2GWF

structure of a usp8-nrdp1 complex

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 53
  • Norm. En. per Res.: -4.8133
• Hub Node: A(5)

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	-59.2382	-39.7584	-104.938	-203.9347	50	9	0	4222	6	28	18
A-C	0.0	-4.3567	-57.774	-62.1307	34	2	1	2212	0	11	10
A-D	-3.9453	0.0	-24.5406	-28.4859	27	0	0	1376	0	6	4
A-E	-11.0143	0.2527	-73.1098	-83.8714	52	12	1	3495	0	4	13
A-F	0.0	-14.5919	-14.7432	-29.3351	24	2	0	852	0	12	5
B-E	0.0	-14.6732	-9.6263	-24.2995	23	0	0	606	0	11	4
B-F	-12.2632	-8.3132	-56.4615	-77.0379	37	4	0	2605	1	18	18
C-D	-56.8315	-83.3682	-114.903	-255.1027	53	7	0	4476	6	28	21
C-F	-12.108	-0.1502	-103.629	-115.8872	40	5	1	3678	3	8	11
D-E	0.0	-2.0754	-6.8086	-8.884	9	2	0	261	0	3	5
E-F	-70.3187	-44.9222	-115.091	-230.3319	50	6	0	4328	6	27	19

Interface residues

• A-B: ALA223B, ALA237A, ALA311B, ARG213B, ARG265B, ARG269B, ASP222B, ASP241A, ASP242A, ASP245A, GLN208A, GLN211A, GLN266B, GLU236A, GLU252B, GLU263B, GLY215B, GLY216B, HIS238A, HIS251B, HIS312B, ILE218B, ILE309B, LEU225B, LEU239A, LEU259B, LEU262B, LYS244A, LYS248A, LYS249A, MET207A, MET217B, PHE310B, PRO221B, PRO222A, PRO240A, SER219B, SER220A, SER233A, SER243A, THR220B, THR246A, THR261B, TRP214B, TRP234A, TRP247A, TRP255B, TYR210A, TYR272B, VAL224B
• A-C: ALA232C, ALA237C, ARG205A, ARG206A, ARG250C, ASN303A, ASP209A, ASP267A, GLU236C, GLU285C, GLU302A, GLY299A, GLY300A, HIS238C, ILE235C, LEU305A, LEU306A, LYS244C, LYS248C, LYS266A, LYS287C, PHE262A, SER233C, SER263A, SER264A, SER286C, THR231C, THR288C, TRP234C, TRP261A, TRP284C, TYR301A, VAL230C, VAL289C
• A-D: ALA185A, ALA223D, ALA260D, ARG253D, ARG265D, ASN303A, ASP222D, CYS307A, GLN257D, GLN310A, GLU248D, GLU252D, HIS251D, LEU259D, LEU305A, LEU306A, LYS186A, PRO221D, PRO256D, PRO309A, SER254D, THR220D, THR261D, TRP255D, TRP304A, TYR189A, TYR308A
• A-E: ALA315A, ALA315E, ARG250A, ASN196E, ASN252A, ASN314A, ASN314E, ASP194E, ASP212E, ASP242A, ASP242E, ASP245A, ASP245E, CYS214A, CYS214E, CYS307E, GLN310A, GLN310E, HIS217A, HIS217E, ILE197E, ILE200A, LEU199A, LEU216A, LEU216E, LYS195A, LYS195E, LYS249A, LYS249E, LYS316E, MET192A, MET192E, PRO309A, PRO309E, SER198A, SER198E, THR193A, THR193E, THR246A, THR246E, THR312A, THR312E, THR313A, THR313E, TRP304A, TYR189A, TYR189E, TYR308A, TYR308E, TYR311A, TYR311E, VAL253A
• A-F: ALA315A, ARG206A, ARG210F, ARG213F, ARG269F, ARG270F, ASN314A, ASP209A, ASP212A, GLN208A, GLN211A, GLN266F, GLU224A, GLU273F, GLU315F, GLY215F, GLY313F, LEU305A, MET207A, SER213A, THR212F, TRP214F, TRP261A, VAL211F
• B-E: ALA315E, ARG210B, ARG213B, ARG269B, ARG270B, ASN314E, ASP209E, ASP212E, GLN208E, GLN211E, GLN266B, GLU273B, GLU315B, GLY215B, GLY313B, LEU305E, LYS316E, MET207E, SER213E, THR212B, TRP214B, TRP261E, VAL211B
• B-F: ALA311B, ALA311F, ARG210B, ARG210F, ARG213B, ARG213F, ARG279B, ARG279F, GLN207B, GLN207F, GLN284B, GLN284F, GLU315B, GLU315F, GLU316B, GLU316F, GLY282B, GLY282F, GLY313B, GLY313F, HIS312B, HIS312F, ILE280B, ILE280F, ILE317B, ILE317F, LYS283B, LYS283F, PHE310B, PRO208B, PRO208F, PRO281B, PRO281F, THR212B, THR212F, VAL314B, VAL314F
• C-D: ALA223D, ALA225C, ALA237C, ALA311D, ARG213D, ARG265D, ARG269D, ASP222D, ASP241C, ASP242C, ASP245C, GLN208C, GLN211C, GLN266D, GLN284D, GLU224C, GLU236C, GLU252D, GLU263D, GLY215D, GLY216D, HIS238C, HIS251D, HIS312D, ILE218D, ILE309D, LEU225D, LEU239C, LEU259D, LEU262D, LYS244C, LYS248C, LYS249C, MET207C, MET217D, PHE310D, PRO221D, PRO222C, PRO240C, SER219D, SER220C, SER233C, SER243C, THR220D, THR246C, THR261D, TRP214D, TRP234C, TRP247C, TRP255D, TYR210C, TYR272D, VAL224D
• C-F: ALA232C, ALA280C, ARG269F, ARG270F, ARG275C, ASN268F, ASN274F, ASP279C, ASP298F, ASP299F, GLN266F, GLN269C, GLU263F, GLU273F, GLU285C, GLY229C, GLY258F, GLY271C, GLY297F, HIS295F, ILE226C, ILE270C, LEU277C, LYS278C, LYS283C, MET267F, MET296F, MET300F, PRO228C, SER227C, SER233C, SER276C, THR231C, THR264F, THR272C, TRP234C, TRP284C, TYR271F, TYR272F, VAL230C
• D-E: ASN196E, ASN244D, GLU245D, GLU248D, ILE197E, ILE247D, LYS195E, LYS230D, VAL243D
• E-F: ALA223F, ALA237E, ALA311F, ARG213F, ARG265F, ARG269F, ASP222F, ASP241E, ASP242E, ASP245E, GLN208E, GLN211E, GLN266F, GLU236E, GLU252F, GLU263F, GLY215F, GLY216F, HIS238E, HIS251F, HIS312F, ILE218F, ILE235E, ILE309F, LEU225F, LEU239E, LEU259F, LEU262F, LYS244E, LYS248E, LYS249E, MET207E, MET217F, PHE310F, PRO221F, PRO240E, SER219F, SER220E, SER233E, SER243E, THR220F, THR246E, THR261F, TRP214F, TRP234E, TRP247E, TRP255F, TYR210E, TYR272F, VAL224F