2O1T

structure of middle plus c-terminal domains (m+c) of grp94

• Total interactions analyzed: 45
• Total true interactions: 17
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 223
  • Norm. En. per Res.: -3.206
• Hub Node: A(4)

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	25.0243	-1.4925	23.5317	8	0	0	173	0	12	14
A-E	-2.9101	0.0	-54.0672	-56.9773	43	17	3	2758	0	24	23
A-F	0.0	0.0	-1.1263	-1.1263	10	0	0	85	0	6	10
A-J	-16.7065	-84.569	-429.06	-530.3356	224	17	11	21944	7	170	123
B-C	-13.8161	-70.5305	-367.381	-451.7275	219	12	10	19941	4	166	118
B-H	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	6	8
B-J	0.0	-35.5471	-13.8725	-49.4196	23	0	0	639	0	26	18
C-D	0.0	-6.7042	-3.3475	-10.0517	16	0	0	226	0	23	28
C-J	0.0	0.0	0.7536	0.7536	38	26	1	2633	0	24	25
D-E	-27.1643	-90.9433	-467.85	-585.9577	229	50	15	23447	6	175	133
D-J	0.0	34.2657	-3.9476	30.3182	13	0	0	311	0	14	16
E-F	-14.872	-42.2999	-66.4785	-123.6505	87	1	0	3995	4	114	84
E-J	0.0	-25.0451	-27.4815	-52.5266	25	12	0	1578	3	43	27
F-G	-31.631	-142.2089	-541.107	-714.9469	223	54	15	25205	11	177	125
F-J	-4.6402	15.0347	-4.0417	6.3527	48	10	0	1866	1	45	45
H-I	-14.0803	-72.2866	-377.436	-463.8029	214	27	12	20720	6	170	121
H-J	-14.0054	-12.2365	-69.731	-95.9729	87	4	0	3768	5	114	78

Interface residues

• A-B: ASP367A, GLU365A, GLU602B, GLU606B, LYS603B, PRO394A, SER366A, SER392A
• A-E: ALA579E, ALA679E, ALA753A, ARG503E, ARG744A, ASN676E, ASN748A, ASP672E, ASP750A, ASP752A, GLN578E, GLN651E, GLN681E, GLU756A, GLU757A, GLU758A, GLU760A, GLU761A, GLU764A, GLY653E, ILE673E, ILE749A, LEU580E, LEU745A, LEU747A, LYS593E, LYS671E, LYS754A, MET662E, PRO581E, PRO751A, PRO759A, PRO763A, SER650E, SER674E, SER680E, SER746A, THR675E, TRP654E, TYR652E, TYR677E, TYR678E, VAL755A
• A-F: ASN620F, ASP624F, GLU642A, HIS517A, LYS560A, LYS623F, PRO518A, TYR652F, TYR677F, TYR678F
• A-J: ALA542A, ALA542J, ALA664A, ALA664J, ALA666J, ALA714A, ALA714J, ALA721A, ALA721J, ALA734A, ALA734J, ALA753A, ALA753J, ARG557A, ARG557J, ARG608A, ARG608J, ARG639A, ARG660A, ARG660J, ARG690A, ARG690J, ARG699A, ARG699J, ARG700A, ARG700J, ARG724A, ARG724J, ARG738A, ARG738J, ARG741A, ARG741J, ARG744A, ARG744J, ASN657A, ASN657J, ASN688A, ASN688J, ASN748A, ASN748J, ASP573A, ASP573J, ASP696A, ASP696J, ASP712A, ASP712J, ASP731A, ASP731J, ASP737A, ASP737J, ASP750A, ASP750J, CYS645A, CYS645J, GLN638A, GLN638J, GLN665A, GLN665J, GLN668A, GLN668J, GLU548A, GLU548J, GLU550A, GLU550J, GLU556A, GLU556J, GLU570A, GLU570J, GLU574A, GLU574J, GLU600A, GLU600J, GLU642A, GLU642J, GLU719A, GLU719J, GLU740A, GLU740J, GLU756A, GLU756J, GLU757A, GLU757J, GLU758A, GLU758J, GLU760A, GLU760J, GLU761A, GLU761J, GLU762A, GLU762J, GLU764A, GLU764J, GLU765A, GLU765J, GLY543A, GLY543J, GLY670A, GLY726A, GLY726J, GLY736A, GLY736J, HIS691A, HIS691J, ILE611A, ILE611J, ILE661A, ILE661J, ILE694A, ILE694J, ILE739A, ILE739J, ILE749A, ILE749J, LEU568A, LEU568J, LEU640A, LEU640J, LEU693A, LEU693J, LEU713A, LEU713J, LEU717A, LEU717J, LEU723A, LEU723J, LEU728A, LEU728J, LEU729A, LEU729J, LEU743A, LEU743J, LEU745A, LEU745J, LEU747A, LEU747J, LYS547A, LYS547J, LYS560A, LYS560J, LYS561A, LYS561J, LYS603A, LYS663A, LYS663J, LYS695A, LYS695J, LYS733A, LYS733J, LYS754A, LYS754J, MET697A, MET697J, MET742A, MET742J, PHE598A, PHE718A, PHE718J, PRO553A, PRO553J, PRO571A, PRO571J, PRO644A, PRO644J, PRO689A, PRO689J, PRO692A, PRO692J, PRO730A, PRO730J, PRO751A, PRO751J, PRO759A, PRO759J, PRO763A, PRO763J, SER544A, SER544J, SER545A, SER545J, SER551A, SER551J, SER552A, SER552J, SER601A, SER601J, SER607A, SER607J, SER637A, SER643A, SER643J, SER725A, SER725J, SER746A, SER746J, THR569A, THR569J, THR604A, THR604J, THR641A, THR641J, THR669A, THR669J, THR709A, THR709J, THR720A, THR720J, THR732A, THR732J, TYR667A, TYR667J, TYR727A, TYR735A, TYR735J, VAL555A, VAL572A, VAL572J, VAL710A, VAL710J, VAL715A, VAL715J, VAL716A, VAL716J, VAL755A, VAL755J
• B-C: ALA542B, ALA542C, ALA664B, ALA664C, ALA666B, ALA666C, ALA714B, ALA714C, ALA721B, ALA721C, ALA734B, ALA734C, ALA753B, ARG557B, ARG557C, ARG608B, ARG608C, ARG660B, ARG660C, ARG690B, ARG690C, ARG699B, ARG699C, ARG700B, ARG700C, ARG724B, ARG724C, ARG738B, ARG738C, ARG741B, ARG741C, ARG744B, ARG744C, ASN657B, ASN657C, ASN688B, ASN688C, ASN748B, ASN748C, ASP573B, ASP573C, ASP672B, ASP696B, ASP696C, ASP712B, ASP712C, ASP731B, ASP731C, ASP737B, ASP737C, ASP750B, ASP750C, CYS645C, GLN638C, GLN665B, GLN665C, GLN668B, GLN668C, GLU548B, GLU548C, GLU550B, GLU550C, GLU556B, GLU556C, GLU570B, GLU570C, GLU574B, GLU574C, GLU600B, GLU600C, GLU642B, GLU642C, GLU719B, GLU719C, GLU740B, GLU740C, GLU756B, GLU756C, GLU757B, GLU757C, GLU758B, GLU758C, GLU760B, GLU760C, GLU761B, GLU761C, GLU762B, GLU762C, GLU764B, GLU764C, GLU765B, GLU765C, GLY543B, GLY543C, GLY670B, GLY670C, GLY726B, GLY726C, GLY736B, GLY736C, HIS691B, HIS691C, ILE611B, ILE611C, ILE661B, ILE661C, ILE694B, ILE694C, ILE739B, ILE739C, ILE749B, ILE749C, LEU568B, LEU568C, LEU640B, LEU640C, LEU693B, LEU693C, LEU713B, LEU713C, LEU717B, LEU717C, LEU723B, LEU723C, LEU728B, LEU728C, LEU729B, LEU729C, LEU743B, LEU743C, LEU745B, LEU745C, LEU747B, LEU747C, LYS547B, LYS547C, LYS560B, LYS560C, LYS561B, LYS561C, LYS603C, LYS663B, LYS663C, LYS695B, LYS695C, LYS733B, LYS733C, LYS754B, LYS754C, MET697B, MET697C, MET742B, MET742C, PHE598C, PHE718B, PHE718C, PRO553B, PRO553C, PRO571B, PRO571C, PRO644B, PRO644C, PRO689B, PRO689C, PRO692B, PRO692C, PRO730B, PRO730C, PRO751B, PRO751C, PRO759B, PRO759C, PRO763B, PRO763C, SER544B, SER544C, SER545B, SER545C, SER551B, SER551C, SER552B, SER552C, SER601C, SER607B, SER607C, SER637C, SER643B, SER643C, SER725B, SER725C, SER746B, SER746C, THR490C, THR569B, THR569C, THR604B, THR604C, THR641B, THR641C, THR669B, THR669C, THR709B, THR709C, THR720B, THR720C, THR732B, THR732C, TYR575C, TYR667B, TYR667C, TYR735B, TYR735C, VAL572B, VAL572C, VAL715C, VAL716B, VAL716C, VAL755B, VAL755C
• B-H: GLU756B, TYR652H
• B-J: ALA579J, ARG503J, ARG699B, ARG700B, ASP499J, ASP696B, ASP704B, ASP706B, ASP707B, GLN578J, GLU498J, GLU703B, GLU705B, HIS500J, ILE497J, LYS458J, LYS695B, LYS702B, PRO581J, PRO692B, SER501J, TYR677J, TYR678J
• C-D: ALA357D, ARG345D, ASP704C, GLU351D, GLU354D, GLU616C, GLU703C, GLU705C, LYS360D, LYS364D, LYS613C, LYS702C, PRO617C, SER361D, SER366D, VAL701C
• C-J: ALA679J, ALA753C, ARG744C, ASN676J, ASN748C, ASP672J, ASP750C, ASP752C, GLN651J, GLN681J, GLU602J, GLU632J, GLU703C, GLU757C, GLU758C, GLU760C, GLU761C, GLU764C, GLY653J, ILE673J, ILE749C, LEU745C, LEU747C, LYS682J, LYS754C, PRO581J, PRO751C, PRO759C, PRO763C, SER650J, SER674J, SER680J, SER746C, THR675J, TRP654J, TYR652J, TYR677J, TYR678J
• D-E: ALA542D, ALA542E, ALA664D, ALA664E, ALA666D, ALA714D, ALA714E, ALA721D, ALA721E, ALA734D, ALA734E, ALA753D, ALA753E, ARG546D, ARG546E, ARG557D, ARG557E, ARG608D, ARG608E, ARG660D, ARG660E, ARG690D, ARG690E, ARG699D, ARG699E, ARG700D, ARG700E, ARG724D, ARG724E, ARG738D, ARG738E, ARG741D, ARG741E, ARG744D, ARG744E, ASN657D, ASN657E, ASN688D, ASN688E, ASN748D, ASN748E, ASP573D, ASP573E, ASP672D, ASP696D, ASP696E, ASP712D, ASP712E, ASP731D, ASP731E, ASP737D, ASP737E, ASP750D, ASP750E, ASP752D, CYS645D, CYS645E, GLN638E, GLN665D, GLN665E, GLN668D, GLN668E, GLU548D, GLU548E, GLU550D, GLU550E, GLU556D, GLU556E, GLU570D, GLU570E, GLU574E, GLU600D, GLU600E, GLU642D, GLU642E, GLU719D, GLU719E, GLU740D, GLU740E, GLU756D, GLU756E, GLU757D, GLU757E, GLU758D, GLU758E, GLU760D, GLU760E, GLU761D, GLU761E, GLU762D, GLU762E, GLU764D, GLU764E, GLU765D, GLU765E, GLY543D, GLY543E, GLY670D, GLY726D, GLY726E, GLY736D, GLY736E, HIS691D, HIS691E, ILE611D, ILE611E, ILE661D, ILE661E, ILE694D, ILE694E, ILE739D, ILE739E, ILE749D, ILE749E, LEU568D, LEU568E, LEU640D, LEU640E, LEU693D, LEU693E, LEU713D, LEU713E, LEU717D, LEU717E, LEU723D, LEU723E, LEU728D, LEU728E, LEU729D, LEU729E, LEU743D, LEU743E, LEU745D, LEU745E, LEU747D, LEU747E, LYS547D, LYS547E, LYS560D, LYS560E, LYS561D, LYS561E, LYS603E, LYS605E, LYS663D, LYS663E, LYS671D, LYS695D, LYS695E, LYS733D, LYS733E, LYS754D, LYS754E, MET697D, MET697E, MET742D, MET742E, PHE615E, PHE718D, PHE718E, PRO553D, PRO553E, PRO571D, PRO571E, PRO644D, PRO644E, PRO689D, PRO689E, PRO692D, PRO692E, PRO730D, PRO730E, PRO751D, PRO751E, PRO759D, PRO759E, PRO763D, PRO763E, SER544D, SER544E, SER545D, SER545E, SER551D, SER551E, SER552D, SER552E, SER601E, SER607D, SER607E, SER637E, SER643D, SER643E, SER725D, SER725E, SER746D, SER746E, THR490D, THR490E, THR569D, THR569E, THR604D, THR604E, THR641D, THR641E, THR669D, THR669E, THR709D, THR709E, THR720D, THR720E, THR722E, THR732D, THR732E, TYR667D, TYR667E, TYR727E, TYR735D, TYR735E, VAL572D, VAL572E, VAL636E, VAL710D, VAL710E, VAL715D, VAL715E, VAL716D, VAL716E, VAL755D, VAL755E
• D-J: ALA610J, ASP367D, ASP368D, GLU365D, GLU602J, GLU606J, GLU609J, LYS603J, LYS605J, PRO394D, SER366D, SER392D, THR391D
• E-F: ALA377E, ALA377F, ALA476E, ALA476F, ARG466E, ARG466F, ARG505E, ARG505F, ARG530E, ARG530F, ASN502E, ASN502F, ASP470E, ASP470F, ASP477E, ASP477F, ASP525E, ASP525F, ASP584E, ASP584F, GLN526E, GLN526F, GLU378E, GLU378F, GLU380E, GLU380F, GLU478E, GLU478F, GLU529E, GLU529F, GLU533E, GLU533F, GLU564E, GLU564F, GLY379E, GLY379F, GLY562E, GLY562F, GLY585E, HIS516E, HIS516F, LEU456E, LEU456F, LYS348E, LYS348F, LYS455E, LYS455F, LYS458E, LYS458F, LYS462E, LYS462F, LYS463E, LYS463F, LYS467E, LYS467F, LYS473E, LYS473F, LYS474E, LYS474F, LYS508E, LYS508F, LYS532E, LYS532F, LYS534E, LYS534F, LYS586E, LYS586F, MET531E, MET531F, PHE375E, PHE375F, PHE583E, PHE583F, SER501E, SER501F, THR376E, THR376F, THR504E, THR504F, TYR527E, TYR527F, VAL381E, VAL381F, VAL459E, VAL459F, VAL528E, VAL528F
• E-J: ALA579E, ARG461E, ARG503E, ARG699J, ARG700J, ASN502E, ASP499E, ASP704J, ASP706J, ASP707J, GLU498E, GLU703J, GLU705J, HIS500E, ILE497E, LYS458E, LYS462E, LYS702J, PRO581E, PRO692J, SER501E, TRP621J, TYR678E, VAL459E, VAL701J
• F-G: ALA664F, ALA664G, ALA714F, ALA714G, ALA721F, ALA721G, ALA734F, ALA734G, ALA753F, ALA753G, ARG546G, ARG557F, ARG557G, ARG608F, ARG608G, ARG639G, ARG660F, ARG660G, ARG690F, ARG690G, ARG699F, ARG699G, ARG700F, ARG700G, ARG724F, ARG724G, ARG738F, ARG738G, ARG741F, ARG741G, ARG744F, ARG744G, ASN657F, ASN657G, ASN688F, ASN688G, ASN748F, ASN748G, ASP573F, ASP573G, ASP696F, ASP696G, ASP712F, ASP712G, ASP731F, ASP731G, ASP737F, ASP737G, ASP750F, ASP750G, ASP752F, ASP752G, CYS645F, CYS645G, GLN638F, GLN638G, GLN668F, GLN668G, GLU548F, GLU548G, GLU550F, GLU550G, GLU556F, GLU556G, GLU570F, GLU570G, GLU600F, GLU600G, GLU642F, GLU642G, GLU719F, GLU719G, GLU740F, GLU740G, GLU756F, GLU756G, GLU757F, GLU757G, GLU758F, GLU758G, GLU760F, GLU760G, GLU761F, GLU761G, GLU762F, GLU762G, GLU764F, GLU764G, GLU765F, GLU765G, GLY543F, GLY543G, GLY726F, GLY726G, GLY736F, GLY736G, HIS691F, HIS691G, ILE611F, ILE611G, ILE661F, ILE661G, ILE694F, ILE694G, ILE739F, ILE739G, ILE749F, ILE749G, LEU568F, LEU568G, LEU640F, LEU640G, LEU693F, LEU693G, LEU713F, LEU713G, LEU717F, LEU717G, LEU723F, LEU723G, LEU728F, LEU728G, LEU729F, LEU729G, LEU743F, LEU743G, LEU745F, LEU745G, LEU747F, LEU747G, LYS547F, LYS547G, LYS560F, LYS560G, LYS561F, LYS561G, LYS603F, LYS603G, LYS605G, LYS663F, LYS663G, LYS695F, LYS695G, LYS733F, LYS733G, LYS754F, LYS754G, MET697F, MET697G, MET742F, MET742G, PHE598F, PHE598G, PHE615G, PHE718F, PHE718G, PRO553F, PRO553G, PRO571F, PRO571G, PRO644F, PRO644G, PRO689F, PRO689G, PRO692F, PRO692G, PRO730F, PRO730G, PRO751F, PRO751G, PRO759F, PRO759G, PRO763F, PRO763G, SER544F, SER544G, SER545F, SER545G, SER551F, SER551G, SER552F, SER552G, SER601F, SER601G, SER607F, SER607G, SER637F, SER637G, SER643F, SER643G, SER725F, SER725G, SER746F, SER746G, THR569F, THR569G, THR604F, THR604G, THR641F, THR641G, THR669F, THR669G, THR709F, THR709G, THR720F, THR720G, THR732F, THR732G, TYR667F, TYR667G, TYR735F, TYR735G, VAL572F, VAL572G, VAL636G, VAL710F, VAL710G, VAL715F, VAL715G, VAL716F, VAL716G, VAL755F, VAL755G
• F-J: ALA579F, ALA753J, ARG503F, ARG587F, ASN676F, ASP536F, ASP599F, ASP629J, ASP704J, ASP706J, ASP707J, ASP750J, ASP752J, GLN578F, GLN651F, GLU533F, GLU582F, GLU600F, GLU602F, GLU705J, GLU756J, GLU757J, GLU760J, GLU761J, GLU762J, GLU764J, GLY585F, GLY653F, LEU580F, LYS534F, LYS537F, LYS586F, LYS597F, LYS625J, LYS628J, LYS708J, LYS754J, PHE588F, PRO581F, PRO751J, PRO759J, PRO763J, SER601F, SER650F, TYR652F, TYR677F, TYR678F, VAL755J
• H-I: ALA664H, ALA664I, ALA714H, ALA714I, ALA721H, ALA721I, ALA734H, ALA734I, ALA753H, ALA753I, ARG546H, ARG546I, ARG557H, ARG557I, ARG608H, ARG608I, ARG660H, ARG660I, ARG690H, ARG690I, ARG699H, ARG699I, ARG700H, ARG700I, ARG724H, ARG724I, ARG738H, ARG738I, ARG741H, ARG741I, ARG744H, ARG744I, ASN657H, ASN657I, ASN688H, ASN688I, ASN748H, ASN748I, ASP573H, ASP696H, ASP696I, ASP712H, ASP712I, ASP731H, ASP731I, ASP737H, ASP737I, ASP750H, ASP750I, ASP752H, ASP752I, CYS645H, CYS645I, GLN638H, GLN638I, GLN668H, GLN668I, GLU548H, GLU548I, GLU550H, GLU556H, GLU556I, GLU570H, GLU570I, GLU600H, GLU600I, GLU642H, GLU642I, GLU719H, GLU719I, GLU740H, GLU740I, GLU756H, GLU756I, GLU757H, GLU757I, GLU758H, GLU758I, GLU760H, GLU760I, GLU761H, GLU761I, GLU762H, GLU762I, GLU764H, GLU764I, GLU765H, GLU765I, GLY543H, GLY543I, GLY726H, GLY726I, GLY736H, GLY736I, HIS691H, HIS691I, ILE611H, ILE611I, ILE661H, ILE661I, ILE694H, ILE694I, ILE739H, ILE739I, ILE749H, ILE749I, LEU568H, LEU568I, LEU640H, LEU640I, LEU693H, LEU693I, LEU713H, LEU713I, LEU717H, LEU717I, LEU723H, LEU723I, LEU728H, LEU728I, LEU729H, LEU729I, LEU743H, LEU743I, LEU745H, LEU745I, LEU747H, LEU747I, LYS547H, LYS547I, LYS560H, LYS560I, LYS561H, LYS561I, LYS603H, LYS663H, LYS663I, LYS695H, LYS695I, LYS733H, LYS733I, LYS754H, LYS754I, MET697H, MET697I, MET742H, MET742I, PHE598H, PHE718H, PHE718I, PRO553H, PRO553I, PRO571H, PRO571I, PRO644H, PRO644I, PRO689H, PRO689I, PRO692H, PRO692I, PRO730H, PRO730I, PRO751H, PRO751I, PRO759H, PRO759I, PRO763H, PRO763I, SER544H, SER544I, SER545H, SER545I, SER551H, SER551I, SER552H, SER552I, SER601H, SER601I, SER607H, SER607I, SER637H, SER637I, SER643H, SER643I, SER725I, SER746H, SER746I, THR569H, THR569I, THR604H, THR604I, THR641H, THR641I, THR669H, THR669I, THR709H, THR709I, THR720H, THR720I, THR732H, THR732I, TYR667H, TYR667I, TYR735H, TYR735I, VAL572H, VAL710H, VAL710I, VAL715H, VAL715I, VAL716H, VAL716I, VAL755H, VAL755I
• H-J: ALA377H, ALA377J, ALA476H, ALA476J, ARG466H, ARG466J, ARG505H, ARG505J, ARG530H, ARG530J, ASN502H, ASP470H, ASP470J, ASP477H, ASP477J, ASP520H, ASP520J, ASP525H, ASP525J, ASP584H, ASP584J, GLN526H, GLN526J, GLN535J, GLU378H, GLU378J, GLU380H, GLU380J, GLU478H, GLU478J, GLU529H, GLU529J, GLU533H, GLU533J, GLU564H, GLU564J, GLY379H, GLY379J, GLY562H, GLY562J, HIS516H, HIS516J, HIS517J, ILE373H, LEU456H, LEU456J, LYS348H, LYS348J, LYS455H, LYS458H, LYS462H, LYS462J, LYS463H, LYS463J, LYS467H, LYS467J, LYS473H, LYS473J, LYS474H, LYS474J, LYS508H, LYS508J, LYS532H, LYS532J, LYS534H, LYS534J, LYS586J, MET531H, MET531J, PHE375H, PHE375J, PHE583H, PHE583J, SER501H, SER501J, THR376H, THR376J, THR504H, THR504J, TYR527J, TYR563J, VAL381H, VAL381J, VAL459H, VAL459J, VAL528H, VAL528J