3PCF

structure of protocatechuate 3,4-dioxygenase complexed with 3-fluro-4- hydroxybenzoate

• Total interactions analyzed: 66
• Total true interactions: 35
• Strongest Interaction:
  • Chains: F-R
  • Int. Res.: 273
  • Norm. En. per Res.: -5.2643
• Hub Node: M(7)

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-M	-224.8408	-74.3514	-1084.82	-1384.0122	272	58	25	42254	15	63	58
A-B	-5.8936	1.9318	-25.2734	-29.2352	17	1	0	909	4	7	6
A-N	-14.6747	0.0	-4.6479	-19.3226	7	1	0	152	0	2	1
A-C	-8.1406	1.2099	-28.6164	-35.5471	20	3	0	942	2	7	6
A-O	0.0	-4.882	-20.1708	-25.0528	26	1	0	902	0	7	4
M-B	0.0	-5.052	-18.0059	-23.0579	29	0	0	879	0	7	4
M-N	-17.7598	-11.2716	-61.4237	-90.455	41	4	1	2938	1	8	10
M-C	-10.7941	0.0	-4.8593	-15.6534	7	1	0	142	0	2	1
M-O	-23.4929	-12.6557	-69.5561	-105.7046	41	7	1	2947	1	8	10
M-P	-32.3915	3.8076	-408.644	-437.2279	140	27	4	16618	0	26	26
M-E	-16.3745	2.6071	-61.6386	-75.406	24	5	1	2119	0	2	3
M-Q	-24.3985	4.8944	-83.9454	-103.4495	49	5	1	3273	0	17	14
B-N	-237.8047	-63.9413	-1066.71	-1368.456	274	60	25	42402	15	62	59
B-C	-7.1158	-1.0785	-26.9673	-35.1616	18	2	0	937	4	7	6
B-O	-13.4088	0.0	-5.9239	-19.3328	8	2	0	171	0	2	1
B-P	-14.7184	4.3893	-62.2784	-72.6074	22	3	1	2080	0	2	3
N-C	0.0	-5.0097	-20.5303	-25.54	27	1	0	917	0	7	4
N-O	-19.6865	-9.3934	-68.5155	-97.5954	44	6	1	2981	1	8	10
N-P	-15.3789	6.3841	-88.6628	-97.6576	48	5	1	3261	0	17	13
C-O	-236.2523	-67.5433	-1092.15	-1395.9455	274	59	26	42487	14	60	60
D-P	-236.2279	-66.9536	-1110.42	-1413.6015	273	61	25	42545	15	62	59
D-E	-5.4374	1.9037	-29.397	-32.9307	17	1	0	891	3	7	6
D-Q	-16.4999	0.0	-4.1367	-20.6365	8	2	0	154	0	2	1
D-F	-9.8884	-1.1778	-23.6942	-34.7604	19	3	0	913	3	7	7
D-R	0.0	-4.5833	-21.5946	-26.1779	29	2	0	930	0	7	4
P-E	0.0	-4.7847	-19.873	-24.6577	28	1	0	905	0	7	4
P-Q	-16.9072	0.0	-66.6889	-83.5961	42	5	1	2954	1	8	10
P-F	-8.5635	0.0	-6.1336	-14.6971	7	0	0	139	0	2	1
P-R	-31.4368	-13.4627	-67.8899	-112.7894	43	6	1	2953	1	8	10
E-Q	-239.2887	-70.8692	-1073.85	-1384.0079	274	67	25	42273	16	62	58
E-F	-2.2948	0.7431	-24.7504	-26.302	18	2	0	904	2	7	6
E-R	-12.2371	0.0	-5.87	-18.1071	7	0	0	136	0	2	1
Q-F	0.0	-6.1067	-21.4414	-27.5481	26	1	0	934	0	7	4
Q-R	-25.4531	-11.5682	-65.5853	-102.6066	42	6	1	2968	1	8	10
F-R	-246.9644	-128.603	-1061.59	-1437.1574	273	66	25	42398	15	62	59

Interface residues

• A-M: ALA117A, ALA118A, ALA132A, ALA13A, ALA22A, ALA25A, ALA26A, ALA302M, ALA319M, ALA329M, ALA335M, ALA358M, ALA402M, ALA471M, ALA496M, ALA500M, ALA73A, ALA82A, ARG133A, ARG142A, ARG166A, ARG167A, ARG188A, ARG307M, ARG311M, ARG313M, ARG31A, ARG330M, ARG333M, ARG407M, ARG409M, ARG414M, ARG428M, ARG450M, ARG457M, ARG528M, ARG531M, ARG64A, ARG94A, ASN115A, ASN116A, ASN127A, ASN136A, ASN159A, ASN28A, ASN350M, ASN366M, ASN403M, ASN412M, ASN497M, ASN59A, ASN76A, ASN84A, ASN87A, ASN90A, ASP100A, ASP199A, ASP304M, ASP312M, ASP32A, ASP360M, ASP386M, ASP413M, ASP524M, ASP57A, ASP65A, ASP74A, ASP81A, CYS429M, CYS489M, GLN11A, GLN163A, GLN190A, GLN303M, GLN334M, GLN33A, GLN341M, GLN387M, GLN401M, GLN477M, GLN502M, GLN503M, GLN530M, GLN72A, GLN80A, GLU162A, GLU192A, GLU194A, GLU24A, GLU345M, GLU34A, GLU398M, GLU3A, GLU499M, GLU536M, GLU69A, GLU78A, GLU7A, GLU86A, GLY119A, GLY134A, GLY14A, GLY191A, GLY193A, GLY20A, GLY27A, GLY348M, GLY355M, GLY357M, GLY389M, GLY406M, GLY424M, GLY425M, GLY427M, GLY464M, GLY529M, GLY58A, GLY60A, GLY77A, GLY93A, HIS125A, HIS138A, HIS140A, HIS18A, HIS316M, HIS353M, HIS359M, HIS361M, HIS410M, HIS460M, HIS462M, HIS61A, ILE126A, ILE128A, ILE135A, ILE137A, ILE161A, ILE189A, ILE19A, ILE2A, ILE310M, ILE328M, ILE339M, ILE343M, ILE35A, ILE461M, ILE465M, ILE470M, ILE475M, ILE491M, ILE495M, ILE505M, ILE525M, LEU130A, LEU139A, LEU158A, LEU160A, LEU170A, LEU21A, LEU23A, LEU320M, LEU336M, LEU354M, LEU363M, LEU396M, LEU474M, LEU478M, LEU4A, LEU504M, LEU527M, LEU5A, LEU62A, LEU85A, LYS318M, LYS325M, LYS390M, LYS411M, LYS473M, LYS493M, MET122A, MET399M, PHE131A, PHE197A, PHE198A, PHE200A, PHE308M, PHE351M, PHE356M, PHE367M, PHE423M, PHE439M, PHE463M, PHE523M, PHE67A, PHE92A, PHE99A, PRO156A, PRO15A, PRO29A, PRO301M, PRO317M, PRO322M, PRO332M, PRO340M, PRO349M, PRO448M, PRO458M, PRO468M, PRO490M, PRO498M, PRO6A, PRO9A, SER10A, SER129A, SER327M, SER331M, SER338M, SER342M, SER344M, SER352M, SER466M, SER469M, SER494M, SER66A, SER91A, THR12A, THR141A, THR169A, THR195A, THR30A, THR321M, THR326M, THR346M, THR347M, THR472M, THR476M, THR533M, THR8A, THR97A, THR98A, TRP315M, TRP400M, TRP449M, TRP71A, TYR144A, TYR16A, TYR324M, TYR388M, TYR408M, TYR415M, TYR447M, TYR479M, TYR56A, TYR79A, TYR83A, VAL114A, VAL120A, VAL157A, VAL17A, VAL196A, VAL309M, VAL337M, VAL384M, VAL385M, VAL397M, VAL426M, VAL492M, VAL501M, VAL526M, VAL55A, VAL63A, VAL70A
• A-B: ARG133A, ARG166B, ARG64A, ASN59A, ASP57A, ASP65A, GLN163B, GLN165B, GLU162B, GLU192B, GLU194B, GLY191B, GLY60A, HIS61A, LEU62A, PRO164B, VAL63A
• A-N: ALA335N, ARG333N, ASN59A, GLN190A, GLN334N, GLY58A, HIS61A
• A-C: ARG133C, ARG166A, ARG167A, ARG64C, ASN59C, ASP57C, ASP65C, GLN163A, GLN165A, GLU162A, GLU192A, GLU194A, GLY191A, GLY193A, GLY60C, HIS61C, ILE161A, LEU62C, PRO164A, VAL63C
• A-O: ALA329O, ARG166A, ARG330O, ARG450O, ASN451O, ASN454O, ASP199A, GLN163A, GLU162A, GLU3A, GLY452O, ILE2A, LEU160A, LEU485O, LYS325O, MET488O, PHE197A, PHE198A, PHE200A, PRO156A, PRO1A, PRO453O, PRO484O, PRO487O, THR326O, VAL157A
• M-B: ALA329M, ARG166B, ARG330M, ARG450M, ASN116B, ASN451M, ASN454M, ASP199B, GLN163B, GLU162B, GLU194B, GLU3B, GLY452M, ILE2B, ILE328M, LEU160B, LEU485M, LYS325M, MET488M, PHE197B, PHE198B, PHE200B, PRO156B, PRO1B, PRO453M, PRO484M, PRO487M, THR326M, VAL157B
• M-N: ALA329M, ALA335N, ARG311N, ARG313N, ARG333M, ARG333N, ARG450M, ARG528N, ARG531N, ASN314N, ASN451M, ASN454M, ASP312N, ASP323M, ASP455M, GLN334N, GLN341N, GLY452M, ILE310N, ILE328M, ILE339N, LEU320M, LEU320N, LEU336N, LYS318N, LYS325M, LYS493M, MET488M, PHE308N, PRO322M, PRO332N, PRO340N, PRO453M, PRO490M, SER327M, SER338N, THR326M, TRP449M, TYR324M, VAL309N, VAL337N
• M-C: ALA335M, ARG333M, ASN59C, GLN190C, GLN334M, GLY58C, HIS61C
• M-O: ALA329O, ALA335M, ARG311M, ARG313M, ARG333M, ARG333O, ARG450O, ARG528M, ARG531M, ASN314M, ASN451O, ASN454O, ASP312M, ASP323O, ASP455O, GLN334M, GLN341M, GLY452O, ILE310M, ILE328O, ILE339M, LEU320M, LEU320O, LEU336M, LYS318M, LYS325O, LYS493O, MET488O, PHE308M, PRO322O, PRO332M, PRO340M, PRO453O, PRO490O, SER327O, SER338M, THR326O, TRP449O, TYR324O, VAL309M, VAL337M
• M-P: ALA404M, ALA404P, ALA417M, ALA417P, ALA459M, ALA459P, ALA506M, ALA506P, ALA513M, ALA513P, ALA520M, ALA520P, ARG377M, ARG377P, ARG407M, ARG407P, ARG409M, ARG409P, ARG414M, ARG414P, ARG440M, ARG440P, ARG450M, ARG450P, ARG457M, ARG457P, ASN403M, ASN403P, ASN422M, ASN422P, ASN451M, ASN451P, ASN454M, ASN454P, ASN511M, ASN511P, ASN512M, ASN512P, ASN514M, ASN514P, ASP413M, ASP413P, ASP420M, ASP420P, ASP455M, ASP455P, ASP483M, ASP483P, ASP509M, ASP509P, ASP517M, ASP517P, CYS518M, CYS518P, GLU376M, GLU376P, GLU481M, GLU481P, GLY371M, GLY371P, GLY375M, GLY375P, GLY405M, GLY405P, GLY406M, GLY406P, GLY445M, GLY445P, GLY452M, GLY452P, GLY482M, GLY482P, ILE374M, ILE374P, ILE378M, ILE378P, ILE442M, ILE442P, ILE486M, ILE486P, LEU364M, LEU364P, LEU372M, LEU372P, LEU416M, LEU416P, LEU419M, LEU419P, LEU485M, LEU485P, LEU508M, LEU508P, LEU519M, LEU519P, LYS443M, LYS443P, LYS507M, LYS507P, MET488M, MET488P, MET510M, MET510P, MET516M, MET516P, PHE423M, PHE423P, PHE480M, PHE480P, PRO373M, PRO373P, PRO418M, PRO418P, PRO421M, PRO421P, PRO444M, PRO444P, PRO446M, PRO446P, PRO448M, PRO448P, PRO453M, PRO453P, PRO458M, PRO458P, PRO484M, PRO484P, PRO487M, PRO487P, PRO515M, PRO515P, TRP449M, TRP449P, TRP456M, TRP456P, TYR415M, TYR415P, TYR447M, TYR447P, TYR521M, TYR521P
• M-E: ALA381M, ALA506M, ALA520M, ARG522M, ASN511M, ASN512M, ASP509M, ASP524M, GLU3E, GLU481M, ILE2E, ILE505M, LEU160E, LEU4E, LEU508M, LEU5E, LYS507M, MET510M, MET516M, PHE200E, PHE523M, PRO1E, PRO515M, TYR521M
• M-Q: ALA358M, ALA381M, ALA513M, ALA520M, ARG307Q, ARG377M, ARG440M, ARG522M, ARG531Q, ASN511M, ASN512M, ASN514M, ASP362M, ASP509M, ASP517M, CYS429M, CYS518M, GLN341Q, GLN387Q, GLU536Q, GLY529Q, HIS359M, HIS361M, HIS534Q, ILE310Q, ILE339Q, ILE378M, ILE379M, LEU363M, LEU364M, LEU365M, LEU519M, LYS532Q, MET510M, MET516M, PHE308Q, PHE439M, PHE535Q, PRO340Q, PRO515M, SER338Q, SER438M, THR441M, THR533Q, TYR388Q, TYR436M, TYR437M, VAL309Q, VAL380M
• B-N: ALA117B, ALA118B, ALA123B, ALA132B, ALA13B, ALA22B, ALA25B, ALA26B, ALA302N, ALA319N, ALA329N, ALA335N, ALA402N, ALA471N, ALA496N, ALA500N, ALA73B, ALA82B, ARG133B, ARG142B, ARG166B, ARG167B, ARG188B, ARG307N, ARG311N, ARG313N, ARG31B, ARG330N, ARG333N, ARG383N, ARG407N, ARG409N, ARG414N, ARG428N, ARG450N, ARG457N, ARG528N, ARG531N, ARG64B, ARG94B, ASN115B, ASN116B, ASN127B, ASN136B, ASN159B, ASN28B, ASN350N, ASN366N, ASN403N, ASN412N, ASN497N, ASN59B, ASN76B, ASN84B, ASN87B, ASN90B, ASP100B, ASP199B, ASP304N, ASP312N, ASP32B, ASP360N, ASP386N, ASP413N, ASP524N, ASP57B, ASP65B, ASP74B, ASP81B, CYS429N, CYS489N, GLN11B, GLN163B, GLN190B, GLN303N, GLN334N, GLN33B, GLN341N, GLN387N, GLN401N, GLN477N, GLN502N, GLN503N, GLN530N, GLN72B, GLN80B, GLU162B, GLU192B, GLU194B, GLU24B, GLU345N, GLU34B, GLU398N, GLU3B, GLU499N, GLU536N, GLU69B, GLU78B, GLU7B, GLU86B, GLY119B, GLY134B, GLY14B, GLY191B, GLY193B, GLY20B, GLY27B, GLY348N, GLY355N, GLY357N, GLY389N, GLY406N, GLY424N, GLY425N, GLY427N, GLY464N, GLY529N, GLY58B, GLY60B, GLY77B, GLY93B, HIS125B, HIS138B, HIS140B, HIS18B, HIS316N, HIS353N, HIS359N, HIS361N, HIS410N, HIS460N, HIS462N, HIS61B, ILE126B, ILE128B, ILE135B, ILE137B, ILE161B, ILE189B, ILE19B, ILE2B, ILE310N, ILE328N, ILE339N, ILE343N, ILE35B, ILE461N, ILE465N, ILE470N, ILE475N, ILE491N, ILE495N, ILE505N, ILE525N, LEU130B, LEU139B, LEU158B, LEU160B, LEU170B, LEU21B, LEU23B, LEU320N, LEU336N, LEU354N, LEU363N, LEU396N, LEU419N, LEU474N, LEU478N, LEU4B, LEU504N, LEU527N, LEU5B, LEU62B, LEU85B, LYS318N, LYS325N, LYS390N, LYS411N, LYS473N, LYS493N, MET122B, MET399N, PHE131B, PHE197B, PHE198B, PHE200B, PHE308N, PHE351N, PHE356N, PHE367N, PHE423N, PHE439N, PHE463N, PHE523N, PHE67B, PHE92B, PHE99B, PRO156B, PRO15B, PRO29B, PRO301N, PRO317N, PRO322N, PRO332N, PRO340N, PRO349N, PRO448N, PRO458N, PRO468N, PRO490N, PRO6B, PRO9B, SER10B, SER129B, SER327N, SER331N, SER338N, SER342N, SER344N, SER352N, SER466N, SER469N, SER494N, SER66B, SER91B, THR12B, THR141B, THR169B, THR195B, THR30B, THR321N, THR326N, THR346N, THR347N, THR472N, THR476N, THR533N, THR8B, THR98B, TRP315N, TRP36B, TRP400N, TRP449N, TRP71B, TYR144B, TYR16B, TYR324N, TYR388N, TYR408N, TYR415N, TYR447N, TYR479N, TYR56B, TYR79B, TYR83B, VAL113B, VAL114B, VAL120B, VAL157B, VAL17B, VAL196B, VAL309N, VAL337N, VAL384N, VAL385N, VAL397N, VAL426N, VAL492N, VAL501N, VAL526N, VAL55B, VAL63B, VAL70B
• B-C: ARG133B, ARG166C, ARG64B, ASN59B, ASP57B, ASP65B, GLN163C, GLN165C, GLU162C, GLU192C, GLU194C, GLY191C, GLY193C, GLY60B, HIS61B, LEU62B, PRO164C, VAL63B
• B-O: ALA335O, ARG333O, ASN59B, GLN190B, GLN334O, GLY58B, GLY60B, HIS61B
• B-P: ALA381P, ALA506P, ALA520P, ARG522P, ASN511P, ASN512P, ASP509P, ASP524P, GLU3B, GLU481P, ILE2B, ILE505P, LEU160B, LEU4B, LEU508P, LEU5B, LYS507P, MET510P, MET516P, PHE523P, PRO1B, TYR521P
• N-C: ALA329N, ARG166C, ARG330N, ARG450N, ASN451N, ASN454N, ASP199C, GLN163C, GLU162C, GLU3C, GLY452N, ILE161C, ILE2C, LEU160C, LEU485N, LYS325N, MET488N, PHE197C, PHE198C, PHE200C, PRO156C, PRO1C, PRO453N, PRO484N, PRO487N, THR326N, VAL157C
• N-O: ALA329N, ALA335O, ARG311O, ARG313O, ARG333N, ARG333O, ARG450N, ARG528O, ARG531O, ASN314O, ASN451N, ASN454N, ASP312O, ASP323N, ASP455N, GLN334O, GLN341O, GLU536O, GLY452N, ILE310O, ILE328N, ILE339O, LEU320N, LEU320O, LEU336O, LEU416N, LYS318O, LYS325N, LYS493N, MET488N, PHE308O, PHE535O, PRO322N, PRO332O, PRO340O, PRO453N, PRO490N, SER327N, SER338O, THR326N, TRP449N, TYR324N, VAL309O, VAL337O
• N-P: ALA358P, ALA381P, ALA513P, ALA520P, ARG307N, ARG377P, ARG440P, ARG522P, ARG531N, ASN511P, ASN512P, ASN514P, ASP362P, ASP509P, ASP517P, CYS429P, CYS518P, GLN341N, GLN387N, GLU536N, GLY529N, HIS359P, HIS361P, HIS534N, ILE310N, ILE339N, ILE379P, LEU363P, LEU364P, LEU365P, LEU519P, LYS532N, MET510P, MET516P, PHE308N, PHE439P, PHE535N, PRO340N, PRO515P, SER338N, SER438P, THR441P, THR533N, TYR388N, TYR436P, TYR437P, VAL309N, VAL380P
• C-O: ALA117C, ALA118C, ALA123C, ALA132C, ALA13C, ALA22C, ALA25C, ALA26C, ALA302O, ALA319O, ALA329O, ALA335O, ALA358O, ALA402O, ALA471O, ALA496O, ALA500O, ALA73C, ALA82C, ARG133C, ARG142C, ARG166C, ARG167C, ARG188C, ARG307O, ARG311O, ARG313O, ARG31C, ARG330O, ARG333O, ARG407O, ARG409O, ARG414O, ARG428O, ARG450O, ARG457O, ARG528O, ARG531O, ARG64C, ARG94C, ASN115C, ASN116C, ASN127C, ASN136C, ASN159C, ASN28C, ASN350O, ASN366O, ASN403O, ASN412O, ASN497O, ASN59C, ASN76C, ASN84C, ASN87C, ASN90C, ASP100C, ASP199C, ASP304O, ASP312O, ASP32C, ASP360O, ASP386O, ASP413O, ASP524O, ASP57C, ASP65C, ASP74C, ASP81C, CYS429O, CYS489O, GLN11C, GLN163C, GLN190C, GLN303O, GLN334O, GLN33C, GLN341O, GLN387O, GLN401O, GLN477O, GLN502O, GLN503O, GLN530O, GLN72C, GLN80C, GLU162C, GLU192C, GLU194C, GLU24C, GLU345O, GLU34C, GLU398O, GLU3C, GLU499O, GLU536O, GLU69C, GLU78C, GLU7C, GLU86C, GLY119C, GLY134C, GLY14C, GLY191C, GLY193C, GLY20C, GLY27C, GLY348O, GLY355O, GLY357O, GLY389O, GLY406O, GLY424O, GLY425O, GLY427O, GLY464O, GLY529O, GLY58C, GLY60C, GLY77C, GLY93C, HIS125C, HIS138C, HIS140C, HIS18C, HIS316O, HIS353O, HIS359O, HIS361O, HIS410O, HIS460O, HIS462O, HIS61C, ILE126C, ILE128C, ILE135C, ILE137C, ILE161C, ILE189C, ILE19C, ILE2C, ILE310O, ILE328O, ILE339O, ILE343O, ILE35C, ILE465O, ILE470O, ILE475O, ILE491O, ILE495O, ILE505O, ILE525O, LEU130C, LEU139C, LEU158C, LEU160C, LEU170C, LEU21C, LEU23C, LEU320O, LEU336O, LEU354O, LEU363O, LEU396O, LEU419O, LEU474O, LEU478O, LEU4C, LEU504O, LEU527O, LEU5C, LEU62C, LEU85C, LYS318O, LYS325O, LYS390O, LYS411O, LYS473O, LYS493O, MET122C, MET399O, PHE131C, PHE197C, PHE198C, PHE200C, PHE308O, PHE351O, PHE356O, PHE367O, PHE423O, PHE439O, PHE463O, PHE523O, PHE67C, PHE92C, PHE99C, PRO111C, PRO156C, PRO15C, PRO29C, PRO301O, PRO317O, PRO322O, PRO332O, PRO340O, PRO349O, PRO448O, PRO458O, PRO468O, PRO490O, PRO6C, PRO9C, SER10C, SER129C, SER327O, SER331O, SER338O, SER342O, SER344O, SER352O, SER466O, SER469O, SER494O, SER66C, SER91C, THR12C, THR141C, THR169C, THR195C, THR30C, THR321O, THR326O, THR346O, THR347O, THR472O, THR476O, THR533O, THR8C, THR97C, THR98C, TRP315O, TRP400O, TRP449O, TRP71C, TYR144C, TYR16C, TYR324O, TYR388O, TYR408O, TYR415O, TYR447O, TYR479O, TYR56C, TYR79C, TYR83C, VAL113C, VAL114C, VAL120C, VAL157C, VAL17C, VAL196C, VAL309O, VAL337O, VAL384O, VAL385O, VAL397O, VAL426O, VAL492O, VAL501O, VAL526O, VAL55C, VAL63C, VAL70C
• D-P: ALA117D, ALA118D, ALA132D, ALA13D, ALA22D, ALA25D, ALA26D, ALA302P, ALA319P, ALA329P, ALA335P, ALA358P, ALA402P, ALA471P, ALA496P, ALA500P, ALA73D, ALA82D, ARG133D, ARG142D, ARG166D, ARG188D, ARG307P, ARG311P, ARG313P, ARG31D, ARG330P, ARG333P, ARG407P, ARG409P, ARG414P, ARG428P, ARG450P, ARG457P, ARG528P, ARG531P, ARG64D, ARG94D, ASN115D, ASN116D, ASN127D, ASN136D, ASN159D, ASN28D, ASN350P, ASN366P, ASN403P, ASN412P, ASN497P, ASN59D, ASN76D, ASN84D, ASN87D, ASN90D, ASP100D, ASP199D, ASP304P, ASP312P, ASP32D, ASP360P, ASP386P, ASP413P, ASP524P, ASP57D, ASP65D, ASP74D, ASP81D, CYS429P, CYS489P, GLN11D, GLN163D, GLN190D, GLN303P, GLN334P, GLN33D, GLN341P, GLN387P, GLN401P, GLN477P, GLN502P, GLN503P, GLN530P, GLN72D, GLN80D, GLU162D, GLU192D, GLU194D, GLU24D, GLU345P, GLU34D, GLU398P, GLU3D, GLU499P, GLU536P, GLU69D, GLU78D, GLU7D, GLU86D, GLY119D, GLY134D, GLY14D, GLY191D, GLY193D, GLY20D, GLY27D, GLY348P, GLY355P, GLY357P, GLY389P, GLY406P, GLY424P, GLY425P, GLY427P, GLY464P, GLY529P, GLY58D, GLY60D, GLY77D, GLY93D, HIS125D, HIS138D, HIS140D, HIS18D, HIS316P, HIS353P, HIS359P, HIS361P, HIS410P, HIS460P, HIS462P, HIS61D, ILE126D, ILE128D, ILE135D, ILE137D, ILE161D, ILE189D, ILE19D, ILE2D, ILE310P, ILE328P, ILE339P, ILE343P, ILE35D, ILE461P, ILE465P, ILE470P, ILE475P, ILE491P, ILE495P, ILE505P, ILE525P, LEU130D, LEU139D, LEU158D, LEU160D, LEU170D, LEU21D, LEU23D, LEU320P, LEU336P, LEU354P, LEU363P, LEU396P, LEU419P, LEU474P, LEU478P, LEU4D, LEU504P, LEU527P, LEU5D, LEU62D, LEU85D, LYS318P, LYS325P, LYS390P, LYS411P, LYS473P, LYS493P, MET122D, MET399P, PHE131D, PHE197D, PHE198D, PHE200D, PHE308P, PHE351P, PHE356P, PHE367P, PHE423P, PHE439P, PHE463P, PHE523P, PHE67D, PHE92D, PHE99D, PRO156D, PRO15D, PRO29D, PRO301P, PRO317P, PRO322P, PRO332P, PRO340P, PRO349P, PRO448P, PRO458P, PRO468P, PRO490P, PRO6D, PRO9D, SER10D, SER129D, SER327P, SER331P, SER338P, SER342P, SER344P, SER352P, SER466P, SER469P, SER494P, SER66D, SER91D, THR12D, THR141D, THR169D, THR195D, THR30D, THR321P, THR326P, THR346P, THR347P, THR472P, THR476P, THR533P, THR8D, THR97D, THR98D, TRP315P, TRP36D, TRP400P, TRP449P, TRP71D, TYR144D, TYR16D, TYR324P, TYR388P, TYR408P, TYR415P, TYR447P, TYR479P, TYR56D, TYR79D, TYR83D, VAL113D, VAL114D, VAL120D, VAL157D, VAL17D, VAL196D, VAL309P, VAL337P, VAL384P, VAL385P, VAL397P, VAL426P, VAL492P, VAL501P, VAL526P, VAL55D, VAL63D, VAL70D
• D-E: ARG133D, ARG166E, ARG64D, ASN59D, ASP57D, ASP65D, GLN163E, GLN165E, GLU162E, GLU194E, GLY191E, GLY193E, GLY60D, HIS61D, LEU62D, PRO164E, VAL63D
• D-Q: ALA335Q, ARG333Q, ASN59D, ASP57D, GLN190D, GLN334Q, GLY58D, HIS61D
• D-F: ARG133F, ARG166D, ARG167D, ARG64F, ASN59F, ASP57F, ASP65F, GLN163D, GLN165D, GLU162D, GLU192D, GLU194D, GLY191D, GLY193D, GLY60F, HIS61F, LEU62F, PRO164D, VAL63F
• D-R: ALA329R, ARG166D, ARG330R, ARG450R, ASN451R, ASN454R, ASP199D, GLN163D, GLU162D, GLU194D, GLU3D, GLY452R, ILE161D, ILE2D, ILE328R, LEU160D, LEU485R, LYS325R, MET488R, PHE197D, PHE198D, PHE200D, PRO156D, PRO1D, PRO453R, PRO484R, PRO487R, THR326R, VAL157D
• P-E: ALA329P, ARG166E, ARG330P, ARG450P, ASN116E, ASN451P, ASN454P, ASP199E, ASP483P, GLN163E, GLU162E, GLU3E, GLY452P, ILE2E, LEU160E, LEU485P, LYS325P, MET488P, PHE197E, PHE198E, PHE200E, PRO156E, PRO1E, PRO453P, PRO484P, PRO487P, THR326P, VAL157E
• P-Q: ALA329P, ALA335Q, ARG311Q, ARG313Q, ARG333P, ARG333Q, ARG450P, ARG528Q, ARG531Q, ASN314Q, ASN451P, ASN454P, ASP312Q, ASP323P, ASP455P, GLN334Q, GLN341Q, GLY452P, ILE310Q, ILE328P, ILE339Q, LEU320P, LEU320Q, LEU336Q, LEU416P, LYS318Q, LYS325P, LYS493P, PHE308Q, PHE535Q, PRO322P, PRO332Q, PRO340Q, PRO453P, PRO490P, SER327P, SER338Q, THR326P, TRP449P, TYR324P, VAL309Q, VAL337Q
• P-F: ALA335P, ARG333P, ASN59F, GLN190F, GLN334P, GLY58F, HIS61F
• P-R: ALA329R, ALA335P, ARG311P, ARG313P, ARG333P, ARG333R, ARG450R, ARG528P, ARG531P, ASN314P, ASN451R, ASN454R, ASP312P, ASP323R, ASP455R, GLN334P, GLN341P, GLU536P, GLY452R, ILE310P, ILE328R, ILE339P, LEU320P, LEU320R, LEU336P, LEU416R, LYS318P, LYS325R, LYS493R, MET488R, PHE308P, PRO322R, PRO332P, PRO340P, PRO453R, PRO490R, SER327R, SER338P, THR326R, TRP449R, TYR324R, VAL309P, VAL337P
• E-Q: ALA117E, ALA118E, ALA123E, ALA132E, ALA13E, ALA22E, ALA25E, ALA26E, ALA302Q, ALA319Q, ALA329Q, ALA335Q, ALA402Q, ALA471Q, ALA496Q, ALA500Q, ALA73E, ALA82E, ARG133E, ARG142E, ARG166E, ARG167E, ARG188E, ARG307Q, ARG311Q, ARG313Q, ARG31E, ARG330Q, ARG333Q, ARG383Q, ARG407Q, ARG409Q, ARG414Q, ARG428Q, ARG450Q, ARG457Q, ARG528Q, ARG531Q, ARG64E, ARG94E, ASN115E, ASN116E, ASN127E, ASN136E, ASN159E, ASN28E, ASN350Q, ASN366Q, ASN403Q, ASN412Q, ASN497Q, ASN59E, ASN76E, ASN84E, ASN87E, ASN90E, ASP100E, ASP199E, ASP304Q, ASP312Q, ASP32E, ASP360Q, ASP386Q, ASP413Q, ASP524Q, ASP57E, ASP65E, ASP74E, ASP81E, CYS429Q, CYS489Q, GLN11E, GLN163E, GLN190E, GLN303Q, GLN334Q, GLN33E, GLN341Q, GLN387Q, GLN401Q, GLN477Q, GLN502Q, GLN503Q, GLN530Q, GLN72E, GLN80E, GLU162E, GLU192E, GLU194E, GLU24E, GLU345Q, GLU34E, GLU398Q, GLU3E, GLU499Q, GLU536Q, GLU69E, GLU78E, GLU7E, GLU86E, GLY119E, GLY134E, GLY14E, GLY191E, GLY193E, GLY20E, GLY27E, GLY348Q, GLY355Q, GLY357Q, GLY389Q, GLY406Q, GLY424Q, GLY425Q, GLY427Q, GLY464Q, GLY529Q, GLY58E, GLY60E, GLY77E, GLY93E, HIS125E, HIS138E, HIS140E, HIS18E, HIS316Q, HIS353Q, HIS359Q, HIS361Q, HIS410Q, HIS460Q, HIS462Q, HIS61E, ILE126E, ILE128E, ILE135E, ILE137E, ILE161E, ILE189E, ILE19E, ILE2E, ILE310Q, ILE328Q, ILE339Q, ILE343Q, ILE35E, ILE461Q, ILE465Q, ILE470Q, ILE475Q, ILE491Q, ILE495Q, ILE505Q, ILE525Q, LEU130E, LEU139E, LEU158E, LEU160E, LEU170E, LEU21E, LEU23E, LEU320Q, LEU336Q, LEU354Q, LEU363Q, LEU396Q, LEU419Q, LEU474Q, LEU478Q, LEU4E, LEU504Q, LEU527Q, LEU5E, LEU62E, LEU68E, LEU85E, LYS318Q, LYS325Q, LYS390Q, LYS411Q, LYS473Q, LYS493Q, MET122E, MET399Q, PHE131E, PHE197E, PHE198E, PHE200E, PHE308Q, PHE351Q, PHE356Q, PHE367Q, PHE423Q, PHE439Q, PHE463Q, PHE523Q, PHE67E, PHE92E, PHE99E, PRO156E, PRO15E, PRO29E, PRO301Q, PRO317Q, PRO322Q, PRO332Q, PRO340Q, PRO349Q, PRO448Q, PRO458Q, PRO468Q, PRO490Q, PRO6E, PRO9E, SER10E, SER129E, SER327Q, SER331Q, SER338Q, SER342Q, SER344Q, SER352Q, SER466Q, SER469Q, SER494Q, SER66E, SER91E, THR12E, THR141E, THR169E, THR195E, THR30E, THR321Q, THR326Q, THR346Q, THR347Q, THR472Q, THR476Q, THR533Q, THR8E, THR98E, TRP315Q, TRP400Q, TRP449Q, TRP71E, TYR144E, TYR16E, TYR324Q, TYR388Q, TYR408Q, TYR415Q, TYR447Q, TYR479Q, TYR56E, TYR79E, TYR83E, VAL113E, VAL114E, VAL120E, VAL157E, VAL17E, VAL196E, VAL309Q, VAL337Q, VAL384Q, VAL385Q, VAL397Q, VAL426Q, VAL492Q, VAL501Q, VAL526Q, VAL55E, VAL63E, VAL70E
• E-F: ARG133E, ARG166F, ARG167F, ARG64E, ASN59E, ASP57E, ASP65E, GLN163F, GLN165F, GLU162F, GLU194F, GLY191F, GLY60E, HIS61E, ILE161F, LEU62E, PRO164F, VAL63E
• E-R: ALA335R, ARG333R, ASN59E, GLN190E, GLN334R, GLY58E, HIS61E
• Q-F: ALA329Q, ARG166F, ARG330Q, ARG450Q, ASN451Q, ASN454Q, ASP199F, GLN163F, GLU162F, GLU3F, GLY452Q, ILE2F, LEU160F, LEU485Q, LYS325Q, MET488Q, PHE197F, PHE198F, PHE200F, PRO156F, PRO1F, PRO453Q, PRO484Q, PRO487Q, THR326Q, VAL157F
• Q-R: ALA329Q, ALA335R, ARG311R, ARG313R, ARG333Q, ARG333R, ARG450Q, ARG528R, ARG531R, ASN314R, ASN451Q, ASN454Q, ASP312R, ASP323Q, ASP455Q, GLN334R, GLN341R, GLY452Q, ILE310R, ILE328Q, ILE339R, LEU320Q, LEU320R, LEU336R, LEU416Q, LYS318R, LYS325Q, LYS493Q, PHE308R, PHE535R, PRO322Q, PRO332R, PRO340R, PRO453Q, PRO490Q, SER327Q, SER338R, THR326Q, TRP449Q, TYR324Q, VAL309R, VAL337R
• F-R: ALA117F, ALA118F, ALA132F, ALA13F, ALA22F, ALA25F, ALA26F, ALA302R, ALA319R, ALA329R, ALA335R, ALA358R, ALA402R, ALA471R, ALA496R, ALA500R, ALA73F, ALA82F, ARG133F, ARG142F, ARG166F, ARG167F, ARG188F, ARG307R, ARG311R, ARG313R, ARG31F, ARG330R, ARG333R, ARG407R, ARG409R, ARG414R, ARG428R, ARG450R, ARG457R, ARG528R, ARG531R, ARG64F, ARG94F, ASN115F, ASN116F, ASN127F, ASN136F, ASN159F, ASN28F, ASN314R, ASN350R, ASN366R, ASN403R, ASN412R, ASN497R, ASN59F, ASN76F, ASN84F, ASN87F, ASN90F, ASP100F, ASP199F, ASP304R, ASP312R, ASP32F, ASP360R, ASP386R, ASP413R, ASP524R, ASP57F, ASP65F, ASP74F, ASP81F, CYS429R, CYS489R, GLN11F, GLN163F, GLN190F, GLN303R, GLN334R, GLN33F, GLN341R, GLN387R, GLN401R, GLN477R, GLN502R, GLN503R, GLN530R, GLN72F, GLN80F, GLU162F, GLU192F, GLU194F, GLU24F, GLU345R, GLU34F, GLU398R, GLU3F, GLU499R, GLU536R, GLU69F, GLU78F, GLU7F, GLU86F, GLY119F, GLY134F, GLY14F, GLY191F, GLY193F, GLY20F, GLY27F, GLY348R, GLY355R, GLY357R, GLY389R, GLY406R, GLY424R, GLY425R, GLY427R, GLY464R, GLY529R, GLY58F, GLY60F, GLY77F, GLY93F, HIS125F, HIS138F, HIS140F, HIS18F, HIS316R, HIS353R, HIS359R, HIS361R, HIS410R, HIS460R, HIS462R, HIS61F, ILE126F, ILE128F, ILE135F, ILE137F, ILE161F, ILE189F, ILE19F, ILE2F, ILE310R, ILE328R, ILE339R, ILE343R, ILE35F, ILE465R, ILE470R, ILE475R, ILE491R, ILE495R, ILE505R, ILE525R, LEU130F, LEU139F, LEU158F, LEU160F, LEU170F, LEU21F, LEU23F, LEU320R, LEU336R, LEU354R, LEU363R, LEU396R, LEU419R, LEU474R, LEU478R, LEU4F, LEU504R, LEU527R, LEU5F, LEU62F, LEU85F, LYS318R, LYS325R, LYS390R, LYS411R, LYS473R, LYS493R, MET122F, MET399R, PHE131F, PHE197F, PHE198F, PHE200F, PHE308R, PHE351R, PHE356R, PHE367R, PHE423R, PHE439R, PHE463R, PHE523R, PHE67F, PHE92F, PHE99F, PRO111F, PRO156F, PRO15F, PRO29F, PRO301R, PRO317R, PRO322R, PRO332R, PRO340R, PRO349R, PRO448R, PRO468R, PRO490R, PRO6F, PRO9F, SER10F, SER129F, SER327R, SER331R, SER338R, SER342R, SER344R, SER352R, SER466R, SER469R, SER494R, SER66F, SER91F, THR12F, THR141F, THR169F, THR195F, THR30F, THR321R, THR326R, THR346R, THR347R, THR472R, THR476R, THR533R, THR8F, THR97F, THR98F, TRP315R, TRP400R, TRP449R, TRP71F, TYR144F, TYR16F, TYR324R, TYR388R, TYR408R, TYR415R, TYR447R, TYR479R, TYR56F, TYR79F, TYR83F, VAL113F, VAL114F, VAL120F, VAL157F, VAL17F, VAL196F, VAL309R, VAL337R, VAL384R, VAL385R, VAL397R, VAL426R, VAL492R, VAL501R, VAL526R, VAL55F, VAL63F, VAL70F