASN917C, ASN92B, ASP130B, ASP132B, ASP148B, ASP153B, ASP155B, ASP870C, ASP872C, ASP874C, ASP89B, ASP901C, ASP96B, CYS921C, GLN895C, GLU127B, GLU131B, GLU177B, GLU897C, GLU90B, GLU91B, GLU922C, GLY128B, GLY133B, HIS134B, HIS135B, HIS181B, HIS831C, ILE832C, ILE86B, ILE902C, ILE920C, LYS88B, LYS903C, LYS924C, MET919C, PHE87B, PHE915C, PRO868C, PRO896C, SER152B, SER178B, SER871C, SER899C, SER916C, SER93B, THR126B, THR150B, THR151B, THR835C, THR869C, THR898C, THR923C, TYR142B, TYR159B, TYR45B, TYR834C, TYR877C, TYR900C, VAL125B, VAL918C
• B-E: ALA95E, ARG122B, ARG124B, ARG154B, ARG156B, ARG69E, ARG75E, ARG97E, ASN157B, ASN92E, ASP153B, ASP155B, ASP89E, GLU90E, GLU91E, GLY120B, GLY94E, LEU98E, LYS158B, PRO119B, PRO79E, SER152B, SER93E, THR151B, TRP118B, TYR81E, VAL121B
• B-F: ARG867F, ASN116B, ASN157B, ASN873F, ASP155B, ASP872F, ASP874F, GLN39B, GLU914F, GLY910F, GLY911F, LYS903F, MET117B, PHE915F, PRO119B, SER875F, TRP118B, TYR877F
• C-A: ALA136A, GLN137A, GLN887C, LYS846C, LYS886C, SER885C, THR848C, TRP847C, TYR849C
• C-D: ALA833D, ALA837C, ALA837D, GLN842C, GLN842D, GLN887C, GLN887D, GLU836C, GLU836D, HIS889C, HIS889D, ILE843C, ILE843D, LEU845C, LEU845D, LYS846C, LYS846D, LYS886C, LYS886D, LYS924C, LYS924D, MET844C, MET844D, MET890C, MET890D, SER839C, SER839D, SER885C, THR835D, TRP847C, TRP888C, TRP888D, TYR834C, TYR834D, VAL838C, VAL838D, VAL882C
• C-E: ALA111E, ARG122E, ARG867C, ARG97E, ASN108E, ASN80E, ASN82E, ASN873C, ASP84E, ASP870C, ASP872C, ASP876C, GLN895C, GLU101E, HIS893C, ILE112E, ILE85E, ILE86E, LEU894C, LYS104E, LYS878C, MET115E, PRO79E, PRO83E, PRO868C, PRO896C, SER871C, SER875C, SER899C, THR869C, THR898C, TYR81E, TYR866C, TYR900C, VAL78E
• A-D: ALA833D, ARG124A, ARG154A, ARG156A, ARG179A, ARG66A, ARG867D, ASN180A, ASN873D, ASN917D, ASN92A, ASP130A, ASP132A, ASP148A, ASP153A, ASP155A, ASP870D, ASP872D, ASP874D, ASP876D, ASP89A, ASP901D, ASP96A, CYS921D, GLU127A, GLU131A, GLU177A, GLU836D, GLU897D, GLU90A, GLU91A, GLU922D, GLY133A, HIS134A, HIS135A, HIS181A, HIS831D, ILE832D, ILE86A, ILE902D, ILE920D, LYS46A, LYS88A, LYS903D, MET919D, PHE87A, PHE915D, PRO868D, PRO896D, SER152A, SER178A, SER871D, SER899D, SER916D, THR126A, THR150A, THR835D, THR869D, THR898D, THR923D, TYR142A, TYR159A, TYR45A, TYR834D, TYR877D, TYR900D, VAL125A, VAL918D
• E-F: ALA833F, ARG124E, ARG154E, ARG156E, ARG179E, ARG66E, ARG867F, ASN180E, ASN873F, ASN917F, ASN92E, ASP130E, ASP132E, ASP148E, ASP153E, ASP155E, ASP870F, ASP872F, ASP874F, ASP876F, ASP89E, ASP901F, ASP96E, CYS921F, GLU127E, GLU131E, GLU177E, GLU897F, GLU90E, GLU91E, GLU922F, GLY128E, GLY133E, HIS134E, HIS135E, HIS181E, HIS831F, ILE832F, ILE86E, ILE902F, ILE920F, LYS46E, LYS88E, LYS903F, LYS924F, MET919F, PHE87E, PHE915F, PRO868F, PRO896F, SER152E, SER178E, SER871F, SER899F, SER916F, THR126E, THR150E, THR835F, THR869F, THR898F, THR923F, TYR142E, TYR159E, TYR45E, TYR834F, TYR877F, TYR900F, VAL125E, VAL918F