1USV

the structure of the complex between aha1 and hsp90

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 87
  • Norm. En. per Res.: -4.021
• 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	-70.6436	-143.9767	-135.21	-349.8303	87	13	2	6319	10	60	31
A-C	0.0	28.2782	-48.7339	-20.4556	38	4	1	2360	0	17	14
A-E	0.0	-8.3481	-14.806	-23.1541	20	1	0	566	0	9	12
B-D	-14.161	-12.177	-10.925	-37.263	27	0	0	895	2	10	12
B-E	0.0	0.0	-0.6536	-0.6536	4	0	0	39	0	3	3
C-D	-43.9677	-84.7198	-144.251	-272.9385	90	13	2	6690	9	60	34
C-E	-7.6753	-15.8662	-65.0807	-88.6223	32	5	1	2631	1	7	12
D-E	0.0	0.0	-0.0032	-0.0032	2	0	0	4	0	2	0
E-F	-22.974	-132.4396	-136.766	-292.1796	86	6	2	6269	10	57	34
E-H	0.0	0.0	-0.3015	-0.3015	8	0	0	86	0	1	4
F-G	-5.2992	-12.529	-94.9284	-112.7567	34	13	0	2814	3	11	8
G-H	-27.8064	-99.9505	-141.869	-269.6259	93	11	2	6443	10	57	29

Interface residues

• A-B: ALA437A, ALA438A, ALA99B, ARG128B, ARG393A, ARG436A, ARG59B, ASN386A, ASN395A, ASN435A, ASN470A, ASN57B, ASN94B, ASP101B, ASP110B, ASP373A, ASP432A, ASP527A, ASP53B, ASP68B, CYS54B, GLN108B, GLN314A, GLN434A, GLN512A, GLU103B, GLU116B, GLU122B, GLU312A, GLU316A, GLU372A, GLU402A, GLU515A, GLU517A, GLU55B, GLU97B, GLY313A, GLY518A, GLY52B, ILE111B, ILE113B, ILE388A, ILE392A, ILE64B, LEU132B, LEU147B, LEU315A, LEU439A, LEU513A, LEU521A, LEU66B, LEU69B, LYS124B, LYS387A, LYS390A, LYS394A, LYS398A, LYS469A, LYS514A, LYS519A, LYS60B, LYS62B, LYS70B, MET389A, PHE100B, PHE109B, PHE317A, PHE516A, PHE67B, PRO125B, PRO96B, SER102B, SER105B, SER106B, SER112B, SER118B, SER121B, SER65B, THR433A, THR520A, TYR107B, VAL311A, VAL391A, VAL56B, VAL63B, VAL95B, VAL98B
• A-C: ALA481A, ALA490A, ALA509C, ASP489A, ASP503C, ASP506C, ASP523A, ASP527A, GLN512C, GLU360C, GLU431C, GLU477A, GLU477C, GLU507A, GLU507C, GLY476A, HIS430C, ILE474A, ILE505C, ILE524A, LEU427C, LEU488A, LEU491A, LYS423C, LYS484A, LYS514C, LYS526A, LYS526C, PHE487A, PHE510C, PRO486A, PRO504C, SER478A, SER485A, THR511C, THR525A, TYR508C, VAL482A
• A-E: ARG463A, ARG463E, ASN495A, ASN495E, ASP459E, GLU453E, GLU466A, HIS467A, LYS449A, LYS449E, LYS469A, MET464A, MET464E, PRO465A, PRO465E, THR458E, THR462A, THR462E, TYR460E, VAL461E
• B-D: ASP83B, GLU116B, GLU119B, GLU51D, GLU76D, GLU90D, GLY84B, ILE113B, ILE50D, LEU74D, LEU87B, LYS115B, LYS115D, LYS21D, LYS25D, LYS45D, LYS70D, LYS82B, PHE114B, PHE114D, PRO88B, SER48D, SER49D, SER81B, THR117B, THR72D, VAL47D
• B-E: GLU130B, GLU466E, LYS40B, SER129B
• C-D: ALA437C, ALA438C, ALA99D, ARG128D, ARG346C, ARG393C, ARG436C, ARG59D, ASN386C, ASN395C, ASN435C, ASN470C, ASN57D, ASN94D, ASP101D, ASP110D, ASP373C, ASP432C, ASP53D, ASP68D, CYS54D, GLN108D, GLN314C, GLN385C, GLN434C, GLN512C, GLU103D, GLU116D, GLU122D, GLU312C, GLU316C, GLU372C, GLU515C, GLU517C, GLU55D, GLU97D, GLY143D, GLY313C, GLY518C, GLY52D, ILE111D, ILE388C, ILE392C, ILE64D, LEU132D, LEU146D, LEU147D, LEU315C, LEU374C, LEU439C, LEU513C, LEU521C, LEU66D, LEU69D, LYS124D, LYS387C, LYS390C, LYS394C, LYS398C, LYS469C, LYS514C, LYS519C, LYS60D, LYS62D, LYS70D, MET389C, PHE100D, PHE109D, PHE317C, PHE516C, PHE67D, PRO125D, PRO375C, PRO96D, SER102D, SER105D, SER106D, SER112D, SER118D, SER121D, SER65D, THR433C, THR520C, TYR107D, VAL311C, VAL391C, VAL56D, VAL63D, VAL95D, VAL98D
• C-E: ARG279E, ARG346C, ASN280E, ASN377C, ASP283E, ASP410E, GLN286E, GLN385C, GLN413E, GLU287E, GLU288E, GLU406E, GLU409E, HIS308E, ILE284E, ILE350C, LEU374C, LEU376C, LEU378C, LYS307E, MET382C, PHE349C, PRO281E, PRO375C, SER282E, THR285E, THR351C, TYR289E, TYR305E, VAL306E, VAL345C, VAL348C
• D-E: ARG59D, SER282E
• E-F: ALA437E, ALA438E, ALA99F, ARG128F, ARG436E, ARG59F, ASN386E, ASN395E, ASN435E, ASN470E, ASN57F, ASN94F, ASP101F, ASP110F, ASP373E, ASP432E, ASP53F, ASP68F, CYS54F, GLN108F, GLN314E, GLN385E, GLN434E, GLN512E, GLU103F, GLU116F, GLU122F, GLU312E, GLU316E, GLU372E, GLU515E, GLU517E, GLU51F, GLU55F, GLU97F, GLY313E, GLY518E, GLY52F, ILE111F, ILE113F, ILE388E, ILE392E, ILE64F, LEU132F, LEU147F, LEU315E, LEU374E, LEU439E, LEU513E, LEU521E, LEU66F, LEU69F, LYS124F, LYS387E, LYS390E, LYS394E, LYS398E, LYS469E, LYS514E, LYS519E, LYS60F, LYS62F, LYS70F, MET389E, PHE100F, PHE109F, PHE317E, PHE516E, PHE67F, PRO125F, PRO375E, PRO96F, SER102F, SER105F, SER106F, SER112F, SER121F, SER65F, THR433E, THR520E, TYR107F, VAL311E, VAL391E, VAL63F, VAL95F, VAL98F
• E-H: ALA148H, ARG346E, ASN377E, GLN141H, GLY61H, LEU376E, LYS272E, LYS62H
• F-G: ALA319G, ARG279G, ARG318G, ASN152F, ASN280G, ASP153F, ASP283G, GLN58F, GLU312G, GLU316G, GLY151F, HIS10F, HIS150F, HIS308G, ILE154F, ILE284G, ILE320G, LEU276G, LYS14F, LYS274G, LYS307G, LYS399G, LYS60F, PHE309G, PHE317G, PRO281G, SER282G, SER310G, THR278G, TRP11F, TRP277G, TRP9F, VAL12F, VAL311G
• G-H: ALA437G, ALA438G, ALA440G, ALA99H, ARG128H, ARG346G, ARG393G, ARG436G, ARG59H, ASN386G, ASN395G, ASN435G, ASN470G, ASN57H, ASN94H, ASP101H, ASP110H, ASP373G, ASP432G, ASP53H, ASP68H, CYS54H, GLN108H, GLN314G, GLN385G, GLN434G, GLN512G, GLU103H, GLU116H, GLU122H, GLU316G, GLU372G, GLU515G, GLU517G, GLU51H, GLU55H, GLU97H, GLY143H, GLY313G, GLY518G, GLY52H, ILE111H, ILE113H, ILE388G, ILE392G, ILE64H, LEU132H, LEU146H, LEU147H, LEU315G, LEU374G, LEU439G, LEU513G, LEU521G, LEU66H, LEU69H, LYS124H, LYS387G, LYS390G, LYS394G, LYS398G, LYS469G, LYS514G, LYS519G, LYS60H, LYS62H, LYS70H, MET389G, PHE100H, PHE109H, PHE317G, PHE516G, PHE67H, PRO125H, PRO375G, PRO96H, SER102H, SER105H, SER106H, SER112H, SER118H, SER121H, SER65H, SER92H, THR433G, THR520G, TYR107H, VAL311G, VAL391G, VAL56H, VAL63H, VAL95H, VAL98H