A0A077Z4J4_TRITR Loading...

Geranylgeranyl pyrophosphate synthase

AlphaFold DB , UniProt , Accession A0A077Z4J4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,270 aa.

						>A0A077Z4J4_TRITR|A0A077Z4J4
MQEEVECKCSDEFSLDSIINDESSGEQDSRQLTSISGGSDLSDQSDDTLDEDDDDDDDDSISDYDFEIDAKQLEQLESKVESAPFDYEAHYSLVSAYRSCGELEKLRFARQRLRQRLPVKTEECIVWIRDELSVGLAKDEIRKLFEDFLEEMPASFLLWLEYIQWSCGNMTVDEVRSLFEKAITAVGLHVAQADVLWSCYREYERCWTLAEQNGEVGQHQEKLLRVYRRQLSVAAEGLENVYNEYIALLGGRDVDSASKFIYESSLRELNLLRPFEKALDDCRDDPAIAYNQYIDFEMGRKNPARLACLFERAIADMPFNKAIWLRYLNWLDSSIKVPELCQKVFRRAARFLPTDVEIWQKSLLGCEYNNATWESLVDMANRAFEIETLKCTEAVELWLLHVYQCRRKCVRNGEGTEEVCKSEFALSLCEKNSRRPRFEEGAKWLKQNFGDRYWDMDGWYRKCWARYLASECNNMDGARSLWKEVMKGGSGRLASFWMDYIWLERQFGDHASVAELFSMASNSVTDFPEVVFNEWLQFLREEGSIHELWTAMNRVEKHKDLLKSKNVKRKERFENKKKKQPAKAQKNFQNETRTADNRGNKSKVLPPKRAAVPSPSQIDAQADRHVDADGFLVPPLPKAAKLSNNKRSVTKPAEQQQQQQSDTQGADGAHVEGSTVFVSNLDFSLSKDQLAAVFAEVGEVKEVRMMMLRPNRSKGYAYVEFKSSDSVPKALSLDRRLVDGRPMYVSVCRPADSKQQMDTEKPSAFKYFCGLEKNKLFVKNLSSFVKEKDLEDLFKPFGKLLSVRLVLHKSGQSKGLAYIEYADESSAERALSKTDGIHFHNKRLSVQLSNPPPRQPSTAGGVATKPFPVTQPPKSAPKMRLLPRAVRTLGSDCFRSMVDESSYVNGYEEELVAPYVYVSELPAKQVRKRLIEAFNVWLQVPDEKLRTICEIVNTLHNASIMIDDIEDDSVLRRGKPVAHKMFGLASTINSANYMYFVALKSCHALGHPDAVKIFTGMRASSIQSLASETLSSFAEQMMQLHRGQGMDIFWRDSVTCPTEEKYFEMIIKKTGGLFLLSVGLTQLFSANKTNYDELVQKFAIYFQIRDDYANLTSQEVYADLKSFAEDLTEGKFSYPIIHAVLNSADRDEVLGKWTAILFHRCTLDAPCAAILRRRVTSIELKQHCIDLLRRSGSLEYTRRRLSLLADEYFFFDFVHSRELSFSTLFACRIISTISSFGGNEKLVRMLNTLRDVHSKPELSNEAHSPVSSSG
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	37.4	Very low	122 Å²	122	99.7 Å²	99.7	60%	0.601	51%	0.509	S	S	*	.				0	-75.7	0	-85.8	-166.1	179	0	0	113	E3 E4 V5	M1-E3 PolarHBondContact O-N 2.87Å; M1-E4 PolarHBondContact N-OE2 2.86Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-E4 VanDerWaalsContact O-N 3.17Å; M1-V5 WeakPolarHBondContact O-CB 3.49Å; M1-V5 WeakPolarHBondContact O-CG2 3.11Å; M1-V5 PolarHBondContact O-N 2.91Å
2	Q	33.3	Very low	37.3	Very low	134 Å²	134	102.9 Å²	102.9	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-57.6	-50.4	175.2	-92.8	173.6	-35.4	0	0	112	E4 V5 E6	Q2-E4 VanDerWaalsContact C-N 3.3Å; Q2-E4 PolarHBondContact O-N 3Å; Q2-V5 PolarHBondContact O-N 3.35Å; Q2-E6 WeakPolarHBondContact O-CB 3.41Å; Q2-E6 VanDerWaalsContact O-CG 3.26Å; Q2-E6 WeakPolarHBondContact O-CG 3.12Å; Q2-E6 PolarHBondContact O-N 3.06Å
3	E	36.6	Very low	37.4	Very low	162 Å²	162	96.8 Å²	96.8	76%	0.757	49%	0.488	S	S	*	.	H	α-helix	trans	-63.7	-29.4	175.3	-70.6	176.5	159.1	0	0	113.8	M1 C7	M1-E3 PolarHBondContact O-N 2.87Å; E3-C7 WeakPolarHBondContact O-CB 3.44Å; E3-C7 PolarHBondContact O-N 2.69Å
4	E	37.9	Very low	37.8	Very low	131 Å²	131	93.4 Å²	93.4	61%	0.612	48%	0.478	S	S	*	.	H	α-helix	trans	-79.4	-29.7	179	-78	171.2	135.6	0	0	112.6	M1 Q2 K8	M1-E4 PolarHBondContact N-OE2 2.86Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-E4 VanDerWaalsContact O-N 3.17Å; Q2-E4 VanDerWaalsContact C-N 3.3Å; Q2-E4 PolarHBondContact O-N 3Å; E4-K8 WeakPolarHBondContact O-CG 3.25Å; E4-K8 PolarHBondContact O-N 3.32Å
5	V	44.1	Very low	37.8	Very low	25 Å²	25	89.2 Å²	89.2	15%	0.152	46%	0.457	C	S	.	.	H	α-helix	trans	-80	-38.7	175.1	175.8	0	0	0	0	109.7	M1 Q2 K8 C9 W207 A210	M1-V5 WeakPolarHBondContact O-CB 3.49Å; M1-V5 WeakPolarHBondContact O-CG2 3.11Å; M1-V5 PolarHBondContact O-N 2.91Å; Q2-V5 PolarHBondContact O-N 3.35Å; V5-K8 PolarHBondContact O-N 3.16Å; V5-C9 WeakPolarHBondContact O-CB 3.33Å; V5-C9 PolarHBondContact O-N 3.23Å; V5-C9 PolarHBondContact O-SG 3.46Å; V5-C9 VanDerWaalsContact O-SG 3.42Å; V5-W207 HydrophobicContact CG1-CH2 4.22Å; V5-W207 HydrophobicContact CG1-CZ2 4.47Å; V5-W207 HydrophobicContact CG1-CZ3 4.28Å; V5-A210 HydrophobicContact CB-CB 4.36Å; V5-A210 HydrophobicContact CG1-CB 3.81Å; V5-A210 HydrophobicContact CG2-CB 3.51Å
6	E	39.6	Very low	37.7	Very low	77 Å²	77	90.5 Å²	90.5	36%	0.36	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-40.9	172.7	-76.3	167.9	-172.8	0	0	112	Q2 S10	Q2-E6 WeakPolarHBondContact O-CB 3.41Å; Q2-E6 VanDerWaalsContact O-CG 3.26Å; Q2-E6 WeakPolarHBondContact O-CG 3.12Å; Q2-E6 PolarHBondContact O-N 3.06Å; E6-S10 WeakPolarHBondContact O-CB 3.48Å; E6-S10 PolarHBondContact O-N 3.4Å; E6-S10 PolarHBondContact O-OG 2.69Å
7	C	38.2	Very low	37.5	Very low	71 Å²	71	88.8 Å²	88.8	48%	0.48	46%	0.463	S	S	.	.	H	α-helix	trans	-68.7	-40.2	177.1	-156.6	0	0	0	0	112.2	E3 S10 D11	E3-C7 WeakPolarHBondContact O-CB 3.44Å; E3-C7 PolarHBondContact O-N 2.69Å; C7-S10 WeakPolarHBondContact CA-OG 3.39Å; C7-S10 PolarHBondContact O-N 2.99Å; C7-S10 PolarHBondContact O-OG 2.93Å; C7-D11 PolarHBondContact O-N 3.48Å
8	K	36.4	Very low	37.5	Very low	146 Å²	146	87.3 Å²	87.3	64%	0.635	46%	0.455	S	S	*	.	H	α-helix	trans	-70	-39.8	175	-78	-176.4	175.8	-174.6	0	113.5	E4 V5 S10 D11 E12	E4-K8 WeakPolarHBondContact O-CG 3.25Å; E4-K8 PolarHBondContact O-N 3.32Å; V5-K8 PolarHBondContact O-N 3.16Å; K8-S10 VanDerWaalsContact C-N 3.31Å; K8-S10 PolarHBondContact O-N 2.92Å; K8-D11 PolarHBondContact O-N 3.12Å; K8-E12 PolarHBondContact O-N 3Å; K8-E12 VanDerWaalsContact O-N 3.09Å
9	C	35.9	Very low	37.3	Very low	21 Å²	21	88.6 Å²	88.6	14%	0.142	46%	0.461	C	S	.	.	H	α-helix	trans	-64.3	-36.3	174.5	-78.9	0	0	0	0	111.6	V5 F13 C206	V5-C9 WeakPolarHBondContact O-CB 3.33Å; V5-C9 PolarHBondContact O-N 3.23Å; V5-C9 PolarHBondContact O-SG 3.46Å; V5-C9 VanDerWaalsContact O-SG 3.42Å; C9-F13 WeakPolarHBondContact O-CB 3.41Å; C9-F13 PolarHBondContact O-N 3.41Å; C9-F13 VanDerWaalsContact O-N 3.07Å; C9-C206 WeakPolarHBondContact SG-CB 3.5Å
10	S	36.9	Very low	37.1	Very low	77 Å²	77	90.3 Å²	90.3	54%	0.538	47%	0.471	S	S	.	.	H	α-helix	trans	-72.4	-33.8	179	38.2	0	0	0	0	113.2	E6 C7 K8	E6-S10 WeakPolarHBondContact O-CB 3.48Å; E6-S10 PolarHBondContact O-N 3.4Å; E6-S10 PolarHBondContact O-OG 2.69Å; C7-S10 WeakPolarHBondContact CA-OG 3.39Å; C7-S10 PolarHBondContact O-N 2.99Å; C7-S10 PolarHBondContact O-OG 2.93Å; K8-S10 VanDerWaalsContact C-N 3.31Å; K8-S10 PolarHBondContact O-N 2.92Å
11	D	39.1	Very low	37	Very low	131 Å²	131	93.2 Å²	93.2	70%	0.701	49%	0.487	S	S	*	.	H	α-helix	trans	-78.1	-30.1	178.2	-74.6	-21.2	0	0	0	113.5	C7 K8	C7-D11 PolarHBondContact O-N 3.48Å; K8-D11 PolarHBondContact O-N 3.12Å
12	E	36.2	Very low	37.1	Very low	138 Å²	138	94.8 Å²	94.8	65%	0.645	49%	0.493	S	S	*	.	H	α-helix	trans	-88.4	-23.6	177.5	-73.1	-179.3	170.5	0	0	113.3	K8 S14	K8-E12 PolarHBondContact O-N 3Å; K8-E12 VanDerWaalsContact O-N 3.09Å; E12-S14 VanDerWaalsContact C-N 3.35Å; E12-S14 PolarHBondContact O-N 2.98Å
13	F	38.9	Very low	36.9	Very low	23 Å²	23	93.6 Å²	93.6	10%	0.101	50%	0.5	C	S	.	.			trans	-95.3	54.7	-175.9	-143.3	-87.3	0	0	0	111.7	C9 C199 E202	C9-F13 WeakPolarHBondContact O-CB 3.41Å; C9-F13 PolarHBondContact O-N 3.41Å; C9-F13 VanDerWaalsContact O-N 3.07Å; F13-C199 HydrophobicContact CE1-CB 4.38Å; F13-C199 HydrophobicContact CZ-CB 3.86Å; F13-E202 HydrophobicContact CD2-CG 4.35Å; F13-E202 HydrophobicContact CE2-CB 3.98Å; F13-E202 HydrophobicContact CE2-CG 4.09Å
14	S	42.9	Very low	36.5	Very low	50 Å²	50	92.4 Å²	92.4	35%	0.35	51%	0.509	S	S	.	.			trans	-84.6	119.4	164.9	179.6	0	0	0	0	109.1	E12 D16 S17	E12-S14 VanDerWaalsContact C-N 3.35Å; E12-S14 PolarHBondContact O-N 2.98Å; S14-D16 PolarHBondContact O-N 3.1Å; S14-D16 PolarHBondContact OG-N 3.24Å; S14-S17 PolarHBondContact O-N 2.9Å; S14-S17 PolarHBondContact O-OG 2.96Å
15	L	37.1	Very low	36	Very low	30 Å²	30	89.1 Å²	89.1	16%	0.157	51%	0.511	C	S	.	.	H	α-helix	trans	-54.6	-26.1	174.5	-105.4	136.8	0	0	0	112.5	S17 I18 I19 L160 Q164	L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 2.93Å; L15-I18 PolarHBondContact O-N 3.2Å; L15-I19 HydrophobicContact CD2-CD1 4.04Å; L15-I19 WeakPolarHBondContact O-CD1 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 2.82Å; L15-I19 VanDerWaalsContact O-N 3.12Å; L15-L160 HydrophobicContact CD2-CD1 4.38Å; L15-Q164 HydrophobicContact CD1-CB 4.49Å; L15-Q164 VanDerWaalsContact CD1-OE1 3.23Å
16	D	36.1	Very low	35.4	Very low	110 Å²	110	97.6 Å²	97.6	59%	0.588	55%	0.548	S	S	*	.	H	α-helix	trans	-68.9	-23.9	176.5	-65.2	-30.2	0	0	0	113.2	S14 N20	S14-D16 PolarHBondContact O-N 3.1Å; S14-D16 PolarHBondContact OG-N 3.24Å; D16-N20 WeakPolarHBondContact O-CB 3.22Å; D16-N20 PolarHBondContact O-ND2 3.07Å
17	S	35.1	Very low	34.7	Very low	62 Å²	62	103.4 Å²	103.4	43%	0.434	58%	0.575	S	S	.	*	H	α-helix	trans	-79.3	-33.1	174.8	70.1	0	0	0	0	111.9	S14 L15	S14-S17 PolarHBondContact O-N 2.9Å; S14-S17 PolarHBondContact O-OG 2.96Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 2.93Å
18	I	36.2	Very low	34.3	Very low	61 Å²	61	107.4 Å²	107.4	31%	0.313	59%	0.592	S	S	.	*	H	α-helix	trans	-76.8	-31.9	-178.5	-60.5	174.9	0	0	0	111.3	L15	L15-I18 PolarHBondContact O-N 3.2Å
19	I	35	Very low	33.8	Very low	112 Å²	112	105.8 Å²	105.8	57%	0.574	60%	0.599	S	S	*	*	H	α-helix	trans	-79.2	-24.1	179.9	-66.7	167.7	0	0	0	112.2	L15	L15-I19 HydrophobicContact CD2-CD1 4.04Å; L15-I19 WeakPolarHBondContact O-CD1 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 2.82Å; L15-I19 VanDerWaalsContact O-N 3.12Å
20	N	33.5	Very low	33.4	Very low	122 Å²	122	113.1 Å²	113.1	65%	0.652	62%	0.624	S	S	*	*	S	Bend	trans	-97.6	-4.1	-170.5	-76.5	-42.8	0	0	0	115.8	D16	D16-N20 WeakPolarHBondContact O-CB 3.22Å; D16-N20 PolarHBondContact O-ND2 3.07Å
21	D	34.3	Very low	32.9	Very low	153 Å²	153	117.3 Å²	117.3	82%	0.818	64%	0.635	S	S	*	*	S	Bend	trans	-93.5	0.3	-176.3	-113.3	-5.8	0	0	0	114.8
22	E	34.6	Very low	32.3	Very low	155 Å²	155	118.7 Å²	118.7	72%	0.724	64%	0.642	S	S	*	*	S	Bend	trans	-122.3	64.1	176.4	-68.6	-165.2	155.6	0	0	112.8
23	S	30.2	Very low	31.9	Very low	109 Å²	109	117.1 Å²	117.1	76%	0.762	64%	0.641	S	S	*	*			trans	-176.1	87.8	150.6	46	0	0	0	0	113.2
24	S	28.3	Very low	31.3	Very low	137 Å²	137	121.2 Å²	121.2	96%	0.958	67%	0.673	S	S	*	*			trans	-97.9	85.9	152	45.3	0	0	0	0	108
25	G	28.2	Very low	30.6	Very low	62 Å²	62	126.3 Å²	126.3	64%	0.639	70%	0.695	S	S	*	*	S	Bend	trans	168.2	105.6	178.4	0	0	0	0	0	113.4
26	E	30.7	Very low	30.2	Very low	202 Å²	202	129.9 Å²	129.9	94%	0.944	72%	0.722	S	S	*	*			trans	66.2	112.2	164.4	-69.1	176.7	165.4	0	0	118.4	D28	E26-D28 PolarHBondContact O-N 3.18Å
27	Q	25.7	Very low	29.7	Very low	199 Å²	199	128.5 Å²	128.5	93%	0.93	73%	0.734	S	S	*	*			trans	-66.3	116.1	170	-67.7	170.7	-57.7	0	0	109.7
28	D	29.3	Very low	29.4	Very low	156 Å²	156	129.2 Å²	129.2	83%	0.834	75%	0.751	S	S	*	*			trans	-142.8	110.5	151.2	-115.9	-13.7	0	0	0	108.8	E26 R30	E26-D28 PolarHBondContact O-N 3.18Å; D28-R30 PolarHBondContact O-N 3.14Å
29	S	26.4	Very low	29.1	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	77%	0.773	S	S	*	*			trans	-65.6	102.3	-176.7	39.3	0	0	0	0	112	Q31	S29-Q31 PolarHBondContact O-N 3.5Å
30	R	26.3	Very low	28.9	Very low	174 Å²	174	133.5 Å²	133.5	66%	0.657	79%	0.785	S	S	*	*			trans	-87.3	87.5	166.9	-75.3	178.8	169.4	-174.9	-11.1	110	D28 L32 D280	D28-R30 PolarHBondContact O-N 3.14Å; R30-L32 PolarHBondContact O-N 3.15Å; R30-D280 IonicContact NH1-OD2 3.91Å; R30-D280 IonicContact NH2-OD2 3.25Å; R30-D280 PolarHBondContact NH2-OD2 3.26Å
31	Q	26.7	Very low	28.6	Very low	166 Å²	166	136 Å²	136	78%	0.776	80%	0.797	S	S	*	*			trans	-69.4	114.1	161	-75.9	-178	-3	0	0	108.7	S29 T33	S29-Q31 PolarHBondContact O-N 3.5Å; Q31-T33 PolarHBondContact O-N 2.75Å
32	L	26.5	Very low	28.6	Very low	160 Å²	160	133.7 Å²	133.7	84%	0.838	79%	0.793	S	S	*	*			trans	-79.5	92.4	169.5	-104.4	137.6	0	0	0	108.1	R30	R30-L32 PolarHBondContact O-N 3.15Å
33	T	27.4	Very low	28.5	Very low	104 Å²	104	132.5 Å²	132.5	64%	0.638	79%	0.791	S	S	*	*			trans	-73.2	142.3	176.6	45.8	0	0	0	0	111.8	Q31 I35	Q31-T33 PolarHBondContact O-N 2.75Å; T33-I35 PolarHBondContact O-N 3.23Å
34	S	26.5	Very low	28.6	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	79%	0.789	S	S	*	*			trans	-43.3	123.3	174.7	52.8	0	0	0	0	114.8	S36	S34-S36 PolarHBondContact O-N 3.17Å
35	I	28.2	Very low	29	Very low	158 Å²	158	133.6 Å²	133.6	81%	0.81	78%	0.782	S	S	*	*			trans	-77.9	90.1	167.1	-60.2	175.1	0	0	0	108.2	T33	T33-I35 PolarHBondContact O-N 3.23Å
36	S	29.4	Very low	29.2	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	79%	0.79	S	S	*	*			trans	-72.9	118.4	162.6	55	0	0	0	0	109.2	S34 G38	S34-S36 PolarHBondContact O-N 3.17Å; S36-G38 PolarHBondContact O-N 3.24Å
37	G	25.5	Very low	29.5	Very low	81 Å²	81	134.2 Å²	134.2	84%	0.835	78%	0.777	S	S	*	*			trans	-64	114.7	174.2	0	0	0	0	0	111.5
38	G	28.9	Very low	30	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	77%	0.768	S	S	*	*			trans	-108.3	99.5	173	0	0	0	0	0	110.8	S36	S36-G38 PolarHBondContact O-N 3.24Å
39	S	29.2	Very low	30.4	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	77%	0.766	S	S	*	*			trans	-67.4	130.7	154.9	52.5	0	0	0	0	109
40	D	31.7	Very low	30.8	Very low	154 Å²	154	131 Å²	131	82%	0.824	76%	0.762	S	S	*	*			trans	-153.5	122.4	152.8	-107.4	-25.5	0	0	0	114.4
41	L	27.7	Very low	31.3	Very low	174 Å²	174	130.7 Å²	130.7	91%	0.911	77%	0.768	S	S	*	*			trans	-138.7	92.1	161	-79.6	177.6	0	0	0	106.7
42	S	33	Very low	31.7	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	76%	0.763	S	S	*	*			trans	-177	120.5	143.4	52.6	0	0	0	0	114.3
43	D	33.3	Very low	32.3	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	76%	0.757	S	S	*	*			trans	18	124.4	145.5	-76.6	-35.8	0	0	0	123.7
44	Q	31.6	Very low	32.9	Very low	152 Å²	152	128.6 Å²	128.6	71%	0.71	76%	0.759	S	S	*	*				56.1	112.4	124.8	-58.6	-173.5	-11.2	0	0	122.3
45	S	36.5	Very low	33.5	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	76%	0.758	S	S	*	*				166.7	110.8	123.4	39.7	0	0	0	0	108.5
46	D	33.5	Very low	34.1	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	76%	0.761	S	S	*	*				78.1	137.1	85.4	-141.5	11.4	0	0	0	115
47	D	37.2	Very low	34.4	Very low	128 Å²	128	133.2 Å²	133.2	68%	0.684	77%	0.768	S	S	*	*			trans	86	90.2	168.7	-61.6	-35	0	0	0	122
48	T	34.8	Very low	34.9	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	77%	0.768	S	S	*	*				45.6	149.9	115.6	54.7	0	0	0	0	123.9
49	L	37.4	Very low	35.1	Very low	149 Å²	149	140.9 Å²	140.9	78%	0.78	77%	0.772	S	S	*	*			trans	104.1	95.3	165.8	-54	175.8	0	0	0	113.6
50	D	35.2	Very low	35.3	Very low	131 Å²	131	140.4 Å²	140.4	70%	0.701	77%	0.768	S	S	*	*				83.5	122.1	71.8	-74.8	-23.5	0	0	0	113.3
51	E	36.2	Very low	35.3	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	77%	0.773	S	S	*	*			trans	66.7	141.2	149.1	-61.3	173.5	-174.8	0	0	116.9
52	D	36.7	Very low	35.5	Very low	125 Å²	125	136.2 Å²	136.2	67%	0.668	75%	0.75	S	S	*	*			cis	-173.1	164.7	-2.7	-97.5	-25.1	0	0	0	105.3
53	D	38.9	Very low	35.6	Very low	133 Å²	133	139.3 Å²	139.3	71%	0.711	76%	0.758	S	S	*	*			trans	81.5	121.7	146.7	-66.4	-16.2	0	0	0	123.3
54	D	40	Very low	35.6	Very low	128 Å²	128	142 Å²	142	68%	0.684	76%	0.76	S	S	*	*			trans	87	107.6	131.9	-59.4	-16.6	0	0	0	121.7
55	D	38	Very low	36.1	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	77%	0.767	S	S	*	*				41.6	119.7	123	-62.5	-20.9	0	0	0	119.3
56	D	40.4	Very low	36.5	Very low	162 Å²	162	145 Å²	145	87%	0.866	76%	0.764	S	S	*	*				174.5	132.5	112.9	-88.4	-32.1	0	0	0	111.6
57	D	36.5	Very low	37.5	Very low	165 Å²	165	146.7 Å²	146.7	88%	0.882	77%	0.767	S	S	*	*			trans	-61.3	135.3	169.8	-64.2	-57.3	0	0	0	111.9
58	D	36.8	Very low	38.8	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	75%	0.746	S	S	*	*			trans	-155.9	117.9	144.9	-145	-1.7	0	0	0	113	S60	D58-S60 PolarHBondContact O-N 3.09Å
59	D	32.4	Very low	40.5	Very low	163 Å²	163	141 Å²	141	87%	0.872	73%	0.731	S	S	*	*			trans	-75	108.2	169.1	-80.1	-50.9	0	0	0	110.3
60	S	33.2	Very low	42.4	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	73%	0.726	S	S	*	*			trans	-161.8	96.5	149.6	77.4	0	0	0	0	112.9	D58 S62	D58-S60 PolarHBondContact O-N 3.09Å; S60-S62 PolarHBondContact O-N 2.98Å
61	I	33	Very low	44.6	Very low	180 Å²	180	138.3 Å²	138.3	92%	0.923	72%	0.723	S	S	*	*			trans	-87.8	94.3	157.2	-74	172.1	0	0	0	106.8
62	S	31.6	Very low	46.7	Very low	61 Å²	61	134.2 Å²	134.2	43%	0.427	70%	0.704	S	S	.	*			trans	-75.7	134.8	168	56.4	0	0	0	0	110.3	S60 Y64	S60-S62 PolarHBondContact O-N 2.98Å; S62-Y64 WeakPolarHBondContact O-CD2 3.48Å; S62-Y64 PolarHBondContact O-N 3.45Å; S62-Y64 WeakPolarHBondContact OG-CD2 3.39Å; S62-Y64 WeakPolarHBondContact OG-CE2 3.08Å
63	D	33.6	Very low	49.1	Very low	169 Å²	169	129.4 Å²	129.4	90%	0.904	68%	0.678	S	S	*	*			trans	-42.3	102	162.4	-75.5	-38.8	0	0	0	111.2
64	Y	34	Very low	51.4	Low	185 Å²	185	129.4 Å²	129.4	73%	0.725	67%	0.674	S	S	*	*			trans	-107.1	98.4	162.1	-80.6	-75.6	0	0	0	107.6	S62 F66	S62-Y64 WeakPolarHBondContact O-CD2 3.48Å; S62-Y64 PolarHBondContact O-N 3.45Å; S62-Y64 WeakPolarHBondContact OG-CD2 3.39Å; S62-Y64 WeakPolarHBondContact OG-CE2 3.08Å; Y64-F66 VanDerWaalsContact C-N 3.26Å; Y64-F66 PolarHBondContact O-N 3.34Å
65	D	41.5	Very low	53.7	Low	161 Å²	161	129.6 Å²	129.6	86%	0.861	67%	0.67	S	S	*	*			trans	-56.6	91.2	159.9	-83.7	-35	0	0	0	108.5	E67	D65-E67 PolarHBondContact O-N 3.23Å; D65-E67 VanDerWaalsContact O-N 3.08Å
66	F	44.9	Very low	56.1	Low	173 Å²	173	124.5 Å²	124.5	76%	0.759	64%	0.643	S	S	*	*			trans	-71.6	97	165.3	-103.9	-92.1	0	0	0	107.4	Y64 I68	Y64-F66 VanDerWaalsContact C-N 3.26Å; Y64-F66 PolarHBondContact O-N 3.34Å; F66-I68 PolarHBondContact O-N 3.01Å
67	E	55.9	Low	58.5	Low	184 Å²	184	120.5 Å²	120.5	86%	0.86	62%	0.619	S	S	*	*			trans	-59.8	103	164.9	-80.9	-173.8	160.7	0	0	108.6	D65 D69	D65-E67 PolarHBondContact O-N 3.23Å; D65-E67 VanDerWaalsContact O-N 3.08Å; E67-D69 PolarHBondContact O-N 3.44Å
68	I	64.1	Low	61.1	Low	46 Å²	46	116 Å²	116	24%	0.236	60%	0.6	C	S	.	*			trans	-68.8	118.3	172.4	-61.4	176.5	0	0	0	107.7	F66 Q72 L73 A96 S99	F66-I68 PolarHBondContact O-N 3.01Å; I68-Q72 HydrophobicContact CG2-CB 3.73Å; I68-L73 HydrophobicContact CG2-CG 4.06Å; I68-A96 VanDerWaalsContact CD1-CA 3.5Å; I68-A96 HydrophobicContact CD1-CB 3.43Å; I68-A96 VanDerWaalsContact CD1-CB 3.43Å; I68-A96 HydrophobicContact CG2-CB 4.45Å; I68-S99 WeakPolarHBondContact CD1-OG 3.45Å
69	D	69.5	Low	63.6	Low	82 Å²	82	112.7 Å²	112.7	44%	0.439	58%	0.579	S	S	.	*			trans	-74.8	158.1	-178.5	81.6	20.2	0	0	0	111.8	E67 K71 Q72 L73	E67-D69 PolarHBondContact O-N 3.44Å; D69-K71 PolarHBondContact O-N 2.99Å; D69-K71 WeakPolarHBondContact OD1-CA 3.41Å; D69-K71 WeakPolarHBondContact OD1-CB 3.11Å; D69-K71 PolarHBondContact OD1-N 2.88Å; D69-Q72 WeakPolarHBondContact O-CB 3.49Å; D69-Q72 PolarHBondContact O-N 2.78Å; D69-Q72 VanDerWaalsContact O-N 3.07Å; D69-Q72 WeakPolarHBondContact OD1-CG 3.41Å; D69-Q72 PolarHBondContact OD1-N 3.15Å; D69-L73 PolarHBondContact O-N 2.96Å
70	A	78.6	Confident	66.2	Low	82 Å²	82	105 Å²	105	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-59.2	-23.8	-178	0	0	0	0	0	113.5	E74	A70-E74 PolarHBondContact O-N 3.05Å
71	K	80.3	Confident	68.8	Low	142 Å²	142	106 Å²	106	62%	0.617	53%	0.531	S	S	*	.	H	α-helix	trans	-77.5	-36.5	177.6	-68.7	179.7	177.8	174.9	0	111.6	D69 L73 E74 Q75	D69-K71 PolarHBondContact O-N 2.99Å; D69-K71 WeakPolarHBondContact OD1-CA 3.41Å; D69-K71 WeakPolarHBondContact OD1-CB 3.11Å; D69-K71 PolarHBondContact OD1-N 2.88Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-E74 PolarHBondContact O-N 3.32Å; K71-Q75 WeakPolarHBondContact O-CB 3.47Å; K71-Q75 VanDerWaalsContact O-CG 3.23Å; K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 3.14Å
72	Q	81.8	Confident	71.3	Confident	82 Å²	82	101.2 Å²	101.2	38%	0.383	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-41.1	174.5	-73	174.1	-37.5	0	0	110.7	I68 D69 Q75 L76	I68-Q72 HydrophobicContact CG2-CB 3.73Å; D69-Q72 WeakPolarHBondContact O-CB 3.49Å; D69-Q72 PolarHBondContact O-N 2.78Å; D69-Q72 VanDerWaalsContact O-N 3.07Å; D69-Q72 WeakPolarHBondContact OD1-CG 3.41Å; D69-Q72 PolarHBondContact OD1-N 3.15Å; Q72-Q75 PolarHBondContact O-N 3.2Å; Q72-L76 WeakPolarHBondContact O-CG 3.33Å; Q72-L76 PolarHBondContact O-N 3.37Å
73	L	85.9	Confident	73.6	Confident	24 Å²	24	99.4 Å²	99.4	13%	0.126	50%	0.502	C	S	.	.	H	α-helix	trans	-60.4	-48.9	172.3	-81.2	167.7	0	0	0	112.1	I68 D69 K71 Q75 L76 E77 L93 A96 Y97	I68-L73 HydrophobicContact CG2-CG 4.06Å; D69-L73 PolarHBondContact O-N 2.96Å; K71-L73 VanDerWaalsContact C-N 3.33Å; L73-Q75 VanDerWaalsContact C-N 3.26Å; L73-Q75 PolarHBondContact O-N 3.39Å; L73-L76 PolarHBondContact O-N 3.2Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L73-E77 WeakPolarHBondContact O-CG 3.35Å; L73-E77 PolarHBondContact O-N 3.33Å; L73-L93 HydrophobicContact CD2-CD1 4.4Å; L73-A96 HydrophobicContact CD2-CB 3.77Å; L73-Y97 HydrophobicContact CD1-CE1 4.43Å; L73-Y97 HydrophobicContact CD2-CD1 4.01Å; L73-Y97 HydrophobicContact CD2-CE1 3.78Å
74	E	86.5	Confident	75.9	Confident	133 Å²	133	92.5 Å²	92.5	62%	0.621	47%	0.467	S	S	*	.	H	α-helix	trans	-60.2	-36.4	177.7	-169.8	178.6	-168.7	0	0	112.1	A70 K71 S78	A70-E74 PolarHBondContact O-N 3.05Å; K71-E74 PolarHBondContact O-N 3.32Å; E74-S78 WeakPolarHBondContact O-CB 3.22Å; E74-S78 PolarHBondContact O-N 3.19Å
75	Q	88.8	Confident	78.1	Confident	131 Å²	131	85.5 Å²	85.5	61%	0.612	44%	0.44	S	S	*	.	H	α-helix	trans	-66.7	-42.3	174.2	-74.5	170.9	21.7	0	0	112.5	K71 Q72 L73 S78 K79	K71-Q75 WeakPolarHBondContact O-CB 3.47Å; K71-Q75 VanDerWaalsContact O-CG 3.23Å; K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 3.14Å; Q72-Q75 PolarHBondContact O-N 3.2Å; L73-Q75 VanDerWaalsContact C-N 3.26Å; L73-Q75 PolarHBondContact O-N 3.39Å; Q75-S78 PolarHBondContact O-N 3.15Å; Q75-K79 WeakPolarHBondContact O-CB 3.47Å; Q75-K79 PolarHBondContact O-N 3.42Å
76	L	89	Confident	80.1	Confident	35 Å²	35	80.2 Å²	80.2	18%	0.183	41%	0.412	C	S	.	.	H	α-helix	trans	-66.3	-41.9	177.2	-72.3	173.6	0	0	0	111.5	Q72 L73 K79 V80 L93 A96	Q72-L76 WeakPolarHBondContact O-CG 3.33Å; Q72-L76 PolarHBondContact O-N 3.37Å; L73-L76 PolarHBondContact O-N 3.2Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L76-K79 WeakPolarHBondContact O-CB 3.33Å; L76-K79 PolarHBondContact O-N 3.24Å; L76-V80 WeakPolarHBondContact O-CG2 3.34Å; L76-V80 PolarHBondContact O-N 3.39Å; L76-L93 HydrophobicContact CB-CB 4.37Å; L76-L93 HydrophobicContact CB-CD1 3.84Å; L76-A96 HydrophobicContact CD1-CB 3.93Å
77	E	91.3	Very high	82.1	Confident	77 Å²	77	73.5 Å²	73.5	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-47	173.5	-71.1	-170	139.3	0	0	111.5	L73 K79 V80 E81 L93 Y97	L73-E77 WeakPolarHBondContact O-CG 3.35Å; L73-E77 PolarHBondContact O-N 3.33Å; E77-K79 VanDerWaalsContact C-N 3.29Å; E77-K79 PolarHBondContact O-N 3.21Å; E77-V80 PolarHBondContact O-N 3.28Å; E77-E81 WeakPolarHBondContact O-CG 3.12Å; E77-E81 PolarHBondContact O-N 2.94Å; E77-L93 HydrophobicContact CG-CD1 3.82Å; E77-L93 HydrophobicContact CG-CD2 4.35Å; E77-Y97 VanDerWaalsContact CD-OH 3.28Å; E77-Y97 PolarHBondContact OE1-OH 3.29Å
78	S	90.9	Very high	83.5	Confident	71 Å²	71	69.7 Å²	69.7	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-38	176	-175.1	0	0	0	0	112	E74 Q75 E81 S82	E74-S78 WeakPolarHBondContact O-CB 3.22Å; E74-S78 PolarHBondContact O-N 3.19Å; Q75-S78 PolarHBondContact O-N 3.15Å; S78-E81 PolarHBondContact O-N 2.86Å; S78-S82 WeakPolarHBondContact O-CB 3.3Å; S78-S82 PolarHBondContact O-N 3.19Å; S78-S82 PolarHBondContact O-OG 3.15Å
79	K	89.3	Confident	84.7	Confident	87 Å²	87	67.5 Å²	67.5	38%	0.378	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-47.9	176.4	-167.4	-177	176.9	-164.7	0	111.2	Q75 L76 E77 E81 S82 A83 D86 A89	Q75-K79 WeakPolarHBondContact O-CB 3.47Å; Q75-K79 PolarHBondContact O-N 3.42Å; L76-K79 WeakPolarHBondContact O-CB 3.33Å; L76-K79 PolarHBondContact O-N 3.24Å; E77-K79 VanDerWaalsContact C-N 3.29Å; E77-K79 PolarHBondContact O-N 3.21Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E81 PolarHBondContact O-N 3.35Å; K79-S82 WeakPolarHBondContact CA-OG 3.41Å; K79-S82 PolarHBondContact O-N 3.27Å; K79-S82 VanDerWaalsContact O-N 3.17Å; K79-S82 PolarHBondContact O-OG 3.23Å; K79-A83 PolarHBondContact O-N 3.22Å; K79-D86 VanDerWaalsContact CE-OD2 3.31Å; K79-D86 WeakPolarHBondContact CE-OD2 3.49Å; K79-D86 IonicContact NZ-OD2 3.9Å; K79-A89 HydrophobicContact CB-CB 4.42Å; K79-A89 HydrophobicContact CD-CB 3.78Å; K79-A89 HydrophobicContact CG-CB 3.87Å
80	V	87.6	Confident	85.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-33.6	176.6	171.4	0	0	0	0	112.2	L76 E77 A83 P84 A89 H90 L93	L76-V80 WeakPolarHBondContact O-CG2 3.34Å; L76-V80 PolarHBondContact O-N 3.39Å; E77-V80 PolarHBondContact O-N 3.28Å; V80-A83 CarbonylContact O-C 3.46Å; V80-P84 WeakPolarHBondContact O-CA 3.43Å; V80-A89 VanDerWaalsContact CG2-C 3.48Å; V80-A89 HydrophobicContact CG2-CB 3.8Å; V80-A89 WeakPolarHBondContact CG2-O 3.2Å; V80-H90 WeakPolarHBondContact CG1-CE1 3.38Å; V80-L93 HydrophobicContact CB-CD2 4.35Å; V80-L93 HydrophobicContact CG2-CB 4.26Å; V80-L93 HydrophobicContact CG2-CD2 3.94Å
81	E	87	Confident	86.3	Confident	122 Å²	122	63.8 Å²	63.8	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-69.5	-37.9	172.6	-77.4	179.8	179.4	0	0	113	E77 S78 K79 R112	E77-E81 WeakPolarHBondContact O-CG 3.12Å; E77-E81 PolarHBondContact O-N 2.94Å; S78-E81 PolarHBondContact O-N 2.86Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E81 PolarHBondContact O-N 3.35Å; E81-R112 VanDerWaalsContact CG-NH2 3.33Å; E81-R112 IonicContact OE1-NH1 3.96Å
82	S	84.6	Confident	86.8	Confident	79 Å²	79	58.8 Å²	58.8	55%	0.552	30%	0.298	S	S	*	.	H	α-helix	trans	-77.6	-22.2	179.8	72.1	0	0	0	0	114.3	S78 K79	S78-S82 WeakPolarHBondContact O-CB 3.3Å; S78-S82 PolarHBondContact O-N 3.19Å; S78-S82 PolarHBondContact O-OG 3.15Å; K79-S82 WeakPolarHBondContact CA-OG 3.41Å; K79-S82 PolarHBondContact O-N 3.27Å; K79-S82 VanDerWaalsContact O-N 3.17Å; K79-S82 PolarHBondContact O-OG 3.23Å
83	A	80.8	Confident	87.3	Confident	22 Å²	22	55.2 Å²	55.2	18%	0.182	28%	0.282	C	S	.	.			trans	-142.8	76.6	-179	0	0	0	0	0	110.4	K79 V80 F85 D86	K79-A83 PolarHBondContact O-N 3.22Å; V80-A83 CarbonylContact O-C 3.46Å; A83-F85 PolarHBondContact O-N 3.46Å; A83-D86 HydrophobicContact CB-CB 3.8Å; A83-D86 WeakPolarHBondContact O-CB 3.28Å; A83-D86 PolarHBondContact O-N 3.07Å
84	P	82.5	Confident	87.6	Confident	25 Å²	25	54.3 Å²	54.3	16%	0.162	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.8	-172.8	-23.9	35.5	0	0	0	115.2	V80 H90 E387	V80-P84 WeakPolarHBondContact O-CA 3.43Å; P84-H90 PolarHBondContact O-NE2 3.26Å; P84-E387 WeakPolarHBondContact CD-OE1 3.34Å
85	F	80	Confident	87.7	Confident	38 Å²	38	50.9 Å²	50.9	17%	0.167	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	5.9	178.7	-59.4	-76.8	0	0	0	113.4	A83 Y87 L117 P353 E385	A83-F85 PolarHBondContact O-N 3.46Å; F85-Y87 PolarHBondContact O-N 3.38Å; F85-L117 HydrophobicContact CB-CD2 4.41Å; F85-L117 HydrophobicContact CD1-CD2 4.2Å; F85-P353 HydrophobicContact CB-CG 4.44Å; F85-P353 HydrophobicContact CD1-CB 3.7Å; F85-P353 HydrophobicContact CD1-CG 4.07Å; F85-P353 HydrophobicContact CE1-CB 4.05Å; F85-P353 HydrophobicContact CG-CB 4.42Å; F85-E385 HydrophobicContact CE2-CB 4.46Å; F85-E385 WeakPolarHBondContact CE2-O 2.94Å; F85-E385 HydrophobicContact CZ-CB 4.4Å
86	D	84.1	Confident	87.8	Confident	49 Å²	49	44.8 Å²	44.8	26%	0.262	24%	0.24	S	C	.	.			trans	-76.7	102.1	173.5	-178.6	-3.7	0	0	0	110.1	K79 A83 E88 A89 H90	K79-D86 VanDerWaalsContact CE-OD2 3.31Å; K79-D86 WeakPolarHBondContact CE-OD2 3.49Å; K79-D86 IonicContact NZ-OD2 3.9Å; A83-D86 HydrophobicContact CB-CB 3.8Å; A83-D86 WeakPolarHBondContact O-CB 3.28Å; A83-D86 PolarHBondContact O-N 3.07Å; D86-E88 VanDerWaalsContact C-N 3.25Å; D86-E88 PolarHBondContact O-N 3.18Å; D86-E88 WeakPolarHBondContact OD1-CB 3.16Å; D86-E88 PolarHBondContact OD1-N 3.03Å; D86-A89 HydrophobicContact CB-CB 3.89Å; D86-A89 PolarHBondContact O-N 3.04Å; D86-A89 PolarHBondContact OD1-N 3.07Å; D86-A89 WeakPolarHBondContact OD2-CB 3.25Å; D86-H90 PolarHBondContact O-CD2 3.37Å; D86-H90 VanDerWaalsContact O-CD2 3.29Å; D86-H90 PolarHBondContact O-N 2.92Å
87	Y	84.9	Confident	87.9	Confident	32 Å²	32	43.6 Å²	43.6	13%	0.125	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-39.8	-179.8	-162.8	-75.3	0	0	0	112.1	F85 H90 Y91 L117 P118 K120 F319	F85-Y87 PolarHBondContact O-N 3.38Å; Y87-H90 PolarHBondContact O-N 2.89Å; Y87-Y91 WeakPolarHBondContact O-CB 3.38Å; Y87-Y91 PolarHBondContact O-N 2.96Å; Y87-L117 HydrophobicContact CD2-CB 4.4Å; Y87-L117 HydrophobicContact CD2-CD1 4.11Å; Y87-L117 HydrophobicContact CG-CD1 4.48Å; Y87-P118 VanDerWaalsContact CE2-O 3.26Å; Y87-P118 WeakPolarHBondContact CE2-O 3.38Å; Y87-K120 HydrophobicContact CE1-CD 4.03Å; Y87-K120 HydrophobicContact CE1-CG 4.48Å; Y87-K120 VanDerWaalsContact OH-CG 3.24Å; Y87-K120 WeakPolarHBondContact OH-CG 3.24Å; Y87-K120 PolarHBondContact OH-N 3.48Å; Y87-K120 VanDerWaalsContact OH-N 3.13Å; Y87-F319 HydrophobicContact CD2-CZ 4.05Å; Y87-F319 HydrophobicContact CE2-CZ 4.1Å
88	E	87	Confident	87.9	Confident	104 Å²	104	45.9 Å²	45.9	49%	0.486	24%	0.238	S	C	.	.	H	α-helix	trans	-72	-37	-175.2	-169.6	56.8	-149.4	0	0	111.6	D86 Y91 S92	D86-E88 VanDerWaalsContact C-N 3.25Å; D86-E88 PolarHBondContact O-N 3.18Å; D86-E88 WeakPolarHBondContact OD1-CB 3.16Å; D86-E88 PolarHBondContact OD1-N 3.03Å; E88-Y91 PolarHBondContact O-N 3.47Å; E88-S92 WeakPolarHBondContact O-CB 3.37Å; E88-S92 PolarHBondContact O-N 2.82Å; E88-S92 PolarHBondContact O-OG 2.89Å
89	A	89.2	Confident	87.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-46.2	174	0	0	0	0	0	111.8	K79 V80 D86 L93	K79-A89 HydrophobicContact CB-CB 4.42Å; K79-A89 HydrophobicContact CD-CB 3.78Å; K79-A89 HydrophobicContact CG-CB 3.87Å; V80-A89 VanDerWaalsContact CG2-C 3.48Å; V80-A89 HydrophobicContact CG2-CB 3.8Å; V80-A89 WeakPolarHBondContact CG2-O 3.2Å; D86-A89 HydrophobicContact CB-CB 3.89Å; D86-A89 PolarHBondContact O-N 3.04Å; D86-A89 PolarHBondContact OD1-N 3.07Å; D86-A89 WeakPolarHBondContact OD2-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.37Å; A89-L93 PolarHBondContact O-N 2.95Å; A89-L93 VanDerWaalsContact O-N 3.1Å
90	H	91.1	Very high	87.4	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-43	176.2	-80.1	-87.5	0	0	0	111.6	V80 P84 D86 Y87 L93 V94 L113	V80-H90 WeakPolarHBondContact CG1-CE1 3.38Å; P84-H90 PolarHBondContact O-NE2 3.26Å; D86-H90 PolarHBondContact O-CD2 3.37Å; D86-H90 VanDerWaalsContact O-CD2 3.29Å; D86-H90 PolarHBondContact O-N 2.92Å; Y87-H90 PolarHBondContact O-N 2.89Å; H90-L93 PolarHBondContact O-N 3.26Å; H90-V94 WeakPolarHBondContact O-CG2 3.37Å; H90-V94 PolarHBondContact O-N 2.66Å; H90-L113 HydrophobicContact CB-CB 4.31Å; H90-L113 HydrophobicContact CB-CD1 3.58Å; H90-L113 HydrophobicContact CB-CG 4.36Å
91	Y	89.8	Confident	87.3	Confident	83 Å²	83	47 Å²	47	33%	0.325	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-48	179.7	-175.8	-114.2	0	0	0	112.1	Y87 E88 L93 V94 S95 E123	Y87-Y91 WeakPolarHBondContact O-CB 3.38Å; Y87-Y91 PolarHBondContact O-N 2.96Å; E88-Y91 PolarHBondContact O-N 3.47Å; Y91-L93 VanDerWaalsContact C-N 3.28Å; Y91-L93 PolarHBondContact O-N 3.28Å; Y91-V94 PolarHBondContact O-N 2.69Å; Y91-S95 WeakPolarHBondContact O-CB 3.33Å; Y91-S95 PolarHBondContact O-N 3.47Å; Y91-E123 HydrophobicContact CD2-CG 4.4Å; Y91-E123 HydrophobicContact CE2-CG 3.96Å; Y91-E123 WeakPolarHBondContact CE2-OE1 3.49Å; Y91-E123 PolarHBondContact OH-OE1 3.27Å
92	S	90.7	Very high	87.2	Confident	37 Å²	37	45.1 Å²	45.1	26%	0.259	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-41.8	175.8	-65.4	0	0	0	0	111.7	E88 A96	E88-S92 WeakPolarHBondContact O-CB 3.37Å; E88-S92 PolarHBondContact O-N 2.82Å; E88-S92 PolarHBondContact O-OG 2.89Å; S92-A96 VanDerWaalsContact O-CB 3.29Å; S92-A96 WeakPolarHBondContact O-CB 3.42Å; S92-A96 PolarHBondContact O-N 3.32Å
93	L	92.2	Very high	87.3	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-43	177.7	-176.4	64.6	0	0	0	112.4	L73 L76 E77 V80 A89 H90 Y91 A96 Y97 A109	L73-L93 HydrophobicContact CD2-CD1 4.4Å; L76-L93 HydrophobicContact CB-CB 4.37Å; L76-L93 HydrophobicContact CB-CD1 3.84Å; E77-L93 HydrophobicContact CG-CD1 3.82Å; E77-L93 HydrophobicContact CG-CD2 4.35Å; V80-L93 HydrophobicContact CB-CD2 4.35Å; V80-L93 HydrophobicContact CG2-CB 4.26Å; V80-L93 HydrophobicContact CG2-CD2 3.94Å; A89-L93 WeakPolarHBondContact O-CB 3.37Å; A89-L93 PolarHBondContact O-N 2.95Å; A89-L93 VanDerWaalsContact O-N 3.1Å; H90-L93 PolarHBondContact O-N 3.26Å; Y91-L93 VanDerWaalsContact C-N 3.28Å; Y91-L93 PolarHBondContact O-N 3.28Å; L93-A96 PolarHBondContact O-N 2.87Å; L93-Y97 HydrophobicContact CD1-CD2 3.9Å; L93-Y97 HydrophobicContact CD1-CE2 3.48Å; L93-Y97 VanDerWaalsContact CD1-CE2 3.48Å; L93-Y97 HydrophobicContact CD2-CE2 4.26Å; L93-Y97 HydrophobicContact CG-CD2 3.9Å; L93-Y97 HydrophobicContact CG-CE2 3.77Å; L93-Y97 WeakPolarHBondContact O-CD2 3.46Å; L93-Y97 PolarHBondContact O-N 2.63Å; L93-A109 HydrophobicContact CD2-CB 4.46Å
94	V	92.1	Very high	87.7	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-45.1	176.8	168.5	0	0	0	0	110.8	H90 Y91 A96 Y97 R98 L106 A109 R110	H90-V94 WeakPolarHBondContact O-CG2 3.37Å; H90-V94 PolarHBondContact O-N 2.66Å; Y91-V94 PolarHBondContact O-N 2.69Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 3.35Å; V94-Y97 PolarHBondContact O-N 2.83Å; V94-R98 WeakPolarHBondContact O-CB 3.48Å; V94-R98 PolarHBondContact O-N 2.8Å; V94-L106 HydrophobicContact CG1-CD1 3.81Å; V94-L106 WeakPolarHBondContact O-CD1 3.49Å; V94-A109 HydrophobicContact CG2-CB 4.11Å; V94-R110 HydrophobicContact CG1-CG 3.95Å; V94-R110 HydrophobicContact CG2-CG 4.09Å
95	S	90	Very high	88.1	Confident	61 Å²	61	56.5 Å²	56.5	43%	0.427	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-46.6	175.8	-174.8	0	0	0	0	111.1	Y91 Y97 R98 S99	Y91-S95 WeakPolarHBondContact O-CB 3.33Å; Y91-S95 PolarHBondContact O-N 3.47Å; S95-Y97 PolarHBondContact O-N 2.9Å; S95-R98 WeakPolarHBondContact O-CB 3.49Å; S95-R98 PolarHBondContact O-N 3.46Å; S95-S99 PolarHBondContact O-N 2.94Å; S95-S99 PolarHBondContact O-OG 3.12Å
96	A	89.6	Confident	88.7	Confident	2 Å²	2	55 Å²	55	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-43.5	178.9	0	0	0	0	0	113.1	I68 L73 L76 S92 L93 V94 R98 S99 C100	I68-A96 VanDerWaalsContact CD1-CA 3.5Å; I68-A96 HydrophobicContact CD1-CB 3.43Å; I68-A96 VanDerWaalsContact CD1-CB 3.43Å; I68-A96 HydrophobicContact CG2-CB 4.45Å; L73-A96 HydrophobicContact CD2-CB 3.77Å; L76-A96 HydrophobicContact CD1-CB 3.93Å; S92-A96 VanDerWaalsContact O-CB 3.29Å; S92-A96 WeakPolarHBondContact O-CB 3.42Å; S92-A96 PolarHBondContact O-N 3.32Å; L93-A96 PolarHBondContact O-N 2.87Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 3.35Å; A96-R98 VanDerWaalsContact C-N 3.29Å; A96-R98 PolarHBondContact O-N 2.95Å; A96-S99 PolarHBondContact O-N 2.8Å; A96-S99 PolarHBondContact O-OG 2.98Å; A96-C100 PolarHBondContact O-N 3.28Å; A96-C100 PolarHBondContact O-SG 3.06Å
97	Y	92	Very high	89.1	Confident	10 Å²	10	56.8 Å²	56.8	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-32.8	176.3	-81.8	-46.6	0	0	0	113.3	L73 E77 L93 V94 S95 G101 E102 K105 A109	L73-Y97 HydrophobicContact CD1-CE1 4.43Å; L73-Y97 HydrophobicContact CD2-CD1 4.01Å; L73-Y97 HydrophobicContact CD2-CE1 3.78Å; E77-Y97 VanDerWaalsContact CD-OH 3.28Å; E77-Y97 PolarHBondContact OE1-OH 3.29Å; L93-Y97 HydrophobicContact CD1-CD2 3.9Å; L93-Y97 HydrophobicContact CD1-CE2 3.48Å; L93-Y97 VanDerWaalsContact CD1-CE2 3.48Å; L93-Y97 HydrophobicContact CD2-CE2 4.26Å; L93-Y97 HydrophobicContact CG-CD2 3.9Å; L93-Y97 HydrophobicContact CG-CE2 3.77Å; L93-Y97 WeakPolarHBondContact O-CD2 3.46Å; L93-Y97 PolarHBondContact O-N 2.63Å; V94-Y97 PolarHBondContact O-N 2.83Å; S95-Y97 PolarHBondContact O-N 2.9Å; Y97-G101 PolarHBondContact O-N 3.31Å; Y97-E102 HydrophobicContact CD1-CB 3.93Å; Y97-E102 PolarHBondContact O-N 2.71Å; Y97-K105 HydrophobicContact CD1-CB 3.72Å; Y97-K105 HydrophobicContact CD1-CD 4.1Å; Y97-K105 HydrophobicContact CD2-CB 4.21Å; Y97-K105 HydrophobicContact CE1-CB 3.63Å; Y97-K105 HydrophobicContact CE1-CD 3.4Å; Y97-K105 HydrophobicContact CE1-CG 4.17Å; Y97-K105 HydrophobicContact CE2-CB 4.08Å; Y97-K105 HydrophobicContact CG-CB 4.04Å; Y97-A109 HydrophobicContact CD2-CB 3.89Å; Y97-A109 HydrophobicContact CE2-CB 4.31Å
98	R	90.2	Very high	89.4	Confident	125 Å²	125	61.7 Å²	61.7	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-68.7	-43.6	175.4	-168.6	174.2	-175	-96.4	-4	111.6	V94 S95 A96 C100 G101 L106 D130	V94-R98 WeakPolarHBondContact O-CB 3.48Å; V94-R98 PolarHBondContact O-N 2.8Å; S95-R98 WeakPolarHBondContact O-CB 3.49Å; S95-R98 PolarHBondContact O-N 3.46Å; A96-R98 VanDerWaalsContact C-N 3.29Å; A96-R98 PolarHBondContact O-N 2.95Å; R98-C100 VanDerWaalsContact C-N 3.32Å; R98-C100 PolarHBondContact O-N 3.08Å; R98-G101 PolarHBondContact O-N 2.93Å; R98-L106 HydrophobicContact CB-CD1 4.06Å; R98-L106 HydrophobicContact CB-CD2 4.07Å; R98-L106 HydrophobicContact CG-CD2 4.17Å; R98-D130 IonicContact CZ-OD1 3.74Å; R98-D130 IonicContact CZ-OD2 3.86Å; R98-D130 IonicContact NE-OD1 3.68Å; R98-D130 PolarHBondContact NE-OD1 3.1Å; R98-D130 IonicContact NE-OD2 2.71Å; R98-D130 PolarHBondContact NE-OD2 3.32Å; R98-D130 IonicContact NH2-OD1 3.64Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å
99	S	85.7	Confident	89.7	Confident	79 Å²	79	57 Å²	57	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-66.2	-33	176.9	61.1	0	0	0	0	112.7	I68 S95 A96 G101	I68-S99 WeakPolarHBondContact CD1-OG 3.45Å; S95-S99 PolarHBondContact O-N 2.94Å; S95-S99 PolarHBondContact O-OG 3.12Å; A96-S99 PolarHBondContact O-N 2.8Å; A96-S99 PolarHBondContact O-OG 2.98Å; S99-G101 VanDerWaalsContact C-N 3.32Å; S99-G101 PolarHBondContact O-N 3.47Å
100	C	84.8	Confident	89.9	Confident	53 Å²	53	57.3 Å²	57.3	36%	0.358	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.2	176.2	-64.3	0	0	0	0	114.4	A96 R98 E102	A96-C100 PolarHBondContact O-N 3.28Å; A96-C100 PolarHBondContact O-SG 3.06Å; R98-C100 VanDerWaalsContact C-N 3.32Å; R98-C100 PolarHBondContact O-N 3.08Å; C100-E102 HydrophobicContact CB-CG 4.08Å; C100-E102 PolarHBondContact O-N 3.33Å
101	G	84.2	Confident	89.9	Confident	49 Å²	49	61.5 Å²	61.5	51%	0.505	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	18.2	-177.2	0	0	0	0	0	114.9	Y97 R98 S99 L103	Y97-G101 PolarHBondContact O-N 3.31Å; R98-G101 PolarHBondContact O-N 2.93Å; S99-G101 VanDerWaalsContact C-N 3.32Å; S99-G101 PolarHBondContact O-N 3.47Å; G101-L103 VanDerWaalsContact C-N 3.33Å; G101-L103 PolarHBondContact O-N 2.89Å
102	E	86.3	Confident	90	Very high	83 Å²	83	60.9 Å²	60.9	39%	0.388	31%	0.311	S	S	.	.			trans	-82.5	72.5	-178.1	-74.5	-84.2	-171.4	0	0	110.8	Y97 C100 E104 K105 L106	Y97-E102 HydrophobicContact CD1-CB 3.93Å; Y97-E102 PolarHBondContact O-N 2.71Å; C100-E102 HydrophobicContact CB-CG 4.08Å; C100-E102 PolarHBondContact O-N 3.33Å; E102-E104 PolarHBondContact O-N 2.88Å; E102-K105 HydrophobicContact CB-CB 4.23Å; E102-K105 HydrophobicContact CB-CD 4.23Å; E102-K105 HydrophobicContact CB-CG 4.49Å; E102-K105 HydrophobicContact CG-CD 4.47Å; E102-K105 PolarHBondContact O-N 3.12Å; E102-K105 VanDerWaalsContact O-N 3.16Å; E102-K105 IonicContact OE1-NZ 2.73Å; E102-K105 IonicContact OE2-NZ 3.21Å; E102-L106 WeakPolarHBondContact O-CB 3.24Å; E102-L106 PolarHBondContact O-N 3Å
103	L	87.3	Confident	89.9	Confident	100 Å²	100	59.5 Å²	59.5	52%	0.524	30%	0.301	S	S	.	.	H	α-helix	trans	-56.7	-41.1	-167.4	-59.9	-179.8	0	0	0	114.7	G101 R107 V134	G101-L103 VanDerWaalsContact C-N 3.33Å; G101-L103 PolarHBondContact O-N 2.89Å; L103-R107 WeakPolarHBondContact O-CB 3.22Å; L103-R107 PolarHBondContact O-N 2.91Å; L103-V134 HydrophobicContact CD1-CG2 4.06Å
104	E	88.2	Confident	89.9	Confident	176 Å²	176	62 Å²	62	82%	0.822	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-42.4	179.5	-69.1	-172.6	173.7	0	0	111.8	E102 R107 F108	E102-E104 PolarHBondContact O-N 2.88Å; E104-R107 PolarHBondContact O-N 3.4Å; E104-F108 PolarHBondContact O-N 2.92Å
105	K	91.1	Very high	89.6	Confident	90 Å²	90	68.8 Å²	68.8	39%	0.391	34%	0.341	S	S	.	.	H	α-helix	trans	-70	-39.4	177.8	-61.4	-178.6	-172.8	161.2	0	111.3	Y97 E102 R107 F108 A109	Y97-K105 HydrophobicContact CD1-CB 3.72Å; Y97-K105 HydrophobicContact CD1-CD 4.1Å; Y97-K105 HydrophobicContact CD2-CB 4.21Å; Y97-K105 HydrophobicContact CE1-CB 3.63Å; Y97-K105 HydrophobicContact CE1-CD 3.4Å; Y97-K105 HydrophobicContact CE1-CG 4.17Å; Y97-K105 HydrophobicContact CE2-CB 4.08Å; Y97-K105 HydrophobicContact CG-CB 4.04Å; E102-K105 HydrophobicContact CB-CB 4.23Å; E102-K105 HydrophobicContact CB-CD 4.23Å; E102-K105 HydrophobicContact CB-CG 4.49Å; E102-K105 HydrophobicContact CG-CD 4.47Å; E102-K105 PolarHBondContact O-N 3.12Å; E102-K105 VanDerWaalsContact O-N 3.16Å; E102-K105 IonicContact OE1-NZ 2.73Å; E102-K105 IonicContact OE2-NZ 3.21Å; K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 3.46Å; K105-F108 PolarHBondContact O-N 3.26Å; K105-A109 WeakPolarHBondContact O-CB 3.4Å; K105-A109 PolarHBondContact O-N 3.42Å
106	L	91.8	Very high	89.3	Confident	7 Å²	7	70.2 Å²	70.2	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-56.5	-48.4	172.4	177.4	60.7	0	0	0	111	V94 R98 E102 F108 A109 R110	V94-L106 HydrophobicContact CG1-CD1 3.81Å; V94-L106 WeakPolarHBondContact O-CD1 3.49Å; R98-L106 HydrophobicContact CB-CD1 4.06Å; R98-L106 HydrophobicContact CB-CD2 4.07Å; R98-L106 HydrophobicContact CG-CD2 4.17Å; E102-L106 WeakPolarHBondContact O-CB 3.24Å; E102-L106 PolarHBondContact O-N 3Å; L106-F108 PolarHBondContact O-N 3.49Å; L106-A109 PolarHBondContact O-N 3.21Å; L106-R110 HydrophobicContact CD1-CG 4.29Å; L106-R110 WeakPolarHBondContact O-CB 3.2Å; L106-R110 WeakPolarHBondContact O-CG 3.08Å; L106-R110 PolarHBondContact O-N 2.74Å
107	R	91.9	Very high	89.1	Confident	85 Å²	85	70.3 Å²	70.3	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-43.4	177.9	-171.5	179.6	-76.6	169.7	2.7	111.2	L103 E104 K105 R110 Q111 E131	L103-R107 WeakPolarHBondContact O-CB 3.22Å; L103-R107 PolarHBondContact O-N 2.91Å; E104-R107 PolarHBondContact O-N 3.4Å; K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 3.46Å; R107-R110 PolarHBondContact O-N 3.27Å; R107-Q111 WeakPolarHBondContact O-CB 3.44Å; R107-Q111 VanDerWaalsContact O-CG 3.27Å; R107-Q111 WeakPolarHBondContact O-CG 3.47Å; R107-Q111 PolarHBondContact O-N 3.37Å; R107-E131 IonicContact CZ-OE1 2.76Å; R107-E131 IonicContact CZ-OE2 3.65Å; R107-E131 IonicContact NE-OE1 3.39Å; R107-E131 PolarHBondContact NE-OE1 3.25Å; R107-E131 VanDerWaalsContact NE-OE1 3.13Å; R107-E131 IonicContact NE-OE2 3.51Å; R107-E131 PolarHBondContact NE-OE2 2.78Å; R107-E131 IonicContact NH2-OE1 3.84Å; R107-E131 IonicContact NH2-OE2 2.91Å; R107-E131 PolarHBondContact NH2-OE2 3.37Å
108	F	92	Very high	89	Confident	135 Å²	135	69.9 Å²	69.9	59%	0.592	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-44.1	176.3	-175.5	-100.1	0	0	0	112.5	E104 K105 L106 R110 Q111 R112	E104-F108 PolarHBondContact O-N 2.92Å; K105-F108 PolarHBondContact O-N 3.26Å; L106-F108 PolarHBondContact O-N 3.49Å; F108-R110 PolarHBondContact O-N 3.06Å; F108-Q111 PolarHBondContact O-N 3.48Å; F108-R112 WeakPolarHBondContact O-CB 3.45Å; F108-R112 PolarHBondContact O-N 3Å
109	A	92.5	Very high	88.9	Confident	5 Å²	5	64.2 Å²	64.2	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-44.3	177.4	0	0	0	0	0	111.6	L93 V94 Y97 K105 L106 R112 L113	L93-A109 HydrophobicContact CD2-CB 4.46Å; V94-A109 HydrophobicContact CG2-CB 4.11Å; Y97-A109 HydrophobicContact CD2-CB 3.89Å; Y97-A109 HydrophobicContact CE2-CB 4.31Å; K105-A109 WeakPolarHBondContact O-CB 3.4Å; K105-A109 PolarHBondContact O-N 3.42Å; L106-A109 PolarHBondContact O-N 3.21Å; A109-R112 PolarHBondContact O-N 2.92Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 PolarHBondContact O-N 3.36Å
110	R	93.8	Very high	88.9	Confident	8 Å²	8	64.8 Å²	64.8	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-42.6	175.4	-76.3	173.3	160.2	163.8	1.1	112.9	V94 L106 R107 F108 R112 L113 R114 W127 D130	V94-R110 HydrophobicContact CG1-CG 3.95Å; V94-R110 HydrophobicContact CG2-CG 4.09Å; L106-R110 HydrophobicContact CD1-CG 4.29Å; L106-R110 WeakPolarHBondContact O-CB 3.2Å; L106-R110 WeakPolarHBondContact O-CG 3.08Å; L106-R110 PolarHBondContact O-N 2.74Å; R107-R110 PolarHBondContact O-N 3.27Å; F108-R110 PolarHBondContact O-N 3.06Å; R110-R112 VanDerWaalsContact C-N 3.33Å; R110-R112 PolarHBondContact O-N 3.36Å; R110-L113 PolarHBondContact O-N 3.27Å; R110-R114 WeakPolarHBondContact O-CB 3.42Å; R110-R114 PolarHBondContact O-N 3.21Å; R110-W127 HydrophobicContact CB-CD2 3.98Å; R110-W127 HydrophobicContact CB-CE3 3.93Å; R110-W127 HydrophobicContact CB-CH2 3.64Å; R110-W127 HydrophobicContact CB-CZ2 3.63Å; R110-W127 HydrophobicContact CB-CZ3 3.79Å; R110-W127 HydrophobicContact CG-CD2 4.16Å; R110-W127 HydrophobicContact CG-CE3 4.23Å; R110-D130 IonicContact CZ-OD2 4Å; R110-D130 VanDerWaalsContact CZ-OD2 3.23Å; R110-D130 IonicContact NH1-OD2 3.54Å; R110-D130 PolarHBondContact NH1-OD2 3.42Å; R110-D130 IonicContact NH2-OD2 3.48Å; R110-D130 PolarHBondContact NH2-OD2 3.16Å
111	Q	92.2	Very high	89.1	Confident	90 Å²	90	63.2 Å²	63.2	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-41.9	174	-74.3	175.5	1	0	0	111.6	R107 F108 R114 Q115 W127	R107-Q111 WeakPolarHBondContact O-CB 3.44Å; R107-Q111 VanDerWaalsContact O-CG 3.27Å; R107-Q111 WeakPolarHBondContact O-CG 3.47Å; R107-Q111 PolarHBondContact O-N 3.37Å; F108-Q111 PolarHBondContact O-N 3.48Å; Q111-R114 PolarHBondContact O-N 2.92Å; Q111-Q115 VanDerWaalsContact O-CG 3.23Å; Q111-Q115 WeakPolarHBondContact O-CG 3.49Å; Q111-Q115 PolarHBondContact O-N 3.46Å; Q111-W127 HydrophobicContact CG-CZ2 4.49Å
112	R	90.4	Very high	89.3	Confident	71 Å²	71	66.1 Å²	66.1	27%	0.268	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-43.7	176.8	-173.4	179.7	175.9	166.1	-1.7	111.9	E81 F108 A109 R110 Q115 R116	E81-R112 VanDerWaalsContact CG-NH2 3.33Å; E81-R112 IonicContact OE1-NH1 3.96Å; F108-R112 WeakPolarHBondContact O-CB 3.45Å; F108-R112 PolarHBondContact O-N 3Å; A109-R112 PolarHBondContact O-N 2.92Å; R110-R112 VanDerWaalsContact C-N 3.33Å; R110-R112 PolarHBondContact O-N 3.36Å; R112-Q115 PolarHBondContact O-N 2.85Å; R112-R116 PolarHBondContact O-N 3.18Å
113	L	90.6	Very high	89.4	Confident	8 Å²	8	63.9 Å²	63.9	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-55.9	-56.3	172.9	167.9	63.7	0	0	0	109.8	H90 A109 R110 Q115 R116 L117 V119	H90-L113 HydrophobicContact CB-CB 4.31Å; H90-L113 HydrophobicContact CB-CD1 3.58Å; H90-L113 HydrophobicContact CB-CG 4.36Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 PolarHBondContact O-N 3.36Å; R110-L113 PolarHBondContact O-N 3.27Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 3.31Å; L113-R116 PolarHBondContact O-N 3.39Å; L113-L117 HydrophobicContact CD1-CB 3.84Å; L113-L117 HydrophobicContact CD1-CD1 3.99Å; L113-L117 HydrophobicContact CD1-CG 4.47Å; L113-L117 PolarHBondContact O-N 2.86Å; L113-L117 VanDerWaalsContact O-O 3.11Å; L113-V119 HydrophobicContact CD2-CG2 4.29Å; L113-V119 HydrophobicContact CG-CG2 4.37Å
114	R	91	Very high	89.7	Confident	60 Å²	60	59.3 Å²	59.3	23%	0.226	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-36.1	-176.9	-174	179	175	-121.4	-6.6	113.1	R110 Q111 R116 L117 V119 W127 D147 E151 R350	R110-R114 WeakPolarHBondContact O-CB 3.42Å; R110-R114 PolarHBondContact O-N 3.21Å; Q111-R114 PolarHBondContact O-N 2.92Å; R114-R116 PolarHBondContact O-N 3.49Å; R114-L117 CarbonylContact C-O 3.54Å; R114-L117 WeakPolarHBondContact CA-O 3.25Å; R114-V119 HydrophobicContact CB-CG2 4.12Å; R114-V119 HydrophobicContact CG-CG2 4.37Å; R114-W127 HydrophobicContact CB-CH2 4.34Å; R114-W127 HydrophobicContact CB-CZ3 4.21Å; R114-D147 IonicContact CZ-OD2 2.79Å; R114-D147 VanDerWaalsContact CZ-OD2 3.24Å; R114-D147 IonicContact NH1-OD2 3.58Å; R114-D147 PolarHBondContact NH1-OD2 3.47Å; R114-D147 IonicContact NH2-OD1 2.94Å; R114-D147 IonicContact NH2-OD2 3.36Å; R114-D147 PolarHBondContact NH2-OD2 3.08Å; R114-D147 VanDerWaalsContact NH2-OD2 3.1Å; R114-E151 IonicContact CZ-OE1 2.88Å; R114-E151 IonicContact NE-OE1 2.98Å; R114-E151 PolarHBondContact NE-OE1 3.32Å; R114-E151 IonicContact NH2-OE1 2.71Å; R114-R350 PolarHBondContact O-NH2 3.23Å
115	Q	86.9	Confident	89.9	Confident	147 Å²	147	51.8 Å²	51.8	69%	0.687	23%	0.228	S	C	*	.	H	α-helix	trans	-61.9	-29	177.6	-78.2	171.6	12.5	0	0	113	Q111 R112 L113	Q111-Q115 VanDerWaalsContact O-CG 3.23Å; Q111-Q115 WeakPolarHBondContact O-CG 3.49Å; Q111-Q115 PolarHBondContact O-N 3.46Å; R112-Q115 PolarHBondContact O-N 2.85Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 3.31Å
116	R	83	Confident	90	Very high	91 Å²	91	49.4 Å²	49.4	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-105.6	-41.5	-173.4	-65.2	-67	-177.3	168.9	-7	113	R112 L113 R114 E385	R112-R116 PolarHBondContact O-N 3.18Å; L113-R116 PolarHBondContact O-N 3.39Å; R114-R116 PolarHBondContact O-N 3.49Å; R116-E385 IonicContact CZ-OE2 3.29Å; R116-E385 IonicContact NH1-OE2 2.8Å; R116-E385 PolarHBondContact NH1-OE2 3.45Å; R116-E385 IonicContact NH2-OE2 3.18Å
117	L	86.2	Confident	90.1	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-129.1	151.7	-171.7	-63	172.3	0	0	0	109.9	F85 Y87 L113 R114 P353	F85-L117 HydrophobicContact CB-CD2 4.41Å; F85-L117 HydrophobicContact CD1-CD2 4.2Å; Y87-L117 HydrophobicContact CD2-CB 4.4Å; Y87-L117 HydrophobicContact CD2-CD1 4.11Å; Y87-L117 HydrophobicContact CG-CD1 4.48Å; L113-L117 HydrophobicContact CD1-CB 3.84Å; L113-L117 HydrophobicContact CD1-CD1 3.99Å; L113-L117 HydrophobicContact CD1-CG 4.47Å; L113-L117 PolarHBondContact O-N 2.86Å; L113-L117 VanDerWaalsContact O-O 3.11Å; R114-L117 CarbonylContact C-O 3.54Å; R114-L117 WeakPolarHBondContact CA-O 3.25Å; L117-P353 HydrophobicContact CD2-CG 3.8Å
118	P	88.2	Confident	90.1	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.013	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-67.7	155	169.5	28.5	-32.4	0	0	0	110.2	Y87 E151 R350 F351	Y87-P118 VanDerWaalsContact CE2-O 3.26Å; Y87-P118 WeakPolarHBondContact CE2-O 3.38Å; P118-E151 WeakPolarHBondContact CA-OE2 3.33Å; P118-R350 VanDerWaalsContact CD-O 3.25Å; P118-R350 WeakPolarHBondContact CD-O 3.47Å; P118-F351 HydrophobicContact CB-CD1 3.97Å; P118-F351 HydrophobicContact CB-CD2 4.3Å; P118-F351 HydrophobicContact CB-CE1 3.48Å; P118-F351 VanDerWaalsContact CB-CE1 3.48Å; P118-F351 HydrophobicContact CB-CE2 3.84Å; P118-F351 HydrophobicContact CB-CG 4.35Å; P118-F351 HydrophobicContact CB-CZ 3.37Å; P118-F351 HydrophobicContact CG-CB 4.46Å; P118-F351 HydrophobicContact CG-CD1 3.33Å; P118-F351 HydrophobicContact CG-CD2 4.18Å; P118-F351 HydrophobicContact CG-CE1 3.34Å; P118-F351 HydrophobicContact CG-CE2 4.18Å; P118-F351 HydrophobicContact CG-CG 3.76Å; P118-F351 HydrophobicContact CG-CZ 3.76Å
119	V	88.4	Confident	90.2	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.03	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-101.6	130.7	177.2	-174	0	0	0	0	109	L113 R114 E123 C124 W127 F148	L113-V119 HydrophobicContact CD2-CG2 4.29Å; L113-V119 HydrophobicContact CG-CG2 4.37Å; R114-V119 HydrophobicContact CB-CG2 4.12Å; R114-V119 HydrophobicContact CG-CG2 4.37Å; V119-E123 HydrophobicContact CG1-CB 3.7Å; V119-C124 VanDerWaalsContact CG1-SG 3.5Å; V119-W127 HydrophobicContact CG2-CZ3 4.36Å; V119-F148 HydrophobicContact CB-CE1 4.38Å; V119-F148 HydrophobicContact CG2-CE1 4.41Å
120	K	87	Confident	90.2	Very high	92 Å²	92	46.7 Å²	46.7	40%	0.4	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-61	149	174.7	-76.6	171.7	-174.8	-176	0	111	Y87 E122 E123 C124	Y87-K120 HydrophobicContact CE1-CD 4.03Å; Y87-K120 HydrophobicContact CE1-CG 4.48Å; Y87-K120 VanDerWaalsContact OH-CG 3.24Å; Y87-K120 WeakPolarHBondContact OH-CG 3.24Å; Y87-K120 PolarHBondContact OH-N 3.48Å; Y87-K120 VanDerWaalsContact OH-N 3.13Å; K120-E122 VanDerWaalsContact C-N 3.29Å; K120-E122 PolarHBondContact O-N 3.18Å; K120-E123 HydrophobicContact CB-CG 4.43Å; K120-E123 PolarHBondContact O-N 3.49Å; K120-E123 VanDerWaalsContact O-N 3.11Å; K120-C124 PolarHBondContact O-N 3.44Å; K120-C124 PolarHBondContact O-SG 3.02Å
121	T	88.1	Confident	90.1	Very high	19 Å²	19	46.9 Å²	46.9	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-50.8	-46.9	-176.7	-68.8	0	0	0	0	112.7	E123 C124 I125 S155 L157 L158	T121-E123 VanDerWaalsContact C-N 3.31Å; T121-E123 PolarHBondContact O-N 2.87Å; T121-C124 WeakPolarHBondContact O-CB 3.33Å; T121-C124 PolarHBondContact O-N 3.25Å; T121-I125 HydrophobicContact CG2-CD1 4.18Å; T121-I125 WeakPolarHBondContact O-CG1 3.38Å; T121-I125 PolarHBondContact O-N 2.93Å; T121-I125 VanDerWaalsContact O-N 3.16Å; T121-S155 WeakPolarHBondContact CG2-OG 3.47Å; T121-S155 PolarHBondContact OG1-OG 3.27Å; T121-L157 HydrophobicContact CG2-CB 4.09Å; T121-L157 HydrophobicContact CG2-CD1 4.26Å; T121-L158 HydrophobicContact CG2-CG 4.32Å
122	E	88.2	Confident	90.1	Very high	110 Å²	110	46 Å²	46	51%	0.514	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-41.7	-176.1	-60	68.7	-144.9	0	0	110.4	K120 I125 V126	K120-E122 VanDerWaalsContact C-N 3.29Å; K120-E122 PolarHBondContact O-N 3.18Å; E122-I125 PolarHBondContact O-N 3.4Å; E122-V126 WeakPolarHBondContact O-CG2 3.2Å; E122-V126 PolarHBondContact O-N 3Å
123	E	89.8	Confident	90	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-71.5	-33.1	179.2	-63.4	-54.5	144.7	0	0	112.8	Y91 V119 K120 T121 I125 V126 W127	Y91-E123 HydrophobicContact CD2-CG 4.4Å; Y91-E123 HydrophobicContact CE2-CG 3.96Å; Y91-E123 WeakPolarHBondContact CE2-OE1 3.49Å; Y91-E123 PolarHBondContact OH-OE1 3.27Å; V119-E123 HydrophobicContact CG1-CB 3.7Å; K120-E123 HydrophobicContact CB-CG 4.43Å; K120-E123 PolarHBondContact O-N 3.49Å; K120-E123 VanDerWaalsContact O-N 3.11Å; T121-E123 VanDerWaalsContact C-N 3.31Å; T121-E123 PolarHBondContact O-N 2.87Å; E123-I125 VanDerWaalsContact C-N 3.33Å; E123-V126 PolarHBondContact O-N 3.17Å; E123-W127 VanDerWaalsContact O-CB 3.29Å; E123-W127 WeakPolarHBondContact O-CB 3.47Å; E123-W127 PolarHBondContact O-N 3.24Å
124	C	92.7	Very high	89.9	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-45.1	171.1	-66.8	0	0	0	0	111	V119 K120 T121 W127 I128 F148 L158	V119-C124 VanDerWaalsContact CG1-SG 3.5Å; K120-C124 PolarHBondContact O-N 3.44Å; K120-C124 PolarHBondContact O-SG 3.02Å; T121-C124 WeakPolarHBondContact O-CB 3.33Å; T121-C124 PolarHBondContact O-N 3.25Å; C124-W127 PolarHBondContact O-N 2.98Å; C124-I128 WeakPolarHBondContact O-CD1 3.37Å; C124-I128 WeakPolarHBondContact O-CG1 3.46Å; C124-I128 PolarHBondContact O-N 3.05Å; C124-F148 HydrophobicContact CB-CB 4.39Å; C124-F148 HydrophobicContact CB-CD1 4.3Å; C124-F148 HydrophobicContact CB-CD2 3.54Å; C124-F148 HydrophobicContact CB-CE1 4.48Å; C124-F148 HydrophobicContact CB-CE2 3.72Å; C124-F148 HydrophobicContact CB-CG 3.86Å; C124-F148 HydrophobicContact CB-CZ 4.22Å; C124-F148 WeakPolarHBondContact SG-CD1 3.29Å; C124-F148 VanDerWaalsContact SG-CG 3.53Å; C124-L158 HydrophobicContact CB-CD1 4.25Å; C124-L158 HydrophobicContact CB-CD2 3.8Å
125	I	92.1	Very high	89.8	Confident	18 Å²	18	50.5 Å²	50.5	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-46.5	179.9	-65	167.4	0	0	0	110.4	T121 E122 E123 W127 I128 R129 L157 L158 E161	T121-I125 HydrophobicContact CG2-CD1 4.18Å; T121-I125 WeakPolarHBondContact O-CG1 3.38Å; T121-I125 PolarHBondContact O-N 2.93Å; T121-I125 VanDerWaalsContact O-N 3.16Å; E122-I125 PolarHBondContact O-N 3.4Å; E123-I125 VanDerWaalsContact C-N 3.33Å; I125-W127 VanDerWaalsContact C-N 3.3Å; I125-W127 PolarHBondContact O-N 3.22Å; I125-I128 PolarHBondContact O-N 3.45Å; I125-R129 HydrophobicContact CG2-CG 4.46Å; I125-R129 WeakPolarHBondContact O-CB 3.25Å; I125-R129 WeakPolarHBondContact O-CG 3.24Å; I125-R129 PolarHBondContact O-N 3.08Å; I125-L157 HydrophobicContact CD1-CB 3.68Å; I125-L157 HydrophobicContact CD1-CD1 4.36Å; I125-L158 HydrophobicContact CG1-CD2 3.86Å; I125-E161 HydrophobicContact CD1-CG 4.45Å; I125-E161 HydrophobicContact CG1-CG 4.42Å; I125-E161 HydrophobicContact CG2-CG 4.39Å
126	V	92.4	Very high	89.8	Confident	40 Å²	40	45.5 Å²	45.5	24%	0.242	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-43.8	175.7	175.4	0	0	0	0	110.7	E122 E123 R129 D130	E122-V126 WeakPolarHBondContact O-CG2 3.2Å; E122-V126 PolarHBondContact O-N 3Å; E123-V126 PolarHBondContact O-N 3.17Å; V126-R129 PolarHBondContact O-N 3.3Å; V126-D130 PolarHBondContact O-N 2.72Å
127	W	94.2	Very high	90.3	Very high	13 Å²	13	43.8 Å²	43.8	5%	0.049	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-48.3	176.9	-173.7	0.5	0	0	0	111.8	R110 Q111 R114 V119 E123 C124 I125 R129 D130 E131 L144 F148	R110-W127 HydrophobicContact CB-CD2 3.98Å; R110-W127 HydrophobicContact CB-CE3 3.93Å; R110-W127 HydrophobicContact CB-CH2 3.64Å; R110-W127 HydrophobicContact CB-CZ2 3.63Å; R110-W127 HydrophobicContact CB-CZ3 3.79Å; R110-W127 HydrophobicContact CG-CD2 4.16Å; R110-W127 HydrophobicContact CG-CE3 4.23Å; Q111-W127 HydrophobicContact CG-CZ2 4.49Å; R114-W127 HydrophobicContact CB-CH2 4.34Å; R114-W127 HydrophobicContact CB-CZ3 4.21Å; V119-W127 HydrophobicContact CG2-CZ3 4.36Å; E123-W127 VanDerWaalsContact O-CB 3.29Å; E123-W127 WeakPolarHBondContact O-CB 3.47Å; E123-W127 PolarHBondContact O-N 3.24Å; C124-W127 PolarHBondContact O-N 2.98Å; I125-W127 VanDerWaalsContact C-N 3.3Å; I125-W127 PolarHBondContact O-N 3.22Å; W127-R129 VanDerWaalsContact C-N 3.33Å; W127-R129 PolarHBondContact O-N 3.13Å; W127-D130 PolarHBondContact O-N 3.11Å; W127-E131 PolarHBondContact NE1-OE1 3.49Å; W127-E131 VanDerWaalsContact NE1-OE1 3.12Å; W127-E131 WeakPolarHBondContact O-CG 3.11Å; W127-E131 PolarHBondContact O-N 3.49Å; W127-L144 HydrophobicContact CZ2-CD1 4.43Å; W127-F148 AromaticContact CD2-CZ 3.96Å; W127-F148 HydrophobicContact CD2-CZ 3.96Å; W127-F148 HydrophobicContact CE3-CE1 4.06Å; W127-F148 AromaticContact CE3-CZ 3.45Å; W127-F148 HydrophobicContact CE3-CZ 3.45Å; W127-F148 VanDerWaalsContact CE3-CZ 3.45Å; W127-F148 HydrophobicContact CZ3-CE1 4.02Å; W127-F148 AromaticContact CZ3-CZ 3.81Å; W127-F148 HydrophobicContact CZ3-CZ 3.81Å
128	I	93.5	Very high	90.5	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-45.5	177.8	-72.2	156.2	0	0	0	111.3	C124 I125 D130 E131 L132 L144 F145 F148 L158	C124-I128 WeakPolarHBondContact O-CD1 3.37Å; C124-I128 WeakPolarHBondContact O-CG1 3.46Å; C124-I128 PolarHBondContact O-N 3.05Å; I125-I128 PolarHBondContact O-N 3.45Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.15Å; I128-E131 PolarHBondContact O-N 2.81Å; I128-L132 HydrophobicContact CG2-CD1 3.92Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 WeakPolarHBondContact O-CG 3.29Å; I128-L132 PolarHBondContact O-N 3.11Å; I128-L144 HydrophobicContact CB-CD2 4.47Å; I128-L144 HydrophobicContact CG1-CD2 3.64Å; I128-L144 HydrophobicContact CG1-CG 3.98Å; I128-F145 HydrophobicContact CD1-CD1 3.52Å; I128-F145 HydrophobicContact CD1-CE1 3.5Å; I128-F145 HydrophobicContact CD1-CG 4.13Å; I128-F145 HydrophobicContact CD1-CZ 4.08Å; I128-F145 HydrophobicContact CG1-CE1 4.47Å; I128-F145 HydrophobicContact CG2-CE1 4.17Å; I128-F145 HydrophobicContact CG2-CE2 3.87Å; I128-F145 HydrophobicContact CG2-CZ 3.6Å; I128-F148 HydrophobicContact CD1-CD2 3.76Å; I128-F148 HydrophobicContact CD1-CE2 3.91Å; I128-F148 HydrophobicContact CG1-CD2 4.27Å; I128-F148 HydrophobicContact CG1-CE2 3.94Å; I128-L158 HydrophobicContact CD1-CD2 4.09Å
129	R	92.7	Very high	90.7	Very high	133 Å²	133	55.2 Å²	55.2	50%	0.502	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-41.5	178.6	-72.2	176.8	179.5	179.2	0.3	112	I125 V126 W127 L132 S133 E161	I125-R129 HydrophobicContact CG2-CG 4.46Å; I125-R129 WeakPolarHBondContact O-CB 3.25Å; I125-R129 WeakPolarHBondContact O-CG 3.24Å; I125-R129 PolarHBondContact O-N 3.08Å; V126-R129 PolarHBondContact O-N 3.3Å; W127-R129 VanDerWaalsContact C-N 3.33Å; W127-R129 PolarHBondContact O-N 3.13Å; R129-L132 PolarHBondContact O-N 3.14Å; R129-S133 PolarHBondContact O-N 2.97Å; R129-E161 IonicContact CZ-OE1 2.99Å; R129-E161 IonicContact NE-OE1 2.74Å; R129-E161 IonicContact NH2-OE1 3.44Å; R129-E161 PolarHBondContact NH2-OE1 3.15Å
130	D	92	Very high	90.9	Very high	27 Å²	27	60 Å²	60	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-44.5	175.2	-66.5	-13.9	0	0	0	110.9	R98 R110 V126 W127 I128 L132 S133 V134	R98-D130 IonicContact CZ-OD1 3.74Å; R98-D130 IonicContact CZ-OD2 3.86Å; R98-D130 IonicContact NE-OD1 3.68Å; R98-D130 PolarHBondContact NE-OD1 3.1Å; R98-D130 IonicContact NE-OD2 2.71Å; R98-D130 PolarHBondContact NE-OD2 3.32Å; R98-D130 IonicContact NH2-OD1 3.64Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R110-D130 IonicContact CZ-OD2 4Å; R110-D130 VanDerWaalsContact CZ-OD2 3.23Å; R110-D130 IonicContact NH1-OD2 3.54Å; R110-D130 PolarHBondContact NH1-OD2 3.42Å; R110-D130 IonicContact NH2-OD2 3.48Å; R110-D130 PolarHBondContact NH2-OD2 3.16Å; V126-D130 PolarHBondContact O-N 2.72Å; W127-D130 PolarHBondContact O-N 3.11Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.15Å; D130-L132 PolarHBondContact O-N 3.42Å; D130-S133 PolarHBondContact O-N 3.18Å; D130-S133 VanDerWaalsContact O-N 3.16Å; D130-S133 PolarHBondContact O-OG 2.64Å; D130-V134 WeakPolarHBondContact O-CG2 3.5Å; D130-V134 PolarHBondContact O-N 2.84Å; D130-V134 VanDerWaalsContact O-N 3.13Å
131	E	93.2	Very high	91.2	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.056	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-34	178.9	-64.9	-68.4	178.2	0	0	112.9	R107 W127 I128 S133 V134 G135 L136 I141 L144	R107-E131 IonicContact CZ-OE1 2.76Å; R107-E131 IonicContact CZ-OE2 3.65Å; R107-E131 IonicContact NE-OE1 3.39Å; R107-E131 PolarHBondContact NE-OE1 3.25Å; R107-E131 VanDerWaalsContact NE-OE1 3.13Å; R107-E131 IonicContact NE-OE2 3.51Å; R107-E131 PolarHBondContact NE-OE2 2.78Å; R107-E131 IonicContact NH2-OE1 3.84Å; R107-E131 IonicContact NH2-OE2 2.91Å; R107-E131 PolarHBondContact NH2-OE2 3.37Å; W127-E131 PolarHBondContact NE1-OE1 3.49Å; W127-E131 VanDerWaalsContact NE1-OE1 3.12Å; W127-E131 WeakPolarHBondContact O-CG 3.11Å; W127-E131 PolarHBondContact O-N 3.49Å; I128-E131 PolarHBondContact O-N 2.81Å; E131-S133 VanDerWaalsContact C-N 3.34Å; E131-V134 PolarHBondContact O-N 3.23Å; E131-G135 PolarHBondContact O-N 3.47Å; E131-L136 HydrophobicContact CB-CB 4.26Å; E131-L136 HydrophobicContact CB-CD2 4.04Å; E131-L136 HydrophobicContact CG-CD2 4.33Å; E131-L136 WeakPolarHBondContact O-CB 3.36Å; E131-L136 PolarHBondContact O-N 2.81Å; E131-L136 VanDerWaalsContact O-N 3.14Å; E131-I141 HydrophobicContact CB-CD1 3.77Å; E131-L144 HydrophobicContact CG-CD2 4.22Å
132	L	91.4	Very high	91.5	Very high	71 Å²	71	58 Å²	58	37%	0.372	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-42.4	170.4	-75.7	170.3	0	0	0	111.2	I128 R129 D130 V134 G135 I141	I128-L132 HydrophobicContact CG2-CD1 3.92Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 WeakPolarHBondContact O-CG 3.29Å; I128-L132 PolarHBondContact O-N 3.11Å; R129-L132 PolarHBondContact O-N 3.14Å; D130-L132 PolarHBondContact O-N 3.42Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 2.86Å; L132-G135 PolarHBondContact O-N 3.37Å; L132-G135 VanDerWaalsContact O-N 3.1Å; L132-I141 HydrophobicContact CD2-CD1 3.99Å; L132-I141 HydrophobicContact CD2-CG1 3.97Å; L132-I141 HydrophobicContact CD2-CG2 4.07Å; L132-I141 HydrophobicContact CG-CD1 4.05Å
133	S	89.1	Confident	91.8	Very high	99 Å²	99	58.9 Å²	58.9	69%	0.692	32%	0.316	S	S	*	.	H	α-helix	trans	-65.8	-30.4	179	77.9	0	0	0	0	113.2	R129 D130 E131 G135	R129-S133 PolarHBondContact O-N 2.97Å; D130-S133 PolarHBondContact O-N 3.18Å; D130-S133 VanDerWaalsContact O-N 3.16Å; D130-S133 PolarHBondContact O-OG 2.64Å; E131-S133 VanDerWaalsContact C-N 3.34Å; S133-G135 VanDerWaalsContact C-N 3.29Å
134	V	88.4	Confident	92	Very high	72 Å²	72	58.1 Å²	58.1	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-80.7	-11.3	176.4	178.2	0	0	0	0	112	L103 D130 E131 L132	L103-V134 HydrophobicContact CD1-CG2 4.06Å; D130-V134 WeakPolarHBondContact O-CG2 3.5Å; D130-V134 PolarHBondContact O-N 2.84Å; D130-V134 VanDerWaalsContact O-N 3.13Å; E131-V134 PolarHBondContact O-N 3.23Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 2.86Å
135	G	87.5	Confident	92.2	Very high	62 Å²	62	58 Å²	58	64%	0.639	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	36.8	178	0	0	0	0	0	113.8	E131 L132 S133	E131-G135 PolarHBondContact O-N 3.47Å; L132-G135 PolarHBondContact O-N 3.37Å; L132-G135 VanDerWaalsContact O-N 3.1Å; S133-G135 VanDerWaalsContact C-N 3.29Å
136	L	88.7	Confident	92.3	Very high	43 Å²	43	60.8 Å²	60.8	23%	0.225	32%	0.324	C	S	.	.			trans	-58.4	149.8	174.3	-161.2	71.8	0	0	0	111.3	E131 E140 I141	E131-L136 HydrophobicContact CB-CB 4.26Å; E131-L136 HydrophobicContact CB-CD2 4.04Å; E131-L136 HydrophobicContact CG-CD2 4.33Å; E131-L136 WeakPolarHBondContact O-CB 3.36Å; E131-L136 PolarHBondContact O-N 2.81Å; E131-L136 VanDerWaalsContact O-N 3.14Å; L136-E140 WeakPolarHBondContact CD1-OE2 3.29Å; L136-E140 HydrophobicContact CD2-CB 3.66Å; L136-E140 HydrophobicContact CG-CB 3.82Å; L136-E140 WeakPolarHBondContact CG-OE2 3.42Å; L136-I141 HydrophobicContact CB-CD1 3.93Å; L136-I141 HydrophobicContact CB-CG1 4.21Å; L136-I141 HydrophobicContact CD2-CD1 3.99Å; L136-I141 HydrophobicContact CD2-CG1 4.49Å; L136-I141 HydrophobicContact CG-CD1 4.5Å
137	A	91.7	Very high	92.3	Very high	55 Å²	55	60.5 Å²	60.5	46%	0.455	32%	0.321	S	S	.	.			trans	-62.4	145.2	-177.2	0	0	0	0	0	111.7	D139 E140 I141	A137-D139 VanDerWaalsContact C-N 3.26Å; A137-D139 PolarHBondContact O-N 3.5Å; A137-E140 HydrophobicContact CB-CG 4.25Å; A137-E140 WeakPolarHBondContact O-CB 3.16Å; A137-E140 PolarHBondContact O-N 3.35Å; A137-I141 PolarHBondContact O-N 2.76Å; A137-I141 VanDerWaalsContact O-N 3.1Å
138	K	91	Very high	92.3	Very high	117 Å²	117	60 Å²	60	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-54.1	-41.3	-176.3	-61.9	-169.9	-177.4	-157.8	0	112.9	E140 I141 R142 W165 N169	K138-E140 VanDerWaalsContact C-N 3.29Å; K138-E140 PolarHBondContact O-N 3.38Å; K138-I141 PolarHBondContact O-N 2.72Å; K138-R142 WeakPolarHBondContact O-CB 2.95Å; K138-R142 PolarHBondContact O-N 2.9Å; K138-W165 HydrophobicContact CB-CH2 4.45Å; K138-W165 HydrophobicContact CB-CZ2 4.23Å; K138-W165 WeakPolarHBondContact O-CH2 3.34Å; K138-N169 HydrophobicContact CD-CB 4.32Å; K138-N169 WeakPolarHBondContact CD-OD1 3.24Å; K138-N169 WeakPolarHBondContact CE-OD1 3.02Å; K138-N169 PolarHBondContact NZ-OD1 3.27Å
139	D	92.3	Very high	92.4	Very high	129 Å²	129	60.4 Å²	60.4	69%	0.69	32%	0.322	S	S	*	.	H	α-helix	trans	-65.8	-31.6	178.9	-67.7	-32.3	0	0	0	112.8	A137 K143	A137-D139 VanDerWaalsContact C-N 3.26Å; A137-D139 PolarHBondContact O-N 3.5Å; D139-K143 WeakPolarHBondContact O-CB 3.37Å; D139-K143 PolarHBondContact O-N 3.32Å
140	E	92.8	Very high	92.3	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-75.7	-39.1	177.9	-63.3	-178.2	139.1	0	0	111.3	L136 A137 K138 K143 L144	L136-E140 WeakPolarHBondContact CD1-OE2 3.29Å; L136-E140 HydrophobicContact CD2-CB 3.66Å; L136-E140 HydrophobicContact CG-CB 3.82Å; L136-E140 WeakPolarHBondContact CG-OE2 3.42Å; A137-E140 HydrophobicContact CB-CG 4.25Å; A137-E140 WeakPolarHBondContact O-CB 3.16Å; A137-E140 PolarHBondContact O-N 3.35Å; K138-E140 VanDerWaalsContact C-N 3.29Å; K138-E140 PolarHBondContact O-N 3.38Å; E140-K143 PolarHBondContact O-N 3.44Å; E140-L144 WeakPolarHBondContact O-CB 3.47Å; E140-L144 PolarHBondContact O-N 3.18Å
141	I	94.3	Very high	92.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-46.5	171.7	-64.1	-65.1	0	0	0	110.6	E131 L132 L136 A137 K138 K143 L144 F145 W165	E131-I141 HydrophobicContact CB-CD1 3.77Å; L132-I141 HydrophobicContact CD2-CD1 3.99Å; L132-I141 HydrophobicContact CD2-CG1 3.97Å; L132-I141 HydrophobicContact CD2-CG2 4.07Å; L132-I141 HydrophobicContact CG-CD1 4.05Å; L136-I141 HydrophobicContact CB-CD1 3.93Å; L136-I141 HydrophobicContact CB-CG1 4.21Å; L136-I141 HydrophobicContact CD2-CD1 3.99Å; L136-I141 HydrophobicContact CD2-CG1 4.49Å; L136-I141 HydrophobicContact CG-CD1 4.5Å; A137-I141 PolarHBondContact O-N 2.76Å; A137-I141 VanDerWaalsContact O-N 3.1Å; K138-I141 PolarHBondContact O-N 2.72Å; I141-K143 VanDerWaalsContact C-N 3.3Å; I141-K143 PolarHBondContact O-N 3.41Å; I141-L144 WeakPolarHBondContact O-CB 3.29Å; I141-L144 PolarHBondContact O-N 2.98Å; I141-L144 VanDerWaalsContact O-N 3.08Å; I141-F145 HydrophobicContact CG2-CD2 3.91Å; I141-F145 HydrophobicContact CG2-CE2 3.71Å; I141-F145 WeakPolarHBondContact O-CD2 3.41Å; I141-F145 PolarHBondContact O-N 3.45Å; I141-F145 VanDerWaalsContact O-N 3.07Å; I141-W165 HydrophobicContact CB-CH2 4.34Å; I141-W165 HydrophobicContact CB-CZ2 3.85Å; I141-W165 HydrophobicContact CG2-CD2 4.09Å; I141-W165 HydrophobicContact CG2-CH2 4.15Å; I141-W165 HydrophobicContact CG2-CZ2 3.61Å
142	R	94.3	Very high	92.1	Very high	67 Å²	67	58 Å²	58	25%	0.253	32%	0.315	S	S	.	.	H	α-helix	trans	-54.7	-48.6	175.5	-173.9	-174.9	175.9	152.8	3.6	111.1	K138 L144 F145 E146 Y162 W165 E174	K138-R142 WeakPolarHBondContact O-CB 2.95Å; K138-R142 PolarHBondContact O-N 2.9Å; R142-L144 VanDerWaalsContact C-N 3.3Å; R142-L144 PolarHBondContact O-N 2.76Å; R142-F145 PolarHBondContact O-N 2.96Å; R142-E146 IonicContact NE-OE1 3.45Å; R142-E146 PolarHBondContact NE-OE1 2.86Å; R142-E146 IonicContact NH2-OE1 2.71Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 2.84Å; R142-Y162 HydrophobicContact CG-CE2 4.32Å; R142-Y162 WeakPolarHBondContact CG-OH 3.24Å; R142-W165 HydrophobicContact CB-CH2 4Å; R142-W165 HydrophobicContact CB-CZ3 4.12Å; R142-E174 IonicContact CZ-OE1 3.98Å; R142-E174 IonicContact NH1-OE1 3.82Å; R142-E174 PolarHBondContact NH1-OE1 2.6Å; R142-E174 IonicContact NH2-OE1 3.66Å
143	K	94.3	Very high	92.2	Very high	129 Å²	129	56 Å²	56	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-60.9	-39.7	177.6	-174.8	-179.1	176.8	-174.6	0	111.7	D139 E140 I141 E146 D147	D139-K143 WeakPolarHBondContact O-CB 3.37Å; D139-K143 PolarHBondContact O-N 3.32Å; E140-K143 PolarHBondContact O-N 3.44Å; I141-K143 VanDerWaalsContact C-N 3.3Å; I141-K143 PolarHBondContact O-N 3.41Å; K143-E146 PolarHBondContact O-N 3.19Å; K143-D147 WeakPolarHBondContact O-CB 3.25Å; K143-D147 PolarHBondContact O-N 3.43Å
144	L	93.9	Very high	92.4	Very high	20 Å²	20	51.7 Å²	51.7	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-44.5	179	-168	62.8	0	0	0	111.8	W127 I128 E131 E140 I141 R142 D147 F148	W127-L144 HydrophobicContact CZ2-CD1 4.43Å; I128-L144 HydrophobicContact CB-CD2 4.47Å; I128-L144 HydrophobicContact CG1-CD2 3.64Å; I128-L144 HydrophobicContact CG1-CG 3.98Å; E131-L144 HydrophobicContact CG-CD2 4.22Å; E140-L144 WeakPolarHBondContact O-CB 3.47Å; E140-L144 PolarHBondContact O-N 3.18Å; I141-L144 WeakPolarHBondContact O-CB 3.29Å; I141-L144 PolarHBondContact O-N 2.98Å; I141-L144 VanDerWaalsContact O-N 3.08Å; R142-L144 VanDerWaalsContact C-N 3.3Å; R142-L144 PolarHBondContact O-N 2.76Å; L144-D147 PolarHBondContact O-N 3.25Å; L144-F148 HydrophobicContact CD1-CD2 4.44Å; L144-F148 HydrophobicContact CD1-CE1 4.27Å; L144-F148 HydrophobicContact CD1-CE2 3.63Å; L144-F148 HydrophobicContact CD1-CZ 3.5Å; L144-F148 HydrophobicContact CD2-CE2 4.14Å; L144-F148 HydrophobicContact CG-CD2 4.14Å; L144-F148 HydrophobicContact CG-CE2 3.49Å; L144-F148 VanDerWaalsContact CG-CE2 3.49Å; L144-F148 HydrophobicContact CG-CZ 3.93Å; L144-F148 WeakPolarHBondContact O-CD2 3.32Å; L144-F148 WeakPolarHBondContact O-CG 3.45Å; L144-F148 PolarHBondContact O-N 3.29Å; L144-F148 VanDerWaalsContact O-N 3.12Å
145	F	95.6	Very high	92.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-49.8	172.6	-80.6	-69.4	0	0	0	112.5	I128 I141 R142 D147 F148 L149 E161 Y162 W165	I128-F145 HydrophobicContact CD1-CD1 3.52Å; I128-F145 HydrophobicContact CD1-CE1 3.5Å; I128-F145 HydrophobicContact CD1-CG 4.13Å; I128-F145 HydrophobicContact CD1-CZ 4.08Å; I128-F145 HydrophobicContact CG1-CE1 4.47Å; I128-F145 HydrophobicContact CG2-CE1 4.17Å; I128-F145 HydrophobicContact CG2-CE2 3.87Å; I128-F145 HydrophobicContact CG2-CZ 3.6Å; I141-F145 HydrophobicContact CG2-CD2 3.91Å; I141-F145 HydrophobicContact CG2-CE2 3.71Å; I141-F145 WeakPolarHBondContact O-CD2 3.41Å; I141-F145 PolarHBondContact O-N 3.45Å; I141-F145 VanDerWaalsContact O-N 3.07Å; R142-F145 PolarHBondContact O-N 2.96Å; F145-D147 VanDerWaalsContact C-N 3.31Å; F145-D147 PolarHBondContact O-N 3.39Å; F145-F148 PolarHBondContact O-N 2.81Å; F145-L149 WeakPolarHBondContact O-CB 3.29Å; F145-L149 WeakPolarHBondContact O-CG 3.44Å; F145-L149 PolarHBondContact O-N 3.47Å; F145-E161 HydrophobicContact CE1-CB 3.96Å; F145-E161 HydrophobicContact CZ-CB 4.36Å; F145-Y162 HydrophobicContact CB-CD1 3.78Å; F145-Y162 HydrophobicContact CB-CD2 3.8Å; F145-Y162 HydrophobicContact CB-CE1 3.98Å; F145-Y162 HydrophobicContact CB-CE2 4.05Å; F145-Y162 HydrophobicContact CB-CG 3.7Å; F145-Y162 HydrophobicContact CD1-CD2 4.23Å; F145-Y162 AromaticContact CD1-CG 3.9Å; F145-Y162 HydrophobicContact CD1-CG 3.9Å; F145-Y162 AromaticContact CD2-CD2 3.55Å; F145-Y162 HydrophobicContact CD2-CD2 3.55Å; F145-Y162 HydrophobicContact CD2-CE2 4.08Å; F145-Y162 HydrophobicContact CD2-CG 4.08Å; F145-Y162 HydrophobicContact CE1-CG 4.47Å; F145-Y162 HydrophobicContact CE2-CD2 4.08Å; F145-Y162 HydrophobicContact CG-CD1 4.26Å; F145-Y162 AromaticContact CG-CD2 3.63Å; F145-Y162 HydrophobicContact CG-CD2 3.63Å; F145-Y162 HydrophobicContact CG-CE2 4.26Å; F145-Y162 AromaticContact CG-CG 3.66Å; F145-Y162 HydrophobicContact CG-CG 3.66Å; F145-W165 HydrophobicContact CD2-CE3 4.37Å; F145-W165 HydrophobicContact CE2-CB 4.14Å; F145-W165 HydrophobicContact CE2-CD2 4.06Å; F145-W165 HydrophobicContact CE2-CE3 4.15Å; F145-W165 HydrophobicContact CE2-CG 4.05Å; F145-W165 HydrophobicContact CZ-CB 4.28Å
146	E	94.8	Very high	92.7	Very high	75 Å²	75	46.3 Å²	46.3	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-40.5	-178.9	-70.5	-179.7	178.1	0	0	111.8	R142 K143 L149 E150 Y162	R142-E146 IonicContact NE-OE1 3.45Å; R142-E146 PolarHBondContact NE-OE1 2.86Å; R142-E146 IonicContact NH2-OE1 2.71Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 2.84Å; K143-E146 PolarHBondContact O-N 3.19Å; E146-L149 PolarHBondContact O-N 3.3Å; E146-E150 PolarHBondContact O-N 2.91Å; E146-Y162 HydrophobicContact CG-CE1 4.03Å; E146-Y162 PolarHBondContact OE1-OH 3.03Å; E146-Y162 VanDerWaalsContact OE1-OH 3.07Å
147	D	93.1	Very high	92.9	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-40.1	177.2	-91.6	11.6	0	0	0	112.6	R114 K143 L144 F145	R114-D147 IonicContact CZ-OD2 2.79Å; R114-D147 VanDerWaalsContact CZ-OD2 3.24Å; R114-D147 IonicContact NH1-OD2 3.58Å; R114-D147 PolarHBondContact NH1-OD2 3.47Å; R114-D147 IonicContact NH2-OD1 2.94Å; R114-D147 IonicContact NH2-OD2 3.36Å; R114-D147 PolarHBondContact NH2-OD2 3.08Å; R114-D147 VanDerWaalsContact NH2-OD2 3.1Å; K143-D147 WeakPolarHBondContact O-CB 3.25Å; K143-D147 PolarHBondContact O-N 3.43Å; L144-D147 PolarHBondContact O-N 3.25Å; F145-D147 VanDerWaalsContact C-N 3.31Å; F145-D147 PolarHBondContact O-N 3.39Å
148	F	94.6	Very high	93	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-74.9	-39.7	176.8	-66.1	-38.6	0	0	0	112.7	V119 C124 W127 I128 L144 F145 E150 E151 M152 L158	V119-F148 HydrophobicContact CB-CE1 4.38Å; V119-F148 HydrophobicContact CG2-CE1 4.41Å; C124-F148 HydrophobicContact CB-CB 4.39Å; C124-F148 HydrophobicContact CB-CD1 4.3Å; C124-F148 HydrophobicContact CB-CD2 3.54Å; C124-F148 HydrophobicContact CB-CE1 4.48Å; C124-F148 HydrophobicContact CB-CE2 3.72Å; C124-F148 HydrophobicContact CB-CG 3.86Å; C124-F148 HydrophobicContact CB-CZ 4.22Å; C124-F148 WeakPolarHBondContact SG-CD1 3.29Å; C124-F148 VanDerWaalsContact SG-CG 3.53Å; W127-F148 AromaticContact CD2-CZ 3.96Å; W127-F148 HydrophobicContact CD2-CZ 3.96Å; W127-F148 HydrophobicContact CE3-CE1 4.06Å; W127-F148 AromaticContact CE3-CZ 3.45Å; W127-F148 HydrophobicContact CE3-CZ 3.45Å; W127-F148 VanDerWaalsContact CE3-CZ 3.45Å; W127-F148 HydrophobicContact CZ3-CE1 4.02Å; W127-F148 AromaticContact CZ3-CZ 3.81Å; W127-F148 HydrophobicContact CZ3-CZ 3.81Å; I128-F148 HydrophobicContact CD1-CD2 3.76Å; I128-F148 HydrophobicContact CD1-CE2 3.91Å; I128-F148 HydrophobicContact CG1-CD2 4.27Å; I128-F148 HydrophobicContact CG1-CE2 3.94Å; L144-F148 HydrophobicContact CD1-CD2 4.44Å; L144-F148 HydrophobicContact CD1-CE1 4.27Å; L144-F148 HydrophobicContact CD1-CE2 3.63Å; L144-F148 HydrophobicContact CD1-CZ 3.5Å; L144-F148 HydrophobicContact CD2-CE2 4.14Å; L144-F148 HydrophobicContact CG-CD2 4.14Å; L144-F148 HydrophobicContact CG-CE2 3.49Å; L144-F148 VanDerWaalsContact CG-CE2 3.49Å; L144-F148 HydrophobicContact CG-CZ 3.93Å; L144-F148 WeakPolarHBondContact O-CD2 3.32Å; L144-F148 WeakPolarHBondContact O-CG 3.45Å; L144-F148 PolarHBondContact O-N 3.29Å; L144-F148 VanDerWaalsContact O-N 3.12Å; F145-F148 PolarHBondContact O-N 2.81Å; F148-E150 PolarHBondContact O-N 2.89Å; F148-E151 PolarHBondContact O-N 3.11Å; F148-E151 VanDerWaalsContact O-N 3.08Å; F148-M152 PolarHBondContact O-N 3.31Å; F148-L158 HydrophobicContact CB-CD1 3.93Å
149	L	94.4	Very high	93.2	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-23.6	176.7	-73.8	170.5	0	0	0	112.6	F145 E146 E151 M152 P153 L158 W159 Y162	F145-L149 WeakPolarHBondContact O-CB 3.29Å; F145-L149 WeakPolarHBondContact O-CG 3.44Å; F145-L149 PolarHBondContact O-N 3.47Å; E146-L149 PolarHBondContact O-N 3.3Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-M152 CarbonylContact O-C 3.5Å; L149-P153 WeakPolarHBondContact O-CA 3.47Å; L149-P153 VanDerWaalsContact O-N 3.12Å; L149-L158 HydrophobicContact CD2-CB 3.66Å; L149-L158 HydrophobicContact CD2-CD1 4.41Å; L149-L158 HydrophobicContact CG-CB 4.25Å; L149-W159 HydrophobicContact CD1-CD2 3.87Å; L149-W159 HydrophobicContact CD1-CE3 3.76Å; L149-W159 HydrophobicContact CD1-CH2 3.99Å; L149-W159 HydrophobicContact CD1-CZ2 4.08Å; L149-W159 HydrophobicContact CD1-CZ3 3.84Å; L149-W159 HydrophobicContact CD2-CD2 3.92Å; L149-W159 HydrophobicContact CD2-CG 4.01Å; L149-W159 HydrophobicContact CD2-CZ2 4.23Å; L149-Y162 HydrophobicContact CD1-CD1 3.69Å; L149-Y162 HydrophobicContact CD1-CE1 4.37Å
150	E	91.4	Very high	93.3	Very high	101 Å²	101	35.7 Å²	35.7	47%	0.472	17%	0.17	S	C	.	.	H	α-helix	trans	-68.6	-32.4	169.6	-177.8	161.5	-140.1	0	0	112.3	E146 F148 K343 R347	E146-E150 PolarHBondContact O-N 2.91Å; F148-E150 PolarHBondContact O-N 2.89Å; E150-K343 IonicContact OE1-NZ 3.6Å; E150-K343 PolarHBondContact OE1-NZ 2.92Å; E150-R347 WeakPolarHBondContact O-CD 3.41Å
151	E	89.8	Confident	93.3	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-79.8	-39.2	175.6	-68.3	-178.8	-164.1	0	0	112.2	R114 P118 F148 L149 R347 R350	R114-E151 IonicContact CZ-OE1 2.88Å; R114-E151 IonicContact NE-OE1 2.98Å; R114-E151 PolarHBondContact NE-OE1 3.32Å; R114-E151 IonicContact NH2-OE1 2.71Å; P118-E151 WeakPolarHBondContact CA-OE2 3.33Å; F148-E151 PolarHBondContact O-N 3.11Å; F148-E151 VanDerWaalsContact O-N 3.08Å; L149-E151 VanDerWaalsContact C-N 3.33Å; E151-R347 PolarHBondContact O-NE 3.1Å; E151-R347 PolarHBondContact O-NH2 2.92Å; E151-R350 IonicContact OE1-CZ 3.56Å; E151-R350 IonicContact OE1-NH1 3.57Å; E151-R350 PolarHBondContact OE1-NH1 3.07Å; E151-R350 IonicContact OE1-NH2 3.29Å; E151-R350 PolarHBondContact OE1-NH2 3.11Å; E151-R350 IonicContact OE2-NH2 2.71Å
152	M	91.7	Very high	93.4	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.049	16%	0.156	C	C	.	.			trans	-132.4	73	-176.8	-69.3	-55.3	-69.2	0	0	112.5	F148 L149 A154 S155 I314 A315 F351	F148-M152 PolarHBondContact O-N 3.31Å; L149-M152 CarbonylContact O-C 3.5Å; M152-A154 PolarHBondContact O-N 3.2Å; M152-S155 VanDerWaalsContact O-CB 3.26Å; M152-S155 WeakPolarHBondContact O-CB 3.34Å; M152-S155 PolarHBondContact O-N 3.17Å; M152-I314 HydrophobicContact CE-CG2 4.36Å; M152-I314 HydrophobicContact SD-CG2 4.44Å; M152-A315 HydrophobicContact CE-CB 3.85Å; M152-F351 HydrophobicContact CG-CZ 3.83Å; M152-F351 HydrophobicContact SD-CE1 4.03Å; M152-F351 HydrophobicContact SD-CE2 3.69Å; M152-F351 HydrophobicContact SD-CZ 3.2Å; M152-F351 WeakPolarHBondContact SD-CZ 3.14Å
153	P	93.6	Very high	93.4	Very high	31 Å²	31	29.6 Å²	29.6	20%	0.201	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22	-175.2	26.7	-35.4	0	0	0	114.2	L149 S155 W159 R347	L149-P153 WeakPolarHBondContact O-CA 3.47Å; L149-P153 VanDerWaalsContact O-N 3.12Å; P153-S155 VanDerWaalsContact C-N 3.33Å; P153-W159 PolarHBondContact O-NE1 3.13Å; P153-R347 VanDerWaalsContact CD-CZ 3.46Å
154	A	92.3	Very high	93.3	Very high	8 Å²	8	26.7 Å²	26.7	7%	0.066	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.9	175.1	0	0	0	0	0	114.1	M152 F156 V186 E311 A315	M152-A154 PolarHBondContact O-N 3.2Å; A154-F156 PolarHBondContact O-N 2.88Å; A154-V186 HydrophobicContact CB-CG1 4.44Å; A154-E311 HydrophobicContact CB-CB 3.56Å; A154-E311 WeakPolarHBondContact CB-O 3.31Å; A154-A315 HydrophobicContact CB-CB 4.44Å
155	S	92.4	Very high	93.3	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.028	13%	0.134	C	C	.	.			trans	-69.4	100.5	176.8	-177.3	0	0	0	0	110.5	T121 M152 P153 L158 W159	T121-S155 WeakPolarHBondContact CG2-OG 3.47Å; T121-S155 PolarHBondContact OG1-OG 3.27Å; M152-S155 VanDerWaalsContact O-CB 3.26Å; M152-S155 WeakPolarHBondContact O-CB 3.34Å; M152-S155 PolarHBondContact O-N 3.17Å; P153-S155 VanDerWaalsContact C-N 3.33Å; S155-L158 PolarHBondContact O-N 2.7Å; S155-L158 WeakPolarHBondContact OG-CG 3.32Å; S155-W159 PolarHBondContact O-N 2.87Å
156	F	90.6	Very high	93.3	Very high	17 Å²	17	27.2 Å²	27.2	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-43.1	-177.7	-173.5	-102.3	0	0	0	112.2	A154 L158 W159 L160 V186 Q192 V195 L196	A154-F156 PolarHBondContact O-N 2.88Å; F156-L158 PolarHBondContact O-N 3.39Å; F156-W159 PolarHBondContact O-N 3.22Å; F156-L160 HydrophobicContact CD1-CD1 3.93Å; F156-L160 HydrophobicContact CD1-CG 4.33Å; F156-L160 HydrophobicContact CE1-CD1 3.3Å; F156-L160 HydrophobicContact CE1-CD2 4.4Å; F156-L160 HydrophobicContact CE1-CG 3.85Å; F156-L160 HydrophobicContact CZ-CD1 3.86Å; F156-L160 HydrophobicContact CZ-CD2 4.12Å; F156-L160 HydrophobicContact CZ-CG 4.02Å; F156-L160 PolarHBondContact O-N 2.88Å; F156-L160 VanDerWaalsContact O-N 3.14Å; F156-V186 HydrophobicContact CD2-CG2 4.2Å; F156-Q192 HydrophobicContact CD1-CB 4.17Å; F156-Q192 HydrophobicContact CD2-CB 4.11Å; F156-Q192 HydrophobicContact CE1-CB 4.25Å; F156-Q192 HydrophobicContact CE2-CB 4.22Å; F156-Q192 VanDerWaalsContact CE2-O 3.25Å; F156-Q192 WeakPolarHBondContact CE2-O 3.42Å; F156-Q192 HydrophobicContact CG-CB 4.11Å; F156-Q192 HydrophobicContact CZ-CB 4.32Å; F156-Q192 WeakPolarHBondContact CZ-O 3.33Å; F156-V195 HydrophobicContact CE1-CB 4.14Å; F156-V195 HydrophobicContact CE1-CG1 4.25Å; F156-V195 HydrophobicContact CZ-CB 3.78Å; F156-V195 HydrophobicContact CZ-CG1 4.15Å; F156-L196 HydrophobicContact CE2-CB 3.65Å; F156-L196 HydrophobicContact CZ-CB 3.98Å
157	L	91.4	Very high	93.1	Very high	87 Å²	87	25.1 Å²	25.1	46%	0.455	13%	0.127	S	C	.	.	H	α-helix	trans	-62.3	-41.9	179.7	-64.1	174.8	0	0	0	112.4	T121 I125 W159 L160 E161	T121-L157 HydrophobicContact CG2-CB 4.09Å; T121-L157 HydrophobicContact CG2-CD1 4.26Å; I125-L157 HydrophobicContact CD1-CB 3.68Å; I125-L157 HydrophobicContact CD1-CD1 4.36Å; L157-W159 VanDerWaalsContact C-N 3.32Å; L157-W159 PolarHBondContact O-N 3.32Å; L157-L160 PolarHBondContact O-N 3.11Å; L157-E161 WeakPolarHBondContact O-CG 3.3Å; L157-E161 PolarHBondContact O-N 2.91Å
158	L	94	Very high	92.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-38	177.3	-78	174.1	0	0	0	112.5	T121 C124 I125 I128 F148 L149 S155 F156 Y162	T121-L158 HydrophobicContact CG2-CG 4.32Å; C124-L158 HydrophobicContact CB-CD1 4.25Å; C124-L158 HydrophobicContact CB-CD2 3.8Å; I125-L158 HydrophobicContact CG1-CD2 3.86Å; I128-L158 HydrophobicContact CD1-CD2 4.09Å; F148-L158 HydrophobicContact CB-CD1 3.93Å; L149-L158 HydrophobicContact CD2-CB 3.66Å; L149-L158 HydrophobicContact CD2-CD1 4.41Å; L149-L158 HydrophobicContact CG-CB 4.25Å; S155-L158 PolarHBondContact O-N 2.7Å; S155-L158 WeakPolarHBondContact OG-CG 3.32Å; F156-L158 PolarHBondContact O-N 3.39Å; L158-Y162 VanDerWaalsContact O-CB 3.3Å; L158-Y162 WeakPolarHBondContact O-CB 3.43Å; L158-Y162 PolarHBondContact O-N 3.33Å
159	W	95.7	Very high	92.6	Very high	18 Å²	18	28.4 Å²	28.4	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-44.2	175.6	-80.1	114.7	0	0	0	112	L149 P153 S155 F156 L157 Y162 I163 L178 K181 A182 A185 V186	L149-W159 HydrophobicContact CD1-CD2 3.87Å; L149-W159 HydrophobicContact CD1-CE3 3.76Å; L149-W159 HydrophobicContact CD1-CH2 3.99Å; L149-W159 HydrophobicContact CD1-CZ2 4.08Å; L149-W159 HydrophobicContact CD1-CZ3 3.84Å; L149-W159 HydrophobicContact CD2-CD2 3.92Å; L149-W159 HydrophobicContact CD2-CG 4.01Å; L149-W159 HydrophobicContact CD2-CZ2 4.23Å; P153-W159 PolarHBondContact O-NE1 3.13Å; S155-W159 PolarHBondContact O-N 2.87Å; F156-W159 PolarHBondContact O-N 3.22Å; L157-W159 VanDerWaalsContact C-N 3.32Å; L157-W159 PolarHBondContact O-N 3.32Å; W159-Y162 PolarHBondContact O-N 3.3Å; W159-I163 WeakPolarHBondContact O-CB 3.21Å; W159-I163 WeakPolarHBondContact O-CD1 3.3Å; W159-I163 VanDerWaalsContact O-CG1 3.24Å; W159-I163 WeakPolarHBondContact O-CG1 3.44Å; W159-I163 PolarHBondContact O-N 3.34Å; W159-L178 HydrophobicContact CE3-CD1 4.45Å; W159-L178 HydrophobicContact CZ3-CD1 3.77Å; W159-K181 HydrophobicContact CH2-CB 3.86Å; W159-K181 HydrophobicContact CZ3-CB 4.16Å; W159-A182 HydrophobicContact CB-CB 4.43Å; W159-A182 HydrophobicContact CD2-CB 3.71Å; W159-A182 HydrophobicContact CE3-CB 3.43Å; W159-A182 VanDerWaalsContact CE3-CB 3.43Å; W159-A182 HydrophobicContact CG-CB 4.16Å; W159-A182 HydrophobicContact CZ3-CB 3.91Å; W159-A185 HydrophobicContact CZ2-CB 3.82Å; W159-V186 HydrophobicContact CG-CG2 4.38Å
160	L	93.9	Very high	92.5	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-48.2	178.8	-71.8	-175.6	0	0	0	112.2	L15 F156 L157 Y162 I163 Q164 V195 L196	L15-L160 HydrophobicContact CD2-CD1 4.38Å; F156-L160 HydrophobicContact CD1-CD1 3.93Å; F156-L160 HydrophobicContact CD1-CG 4.33Å; F156-L160 HydrophobicContact CE1-CD1 3.3Å; F156-L160 HydrophobicContact CE1-CD2 4.4Å; F156-L160 HydrophobicContact CE1-CG 3.85Å; F156-L160 HydrophobicContact CZ-CD1 3.86Å; F156-L160 HydrophobicContact CZ-CD2 4.12Å; F156-L160 HydrophobicContact CZ-CG 4.02Å; F156-L160 PolarHBondContact O-N 2.88Å; F156-L160 VanDerWaalsContact O-N 3.14Å; L157-L160 PolarHBondContact O-N 3.11Å; L160-Y162 VanDerWaalsContact C-N 3.31Å; L160-Y162 PolarHBondContact O-N 2.96Å; L160-I163 PolarHBondContact O-N 3.01Å; L160-Q164 WeakPolarHBondContact O-CB 3.16Å; L160-Q164 PolarHBondContact O-N 2.76Å; L160-V195 HydrophobicContact CD1-CG1 3.97Å; L160-V195 HydrophobicContact CD2-CG1 4.36Å; L160-L196 HydrophobicContact CD2-CB 4.49Å; L160-L196 HydrophobicContact CD2-CD1 4.34Å
161	E	93.4	Very high	92.5	Very high	42 Å²	42	27.9 Å²	27.9	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-41.4	177.4	-72.4	-77.6	169.4	0	0	111.5	I125 R129 F145 L157 W165	I125-E161 HydrophobicContact CD1-CG 4.45Å; I125-E161 HydrophobicContact CG1-CG 4.42Å; I125-E161 HydrophobicContact CG2-CG 4.39Å; R129-E161 IonicContact CZ-OE1 2.99Å; R129-E161 IonicContact NE-OE1 2.74Å; R129-E161 IonicContact NH2-OE1 3.44Å; R129-E161 PolarHBondContact NH2-OE1 3.15Å; F145-E161 HydrophobicContact CE1-CB 3.96Å; F145-E161 HydrophobicContact CZ-CB 4.36Å; L157-E161 WeakPolarHBondContact O-CG 3.3Å; L157-E161 PolarHBondContact O-N 2.91Å; E161-W165 WeakPolarHBondContact O-CB 3.36Å; E161-W165 PolarHBondContact O-N 2.97Å
162	Y	96.1	Very high	92.4	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-42.6	177.9	-170.4	-167.6	0	0	0	111.6	R142 F145 E146 L149 L158 W159 L160 W165 S166 M170 L178	R142-Y162 HydrophobicContact CG-CE2 4.32Å; R142-Y162 WeakPolarHBondContact CG-OH 3.24Å; F145-Y162 HydrophobicContact CB-CD1 3.78Å; F145-Y162 HydrophobicContact CB-CD2 3.8Å; F145-Y162 HydrophobicContact CB-CE1 3.98Å; F145-Y162 HydrophobicContact CB-CE2 4.05Å; F145-Y162 HydrophobicContact CB-CG 3.7Å; F145-Y162 HydrophobicContact CD1-CD2 4.23Å; F145-Y162 AromaticContact CD1-CG 3.9Å; F145-Y162 HydrophobicContact CD1-CG 3.9Å; F145-Y162 AromaticContact CD2-CD2 3.55Å; F145-Y162 HydrophobicContact CD2-CD2 3.55Å; F145-Y162 HydrophobicContact CD2-CE2 4.08Å; F145-Y162 HydrophobicContact CD2-CG 4.08Å; F145-Y162 HydrophobicContact CE1-CG 4.47Å; F145-Y162 HydrophobicContact CE2-CD2 4.08Å; F145-Y162 HydrophobicContact CG-CD1 4.26Å; F145-Y162 AromaticContact CG-CD2 3.63Å; F145-Y162 HydrophobicContact CG-CD2 3.63Å; F145-Y162 HydrophobicContact CG-CE2 4.26Å; F145-Y162 AromaticContact CG-CG 3.66Å; F145-Y162 HydrophobicContact CG-CG 3.66Å; E146-Y162 HydrophobicContact CG-CE1 4.03Å; E146-Y162 PolarHBondContact OE1-OH 3.03Å; E146-Y162 VanDerWaalsContact OE1-OH 3.07Å; L149-Y162 HydrophobicContact CD1-CD1 3.69Å; L149-Y162 HydrophobicContact CD1-CE1 4.37Å; L158-Y162 VanDerWaalsContact O-CB 3.3Å; L158-Y162 WeakPolarHBondContact O-CB 3.43Å; L158-Y162 PolarHBondContact O-N 3.33Å; W159-Y162 PolarHBondContact O-N 3.3Å; L160-Y162 VanDerWaalsContact C-N 3.31Å; L160-Y162 PolarHBondContact O-N 2.96Å; Y162-W165 AromaticContact CD2-CE3 3.97Å; Y162-W165 HydrophobicContact CD2-CE3 3.97Å; Y162-W165 HydrophobicContact CD2-CZ3 4.42Å; Y162-W165 AromaticContact CE2-CE3 3.96Å; Y162-W165 HydrophobicContact CE2-CE3 3.96Å; Y162-W165 AromaticContact CE2-CZ3 3.95Å; Y162-W165 HydrophobicContact CE2-CZ3 3.95Å; Y162-W165 PolarHBondContact O-N 3.42Å; Y162-S166 VanDerWaalsContact O-CB 3.24Å; Y162-S166 WeakPolarHBondContact O-CB 3.36Å; Y162-S166 PolarHBondContact O-N 3.26Å; Y162-S166 PolarHBondContact O-OG 3.25Å; Y162-M170 HydrophobicContact CE2-SD 4.29Å; Y162-L178 HydrophobicContact CD1-CD1 3.55Å; Y162-L178 HydrophobicContact CD1-CD2 3.98Å; Y162-L178 HydrophobicContact CD1-CG 4.34Å; Y162-L178 HydrophobicContact CD2-CD2 4.01Å; Y162-L178 HydrophobicContact CE1-CD1 3.3Å; Y162-L178 HydrophobicContact CE1-CD2 4.13Å; Y162-L178 HydrophobicContact CE1-CG 4.36Å; Y162-L178 HydrophobicContact CE2-CD2 4.09Å; Y162-L178 HydrophobicContact CG-CD1 4.34Å; Y162-L178 HydrophobicContact CG-CD2 3.92Å
163	I	95.2	Very high	92.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-50.4	177.7	-75	164.9	0	0	0	110.3	W159 L160 W165 S166 C167 L178 F179 A182 L196	W159-I163 WeakPolarHBondContact O-CB 3.21Å; W159-I163 WeakPolarHBondContact O-CD1 3.3Å; W159-I163 VanDerWaalsContact O-CG1 3.24Å; W159-I163 WeakPolarHBondContact O-CG1 3.44Å; W159-I163 PolarHBondContact O-N 3.34Å; L160-I163 PolarHBondContact O-N 3.01Å; I163-W165 VanDerWaalsContact C-N 3.33Å; I163-W165 PolarHBondContact O-N 2.82Å; I163-S166 WeakPolarHBondContact CA-OG 3.33Å; I163-S166 PolarHBondContact O-N 3.34Å; I163-S166 VanDerWaalsContact O-N 3.08Å; I163-S166 PolarHBondContact O-OG 2.7Å; I163-C167 PolarHBondContact O-N 3.05Å; I163-C167 VanDerWaalsContact O-N 3.08Å; I163-C167 PolarHBondContact O-SG 3.24Å; I163-L178 HydrophobicContact CG1-CD2 4.01Å; I163-L178 HydrophobicContact CG1-CG 4.2Å; I163-F179 HydrophobicContact CD1-CD1 3.8Å; I163-F179 HydrophobicContact CD1-CE1 3.84Å; I163-F179 HydrophobicContact CG1-CD1 4.43Å; I163-F179 HydrophobicContact CG1-CE1 4.34Å; I163-F179 HydrophobicContact CG2-CD1 4.36Å; I163-F179 HydrophobicContact CG2-CE1 3.52Å; I163-F179 HydrophobicContact CG2-CE2 4.01Å; I163-F179 HydrophobicContact CG2-CZ 3.32Å; I163-A182 HydrophobicContact CD1-CB 3.94Å; I163-L196 HydrophobicContact CD1-CD1 3.26Å
164	Q	92.1	Very high	92.3	Very high	68 Å²	68	35.4 Å²	35.4	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-57.6	-47.2	179.5	-172.5	-176.5	10.8	0	0	111.2	L15 L160 S166 C167	L15-Q164 HydrophobicContact CD1-CB 4.49Å; L15-Q164 VanDerWaalsContact CD1-OE1 3.23Å; L160-Q164 WeakPolarHBondContact O-CB 3.16Å; L160-Q164 PolarHBondContact O-N 2.76Å; Q164-S166 VanDerWaalsContact C-N 3.33Å; Q164-S166 PolarHBondContact O-N 3.06Å; Q164-C167 PolarHBondContact O-N 3.49Å
165	W	94.2	Very high	92.4	Very high	32 Å²	32	35 Å²	35	12%	0.121	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-40.3	176.1	176.9	83.6	0	0	0	112.4	K138 I141 R142 F145 E161 Y162 I163 C167 G168 N169 M170	K138-W165 HydrophobicContact CB-CH2 4.45Å; K138-W165 HydrophobicContact CB-CZ2 4.23Å; K138-W165 WeakPolarHBondContact O-CH2 3.34Å; I141-W165 HydrophobicContact CB-CH2 4.34Å; I141-W165 HydrophobicContact CB-CZ2 3.85Å; I141-W165 HydrophobicContact CG2-CD2 4.09Å; I141-W165 HydrophobicContact CG2-CH2 4.15Å; I141-W165 HydrophobicContact CG2-CZ2 3.61Å; R142-W165 HydrophobicContact CB-CH2 4Å; R142-W165 HydrophobicContact CB-CZ3 4.12Å; F145-W165 HydrophobicContact CD2-CE3 4.37Å; F145-W165 HydrophobicContact CE2-CB 4.14Å; F145-W165 HydrophobicContact CE2-CD2 4.06Å; F145-W165 HydrophobicContact CE2-CE3 4.15Å; F145-W165 HydrophobicContact CE2-CG 4.05Å; F145-W165 HydrophobicContact CZ-CB 4.28Å; E161-W165 WeakPolarHBondContact O-CB 3.36Å; E161-W165 PolarHBondContact O-N 2.97Å; Y162-W165 AromaticContact CD2-CE3 3.97Å; Y162-W165 HydrophobicContact CD2-CE3 3.97Å; Y162-W165 HydrophobicContact CD2-CZ3 4.42Å; Y162-W165 AromaticContact CE2-CE3 3.96Å; Y162-W165 HydrophobicContact CE2-CE3 3.96Å; Y162-W165 AromaticContact CE2-CZ3 3.95Å; Y162-W165 HydrophobicContact CE2-CZ3 3.95Å; Y162-W165 PolarHBondContact O-N 3.42Å; I163-W165 VanDerWaalsContact C-N 3.33Å; I163-W165 PolarHBondContact O-N 2.82Å; W165-C167 VanDerWaalsContact C-N 3.32Å; W165-C167 PolarHBondContact O-N 3.16Å; W165-G168 PolarHBondContact O-N 3.4Å; W165-N169 HydrophobicContact CD2-CB 4.36Å; W165-N169 HydrophobicContact CH2-CB 4.16Å; W165-N169 HydrophobicContact CZ2-CB 3.96Å; W165-N169 HydrophobicContact CZ3-CB 4.44Å; W165-N169 PolarHBondContact NE1-ND2 3.25Å; W165-N169 WeakPolarHBondContact O-CB 3.33Å; W165-N169 PolarHBondContact O-ND2 3.03Å; W165-M170 HydrophobicContact CZ3-CG 4.49Å; W165-M170 HydrophobicContact CZ3-SD 4.1Å
166	S	94.2	Very high	92.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-32.9	-178	76.4	0	0	0	0	113.1	Y162 I163 Q164 G168 N169 M170 V175 L178	Y162-S166 VanDerWaalsContact O-CB 3.24Å; Y162-S166 WeakPolarHBondContact O-CB 3.36Å; Y162-S166 PolarHBondContact O-N 3.26Å; Y162-S166 PolarHBondContact O-OG 3.25Å; I163-S166 WeakPolarHBondContact CA-OG 3.33Å; I163-S166 PolarHBondContact O-N 3.34Å; I163-S166 VanDerWaalsContact O-N 3.08Å; I163-S166 PolarHBondContact O-OG 2.7Å; Q164-S166 VanDerWaalsContact C-N 3.33Å; Q164-S166 PolarHBondContact O-N 3.06Å; S166-G168 PolarHBondContact O-N 2.63Å; S166-G168 VanDerWaalsContact O-N 3.15Å; S166-N169 PolarHBondContact O-N 3.48Å; S166-M170 PolarHBondContact O-N 3.46Å; S166-V175 WeakPolarHBondContact O-CG2 3.47Å; S166-L178 WeakPolarHBondContact OG-CD2 3.1Å
167	C	90.4	Very high	92.7	Very high	31 Å²	31	38.5 Å²	38.5	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-29	-178.6	-71.4	0	0	0	0	113.3	I163 Q164 W165	I163-C167 PolarHBondContact O-N 3.05Å; I163-C167 VanDerWaalsContact O-N 3.08Å; I163-C167 PolarHBondContact O-SG 3.24Å; Q164-C167 PolarHBondContact O-N 3.49Å; W165-C167 VanDerWaalsContact C-N 3.32Å; W165-C167 PolarHBondContact O-N 3.16Å
168	G	87.1	Confident	92.9	Very high	47 Å²	47	34.6 Å²	34.6	49%	0.485	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.9	176	0	0	0	0	0	115.1	W165 S166	W165-G168 PolarHBondContact O-N 3.4Å; S166-G168 PolarHBondContact O-N 2.63Å; S166-G168 VanDerWaalsContact O-N 3.15Å
169	N	90.9	Very high	93	Very high	59 Å²	59	34.5 Å²	34.5	32%	0.316	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-8.7	-168.7	-70.9	-73.5	0	0	0	115.3	K138 W165 S166	K138-N169 HydrophobicContact CD-CB 4.32Å; K138-N169 WeakPolarHBondContact CD-OD1 3.24Å; K138-N169 WeakPolarHBondContact CE-OD1 3.02Å; K138-N169 PolarHBondContact NZ-OD1 3.27Å; W165-N169 HydrophobicContact CD2-CB 4.36Å; W165-N169 HydrophobicContact CH2-CB 4.16Å; W165-N169 HydrophobicContact CZ2-CB 3.96Å; W165-N169 HydrophobicContact CZ3-CB 4.44Å; W165-N169 PolarHBondContact NE1-ND2 3.25Å; W165-N169 WeakPolarHBondContact O-CB 3.33Å; W165-N169 PolarHBondContact O-ND2 3.03Å; S166-N169 PolarHBondContact O-N 3.48Å
170	M	91.7	Very high	93	Very high	21 Å²	21	36.5 Å²	36.5	10%	0.103	20%	0.204	C	C	.	.	S	Bend	trans	-128.8	161.8	-176.1	-66	177.8	55.6	0	0	111.1	Y162 W165 S166 E174 V175	Y162-M170 HydrophobicContact CE2-SD 4.29Å; W165-M170 HydrophobicContact CZ3-CG 4.49Å; W165-M170 HydrophobicContact CZ3-SD 4.1Å; S166-M170 PolarHBondContact O-N 3.46Å; M170-E174 HydrophobicContact CB-CB 4.19Å; M170-E174 HydrophobicContact CE-CB 3.55Å; M170-E174 HydrophobicContact CE-CG 4.35Å; M170-V175 HydrophobicContact CB-CG2 3.97Å
171	T	91	Very high	93	Very high	81 Å²	81	40.7 Å²	40.7	50%	0.497	22%	0.222	S	C	.	.			trans	-71.5	157.6	176.8	64.1	0	0	0	0	111.5	D173 E174 V175	T171-D173 VanDerWaalsContact C-N 3.28Å; T171-D173 PolarHBondContact O-N 2.96Å; T171-E174 WeakPolarHBondContact CB-OE2 3.31Å; T171-E174 PolarHBondContact N-OE2 3.33Å; T171-E174 WeakPolarHBondContact O-CB 3.05Å; T171-E174 PolarHBondContact O-N 2.93Å; T171-E174 WeakPolarHBondContact OG1-CG 3.43Å; T171-E174 PolarHBondContact OG1-OE2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.33Å; T171-V175 PolarHBondContact O-N 3.31Å
172	V	87.9	Confident	93.2	Very high	25 Å²	25	38.7 Å²	38.7	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-53.7	-43.3	-178.7	-172.9	0	0	0	0	112.7	E174 V175 R176 W207	V172-E174 VanDerWaalsContact C-N 3.33Å; V172-E174 PolarHBondContact O-N 3.17Å; V172-V175 PolarHBondContact O-N 2.73Å; V172-R176 WeakPolarHBondContact O-CG 3.45Å; V172-R176 PolarHBondContact O-N 3.03Å; V172-W207 HydrophobicContact CB-CZ2 4.31Å; V172-W207 HydrophobicContact CG1-CZ2 4Å; V172-W207 HydrophobicContact CG2-CH2 3.65Å; V172-W207 HydrophobicContact CG2-CZ2 3.32Å
173	D	90.5	Very high	93.1	Very high	120 Å²	120	39.2 Å²	39.2	64%	0.642	22%	0.215	S	C	*	.	H	α-helix	trans	-69.9	-32	-179.8	-69.5	-28.7	0	0	0	112.1	T171 R176 S177	T171-D173 VanDerWaalsContact C-N 3.28Å; T171-D173 PolarHBondContact O-N 2.96Å; D173-R176 IonicContact OD1-NH1 2.93Å; D173-S177 WeakPolarHBondContact O-CB 3.36Å; D173-S177 PolarHBondContact O-N 3.03Å
174	E	93.8	Very high	93	Very high	64 Å²	64	45 Å²	45	30%	0.299	25%	0.25	S	S	.	.	H	α-helix	trans	-71.4	-41.1	174.3	-69.5	175.2	113.7	0	0	112.2	R142 M170 T171 V172 S177 L178	R142-E174 IonicContact CZ-OE1 3.98Å; R142-E174 IonicContact NH1-OE1 3.82Å; R142-E174 PolarHBondContact NH1-OE1 2.6Å; R142-E174 IonicContact NH2-OE1 3.66Å; M170-E174 HydrophobicContact CB-CB 4.19Å; M170-E174 HydrophobicContact CE-CB 3.55Å; M170-E174 HydrophobicContact CE-CG 4.35Å; T171-E174 WeakPolarHBondContact CB-OE2 3.31Å; T171-E174 PolarHBondContact N-OE2 3.33Å; T171-E174 WeakPolarHBondContact O-CB 3.05Å; T171-E174 PolarHBondContact O-N 2.93Å; T171-E174 WeakPolarHBondContact OG1-CG 3.43Å; T171-E174 PolarHBondContact OG1-OE2 3.31Å; V172-E174 VanDerWaalsContact C-N 3.33Å; V172-E174 PolarHBondContact O-N 3.17Å; E174-S177 WeakPolarHBondContact O-CB 3.39Å; E174-S177 PolarHBondContact O-N 3.34Å; E174-L178 PolarHBondContact O-N 3.42Å
175	V	94.2	Very high	93.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-44.4	175.7	176.9	0	0	0	0	110.4	S166 M170 T171 V172 S177 L178 F179 Y203	S166-V175 WeakPolarHBondContact O-CG2 3.47Å; M170-V175 HydrophobicContact CB-CG2 3.97Å; T171-V175 WeakPolarHBondContact O-CG2 3.33Å; T171-V175 PolarHBondContact O-N 3.31Å; V172-V175 PolarHBondContact O-N 2.73Å; V175-S177 VanDerWaalsContact C-N 3.34Å; V175-S177 PolarHBondContact O-N 2.94Å; V175-L178 WeakPolarHBondContact O-CB 3.24Å; V175-L178 PolarHBondContact O-N 3.28Å; V175-L178 VanDerWaalsContact O-N 3.09Å; V175-F179 HydrophobicContact CG1-CD2 3.93Å; V175-F179 HydrophobicContact CG1-CE2 3.72Å; V175-F179 WeakPolarHBondContact O-CD2 3.43Å; V175-F179 PolarHBondContact O-N 3.05Å; V175-Y203 HydrophobicContact CB-CE1 4.5Å; V175-Y203 HydrophobicContact CG1-CD2 4.45Å; V175-Y203 HydrophobicContact CG1-CE1 3.98Å; V175-Y203 HydrophobicContact CG1-CE2 3.87Å
176	R	93.6	Very high	93.1	Very high	33 Å²	33	41.7 Å²	41.7	13%	0.125	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-44.9	172.8	-75.6	175.9	170.2	134.4	7.7	112	V172 D173 L178 F179 E180 Y203 E204	V172-R176 WeakPolarHBondContact O-CG 3.45Å; V172-R176 PolarHBondContact O-N 3.03Å; D173-R176 IonicContact OD1-NH1 2.93Å; R176-L178 VanDerWaalsContact C-N 3.25Å; R176-L178 PolarHBondContact O-N 3.48Å; R176-F179 PolarHBondContact O-N 3.02Å; R176-E180 WeakPolarHBondContact O-CG 3.35Å; R176-E180 PolarHBondContact O-N 2.93Å; R176-E180 VanDerWaalsContact O-N 3.07Å; R176-Y203 HydrophobicContact CG-CE1 4.34Å; R176-E204 IonicContact CZ-OE1 3.58Å; R176-E204 IonicContact CZ-OE2 2.65Å; R176-E204 IonicContact NE-OE1 2.75Å; R176-E204 PolarHBondContact NE-OE1 3.16Å; R176-E204 IonicContact NE-OE2 3.52Å; R176-E204 IonicContact NH2-OE1 2.79Å; R176-E204 IonicContact NH2-OE2 3.36Å; R176-E204 PolarHBondContact NH2-OE2 2.79Å
177	S	95.3	Very high	93.1	Very high	60 Å²	60	41.8 Å²	41.8	42%	0.42	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-36.6	175.3	-174.3	0	0	0	0	112	D173 E174 V175 E180 K181	D173-S177 WeakPolarHBondContact O-CB 3.36Å; D173-S177 PolarHBondContact O-N 3.03Å; E174-S177 WeakPolarHBondContact O-CB 3.39Å; E174-S177 PolarHBondContact O-N 3.34Å; V175-S177 VanDerWaalsContact C-N 3.34Å; V175-S177 PolarHBondContact O-N 2.94Å; S177-E180 PolarHBondContact O-N 3.42Å; S177-K181 WeakPolarHBondContact O-CG 3.26Å; S177-K181 PolarHBondContact O-N 3.15Å; S177-K181 VanDerWaalsContact O-N 3.09Å
178	L	96.1	Very high	93.3	Very high	5 Å²	5	43 Å²	43	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-45.4	176.3	-174.1	65.1	0	0	0	112	W159 Y162 I163 S166 E174 V175 R176 E180 K181 A182	W159-L178 HydrophobicContact CE3-CD1 4.45Å; W159-L178 HydrophobicContact CZ3-CD1 3.77Å; Y162-L178 HydrophobicContact CD1-CD1 3.55Å; Y162-L178 HydrophobicContact CD1-CD2 3.98Å; Y162-L178 HydrophobicContact CD1-CG 4.34Å; Y162-L178 HydrophobicContact CD2-CD2 4.01Å; Y162-L178 HydrophobicContact CE1-CD1 3.3Å; Y162-L178 HydrophobicContact CE1-CD2 4.13Å; Y162-L178 HydrophobicContact CE1-CG 4.36Å; Y162-L178 HydrophobicContact CE2-CD2 4.09Å; Y162-L178 HydrophobicContact CG-CD1 4.34Å; Y162-L178 HydrophobicContact CG-CD2 3.92Å; I163-L178 HydrophobicContact CG1-CD2 4.01Å; I163-L178 HydrophobicContact CG1-CG 4.2Å; S166-L178 WeakPolarHBondContact OG-CD2 3.1Å; E174-L178 PolarHBondContact O-N 3.42Å; V175-L178 WeakPolarHBondContact O-CB 3.24Å; V175-L178 PolarHBondContact O-N 3.28Å; V175-L178 VanDerWaalsContact O-N 3.09Å; R176-L178 VanDerWaalsContact C-N 3.25Å; R176-L178 PolarHBondContact O-N 3.48Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-E180 PolarHBondContact O-N 2.71Å; L178-K181 WeakPolarHBondContact O-CB 3.36Å; L178-K181 PolarHBondContact O-N 2.85Å; L178-K181 VanDerWaalsContact O-N 3.17Å; L178-A182 PolarHBondContact O-N 3.11Å
179	F	95.9	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-43.7	172.5	-83.6	-68.7	0	0	0	112	I163 V175 R176 K181 A182 I183 L196 C199 Y200 Y203	I163-F179 HydrophobicContact CD1-CD1 3.8Å; I163-F179 HydrophobicContact CD1-CE1 3.84Å; I163-F179 HydrophobicContact CG1-CD1 4.43Å; I163-F179 HydrophobicContact CG1-CE1 4.34Å; I163-F179 HydrophobicContact CG2-CD1 4.36Å; I163-F179 HydrophobicContact CG2-CE1 3.52Å; I163-F179 HydrophobicContact CG2-CE2 4.01Å; I163-F179 HydrophobicContact CG2-CZ 3.32Å; V175-F179 HydrophobicContact CG1-CD2 3.93Å; V175-F179 HydrophobicContact CG1-CE2 3.72Å; V175-F179 WeakPolarHBondContact O-CD2 3.43Å; V175-F179 PolarHBondContact O-N 3.05Å; R176-F179 PolarHBondContact O-N 3.02Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.36Å; F179-A182 PolarHBondContact O-N 3.47Å; F179-I183 WeakPolarHBondContact O-CB 3.33Å; F179-I183 WeakPolarHBondContact O-CD1 2.85Å; F179-I183 VanDerWaalsContact O-CG1 3.25Å; F179-I183 WeakPolarHBondContact O-CG1 3.31Å; F179-I183 PolarHBondContact O-N 2.97Å; F179-L196 HydrophobicContact CD1-CD1 4.33Å; F179-L196 HydrophobicContact CE1-CD1 4.46Å; F179-C199 HydrophobicContact CE1-CB 4.08Å; F179-C199 HydrophobicContact CZ-CB 4.45Å; F179-Y200 HydrophobicContact CB-CD1 4.09Å; F179-Y200 HydrophobicContact CB-CD2 3.97Å; F179-Y200 HydrophobicContact CB-CE1 4.02Å; F179-Y200 HydrophobicContact CB-CE2 3.95Å; F179-Y200 HydrophobicContact CB-CG 4.04Å; F179-Y200 HydrophobicContact CD1-CD1 4.43Å; F179-Y200 HydrophobicContact CD1-CD2 4.04Å; F179-Y200 AromaticContact CD1-CG 3.81Å; F179-Y200 HydrophobicContact CD1-CG 3.81Å; F179-Y200 AromaticContact CD2-CD2 3.73Å; F179-Y200 HydrophobicContact CD2-CD2 3.73Å; F179-Y200 HydrophobicContact CD2-CE2 4.05Å; F179-Y200 HydrophobicContact CD2-CG 4.35Å; F179-Y200 HydrophobicContact CE1-CD2 4.44Å; F179-Y200 HydrophobicContact CE1-CG 4.3Å; F179-Y200 HydrophobicContact CE2-CD2 4.17Å; F179-Y200 HydrophobicContact CG-CD1 4.37Å; F179-Y200 AromaticContact CG-CD2 3.66Å; F179-Y200 HydrophobicContact CG-CD2 3.66Å; F179-Y200 HydrophobicContact CG-CE2 4.06Å; F179-Y200 AromaticContact CG-CG 3.83Å; F179-Y200 HydrophobicContact CG-CG 3.83Å; F179-Y200 HydrophobicContact CZ-CD2 4.49Å; F179-Y203 HydrophobicContact CD2-CD1 4.44Å; F179-Y203 AromaticContact CE2-CD1 3.91Å; F179-Y203 HydrophobicContact CE2-CD1 3.91Å; F179-Y203 HydrophobicContact CE2-CD2 4.33Å; F179-Y203 AromaticContact CE2-CG 3.78Å; F179-Y203 HydrophobicContact CE2-CG 3.78Å; F179-Y203 HydrophobicContact CZ-CG 4.36Å
180	E	95.5	Very high	94	Very high	59 Å²	59	38.7 Å²	38.7	28%	0.276	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-37.3	178.1	-66.4	-58.4	154.4	0	0	112.8	R176 S177 L178 T184 Y200 R229	R176-E180 WeakPolarHBondContact O-CG 3.35Å; R176-E180 PolarHBondContact O-N 2.93Å; R176-E180 VanDerWaalsContact O-N 3.07Å; S177-E180 PolarHBondContact O-N 3.42Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-E180 PolarHBondContact O-N 2.71Å; E180-T184 WeakPolarHBondContact O-CB 3.23Å; E180-T184 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-OG1 3.28Å; E180-Y200 WeakPolarHBondContact OE1-CE1 3.43Å; E180-Y200 PolarHBondContact OE1-OH 3.38Å; E180-R229 VanDerWaalsContact CD-NH1 3.26Å; E180-R229 IonicContact OE1-CZ 2.74Å; E180-R229 IonicContact OE1-NH1 2.69Å; E180-R229 PolarHBondContact OE1-NH1 2.97Å; E180-R229 IonicContact OE1-NH2 3.57Å; E180-R229 IonicContact OE2-CZ 3.55Å; E180-R229 VanDerWaalsContact OE2-CZ 3.29Å; E180-R229 IonicContact OE2-NH1 3.51Å; E180-R229 PolarHBondContact OE2-NH1 3.23Å; E180-R229 IonicContact OE2-NH2 2.89Å; E180-R229 PolarHBondContact OE2-NH2 2.82Å
181	K	95	Very high	94	Very high	104 Å²	104	40.3 Å²	40.3	45%	0.452	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-46.1	172.8	-70.6	176.3	-178.1	-179.7	0	111.3	W159 S177 L178 F179 T184 A185	W159-K181 HydrophobicContact CH2-CB 3.86Å; W159-K181 HydrophobicContact CZ3-CB 4.16Å; S177-K181 WeakPolarHBondContact O-CG 3.26Å; S177-K181 PolarHBondContact O-N 3.15Å; S177-K181 VanDerWaalsContact O-N 3.09Å; L178-K181 WeakPolarHBondContact O-CB 3.36Å; L178-K181 PolarHBondContact O-N 2.85Å; L178-K181 VanDerWaalsContact O-N 3.17Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.36Å; K181-T184 WeakPolarHBondContact O-CB 3.19Å; K181-T184 PolarHBondContact O-N 3.45Å; K181-A185 PolarHBondContact O-N 3.45Å
182	A	95.9	Very high	94	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-46.5	178.5	0	0	0	0	0	111.5	W159 I163 L178 F179 T184 A185 V186 L196	W159-A182 HydrophobicContact CB-CB 4.43Å; W159-A182 HydrophobicContact CD2-CB 3.71Å; W159-A182 HydrophobicContact CE3-CB 3.43Å; W159-A182 VanDerWaalsContact CE3-CB 3.43Å; W159-A182 HydrophobicContact CG-CB 4.16Å; W159-A182 HydrophobicContact CZ3-CB 3.91Å; I163-A182 HydrophobicContact CD1-CB 3.94Å; L178-A182 PolarHBondContact O-N 3.11Å; F179-A182 PolarHBondContact O-N 3.47Å; A182-T184 VanDerWaalsContact C-N 3.28Å; A182-T184 PolarHBondContact O-N 3.46Å; A182-A185 PolarHBondContact O-N 2.92Å; A182-A185 VanDerWaalsContact O-N 3.08Å; A182-V186 VanDerWaalsContact O-CG2 3.26Å; A182-V186 WeakPolarHBondContact O-CG2 3.49Å; A182-V186 PolarHBondContact O-N 3.25Å; A182-L196 HydrophobicContact CB-CD1 4.05Å; A182-L196 HydrophobicContact CB-CD2 3.83Å
183	I	95	Very high	94.3	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-37.7	176.8	-70.5	163.7	0	0	0	111.6	F179 A185 G187 L196 W197 Y200	F179-I183 WeakPolarHBondContact O-CB 3.33Å; F179-I183 WeakPolarHBondContact O-CD1 2.85Å; F179-I183 VanDerWaalsContact O-CG1 3.25Å; F179-I183 WeakPolarHBondContact O-CG1 3.31Å; F179-I183 PolarHBondContact O-N 2.97Å; I183-A185 VanDerWaalsContact C-N 3.29Å; I183-A185 PolarHBondContact O-N 2.91Å; I183-G187 WeakPolarHBondContact O-CA 3.46Å; I183-G187 PolarHBondContact O-N 3.35Å; I183-L196 HydrophobicContact CG1-CD2 4.42Å; I183-W197 HydrophobicContact CD1-CE3 4.19Å; I183-W197 HydrophobicContact CD1-CH2 3.95Å; I183-W197 HydrophobicContact CD1-CZ2 4.47Å; I183-W197 HydrophobicContact CD1-CZ3 3.81Å; I183-W197 HydrophobicContact CG1-CH2 4.27Å; I183-W197 HydrophobicContact CG1-CZ2 4.29Å; I183-W197 HydrophobicContact CG1-CZ3 4.43Å; I183-W197 HydrophobicContact CG2-CH2 3.61Å; I183-W197 HydrophobicContact CG2-CZ2 3.51Å; I183-Y200 HydrophobicContact CD1-CD1 3.33Å; I183-Y200 HydrophobicContact CD1-CE1 3.49Å; I183-Y200 VanDerWaalsContact CD1-CE1 3.49Å; I183-Y200 HydrophobicContact CD1-CG 4.49Å
184	T	93.7	Very high	94.4	Very high	122 Å²	122	35.4 Å²	35.4	75%	0.748	20%	0.196	S	C	*	.	H	α-helix	trans	-65.6	-35.6	176.5	-58.2	0	0	0	0	111.6	E180 K181 A182	E180-T184 WeakPolarHBondContact O-CB 3.23Å; E180-T184 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-OG1 3.28Å; K181-T184 WeakPolarHBondContact O-CB 3.19Å; K181-T184 PolarHBondContact O-N 3.45Å; A182-T184 VanDerWaalsContact C-N 3.28Å; A182-T184 PolarHBondContact O-N 3.46Å
185	A	92.9	Very high	94.4	Very high	31 Å²	31	35 Å²	35	26%	0.256	20%	0.198	S	C	.	.	H	α-helix	trans	-80.3	-48.9	-178.5	0	0	0	0	0	113.2	W159 K181 A182 I183	W159-A185 HydrophobicContact CZ2-CB 3.82Å; K181-A185 PolarHBondContact O-N 3.45Å; A182-A185 PolarHBondContact O-N 2.92Å; A182-A185 VanDerWaalsContact O-N 3.08Å; I183-A185 VanDerWaalsContact C-N 3.29Å; I183-A185 PolarHBondContact O-N 2.91Å
186	V	94.6	Very high	94.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-128.1	-0.5	-170.2	-64.8	0	0	0	0	114.3	A154 F156 W159 A182 L188 H189 L196	A154-V186 HydrophobicContact CB-CG1 4.44Å; F156-V186 HydrophobicContact CD2-CG2 4.2Å; W159-V186 HydrophobicContact CG-CG2 4.38Å; A182-V186 VanDerWaalsContact O-CG2 3.26Å; A182-V186 WeakPolarHBondContact O-CG2 3.49Å; A182-V186 PolarHBondContact O-N 3.25Å; V186-L188 PolarHBondContact O-N 2.76Å; V186-H189 WeakPolarHBondContact O-CB 3.45Å; V186-H189 PolarHBondContact O-N 2.91Å; V186-L196 HydrophobicContact CG2-CD2 3.58Å
187	G	94.4	Very high	94.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.2	-176.7	0	0	0	0	0	115.4	I183 W197 V233	I183-G187 WeakPolarHBondContact O-CA 3.46Å; I183-G187 PolarHBondContact O-N 3.35Å; G187-W197 PolarHBondContact O-NE1 3.31Å; G187-W197 VanDerWaalsContact O-NE1 3.08Å; G187-V233 WeakPolarHBondContact O-CG1 3.4Å
188	L	95.4	Very high	94.4	Very high	58 Å²	58	32.3 Å²	32.3	30%	0.304	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	3.9	172.5	-61.7	-179.4	0	0	0	113.4	V186 V190 V233 A304 R305 C308	V186-L188 PolarHBondContact O-N 2.76Å; L188-V190 PolarHBondContact O-N 3.39Å; L188-V233 HydrophobicContact CD2-CG1 4.23Å; L188-V233 HydrophobicContact CD2-CG2 4.24Å; L188-A304 HydrophobicContact CD1-CB 3.91Å; L188-R305 HydrophobicContact CD1-CG 4.35Å; L188-C308 HydrophobicContact CB-CB 4.36Å
189	H	95.2	Very high	94.3	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.069	18%	0.182	C	C	.	.			trans	-66.3	117.9	178.3	-170.5	-50.3	0	0	0	110.5	V186 A191 Q192 A193 R312	V186-H189 WeakPolarHBondContact O-CB 3.45Å; V186-H189 PolarHBondContact O-N 2.91Å; H189-A191 PolarHBondContact ND1-N 2.99Å; H189-A191 PolarHBondContact O-N 2.8Å; H189-Q192 PolarHBondContact ND1-N 3.47Å; H189-Q192 VanDerWaalsContact ND1-N 3.17Å; H189-A193 HydrophobicContact CB-CB 4.12Å; H189-A193 WeakPolarHBondContact O-CB 3.36Å; H189-A193 PolarHBondContact O-N 3.33Å; H189-R312 VanDerWaalsContact CD2-CD 3.47Å; H189-R312 WeakPolarHBondContact CD2-CD 3.31Å; H189-R312 PolarHBondContact CD2-NE 3.42Å; H189-R312 PolarHBondContact CE1-NE 3.11Å; H189-R312 PolarHBondContact CE1-NH2 3.27Å; H189-R312 PolarHBondContact NE2-NE 2.91Å
190	V	95.4	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-46.3	-170	-175.8	0	0	0	0	112.5	L188 A235 E236 L269 L272 E276	L188-V190 PolarHBondContact O-N 3.39Å; V190-A235 CarbonylContact O-C 3.58Å; V190-A235 VanDerWaalsContact O-CA 3.29Å; V190-A235 WeakPolarHBondContact O-CA 3.35Å; V190-A235 WeakPolarHBondContact O-CB 3.49Å; V190-E236 PolarHBondContact O-N 3.3Å; V190-L269 HydrophobicContact CG1-CD1 3.63Å; V190-L272 HydrophobicContact CG2-CD1 4.06Å; V190-E276 HydrophobicContact CB-CG 3.98Å; V190-E276 VanDerWaalsContact CB-OE1 3.27Å; V190-E276 WeakPolarHBondContact CB-OE1 3.26Å; V190-E276 HydrophobicContact CG1-CG 3.78Å; V190-E276 WeakPolarHBondContact CG2-OE1 3.26Å
191	A	93.4	Very high	94.2	Very high	54 Å²	54	30.4 Å²	30.4	45%	0.446	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-33.9	-176.9	0	0	0	0	0	115.1	H189	H189-A191 PolarHBondContact ND1-N 2.99Å; H189-A191 PolarHBondContact O-N 2.8Å
192	Q	91.3	Very high	94	Very high	87 Å²	87	28.6 Å²	28.6	41%	0.407	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-17.2	-167.3	-65.9	177.9	-12.9	0	0	114.7	F156 H189 D194 V195	F156-Q192 HydrophobicContact CD1-CB 4.17Å; F156-Q192 HydrophobicContact CD2-CB 4.11Å; F156-Q192 HydrophobicContact CE1-CB 4.25Å; F156-Q192 HydrophobicContact CE2-CB 4.22Å; F156-Q192 VanDerWaalsContact CE2-O 3.25Å; F156-Q192 WeakPolarHBondContact CE2-O 3.42Å; F156-Q192 HydrophobicContact CG-CB 4.11Å; F156-Q192 HydrophobicContact CZ-CB 4.32Å; F156-Q192 WeakPolarHBondContact CZ-O 3.33Å; H189-Q192 PolarHBondContact ND1-N 3.47Å; H189-Q192 VanDerWaalsContact ND1-N 3.17Å; Q192-D194 PolarHBondContact O-N 2.93Å; Q192-D194 VanDerWaalsContact O-N 3.11Å; Q192-V195 PolarHBondContact O-N 2.95Å
193	A	93.2	Very high	93.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-27	-172.3	0	0	0	0	0	113.4	H189 V195 L196 W197 A235	H189-A193 HydrophobicContact CB-CB 4.12Å; H189-A193 WeakPolarHBondContact O-CB 3.36Å; H189-A193 PolarHBondContact O-N 3.33Å; A193-V195 VanDerWaalsContact C-N 3.26Å; A193-V195 PolarHBondContact O-N 3.27Å; A193-L196 PolarHBondContact O-N 3.46Å; A193-L196 VanDerWaalsContact O-N 3.14Å; A193-W197 PolarHBondContact O-N 2.89Å; A193-A235 HydrophobicContact CB-CB 4.46Å
194	D	93.3	Very high	93.6	Very high	37 Å²	37	28.8 Å²	28.8	20%	0.198	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-37.9	-178.5	-174.1	51.4	0	0	0	112.8	Q192 L196 W197 S198 R201 Q230 E236	Q192-D194 PolarHBondContact O-N 2.93Å; Q192-D194 VanDerWaalsContact O-N 3.11Å; D194-L196 PolarHBondContact O-N 3.32Å; D194-W197 PolarHBondContact O-N 3.29Å; D194-S198 VanDerWaalsContact O-CB 3.27Å; D194-S198 WeakPolarHBondContact O-CB 3.26Å; D194-S198 PolarHBondContact O-N 3.27Å; D194-R201 IonicContact OD1-NH1 3.13Å; D194-Q230 PolarHBondContact OD1-NE2 3.45Å; D194-E236 WeakPolarHBondContact CB-O 3.47Å
195	V	93.1	Very high	93.4	Very high	56 Å²	56	26.7 Å²	26.7	34%	0.339	15%	0.145	S	C	.	.	H	α-helix	trans	-62.2	-45.2	177.1	175.9	0	0	0	0	110.7	F156 L160 Q192 A193 S198 C199	F156-V195 HydrophobicContact CE1-CB 4.14Å; F156-V195 HydrophobicContact CE1-CG1 4.25Å; F156-V195 HydrophobicContact CZ-CB 3.78Å; F156-V195 HydrophobicContact CZ-CG1 4.15Å; L160-V195 HydrophobicContact CD1-CG1 3.97Å; L160-V195 HydrophobicContact CD2-CG1 4.36Å; Q192-V195 PolarHBondContact O-N 2.95Å; A193-V195 VanDerWaalsContact C-N 3.26Å; A193-V195 PolarHBondContact O-N 3.27Å; V195-S198 WeakPolarHBondContact O-CB 3.46Å; V195-S198 PolarHBondContact O-N 2.72Å; V195-C199 PolarHBondContact O-N 3.33Å; V195-C199 PolarHBondContact O-SG 3.04Å
196	L	94.2	Very high	93.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-42.6	177.1	173.3	66.2	0	0	0	112	F156 L160 I163 F179 A182 I183 V186 A193 D194 S198 C199 Y200	F156-L196 HydrophobicContact CE2-CB 3.65Å; F156-L196 HydrophobicContact CZ-CB 3.98Å; L160-L196 HydrophobicContact CD2-CB 4.49Å; L160-L196 HydrophobicContact CD2-CD1 4.34Å; I163-L196 HydrophobicContact CD1-CD1 3.26Å; F179-L196 HydrophobicContact CD1-CD1 4.33Å; F179-L196 HydrophobicContact CE1-CD1 4.46Å; A182-L196 HydrophobicContact CB-CD1 4.05Å; A182-L196 HydrophobicContact CB-CD2 3.83Å; I183-L196 HydrophobicContact CG1-CD2 4.42Å; V186-L196 HydrophobicContact CG2-CD2 3.58Å; A193-L196 PolarHBondContact O-N 3.46Å; A193-L196 VanDerWaalsContact O-N 3.14Å; D194-L196 PolarHBondContact O-N 3.32Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-C199 PolarHBondContact O-N 3.36Å; L196-Y200 PolarHBondContact O-N 3.04Å; L196-Y200 VanDerWaalsContact O-N 3.14Å
197	W	95.8	Very high	92.5	Very high	6 Å²	6	27.2 Å²	27.2	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-41.4	176.1	-77.2	108.6	0	0	0	111.1	I183 G187 A193 D194 Y200 R201 V226 R229 Q230 V233	I183-W197 HydrophobicContact CD1-CE3 4.19Å; I183-W197 HydrophobicContact CD1-CH2 3.95Å; I183-W197 HydrophobicContact CD1-CZ2 4.47Å; I183-W197 HydrophobicContact CD1-CZ3 3.81Å; I183-W197 HydrophobicContact CG1-CH2 4.27Å; I183-W197 HydrophobicContact CG1-CZ2 4.29Å; I183-W197 HydrophobicContact CG1-CZ3 4.43Å; I183-W197 HydrophobicContact CG2-CH2 3.61Å; I183-W197 HydrophobicContact CG2-CZ2 3.51Å; G187-W197 PolarHBondContact O-NE1 3.31Å; G187-W197 VanDerWaalsContact O-NE1 3.08Å; A193-W197 PolarHBondContact O-N 2.89Å; D194-W197 PolarHBondContact O-N 3.29Å; W197-Y200 PolarHBondContact O-N 3.25Å; W197-Y200 VanDerWaalsContact O-N 3.1Å; W197-R201 WeakPolarHBondContact O-CG 3.42Å; W197-R201 PolarHBondContact O-N 3.43Å; W197-V226 HydrophobicContact CE3-CG1 4.06Å; W197-V226 HydrophobicContact CZ3-CG1 4.16Å; W197-R229 HydrophobicContact CH2-CB 3.95Å; W197-R229 HydrophobicContact CZ3-CB 4.11Å; W197-Q230 HydrophobicContact CB-CG 3.98Å; W197-Q230 HydrophobicContact CD2-CB 3.94Å; W197-Q230 HydrophobicContact CD2-CG 3.87Å; W197-Q230 HydrophobicContact CE3-CB 3.85Å; W197-Q230 HydrophobicContact CE3-CG 4.27Å; W197-Q230 HydrophobicContact CG-CB 4.31Å; W197-Q230 HydrophobicContact CG-CG 3.72Å; W197-Q230 HydrophobicContact CZ3-CB 4.28Å; W197-V233 HydrophobicContact CZ2-CG2 3.94Å
198	S	94	Very high	91.7	Very high	30 Å²	30	28.5 Å²	28.5	21%	0.21	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-48.5	176	-169.9	0	0	0	0	111.1	D194 V195 L196 Y200 R201 E202	D194-S198 VanDerWaalsContact O-CB 3.27Å; D194-S198 WeakPolarHBondContact O-CB 3.26Å; D194-S198 PolarHBondContact O-N 3.27Å; V195-S198 WeakPolarHBondContact O-CB 3.46Å; V195-S198 PolarHBondContact O-N 2.72Å; L196-S198 VanDerWaalsContact C-N 3.32Å; S198-Y200 VanDerWaalsContact C-N 3.25Å; S198-Y200 PolarHBondContact O-N 2.89Å; S198-R201 PolarHBondContact O-N 3Å; S198-R201 VanDerWaalsContact O-N 3.12Å; S198-E202 WeakPolarHBondContact O-CB 3.3Å; S198-E202 PolarHBondContact O-N 2.81Å
199	C	93.5	Very high	90.8	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.02	17%	0.169	C	C	.	.	H	α-helix	trans	-54.6	-40.9	173.4	-67.2	0	0	0	0	112.5	F13 F179 V195 L196 Y203	F13-C199 HydrophobicContact CE1-CB 4.38Å; F13-C199 HydrophobicContact CZ-CB 3.86Å; F179-C199 HydrophobicContact CE1-CB 4.08Å; F179-C199 HydrophobicContact CZ-CB 4.45Å; V195-C199 PolarHBondContact O-N 3.33Å; V195-C199 PolarHBondContact O-SG 3.04Å; L196-C199 PolarHBondContact O-N 3.36Å; C199-Y203 VanDerWaalsContact O-CB 3.32Å; C199-Y203 WeakPolarHBondContact O-CB 3.22Å; C199-Y203 PolarHBondContact O-N 3.18Å
200	Y	94.6	Very high	89.6	Confident	12 Å²	12	33 Å²	33	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-71.6	-39.9	178.6	-166.6	-168.1	0	0	0	112.6	F179 E180 I183 L196 W197 S198 E202 Y203 E204 V226	F179-Y200 HydrophobicContact CB-CD1 4.09Å; F179-Y200 HydrophobicContact CB-CD2 3.97Å; F179-Y200 HydrophobicContact CB-CE1 4.02Å; F179-Y200 HydrophobicContact CB-CE2 3.95Å; F179-Y200 HydrophobicContact CB-CG 4.04Å; F179-Y200 HydrophobicContact CD1-CD1 4.43Å; F179-Y200 HydrophobicContact CD1-CD2 4.04Å; F179-Y200 AromaticContact CD1-CG 3.81Å; F179-Y200 HydrophobicContact CD1-CG 3.81Å; F179-Y200 AromaticContact CD2-CD2 3.73Å; F179-Y200 HydrophobicContact CD2-CD2 3.73Å; F179-Y200 HydrophobicContact CD2-CE2 4.05Å; F179-Y200 HydrophobicContact CD2-CG 4.35Å; F179-Y200 HydrophobicContact CE1-CD2 4.44Å; F179-Y200 HydrophobicContact CE1-CG 4.3Å; F179-Y200 HydrophobicContact CE2-CD2 4.17Å; F179-Y200 HydrophobicContact CG-CD1 4.37Å; F179-Y200 AromaticContact CG-CD2 3.66Å; F179-Y200 HydrophobicContact CG-CD2 3.66Å; F179-Y200 HydrophobicContact CG-CE2 4.06Å; F179-Y200 AromaticContact CG-CG 3.83Å; F179-Y200 HydrophobicContact CG-CG 3.83Å; F179-Y200 HydrophobicContact CZ-CD2 4.49Å; E180-Y200 WeakPolarHBondContact OE1-CE1 3.43Å; E180-Y200 PolarHBondContact OE1-OH 3.38Å; I183-Y200 HydrophobicContact CD1-CD1 3.33Å; I183-Y200 HydrophobicContact CD1-CE1 3.49Å; I183-Y200 VanDerWaalsContact CD1-CE1 3.49Å; I183-Y200 HydrophobicContact CD1-CG 4.49Å; L196-Y200 PolarHBondContact O-N 3.04Å; L196-Y200 VanDerWaalsContact O-N 3.14Å; W197-Y200 PolarHBondContact O-N 3.25Å; W197-Y200 VanDerWaalsContact O-N 3.1Å; S198-Y200 VanDerWaalsContact C-N 3.25Å; S198-Y200 PolarHBondContact O-N 2.89Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; Y200-Y203 PolarHBondContact O-N 2.89Å; Y200-E204 HydrophobicContact CD2-CG 4.06Å; Y200-E204 HydrophobicContact CE2-CG 3.87Å; Y200-E204 PolarHBondContact O-N 3.08Å; Y200-E204 VanDerWaalsContact O-N 3.08Å; Y200-V226 HydrophobicContact CD1-CG1 3.92Å; Y200-V226 HydrophobicContact CD1-CG2 4.19Å; Y200-V226 HydrophobicContact CE1-CG1 4.48Å; Y200-V226 HydrophobicContact CE1-CG2 4.02Å; Y200-V226 HydrophobicContact CE2-CG2 4.46Å; Y200-V226 HydrophobicContact CG-CG1 4.26Å
201	R	94	Very high	88.1	Confident	8 Å²	8	35.4 Å²	35.4	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-45.2	175	-64.8	-162.6	-48.9	-79.4	3.2	110.4	D194 W197 S198 E204 R205 L223 V226 Y227 Q230 E244	D194-R201 IonicContact OD1-NH1 3.13Å; W197-R201 WeakPolarHBondContact O-CG 3.42Å; W197-R201 PolarHBondContact O-N 3.43Å; S198-R201 PolarHBondContact O-N 3Å; S198-R201 VanDerWaalsContact O-N 3.12Å; R201-E204 PolarHBondContact O-N 2.82Å; R201-R205 WeakPolarHBondContact O-CB 3.45Å; R201-R205 PolarHBondContact O-N 3.41Å; R201-L223 HydrophobicContact CB-CD1 4.48Å; R201-L223 WeakPolarHBondContact O-CD1 3.31Å; R201-V226 HydrophobicContact CG-CG1 3.91Å; R201-Y227 VanDerWaalsContact CD-CZ 3.44Å; R201-Y227 HydrophobicContact CG-CE2 4.48Å; R201-Q230 VanDerWaalsContact NH1-CD 3.34Å; R201-E244 IonicContact CZ-OE2 2.9Å; R201-E244 IonicContact NE-OE2 3.23Å; R201-E244 PolarHBondContact NE-OE2 3.48Å; R201-E244 IonicContact NH2-OE1 2.88Å; R201-E244 PolarHBondContact NH2-OE1 3.41Å; R201-E244 IonicContact NH2-OE2 3.55Å; R201-E244 PolarHBondContact NH2-OE2 3.23Å; R201-E244 VanDerWaalsContact NH2-OE2 3.17Å
202	E	91.5	Very high	86.3	Confident	66 Å²	66	40.4 Å²	40.4	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-68.1	-42.4	-179	-164.6	55.4	-144.5	0	0	111.5	F13 S198 Y200 E204 R205 C206	F13-E202 HydrophobicContact CD2-CG 4.35Å; F13-E202 HydrophobicContact CE2-CB 3.98Å; F13-E202 HydrophobicContact CE2-CG 4.09Å; S198-E202 WeakPolarHBondContact O-CB 3.3Å; S198-E202 PolarHBondContact O-N 2.81Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.18Å; E202-R205 WeakPolarHBondContact O-CA 3.46Å; E202-R205 WeakPolarHBondContact O-CB 3.3Å; E202-R205 PolarHBondContact O-N 3.32Å; E202-R205 VanDerWaalsContact O-N 3.07Å; E202-R205 WeakPolarHBondContact OE2-CD 3.48Å; E202-R205 IonicContact OE2-NE 3.92Å; E202-C206 PolarHBondContact O-N 2.76Å; E202-C206 PolarHBondContact O-SG 3.33Å
203	Y	91.6	Very high	84.7	Confident	13 Å²	13	42.5 Å²	42.5	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-47.5	174	-176.2	-99.2	0	0	0	112.6	V175 R176 F179 C199 Y200 R205 C206 W207	V175-Y203 HydrophobicContact CB-CE1 4.5Å; V175-Y203 HydrophobicContact CG1-CD2 4.45Å; V175-Y203 HydrophobicContact CG1-CE1 3.98Å; V175-Y203 HydrophobicContact CG1-CE2 3.87Å; R176-Y203 HydrophobicContact CG-CE1 4.34Å; F179-Y203 HydrophobicContact CD2-CD1 4.44Å; F179-Y203 AromaticContact CE2-CD1 3.91Å; F179-Y203 HydrophobicContact CE2-CD1 3.91Å; F179-Y203 HydrophobicContact CE2-CD2 4.33Å; F179-Y203 AromaticContact CE2-CG 3.78Å; F179-Y203 HydrophobicContact CE2-CG 3.78Å; F179-Y203 HydrophobicContact CZ-CG 4.36Å; C199-Y203 VanDerWaalsContact O-CB 3.32Å; C199-Y203 WeakPolarHBondContact O-CB 3.22Å; C199-Y203 PolarHBondContact O-N 3.18Å; Y200-Y203 PolarHBondContact O-N 2.89Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-C206 PolarHBondContact O-N 3.42Å; Y203-W207 AromaticContact CE1-CD1 3.89Å; Y203-W207 AromaticContact CE1-NE1 3.56Å; Y203-W207 AromaticContact CE2-NE1 3.93Å; Y203-W207 AromaticContact CZ-NE1 3.37Å; Y203-W207 VanDerWaalsContact O-CD1 3.23Å; Y203-W207 PolarHBondContact OH-NE1 2.86Å
204	E	90.7	Very high	83.1	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-31.2	176.4	-68.7	-66.8	175.6	0	0	112.3	R176 Y200 R201 E202 W207 T208 L223 V226	R176-E204 IonicContact CZ-OE1 3.58Å; R176-E204 IonicContact CZ-OE2 2.65Å; R176-E204 IonicContact NE-OE1 2.75Å; R176-E204 PolarHBondContact NE-OE1 3.16Å; R176-E204 IonicContact NE-OE2 3.52Å; R176-E204 IonicContact NH2-OE1 2.79Å; R176-E204 IonicContact NH2-OE2 3.36Å; R176-E204 PolarHBondContact NH2-OE2 2.79Å; Y200-E204 HydrophobicContact CD2-CG 4.06Å; Y200-E204 HydrophobicContact CE2-CG 3.87Å; Y200-E204 PolarHBondContact O-N 3.08Å; Y200-E204 VanDerWaalsContact O-N 3.08Å; R201-E204 PolarHBondContact O-N 2.82Å; E202-E204 PolarHBondContact O-N 3.18Å; E204-W207 PolarHBondContact O-N 3.44Å; E204-T208 WeakPolarHBondContact O-CG2 3.25Å; E204-T208 PolarHBondContact O-N 3.47Å; E204-T208 VanDerWaalsContact O-N 3.15Å; E204-L223 HydrophobicContact CB-CB 4.49Å; E204-L223 HydrophobicContact CB-CD1 4.08Å; E204-V226 HydrophobicContact CG-CG2 4.39Å
205	R	89.4	Confident	81.7	Confident	78 Å²	78	48.4 Å²	48.4	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.6	-173.8	-175.7	-68.8	-106.4	-0.8	111.3	R201 E202 Y203 W207 T208 L209 L223 Y227	R201-R205 WeakPolarHBondContact O-CB 3.45Å; R201-R205 PolarHBondContact O-N 3.41Å; E202-R205 WeakPolarHBondContact O-CA 3.46Å; E202-R205 WeakPolarHBondContact O-CB 3.3Å; E202-R205 PolarHBondContact O-N 3.32Å; E202-R205 VanDerWaalsContact O-N 3.07Å; E202-R205 WeakPolarHBondContact OE2-CD 3.48Å; E202-R205 IonicContact OE2-NE 3.92Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; R205-W207 VanDerWaalsContact C-N 3.26Å; R205-W207 PolarHBondContact O-N 2.97Å; R205-T208 PolarHBondContact O-N 3.31Å; R205-T208 PolarHBondContact O-OG1 2.94Å; R205-L209 HydrophobicContact CG-CD1 4.45Å; R205-L209 PolarHBondContact O-N 3.47Å; R205-L209 VanDerWaalsContact O-N 3.16Å; R205-L223 HydrophobicContact CB-CD2 4.48Å; R205-Y227 PolarHBondContact NH2-OH 2.93Å
206	C	86.6	Confident	80.6	Confident	13 Å²	13	48.6 Å²	48.6	9%	0.088	26%	0.264	C	S	.	.	H	α-helix	trans	-55.9	-40.8	175.9	-62.1	0	0	0	0	112	C9 E202 Y203 L209 A210	C9-C206 WeakPolarHBondContact SG-CB 3.5Å; E202-C206 PolarHBondContact O-N 2.76Å; E202-C206 PolarHBondContact O-SG 3.33Å; Y203-C206 PolarHBondContact O-N 3.42Å; C206-L209 PolarHBondContact O-N 2.63Å; C206-A210 VanDerWaalsContact O-CB 3.3Å; C206-A210 WeakPolarHBondContact O-CB 2.8Å; C206-A210 PolarHBondContact O-N 2.89Å
207	W	82.4	Confident	79.6	Confident	31 Å²	31	51 Å²	51	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-34.3	176	-73.7	106.2	0	0	0	113.4	V5 V172 Y203 E204 R205 L209	V5-W207 HydrophobicContact CG1-CH2 4.22Å; V5-W207 HydrophobicContact CG1-CZ2 4.47Å; V5-W207 HydrophobicContact CG1-CZ3 4.28Å; V172-W207 HydrophobicContact CB-CZ2 4.31Å; V172-W207 HydrophobicContact CG1-CZ2 4Å; V172-W207 HydrophobicContact CG2-CH2 3.65Å; V172-W207 HydrophobicContact CG2-CZ2 3.32Å; Y203-W207 AromaticContact CE1-CD1 3.89Å; Y203-W207 AromaticContact CE1-NE1 3.56Å; Y203-W207 AromaticContact CE2-NE1 3.93Å; Y203-W207 AromaticContact CZ-NE1 3.37Å; Y203-W207 VanDerWaalsContact O-CD1 3.23Å; Y203-W207 PolarHBondContact OH-NE1 2.86Å; E204-W207 PolarHBondContact O-N 3.44Å; R205-W207 VanDerWaalsContact C-N 3.26Å; R205-W207 PolarHBondContact O-N 2.97Å; W207-L209 VanDerWaalsContact C-N 3.25Å; W207-L209 PolarHBondContact O-N 2.8Å
208	T	77.4	Confident	78.8	Confident	28 Å²	28	55.8 Å²	55.8	17%	0.172	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-29.6	173.5	64.3	0	0	0	0	113.1	E204 R205 H219 L223	E204-T208 WeakPolarHBondContact O-CG2 3.25Å; E204-T208 PolarHBondContact O-N 3.47Å; E204-T208 VanDerWaalsContact O-N 3.15Å; R205-T208 PolarHBondContact O-N 3.31Å; R205-T208 PolarHBondContact O-OG1 2.94Å; T208-H219 HydrophobicContact CG2-CB 3.79Å; T208-L223 HydrophobicContact CG2-CB 4.41Å; T208-L223 HydrophobicContact CG2-CD2 4.32Å
209	L	75.8	Confident	78.1	Confident	137 Å²	137	54.8 Å²	54.8	72%	0.717	30%	0.303	S	S	*	.	H	α-helix	trans	-85.3	-32.9	179.3	-66.9	172	0	0	0	112.9	R205 C206 W207	R205-L209 HydrophobicContact CG-CD1 4.45Å; R205-L209 PolarHBondContact O-N 3.47Å; R205-L209 VanDerWaalsContact O-N 3.16Å; C206-L209 PolarHBondContact O-N 2.63Å; W207-L209 VanDerWaalsContact C-N 3.25Å; W207-L209 PolarHBondContact O-N 2.8Å
210	A	70.5	Confident	77.6	Confident	31 Å²	31	57.9 Å²	57.9	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-74.1	-27	-174.1	0	0	0	0	0	114.6	V5 C206	V5-A210 HydrophobicContact CB-CB 4.36Å; V5-A210 HydrophobicContact CG1-CB 3.81Å; V5-A210 HydrophobicContact CG2-CB 3.51Å; C206-A210 VanDerWaalsContact O-CB 3.3Å; C206-A210 WeakPolarHBondContact O-CB 2.8Å; C206-A210 PolarHBondContact O-N 2.89Å
211	E	64.4	Low	77.2	Confident	49 Å²	49	62 Å²	62	23%	0.229	34%	0.337	C	S	.	.			trans	-89.9	116.3	-166.7	-118.7	-177.5	-148.8	0	0	114.3	E215 H219	E211-E215 WeakPolarHBondContact OE2-CB 3.43Å; E211-H219 VanDerWaalsContact CD-CD2 3.43Å; E211-H219 IonicContact OE1-CD2 3.76Å; E211-H219 IonicContact OE1-CE1 3.87Å; E211-H219 IonicContact OE1-NE2 2.8Å; E211-H219 PolarHBondContact OE1-NE2 3.11Å; E211-H219 IonicContact OE2-CD2 3.99Å; E211-H219 PolarHBondContact OE2-CD2 2.7Å; E211-H219 IonicContact OE2-NE2 2.63Å; E211-H219 PolarHBondContact OE2-NE2 2.92Å
212	Q	55.9	Low	76.9	Confident	160 Å²	160	65.1 Å²	65.1	75%	0.748	35%	0.35	S	S	*	.			trans	-92.4	-6.4	177.2	-63.6	-179.7	-3.9	0	0	113.5	G214	Q212-G214 PolarHBondContact O-N 3.12Å
213	N	56.4	Low	76.8	Confident	130 Å²	130	62.1 Å²	62.1	70%	0.695	34%	0.337	S	S	*	.	S	Bend	trans	-94.7	17.8	-163.8	-72.3	-18.2	0	0	0	116	E215	N213-E215 PolarHBondContact O-N 3.33Å
214	G	59.9	Low	76.8	Confident	70 Å²	70	61.7 Å²	61.7	72%	0.722	34%	0.335	S	S	*	.	S	Bend	trans	83.2	2.9	172.1	0	0	0	0	0	116.4	Q212 V216	Q212-G214 PolarHBondContact O-N 3.12Å; G214-V216 VanDerWaalsContact C-N 3.35Å
215	E	64.7	Low	76.9	Confident	91 Å²	91	69.6 Å²	69.6	43%	0.425	37%	0.365	S	S	.	.			trans	-91.7	10.2	172.4	-68.7	-170.9	176.6	0	0	113.8	E211 N213 G217 Q218 H219	E211-E215 WeakPolarHBondContact OE2-CB 3.43Å; N213-E215 PolarHBondContact O-N 3.33Å; E215-G217 PolarHBondContact O-N 3.41Å; E215-Q218 WeakPolarHBondContact O-CB 3.34Å; E215-Q218 PolarHBondContact O-N 2.95Å; E215-H219 PolarHBondContact O-N 3.19Å
216	V	69.8	Low	77.1	Confident	60 Å²	60	66.1 Å²	66.1	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-46.7	-39.4	178.8	-178.3	0	0	0	0	112.3	G214 Q218 H219 Q220	G214-V216 VanDerWaalsContact C-N 3.35Å; V216-Q218 VanDerWaalsContact C-N 3.33Å; V216-Q218 PolarHBondContact O-N 3.07Å; V216-H219 PolarHBondContact O-N 2.88Å; V216-Q220 VanDerWaalsContact O-CB 3.25Å; V216-Q220 WeakPolarHBondContact O-CB 3.49Å; V216-Q220 PolarHBondContact O-N 3.36Å
217	G	73.4	Confident	77.5	Confident	50 Å²	50	65.5 Å²	65.5	52%	0.515	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-32.6	177.9	0	0	0	0	0	114.3	E215 E221	E215-G217 PolarHBondContact O-N 3.41Å; G217-E221 PolarHBondContact O-N 3.23Å; G217-E221 VanDerWaalsContact O-N 3.11Å
218	Q	78.1	Confident	78.1	Confident	108 Å²	108	67.8 Å²	67.8	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-72	-46	178.1	-61.2	-172.1	28.4	0	0	111.4	E215 V216 E221 K222	E215-Q218 WeakPolarHBondContact O-CB 3.34Å; E215-Q218 PolarHBondContact O-N 2.95Å; V216-Q218 VanDerWaalsContact C-N 3.33Å; V216-Q218 PolarHBondContact O-N 3.07Å; Q218-E221 PolarHBondContact O-N 3.11Å; Q218-K222 WeakPolarHBondContact O-CG 3.42Å; Q218-K222 PolarHBondContact O-N 3.16Å
219	H	79.3	Confident	78.9	Confident	9 Å²	9	69.9 Å²	69.9	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-70.9	-33.9	177.5	-62.6	-62.5	0	0	0	112.1	T208 E211 E215 V216 E221 K222 L223	T208-H219 HydrophobicContact CG2-CB 3.79Å; E211-H219 VanDerWaalsContact CD-CD2 3.43Å; E211-H219 IonicContact OE1-CD2 3.76Å; E211-H219 IonicContact OE1-CE1 3.87Å; E211-H219 IonicContact OE1-NE2 2.8Å; E211-H219 PolarHBondContact OE1-NE2 3.11Å; E211-H219 IonicContact OE2-CD2 3.99Å; E211-H219 PolarHBondContact OE2-CD2 2.7Å; E211-H219 IonicContact OE2-NE2 2.63Å; E211-H219 PolarHBondContact OE2-NE2 2.92Å; E215-H219 PolarHBondContact O-N 3.19Å; V216-H219 PolarHBondContact O-N 2.88Å; H219-E221 VanDerWaalsContact C-N 3.3Å; H219-E221 PolarHBondContact O-N 2.74Å; H219-K222 PolarHBondContact ND1-NZ 3.39Å; H219-K222 WeakPolarHBondContact O-CB 3.43Å; H219-K222 PolarHBondContact O-N 3.45Å; H219-L223 PolarHBondContact O-N 3.22Å
220	Q	83.3	Confident	79.9	Confident	68 Å²	68	63.7 Å²	63.7	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-40	172.3	-170.9	173.4	13.9	0	0	111.5	V216 L223 L224	V216-Q220 VanDerWaalsContact O-CB 3.25Å; V216-Q220 WeakPolarHBondContact O-CB 3.49Å; V216-Q220 PolarHBondContact O-N 3.36Å; Q220-L223 PolarHBondContact O-N 3.06Å; Q220-L224 HydrophobicContact CG-CD1 4.5Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 2.93Å; Q220-L224 PolarHBondContact O-N 3.47Å
221	E	85.4	Confident	81.1	Confident	97 Å²	97	62.2 Å²	62.2	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-68.8	-34.7	175.2	-171.3	57.7	-146.5	0	0	112.3	G217 Q218 H219 L224 R225 R228	G217-E221 PolarHBondContact O-N 3.23Å; G217-E221 VanDerWaalsContact O-N 3.11Å; Q218-E221 PolarHBondContact O-N 3.11Å; H219-E221 VanDerWaalsContact C-N 3.3Å; H219-E221 PolarHBondContact O-N 2.74Å; E221-L224 PolarHBondContact O-N 2.91Å; E221-R225 WeakPolarHBondContact O-CB 3.01Å; E221-R225 PolarHBondContact O-N 3.29Å; E221-R228 IonicContact OE1-CZ 3.2Å; E221-R228 IonicContact OE1-NH1 3.58Å; E221-R228 PolarHBondContact OE1-NH1 2.94Å; E221-R228 IonicContact OE1-NH2 3.17Å
222	K	87.7	Confident	82.6	Confident	74 Å²	74	63.2 Å²	63.2	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-47.6	171.6	-70.2	175.6	-170.9	166.4	0	111.4	Q218 H219 L224 R225 V226	Q218-K222 WeakPolarHBondContact O-CG 3.42Å; Q218-K222 PolarHBondContact O-N 3.16Å; H219-K222 PolarHBondContact ND1-NZ 3.39Å; H219-K222 WeakPolarHBondContact O-CB 3.43Å; H219-K222 PolarHBondContact O-N 3.45Å; K222-L224 PolarHBondContact O-N 3.02Å; K222-R225 VanDerWaalsContact O-CB 3.32Å; K222-R225 WeakPolarHBondContact O-CB 3.32Å; K222-R225 PolarHBondContact O-N 2.95Å; K222-R225 VanDerWaalsContact O-N 3.1Å; K222-V226 PolarHBondContact O-N 3.07Å
223	L	91.4	Very high	84.4	Confident	3 Å²	3	56 Å²	56	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-48.2	176.4	179.9	61.6	0	0	0	111.1	R201 E204 R205 T208 H219 Q220 R225 V226 Y227 L248	R201-L223 HydrophobicContact CB-CD1 4.48Å; R201-L223 WeakPolarHBondContact O-CD1 3.31Å; E204-L223 HydrophobicContact CB-CB 4.49Å; E204-L223 HydrophobicContact CB-CD1 4.08Å; R205-L223 HydrophobicContact CB-CD2 4.48Å; T208-L223 HydrophobicContact CG2-CB 4.41Å; T208-L223 HydrophobicContact CG2-CD2 4.32Å; H219-L223 PolarHBondContact O-N 3.22Å; Q220-L223 PolarHBondContact O-N 3.06Å; L223-R225 PolarHBondContact O-N 3.07Å; L223-V226 PolarHBondContact O-N 3.31Å; L223-V226 VanDerWaalsContact O-N 3.08Å; L223-Y227 HydrophobicContact CD1-CD2 4.15Å; L223-Y227 HydrophobicContact CD1-CE2 3.83Å; L223-Y227 HydrophobicContact CG-CD2 4.14Å; L223-Y227 HydrophobicContact CG-CE2 3.99Å; L223-Y227 WeakPolarHBondContact O-CD2 3.39Å; L223-Y227 PolarHBondContact O-N 3.47Å; L223-Y227 VanDerWaalsContact O-N 3.11Å; L223-L248 HydrophobicContact CD2-CD1 4.29Å; L223-L248 HydrophobicContact CD2-CD2 3.88Å; L223-L248 HydrophobicContact CG-CD2 4.06Å
224	L	91.1	Very high	86.3	Confident	5 Å²	5	50 Å²	50	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-35.9	175.9	-71.4	172	0	0	0	112.1	Q220 E221 K222 Y227 R228 Y245 L248 L249	Q220-L224 HydrophobicContact CG-CD1 4.5Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 2.93Å; Q220-L224 PolarHBondContact O-N 3.47Å; E221-L224 PolarHBondContact O-N 2.91Å; K222-L224 PolarHBondContact O-N 3.02Å; L224-Y227 PolarHBondContact O-N 3.49Å; L224-R228 VanDerWaalsContact O-CG 3.31Å; L224-R228 WeakPolarHBondContact O-CG 3.44Å; L224-R228 PolarHBondContact O-N 3.32Å; L224-Y245 HydrophobicContact CD2-CD2 4.28Å; L224-Y245 HydrophobicContact CD2-CE2 3.69Å; L224-L248 HydrophobicContact CD2-CD2 3.81Å; L224-L248 HydrophobicContact CD2-CG 4.28Å; L224-L249 HydrophobicContact CD2-CD2 4.11Å
225	R	92.2	Very high	88	Confident	169 Å²	169	47 Å²	47	64%	0.638	23%	0.233	S	C	*	.	H	α-helix	trans	-65.3	-38.5	175.3	-174.4	-178.7	179.8	-172	-1.9	112.3	E221 K222 L223 R229	E221-R225 WeakPolarHBondContact O-CB 3.01Å; E221-R225 PolarHBondContact O-N 3.29Å; K222-R225 VanDerWaalsContact O-CB 3.32Å; K222-R225 WeakPolarHBondContact O-CB 3.32Å; K222-R225 PolarHBondContact O-N 2.95Å; K222-R225 VanDerWaalsContact O-N 3.1Å; L223-R225 PolarHBondContact O-N 3.07Å; R225-R229 WeakPolarHBondContact O-CG 3.49Å; R225-R229 PolarHBondContact O-N 3.07Å; R225-R229 VanDerWaalsContact O-N 3.11Å
226	V	94.1	Very high	89.4	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-49	174.7	179.2	0	0	0	0	110.2	W197 Y200 R201 E204 K222 L223 R228 R229 Q230	W197-V226 HydrophobicContact CE3-CG1 4.06Å; W197-V226 HydrophobicContact CZ3-CG1 4.16Å; Y200-V226 HydrophobicContact CD1-CG1 3.92Å; Y200-V226 HydrophobicContact CD1-CG2 4.19Å; Y200-V226 HydrophobicContact CE1-CG1 4.48Å; Y200-V226 HydrophobicContact CE1-CG2 4.02Å; Y200-V226 HydrophobicContact CE2-CG2 4.46Å; Y200-V226 HydrophobicContact CG-CG1 4.26Å; R201-V226 HydrophobicContact CG-CG1 3.91Å; E204-V226 HydrophobicContact CG-CG2 4.39Å; K222-V226 PolarHBondContact O-N 3.07Å; L223-V226 PolarHBondContact O-N 3.31Å; L223-V226 VanDerWaalsContact O-N 3.08Å; V226-R228 PolarHBondContact O-N 2.82Å; V226-R229 WeakPolarHBondContact O-CB 3.28Å; V226-R229 PolarHBondContact O-N 3.09Å; V226-R229 VanDerWaalsContact O-N 3.16Å; V226-Q230 PolarHBondContact O-N 3.36Å
227	Y	94.7	Very high	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-50.8	175.2	-85.5	-80.6	0	0	0	112.2	R201 R205 L223 L224 R229 Q230 L231 V241 E244 Y245 L248	R201-Y227 VanDerWaalsContact CD-CZ 3.44Å; R201-Y227 HydrophobicContact CG-CE2 4.48Å; R205-Y227 PolarHBondContact NH2-OH 2.93Å; L223-Y227 HydrophobicContact CD1-CD2 4.15Å; L223-Y227 HydrophobicContact CD1-CE2 3.83Å; L223-Y227 HydrophobicContact CG-CD2 4.14Å; L223-Y227 HydrophobicContact CG-CE2 3.99Å; L223-Y227 WeakPolarHBondContact O-CD2 3.39Å; L223-Y227 PolarHBondContact O-N 3.47Å; L223-Y227 VanDerWaalsContact O-N 3.11Å; L224-Y227 PolarHBondContact O-N 3.49Å; Y227-R229 PolarHBondContact O-N 2.8Å; Y227-Q230 PolarHBondContact O-N 2.63Å; Y227-Q230 VanDerWaalsContact O-N 3.15Å; Y227-L231 WeakPolarHBondContact O-CG 3.16Å; Y227-L231 PolarHBondContact O-N 3.16Å; Y227-V241 HydrophobicContact CD1-CG1 3.93Å; Y227-V241 HydrophobicContact CE1-CG1 4.26Å; Y227-E244 HydrophobicContact CE1-CB 3.78Å; Y227-E244 WeakPolarHBondContact CE1-OE2 3.3Å; Y227-E244 PolarHBondContact OH-OE2 3.2Å; Y227-Y245 VanDerWaalsContact CB-CD2 3.47Å; Y227-Y245 HydrophobicContact CD1-CD2 4.18Å; Y227-Y245 HydrophobicContact CD1-CG 4.5Å; Y227-Y245 AromaticContact CG-CD2 3.84Å; Y227-Y245 HydrophobicContact CG-CD2 3.84Å; Y227-L248 HydrophobicContact CD2-CD2 3.76Å; Y227-L248 HydrophobicContact CE2-CD2 3.56Å
228	R	94.4	Very high	91.5	Very high	79 Å²	79	41.8 Å²	41.8	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-59.6	-33.7	-179.9	-70.1	-179	-166.8	120.5	-4.2	112.8	E221 L224 V226 Y245	E221-R228 IonicContact OE1-CZ 3.2Å; E221-R228 IonicContact OE1-NH1 3.58Å; E221-R228 PolarHBondContact OE1-NH1 2.94Å; E221-R228 IonicContact OE1-NH2 3.17Å; L224-R228 VanDerWaalsContact O-CG 3.31Å; L224-R228 WeakPolarHBondContact O-CG 3.44Å; L224-R228 PolarHBondContact O-N 3.32Å; V226-R228 PolarHBondContact O-N 2.82Å; R228-Y245 HydrophobicContact CG-CE2 4.29Å; R228-Y245 PolarHBondContact NE-OH 3.39Å
229	R	95.4	Very high	92.4	Very high	72 Å²	72	40.9 Å²	40.9	27%	0.272	19%	0.192	S	C	.	.	H	α-helix	trans	-70.9	-46.8	174.6	-73.3	171.3	64.5	-171.8	4.6	111.5	E180 W197 R225 V226 Y227 L231 S232	E180-R229 VanDerWaalsContact CD-NH1 3.26Å; E180-R229 IonicContact OE1-CZ 2.74Å; E180-R229 IonicContact OE1-NH1 2.69Å; E180-R229 PolarHBondContact OE1-NH1 2.97Å; E180-R229 IonicContact OE1-NH2 3.57Å; E180-R229 IonicContact OE2-CZ 3.55Å; E180-R229 VanDerWaalsContact OE2-CZ 3.29Å; E180-R229 IonicContact OE2-NH1 3.51Å; E180-R229 PolarHBondContact OE2-NH1 3.23Å; E180-R229 IonicContact OE2-NH2 2.89Å; E180-R229 PolarHBondContact OE2-NH2 2.82Å; W197-R229 HydrophobicContact CH2-CB 3.95Å; W197-R229 HydrophobicContact CZ3-CB 4.11Å; R225-R229 WeakPolarHBondContact O-CG 3.49Å; R225-R229 PolarHBondContact O-N 3.07Å; R225-R229 VanDerWaalsContact O-N 3.11Å; V226-R229 WeakPolarHBondContact O-CB 3.28Å; V226-R229 PolarHBondContact O-N 3.09Å; V226-R229 VanDerWaalsContact O-N 3.16Å; Y227-R229 PolarHBondContact O-N 2.8Å; R229-L231 VanDerWaalsContact C-N 3.27Å; R229-L231 PolarHBondContact O-N 3.34Å; R229-S232 WeakPolarHBondContact O-CB 3.29Å; R229-S232 PolarHBondContact O-N 2.91Å; R229-S232 PolarHBondContact O-OG 3.27Å
230	Q	96	Very high	93.1	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-36.5	178.5	-170.9	179.2	3.4	0	0	112.1	D194 W197 R201 V226 Y227 S232 V233 V241	D194-Q230 PolarHBondContact OD1-NE2 3.45Å; W197-Q230 HydrophobicContact CB-CG 3.98Å; W197-Q230 HydrophobicContact CD2-CB 3.94Å; W197-Q230 HydrophobicContact CD2-CG 3.87Å; W197-Q230 HydrophobicContact CE3-CB 3.85Å; W197-Q230 HydrophobicContact CE3-CG 4.27Å; W197-Q230 HydrophobicContact CG-CB 4.31Å; W197-Q230 HydrophobicContact CG-CG 3.72Å; W197-Q230 HydrophobicContact CZ3-CB 4.28Å; R201-Q230 VanDerWaalsContact NH1-CD 3.34Å; V226-Q230 PolarHBondContact O-N 3.36Å; Y227-Q230 PolarHBondContact O-N 2.63Å; Y227-Q230 VanDerWaalsContact O-N 3.15Å; Q230-S232 PolarHBondContact O-N 2.96Å; Q230-V233 WeakPolarHBondContact O-CB 3.47Å; Q230-V233 PolarHBondContact O-N 2.86Å; Q230-V241 HydrophobicContact CB-CG1 4.4Å; Q230-V241 HydrophobicContact CG-CG1 4.18Å; Q230-V241 VanDerWaalsContact NE2-CG2 3.34Å
231	L	95.9	Very high	93.7	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.9	174.7	-69.9	177	0	0	0	113.6	Y227 R229 V233 L238 V241 Y242 Y245 I261 Y262 S265	Y227-L231 WeakPolarHBondContact O-CG 3.16Å; Y227-L231 PolarHBondContact O-N 3.16Å; R229-L231 VanDerWaalsContact C-N 3.27Å; R229-L231 PolarHBondContact O-N 3.34Å; L231-V233 VanDerWaalsContact C-N 3.33Å; L231-L238 HydrophobicContact CD2-CD1 4.06Å; L231-V241 HydrophobicContact CD2-CG1 4.14Å; L231-Y242 HydrophobicContact CD1-CD2 4.18Å; L231-Y242 HydrophobicContact CD2-CD2 3.9Å; L231-Y242 HydrophobicContact CD2-CG 4.41Å; L231-Y245 HydrophobicContact CD1-CD1 3.86Å; L231-Y245 HydrophobicContact CD1-CE1 4.24Å; L231-Y245 HydrophobicContact CD1-CG 4.14Å; L231-I261 WeakPolarHBondContact O-CG2 3.45Å; L231-Y262 HydrophobicContact CD2-CD2 4.12Å; L231-S265 VanDerWaalsContact O-CB 3.26Å; L231-S265 WeakPolarHBondContact O-CB 3.44Å; L231-S265 PolarHBondContact O-OG 2.89Å
232	S	94.5	Very high	94.2	Very high	70 Å²	70	37.6 Å²	37.6	49%	0.49	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.3	174.6	76	0	0	0	0	114.4	R229 Q230 I261 S265	R229-S232 WeakPolarHBondContact O-CB 3.29Å; R229-S232 PolarHBondContact O-N 2.91Å; R229-S232 PolarHBondContact O-OG 3.27Å; Q230-S232 PolarHBondContact O-N 2.96Å; S232-I261 VanDerWaalsContact CA-CG2 3.45Å; S232-S265 VanDerWaalsContact C-OG 3.28Å; S232-S265 WeakPolarHBondContact CA-OG 3.22Å; S232-S265 PolarHBondContact O-OG 2.93Å
233	V	94.8	Very high	94.5	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.048	19%	0.188	C	C	.	.	S	Bend	trans	-104	125.2	-179.4	-177.9	0	0	0	0	109.5	G187 L188 W197 Q230 L231 A235	G187-V233 WeakPolarHBondContact O-CG1 3.4Å; L188-V233 HydrophobicContact CD2-CG1 4.23Å; L188-V233 HydrophobicContact CD2-CG2 4.24Å; W197-V233 HydrophobicContact CZ2-CG2 3.94Å; Q230-V233 WeakPolarHBondContact O-CB 3.47Å; Q230-V233 PolarHBondContact O-N 2.86Å; L231-V233 VanDerWaalsContact C-N 3.33Å; V233-A235 HydrophobicContact CG1-CB 4.01Å; V233-A235 PolarHBondContact O-N 3.24Å; V233-A235 VanDerWaalsContact O-N 3.13Å
234	A	96	Very high	94.6	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.041	20%	0.203	C	C	.	.			trans	-81.6	84.2	172	0	0	0	0	0	110	S265 E268 L269 L272	A234-S265 WeakPolarHBondContact CB-O 3.41Å; A234-E268 HydrophobicContact CB-CB 3.79Å; A234-E268 HydrophobicContact CB-CG 3.63Å; A234-L269 HydrophobicContact CB-CB 4.15Å; A234-L272 HydrophobicContact CB-CD1 4.09Å
235	A	94.9	Very high	94.7	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	20%	0.202	C	C	.	.			trans	-130.8	159.4	176.6	0	0	0	0	0	110.4	V190 A193 V233 L238 L269	V190-A235 CarbonylContact O-C 3.58Å; V190-A235 VanDerWaalsContact O-CA 3.29Å; V190-A235 WeakPolarHBondContact O-CA 3.35Å; V190-A235 WeakPolarHBondContact O-CB 3.49Å; A193-A235 HydrophobicContact CB-CB 4.46Å; V233-A235 HydrophobicContact CG1-CB 4.01Å; V233-A235 PolarHBondContact O-N 3.24Å; V233-A235 VanDerWaalsContact O-N 3.13Å; A235-L238 WeakPolarHBondContact O-CB 3.38Å; A235-L238 PolarHBondContact O-N 3.45Å; A235-L269 VanDerWaalsContact O-CD2 3.24Å; A235-L269 WeakPolarHBondContact O-CD2 3.38Å
236	E	94.2	Very high	94.7	Very high	67 Å²	67	37 Å²	37	31%	0.313	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	154.8	173	-68.8	-58.4	155.4	0	0	111.1	V190 D194 L238 R273	V190-E236 PolarHBondContact O-N 3.3Å; D194-E236 WeakPolarHBondContact CB-O 3.47Å; E236-L238 VanDerWaalsContact C-N 3.25Å; E236-L238 PolarHBondContact O-N 3.29Å; E236-R273 VanDerWaalsContact OE1-CG 3.29Å; E236-R273 WeakPolarHBondContact OE1-CG 3.3Å; E236-R273 IonicContact OE1-CZ 2.64Å; E236-R273 IonicContact OE1-NE 2.89Å; E236-R273 PolarHBondContact OE1-NE 3.34Å; E236-R273 IonicContact OE1-NH2 3.67Å; E236-R273 IonicContact OE2-CZ 3.79Å; E236-R273 IonicContact OE2-NE 2.92Å; E236-R273 IonicContact OE2-NH2 3.74Å; E236-R273 PolarHBondContact OE2-NH2 2.62Å
237	G	93.1	Very high	94.6	Very high	20 Å²	20	40.5 Å²	40.5	21%	0.206	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-6	-174.1	0	0	0	0	0	115.6	E239 N240 V241	G237-E239 PolarHBondContact O-N 2.82Å; G237-E239 VanDerWaalsContact O-N 3.07Å; G237-N240 WeakPolarHBondContact O-CB 3.48Å; G237-N240 PolarHBondContact O-N 3.29Å; G237-V241 WeakPolarHBondContact O-CG2 3.22Å; G237-V241 PolarHBondContact O-N 3.11Å; G237-V241 VanDerWaalsContact O-N 3.1Å
238	L	95.6	Very high	94.4	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-52.4	-35.5	-177.7	178.3	64.9	0	0	0	114.5	L231 A235 E236 Y242 Y262 L266 L269	L231-L238 HydrophobicContact CD2-CD1 4.06Å; A235-L238 WeakPolarHBondContact O-CB 3.38Å; A235-L238 PolarHBondContact O-N 3.45Å; E236-L238 VanDerWaalsContact C-N 3.25Å; E236-L238 PolarHBondContact O-N 3.29Å; L238-Y242 PolarHBondContact O-N 3.46Å; L238-Y242 VanDerWaalsContact O-N 3.08Å; L238-Y262 HydrophobicContact CD1-CD2 4.23Å; L238-Y262 HydrophobicContact CD2-CD2 4.3Å; L238-Y262 HydrophobicContact CD2-CE2 4.45Å; L238-Y262 HydrophobicContact CG-CD2 3.98Å; L238-Y262 HydrophobicContact CG-CE2 4.02Å; L238-L266 HydrophobicContact CD2-CB 4.24Å; L238-L269 HydrophobicContact CB-CD2 4.36Å
239	E	95.8	Very high	94.1	Very high	88 Å²	88	39.3 Å²	39.3	41%	0.411	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-41.4	177.4	-63.4	179.3	145.5	0	0	111.8	G237 Y242 N243 L266	G237-E239 PolarHBondContact O-N 2.82Å; G237-E239 VanDerWaalsContact O-N 3.07Å; E239-Y242 PolarHBondContact O-N 3.29Å; E239-N243 PolarHBondContact O-N 2.76Å; E239-N243 PolarHBondContact O-ND2 3.31Å; E239-L266 HydrophobicContact CG-CD1 3.89Å
240	N	95.2	Very high	93.4	Very high	79 Å²	79	39.3 Å²	39.3	42%	0.422	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-44.7	175.5	-65.3	-11.8	0	0	0	110.6	G237 Y242 N243 E244	G237-N240 WeakPolarHBondContact O-CB 3.48Å; G237-N240 PolarHBondContact O-N 3.29Å; N240-Y242 VanDerWaalsContact C-N 3.29Å; N240-Y242 PolarHBondContact O-N 3.42Å; N240-N243 WeakPolarHBondContact O-CB 3.49Å; N240-N243 PolarHBondContact O-N 3.24Å; N240-N243 VanDerWaalsContact O-N 3.12Å; N240-E244 PolarHBondContact O-N 3.33Å
241	V	95.1	Very high	92.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-39.5	176.8	178.3	0	0	0	0	111.7	Y227 Q230 L231 G237 Y245	Y227-V241 HydrophobicContact CD1-CG1 3.93Å; Y227-V241 HydrophobicContact CE1-CG1 4.26Å; Q230-V241 HydrophobicContact CB-CG1 4.4Å; Q230-V241 HydrophobicContact CG-CG1 4.18Å; Q230-V241 VanDerWaalsContact NE2-CG2 3.34Å; L231-V241 HydrophobicContact CD2-CG1 4.14Å; G237-V241 WeakPolarHBondContact O-CG2 3.22Å; G237-V241 PolarHBondContact O-N 3.11Å; G237-V241 VanDerWaalsContact O-N 3.1Å; V241-Y245 WeakPolarHBondContact O-CB 3.35Å; V241-Y245 PolarHBondContact O-N 2.7Å
242	Y	95.6	Very high	91.8	Very high	25 Å²	25	49.3 Å²	49.3	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-40.3	176.7	-173.7	-112.4	0	0	0	112.2	L231 L238 E239 N240 Y245 I246 V254 Y262	L231-Y242 HydrophobicContact CD1-CD2 4.18Å; L231-Y242 HydrophobicContact CD2-CD2 3.9Å; L231-Y242 HydrophobicContact CD2-CG 4.41Å; L238-Y242 PolarHBondContact O-N 3.46Å; L238-Y242 VanDerWaalsContact O-N 3.08Å; E239-Y242 PolarHBondContact O-N 3.29Å; N240-Y242 VanDerWaalsContact C-N 3.29Å; N240-Y242 PolarHBondContact O-N 3.42Å; Y242-Y245 WeakPolarHBondContact O-CB 3.48Å; Y242-Y245 PolarHBondContact O-N 3.08Å; Y242-I246 HydrophobicContact CD1-CD1 3.74Å; Y242-I246 HydrophobicContact CE1-CD1 3.4Å; Y242-I246 VanDerWaalsContact CE1-CD1 3.4Å; Y242-I246 HydrophobicContact CE1-CG1 4.35Å; Y242-I246 HydrophobicContact CE2-CD1 4.49Å; Y242-I246 HydrophobicContact CG-CD1 4.43Å; Y242-I246 WeakPolarHBondContact O-CG1 3.42Å; Y242-I246 PolarHBondContact O-N 2.98Å; Y242-V254 HydrophobicContact CE2-CG1 4.33Å; Y242-Y262 VanDerWaalsContact CB-CE2 3.48Å; Y242-Y262 AromaticContact CD1-CD1 3.87Å; Y242-Y262 HydrophobicContact CD1-CD1 3.87Å; Y242-Y262 HydrophobicContact CD1-CD2 4.37Å; Y242-Y262 AromaticContact CD1-CE1 3.57Å; Y242-Y262 HydrophobicContact CD1-CE1 3.57Å; Y242-Y262 HydrophobicContact CD1-CE2 4.11Å; Y242-Y262 HydrophobicContact CD1-CG 4.25Å; Y242-Y262 AromaticContact CD1-CZ 3.69Å; Y242-Y262 AromaticContact CD2-CD1 3.83Å; Y242-Y262 HydrophobicContact CD2-CD1 3.83Å; Y242-Y262 AromaticContact CD2-CD2 3.84Å; Y242-Y262 HydrophobicContact CD2-CD2 3.84Å; Y242-Y262 HydrophobicContact CD2-CE1 4.34Å; Y242-Y262 HydrophobicContact CD2-CE2 4.35Å; Y242-Y262 AromaticContact CD2-CG 3.54Å; Y242-Y262 HydrophobicContact CD2-CG 3.54Å; Y242-Y262 AromaticContact CE1-CD1 3.85Å; Y242-Y262 HydrophobicContact CE1-CD1 3.85Å; Y242-Y262 AromaticContact CE1-CE1 3.74Å; Y242-Y262 HydrophobicContact CE1-CE1 3.74Å; Y242-Y262 AromaticContact CE2-CD1 3.84Å; Y242-Y262 HydrophobicContact CE2-CD1 3.84Å; Y242-Y262 AromaticContact CE2-CG 3.89Å; Y242-Y262 HydrophobicContact CE2-CG 3.89Å; Y242-Y262 AromaticContact CG-CD1 3.84Å; Y242-Y262 HydrophobicContact CG-CD1 3.84Å; Y242-Y262 AromaticContact CG-CD2 3.7Å; Y242-Y262 HydrophobicContact CG-CD2 3.7Å; Y242-Y262 AromaticContact CG-CE1 3.88Å; Y242-Y262 HydrophobicContact CG-CE1 3.88Å; Y242-Y262 AromaticContact CG-CE2 3.74Å; Y242-Y262 HydrophobicContact CG-CE2 3.74Å; Y242-Y262 AromaticContact CG-CG 3.74Å; Y242-Y262 HydrophobicContact CG-CG 3.74Å; Y242-Y262 AromaticContact CG-CZ 3.83Å; Y242-Y262 AromaticContact CZ-CD1 3.85Å
243	N	94.4	Very high	91.3	Very high	97 Å²	97	53.5 Å²	53.5	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.3	-67.9	-32.7	0	0	0	111.7	E239 N240 Y245 I246 A247	E239-N243 PolarHBondContact O-N 2.76Å; E239-N243 PolarHBondContact O-ND2 3.31Å; N240-N243 WeakPolarHBondContact O-CB 3.49Å; N240-N243 PolarHBondContact O-N 3.24Å; N240-N243 VanDerWaalsContact O-N 3.12Å; N243-Y245 VanDerWaalsContact C-N 3.32Å; N243-Y245 PolarHBondContact O-N 2.87Å; N243-I246 PolarHBondContact O-N 3.12Å; N243-A247 PolarHBondContact O-N 3.25Å
244	E	93.6	Very high	90.9	Very high	69 Å²	69	54.7 Å²	54.7	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-43.5	172.5	-75.4	178.1	-147.9	0	0	112	R201 Y227 N240 I246 A247 L248	R201-E244 IonicContact CZ-OE2 2.9Å; R201-E244 IonicContact NE-OE2 3.23Å; R201-E244 PolarHBondContact NE-OE2 3.48Å; R201-E244 IonicContact NH2-OE1 2.88Å; R201-E244 PolarHBondContact NH2-OE1 3.41Å; R201-E244 IonicContact NH2-OE2 3.55Å; R201-E244 PolarHBondContact NH2-OE2 3.23Å; R201-E244 VanDerWaalsContact NH2-OE2 3.17Å; Y227-E244 HydrophobicContact CE1-CB 3.78Å; Y227-E244 WeakPolarHBondContact CE1-OE2 3.3Å; Y227-E244 PolarHBondContact OH-OE2 3.2Å; N240-E244 PolarHBondContact O-N 3.33Å; E244-I246 PolarHBondContact O-N 3.16Å; E244-A247 PolarHBondContact O-N 3.13Å; E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 2.85Å
245	Y	93.8	Very high	90.5	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-43.9	179.1	179.8	-113	0	0	0	111.8	L224 Y227 R228 L231 V241 Y242 N243 A247 L248 L249 V254	L224-Y245 HydrophobicContact CD2-CD2 4.28Å; L224-Y245 HydrophobicContact CD2-CE2 3.69Å; Y227-Y245 VanDerWaalsContact CB-CD2 3.47Å; Y227-Y245 HydrophobicContact CD1-CD2 4.18Å; Y227-Y245 HydrophobicContact CD1-CG 4.5Å; Y227-Y245 AromaticContact CG-CD2 3.84Å; Y227-Y245 HydrophobicContact CG-CD2 3.84Å; R228-Y245 HydrophobicContact CG-CE2 4.29Å; R228-Y245 PolarHBondContact NE-OH 3.39Å; L231-Y245 HydrophobicContact CD1-CD1 3.86Å; L231-Y245 HydrophobicContact CD1-CE1 4.24Å; L231-Y245 HydrophobicContact CD1-CG 4.14Å; V241-Y245 WeakPolarHBondContact O-CB 3.35Å; V241-Y245 PolarHBondContact O-N 2.7Å; Y242-Y245 WeakPolarHBondContact O-CB 3.48Å; Y242-Y245 PolarHBondContact O-N 3.08Å; N243-Y245 VanDerWaalsContact C-N 3.32Å; N243-Y245 PolarHBondContact O-N 2.87Å; Y245-A247 VanDerWaalsContact C-N 3.35Å; Y245-L248 PolarHBondContact O-N 3.1Å; Y245-L249 HydrophobicContact CD1-CD1 4.24Å; Y245-L249 HydrophobicContact CE1-CD1 3.78Å; Y245-L249 HydrophobicContact CE1-CG 4.44Å; Y245-L249 WeakPolarHBondContact O-CG 3.49Å; Y245-L249 PolarHBondContact O-N 2.87Å; Y245-L249 VanDerWaalsContact O-N 3.15Å; Y245-V254 HydrophobicContact CE1-CG1 4.26Å
246	I	92.8	Very high	90.3	Very high	72 Å²	72	62.3 Å²	62.3	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-45.6	174.5	-69.8	166	0	0	0	110.7	Y242 N243 E244 L248 L249 V254	Y242-I246 HydrophobicContact CD1-CD1 3.74Å; Y242-I246 HydrophobicContact CE1-CD1 3.4Å; Y242-I246 VanDerWaalsContact CE1-CD1 3.4Å; Y242-I246 HydrophobicContact CE1-CG1 4.35Å; Y242-I246 HydrophobicContact CE2-CD1 4.49Å; Y242-I246 HydrophobicContact CG-CD1 4.43Å; Y242-I246 WeakPolarHBondContact O-CG1 3.42Å; Y242-I246 PolarHBondContact O-N 2.98Å; N243-I246 PolarHBondContact O-N 3.12Å; E244-I246 PolarHBondContact O-N 3.16Å; I246-L248 VanDerWaalsContact C-N 3.31Å; I246-L248 PolarHBondContact O-N 2.64Å; I246-L249 PolarHBondContact O-N 2.9Å; I246-V254 HydrophobicContact CG1-CG2 3.8Å
247	A	91.5	Very high	90.2	Very high	78 Å²	78	61.9 Å²	61.9	65%	0.645	38%	0.381	S	S	*	.	H	α-helix	trans	-60.5	-42	178.3	0	0	0	0	0	111.6	N243 E244 Y245 L249 G250	N243-A247 PolarHBondContact O-N 3.25Å; E244-A247 PolarHBondContact O-N 3.13Å; Y245-A247 VanDerWaalsContact C-N 3.35Å; A247-L249 VanDerWaalsContact C-N 3.27Å; A247-L249 PolarHBondContact O-N 3.44Å; A247-G250 PolarHBondContact O-N 3.48Å
248	L	89	Confident	90.1	Very high	41 Å²	41	61.2 Å²	61.2	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-65	-27.3	178.2	-172.6	66	0	0	0	113.2	L223 L224 Y227 E244 Y245 I246 G250	L223-L248 HydrophobicContact CD2-CD1 4.29Å; L223-L248 HydrophobicContact CD2-CD2 3.88Å; L223-L248 HydrophobicContact CG-CD2 4.06Å; L224-L248 HydrophobicContact CD2-CD2 3.81Å; L224-L248 HydrophobicContact CD2-CG 4.28Å; Y227-L248 HydrophobicContact CD2-CD2 3.76Å; Y227-L248 HydrophobicContact CE2-CD2 3.56Å; E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 2.85Å; Y245-L248 PolarHBondContact O-N 3.1Å; I246-L248 VanDerWaalsContact C-N 3.31Å; I246-L248 PolarHBondContact O-N 2.64Å; L248-G250 PolarHBondContact O-N 3.47Å
249	L	88.5	Confident	90	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-71.5	-17.2	177.3	-73.6	176.6	0	0	0	113.6	L224 Y245 I246 A247 G251 R252 V254	L224-L249 HydrophobicContact CD2-CD2 4.11Å; Y245-L249 HydrophobicContact CD1-CD1 4.24Å; Y245-L249 HydrophobicContact CE1-CD1 3.78Å; Y245-L249 HydrophobicContact CE1-CG 4.44Å; Y245-L249 WeakPolarHBondContact O-CG 3.49Å; Y245-L249 PolarHBondContact O-N 2.87Å; Y245-L249 VanDerWaalsContact O-N 3.15Å; I246-L249 PolarHBondContact O-N 2.9Å; A247-L249 VanDerWaalsContact C-N 3.27Å; A247-L249 PolarHBondContact O-N 3.44Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 2.93Å; L249-R252 HydrophobicContact CB-CB 4.29Å; L249-R252 PolarHBondContact O-N 3.07Å; L249-R252 PolarHBondContact O-NE 3.08Å; L249-R252 VanDerWaalsContact O-NE 3.15Å; L249-V254 HydrophobicContact CD1-CG2 3.9Å
250	G	80.7	Confident	89.9	Confident	71 Å²	71	67.5 Å²	67.5	73%	0.732	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	32.3	170.7	0	0	0	0	0	114.6	A247 L248	A247-G250 PolarHBondContact O-N 3.48Å; L248-G250 PolarHBondContact O-N 3.47Å
251	G	75.3	Confident	89.9	Confident	78 Å²	78	66.6 Å²	66.6	80%	0.804	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	4.4	-179	0	0	0	0	0	115.5	L249	L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 2.93Å
252	R	83.1	Confident	90	Very high	140 Å²	140	68 Å²	68	53%	0.528	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-73.1	142.4	164.6	-68.3	179.5	-76.5	-163	-0.9	110.3	L249	L249-R252 HydrophobicContact CB-CB 4.29Å; L249-R252 PolarHBondContact O-N 3.07Å; L249-R252 PolarHBondContact O-NE 3.08Å; L249-R252 VanDerWaalsContact O-NE 3.15Å
253	D	83.7	Confident	90	Very high	158 Å²	158	70.5 Å²	70.5	85%	0.845	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-61.6	136.5	174	-71.2	-37.2	0	0	0	110.8	D255	D253-D255 PolarHBondContact O-N 3.15Å
254	V	87.3	Confident	90.1	Very high	34 Å²	34	68.3 Å²	68.3	21%	0.206	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-66.1	126	170.6	-179	0	0	0	0	108.1	Y242 Y245 I246 L249 K259	Y242-V254 HydrophobicContact CE2-CG1 4.33Å; Y245-V254 HydrophobicContact CE1-CG1 4.26Å; I246-V254 HydrophobicContact CG1-CG2 3.8Å; L249-V254 HydrophobicContact CD1-CG2 3.9Å; V254-K259 HydrophobicContact CG1-CB 4.11Å
255	D	88.5	Confident	90.2	Very high	65 Å²	65	65.5 Å²	65.5	35%	0.348	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-62.4	145.3	178	72.3	86.3	0	0	0	111	D253 A257 S258 K259	D253-D255 PolarHBondContact O-N 3.15Å; D255-A257 PolarHBondContact O-N 3.3Å; D255-A257 VanDerWaalsContact O-N 3.11Å; D255-A257 WeakPolarHBondContact OD1-CA 3.02Å; D255-A257 WeakPolarHBondContact OD1-CB 3.05Å; D255-A257 PolarHBondContact OD1-N 3.37Å; D255-A257 VanDerWaalsContact OD1-N 3.13Å; D255-S258 PolarHBondContact O-N 2.96Å; D255-S258 PolarHBondContact OD1-N 3.42Å; D255-S258 WeakPolarHBondContact OD2-CB 3.37Å; D255-S258 PolarHBondContact OD2-OG 3.36Å; D255-K259 PolarHBondContact O-N 3.03Å; D255-K259 VanDerWaalsContact O-N 3.08Å
256	S	89.5	Confident	90.4	Very high	106 Å²	106	66.9 Å²	66.9	74%	0.741	40%	0.399	S	S	*	.	H	α-helix	trans	-61.5	-25.3	-174	-50.3	0	0	0	0	112.9	F260	S256-F260 VanDerWaalsContact O-CB 3.24Å; S256-F260 WeakPolarHBondContact O-CB 3.15Å; S256-F260 PolarHBondContact O-N 3.31Å
257	A	91.4	Very high	90.6	Very high	58 Å²	58	70 Å²	70	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-73.2	-48.1	178.2	0	0	0	0	0	111	D255 K259 F260 I261	D255-A257 PolarHBondContact O-N 3.3Å; D255-A257 VanDerWaalsContact O-N 3.11Å; D255-A257 WeakPolarHBondContact OD1-CA 3.02Å; D255-A257 WeakPolarHBondContact OD1-CB 3.05Å; D255-A257 PolarHBondContact OD1-N 3.37Å; D255-A257 VanDerWaalsContact OD1-N 3.13Å; A257-K259 VanDerWaalsContact C-N 3.34Å; A257-K259 PolarHBondContact O-N 2.79Å; A257-F260 PolarHBondContact O-N 2.84Å; A257-I261 WeakPolarHBondContact O-CB 3.27Å; A257-I261 VanDerWaalsContact O-CG1 3.22Å; A257-I261 WeakPolarHBondContact O-CG1 3.43Å; A257-I261 PolarHBondContact O-N 2.66Å
258	S	92.6	Very high	90.7	Very high	6 Å²	6	68 Å²	68	4%	0.042	38%	0.384	C	S	.	.	H	α-helix	trans	-60.3	-41.9	175.3	-82.3	0	0	0	0	112.4	D255 I261 Y262	D255-S258 PolarHBondContact O-N 2.96Å; D255-S258 PolarHBondContact OD1-N 3.42Å; D255-S258 WeakPolarHBondContact OD2-CB 3.37Å; D255-S258 PolarHBondContact OD2-OG 3.36Å; S258-I261 PolarHBondContact O-N 3.17Å; S258-Y262 WeakPolarHBondContact O-CB 3.29Å; S258-Y262 PolarHBondContact O-N 2.77Å
259	K	93.1	Very high	91.1	Very high	99 Å²	99	66.1 Å²	66.1	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-45.9	174.8	-175.6	172.5	179.4	175.9	0	112	V254 D255 A257 I261 Y262 E263	V254-K259 HydrophobicContact CG1-CB 4.11Å; D255-K259 PolarHBondContact O-N 3.03Å; D255-K259 VanDerWaalsContact O-N 3.08Å; A257-K259 VanDerWaalsContact C-N 3.34Å; A257-K259 PolarHBondContact O-N 2.79Å; K259-I261 PolarHBondContact O-N 2.94Å; K259-Y262 PolarHBondContact O-N 2.89Å; K259-E263 WeakPolarHBondContact CE-OE1 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.27Å; K259-E263 PolarHBondContact O-N 3.05Å
260	F	94.4	Very high	91.5	Very high	126 Å²	126	69.2 Å²	69.2	55%	0.553	39%	0.391	S	S	*	.	H	α-helix	trans	-62.8	-41.6	177.9	176.4	-93.9	0	0	0	112.5	S256 A257 E263 S264	S256-F260 VanDerWaalsContact O-CB 3.24Å; S256-F260 WeakPolarHBondContact O-CB 3.15Å; S256-F260 PolarHBondContact O-N 3.31Å; A257-F260 PolarHBondContact O-N 2.84Å; F260-E263 PolarHBondContact O-N 3.1Å; F260-S264 WeakPolarHBondContact O-CB 3.42Å; F260-S264 PolarHBondContact O-N 3.41Å
261	I	95	Very high	92.2	Very high	60 Å²	60	70.3 Å²	70.3	31%	0.308	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-49.6	177.2	-72.5	166.9	0	0	0	109.9	L231 S232 A257 S258 K259 E263 S264 S265	L231-I261 WeakPolarHBondContact O-CG2 3.45Å; S232-I261 VanDerWaalsContact CA-CG2 3.45Å; A257-I261 WeakPolarHBondContact O-CB 3.27Å; A257-I261 VanDerWaalsContact O-CG1 3.22Å; A257-I261 WeakPolarHBondContact O-CG1 3.43Å; A257-I261 PolarHBondContact O-N 2.66Å; S258-I261 PolarHBondContact O-N 3.17Å; K259-I261 PolarHBondContact O-N 2.94Å; I261-E263 PolarHBondContact O-N 2.91Å; I261-S264 WeakPolarHBondContact O-CB 3.49Å; I261-S264 PolarHBondContact O-N 3.19Å; I261-S265 PolarHBondContact O-N 3.42Å; I261-S265 PolarHBondContact O-OG 2.78Å
262	Y	96.5	Very high	93.2	Very high	29 Å²	29	66.6 Å²	66.6	11%	0.114	34%	0.341	C	S	.	.	H	α-helix	trans	-56.1	-51.4	176	163.2	-106.4	0	0	0	112.1	L231 L238 Y242 S258 K259 S264 S265 L266	L231-Y262 HydrophobicContact CD2-CD2 4.12Å; L238-Y262 HydrophobicContact CD1-CD2 4.23Å; L238-Y262 HydrophobicContact CD2-CD2 4.3Å; L238-Y262 HydrophobicContact CD2-CE2 4.45Å; L238-Y262 HydrophobicContact CG-CD2 3.98Å; L238-Y262 HydrophobicContact CG-CE2 4.02Å; Y242-Y262 VanDerWaalsContact CB-CE2 3.48Å; Y242-Y262 AromaticContact CD1-CD1 3.87Å; Y242-Y262 HydrophobicContact CD1-CD1 3.87Å; Y242-Y262 HydrophobicContact CD1-CD2 4.37Å; Y242-Y262 AromaticContact CD1-CE1 3.57Å; Y242-Y262 HydrophobicContact CD1-CE1 3.57Å; Y242-Y262 HydrophobicContact CD1-CE2 4.11Å; Y242-Y262 HydrophobicContact CD1-CG 4.25Å; Y242-Y262 AromaticContact CD1-CZ 3.69Å; Y242-Y262 AromaticContact CD2-CD1 3.83Å; Y242-Y262 HydrophobicContact CD2-CD1 3.83Å; Y242-Y262 AromaticContact CD2-CD2 3.84Å; Y242-Y262 HydrophobicContact CD2-CD2 3.84Å; Y242-Y262 HydrophobicContact CD2-CE1 4.34Å; Y242-Y262 HydrophobicContact CD2-CE2 4.35Å; Y242-Y262 AromaticContact CD2-CG 3.54Å; Y242-Y262 HydrophobicContact CD2-CG 3.54Å; Y242-Y262 AromaticContact CE1-CD1 3.85Å; Y242-Y262 HydrophobicContact CE1-CD1 3.85Å; Y242-Y262 AromaticContact CE1-CE1 3.74Å; Y242-Y262 HydrophobicContact CE1-CE1 3.74Å; Y242-Y262 AromaticContact CE2-CD1 3.84Å; Y242-Y262 HydrophobicContact CE2-CD1 3.84Å; Y242-Y262 AromaticContact CE2-CG 3.89Å; Y242-Y262 HydrophobicContact CE2-CG 3.89Å; Y242-Y262 AromaticContact CG-CD1 3.84Å; Y242-Y262 HydrophobicContact CG-CD1 3.84Å; Y242-Y262 AromaticContact CG-CD2 3.7Å; Y242-Y262 HydrophobicContact CG-CD2 3.7Å; Y242-Y262 AromaticContact CG-CE1 3.88Å; Y242-Y262 HydrophobicContact CG-CE1 3.88Å; Y242-Y262 AromaticContact CG-CE2 3.74Å; Y242-Y262 HydrophobicContact CG-CE2 3.74Å; Y242-Y262 AromaticContact CG-CG 3.74Å; Y242-Y262 HydrophobicContact CG-CG 3.74Å; Y242-Y262 AromaticContact CG-CZ 3.83Å; Y242-Y262 AromaticContact CZ-CD1 3.85Å; S258-Y262 WeakPolarHBondContact O-CB 3.29Å; S258-Y262 PolarHBondContact O-N 2.77Å; K259-Y262 PolarHBondContact O-N 2.89Å; Y262-S264 PolarHBondContact O-N 2.96Å; Y262-S265 PolarHBondContact O-N 2.61Å; Y262-L266 HydrophobicContact CE1-CD2 4.49Å; Y262-L266 WeakPolarHBondContact O-CB 3.46Å; Y262-L266 PolarHBondContact O-N 3.16Å
263	E	96.1	Very high	93.8	Very high	78 Å²	78	63.8 Å²	63.8	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-35.2	179	-72.5	176	-174.3	0	0	112	K259 F260 I261 R267	K259-E263 WeakPolarHBondContact CE-OE1 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.27Å; K259-E263 PolarHBondContact O-N 3.05Å; F260-E263 PolarHBondContact O-N 3.1Å; I261-E263 PolarHBondContact O-N 2.91Å; E263-R267 WeakPolarHBondContact O-CG 3.42Å; E263-R267 PolarHBondContact O-N 2.92Å; E263-R267 VanDerWaalsContact O-N 3.16Å
264	S	96.1	Very high	94.4	Very high	51 Å²	51	60.2 Å²	60.2	36%	0.357	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-45.7	175.4	-167.4	0	0	0	0	112.2	F260 I261 Y262 L266 R267 E268	F260-S264 WeakPolarHBondContact O-CB 3.42Å; F260-S264 PolarHBondContact O-N 3.41Å; I261-S264 WeakPolarHBondContact O-CB 3.49Å; I261-S264 PolarHBondContact O-N 3.19Å; Y262-S264 PolarHBondContact O-N 2.96Å; S264-L266 VanDerWaalsContact C-N 3.33Å; S264-R267 PolarHBondContact O-N 2.71Å; S264-E268 PolarHBondContact O-N 3.17Å
265	S	96.3	Very high	94.9	Very high	10 Å²	10	60.7 Å²	60.7	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-36.3	177.3	-59.1	0	0	0	0	111.9	L231 S232 A234 I261 Y262 E268 L269	L231-S265 VanDerWaalsContact O-CB 3.26Å; L231-S265 WeakPolarHBondContact O-CB 3.44Å; L231-S265 PolarHBondContact O-OG 2.89Å; S232-S265 VanDerWaalsContact C-OG 3.28Å; S232-S265 WeakPolarHBondContact CA-OG 3.22Å; S232-S265 PolarHBondContact O-OG 2.93Å; A234-S265 WeakPolarHBondContact CB-O 3.41Å; I261-S265 PolarHBondContact O-N 3.42Å; I261-S265 PolarHBondContact O-OG 2.78Å; Y262-S265 PolarHBondContact O-N 2.61Å; S265-E268 WeakPolarHBondContact O-CB 3.46Å; S265-E268 PolarHBondContact O-N 2.86Å; S265-L269 WeakPolarHBondContact O-CB 3.32Å; S265-L269 PolarHBondContact O-N 3.16Å
266	L	97	Very high	95.2	Very high	31 Å²	31	58.6 Å²	58.6	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-40.8	176.2	-175	63.3	0	0	0	111.9	L238 E239 Y262 S264 E268 L269 N270	L238-L266 HydrophobicContact CD2-CB 4.24Å; E239-L266 HydrophobicContact CG-CD1 3.89Å; Y262-L266 HydrophobicContact CE1-CD2 4.49Å; Y262-L266 WeakPolarHBondContact O-CB 3.46Å; Y262-L266 PolarHBondContact O-N 3.16Å; S264-L266 VanDerWaalsContact C-N 3.33Å; L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 3.36Å; L266-L269 PolarHBondContact O-N 3.02Å; L266-N270 PolarHBondContact O-N 3.11Å; L266-N270 PolarHBondContact O-ND2 2.97Å
267	R	96.6	Very high	95.5	Very high	138 Å²	138	60 Å²	60	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-41.8	171.5	-76.9	-171.8	-64.5	-117.4	-3	111.6	E263 S264 N270 L271	E263-R267 WeakPolarHBondContact O-CG 3.42Å; E263-R267 PolarHBondContact O-N 2.92Å; E263-R267 VanDerWaalsContact O-N 3.16Å; S264-R267 PolarHBondContact O-N 2.71Å; R267-N270 PolarHBondContact O-N 3.05Å; R267-L271 WeakPolarHBondContact O-CG 3.5Å; R267-L271 PolarHBondContact O-N 3.43Å
268	E	95.1	Very high	95.6	Very high	35 Å²	35	58.6 Å²	58.6	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-46.6	177.3	-175.4	66.2	-176.2	0	0	111.5	A234 S264 S265 L266 N270 L271 L272 R300	A234-E268 HydrophobicContact CB-CB 3.79Å; A234-E268 HydrophobicContact CB-CG 3.63Å; S264-E268 PolarHBondContact O-N 3.17Å; S265-E268 WeakPolarHBondContact O-CB 3.46Å; S265-E268 PolarHBondContact O-N 2.86Å; L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 3.36Å; E268-N270 VanDerWaalsContact C-N 3.3Å; E268-N270 PolarHBondContact O-N 3.43Å; E268-L271 WeakPolarHBondContact O-CB 3.49Å; E268-L271 PolarHBondContact O-N 3.36Å; E268-L272 HydrophobicContact CG-CD1 4.04Å; E268-L272 VanDerWaalsContact O-CG 3.31Å; E268-L272 WeakPolarHBondContact O-CG 3.34Å; E268-L272 PolarHBondContact O-N 3.13Å; E268-R300 VanDerWaalsContact CD-NH2 3.3Å; E268-R300 IonicContact OE1-CZ 3.84Å; E268-R300 IonicContact OE1-NE 3.11Å; E268-R300 IonicContact OE1-NH1 3.91Å; E268-R300 PolarHBondContact OE1-NH1 2.86Å; E268-R300 IonicContact OE1-NH2 3.72Å; E268-R300 PolarHBondContact OE1-NH2 3.45Å; E268-R300 VanDerWaalsContact OE1-NH2 3.17Å; E268-R300 IonicContact OE2-CZ 3.77Å; E268-R300 IonicContact OE2-NH1 3.31Å; E268-R300 PolarHBondContact OE2-NH1 3.37Å; E268-R300 IonicContact OE2-NH2 2.76Å; E268-R300 PolarHBondContact OE2-NH2 2.82Å
269	L	96.4	Very high	95.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-56.4	-44.7	176.8	179	61.4	0	0	0	111.6	V190 A234 A235 L238 S265 L266 L271 L272 R273	V190-L269 HydrophobicContact CG1-CD1 3.63Å; A234-L269 HydrophobicContact CB-CB 4.15Å; A235-L269 VanDerWaalsContact O-CD2 3.24Å; A235-L269 WeakPolarHBondContact O-CD2 3.38Å; L238-L269 HydrophobicContact CB-CD2 4.36Å; S265-L269 WeakPolarHBondContact O-CB 3.32Å; S265-L269 PolarHBondContact O-N 3.16Å; L266-L269 PolarHBondContact O-N 3.02Å; L269-L271 PolarHBondContact O-N 2.98Å; L269-L272 PolarHBondContact O-N 3.04Å; L269-R273 HydrophobicContact CD1-CG 4.48Å; L269-R273 HydrophobicContact CG-CG 4.46Å; L269-R273 WeakPolarHBondContact O-CG 3.37Å; L269-R273 PolarHBondContact O-N 3.01Å
270	N	96.5	Very high	95.7	Very high	80 Å²	80	57.3 Å²	57.3	43%	0.428	28%	0.282	S	S	.	.	H	α-helix	trans	-63.1	-27	177.7	-74.3	-43.1	0	0	0	113.8	L266 R267 E268 R273	L266-N270 PolarHBondContact O-N 3.11Å; L266-N270 PolarHBondContact O-ND2 2.97Å; R267-N270 PolarHBondContact O-N 3.05Å; E268-N270 VanDerWaalsContact C-N 3.3Å; E268-N270 PolarHBondContact O-N 3.43Å; N270-R273 PolarHBondContact OD1-NH1 3.03Å
271	L	95.6	Very high	95.6	Very high	93 Å²	93	56.7 Å²	56.7	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-75.2	-26.6	172.4	-68.2	171.3	0	0	0	112.7	R267 E268 L269	R267-L271 WeakPolarHBondContact O-CG 3.5Å; R267-L271 PolarHBondContact O-N 3.43Å; E268-L271 WeakPolarHBondContact O-CB 3.49Å; E268-L271 PolarHBondContact O-N 3.36Å; L269-L271 PolarHBondContact O-N 2.98Å
272	L	96.1	Very high	95.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-91.1	-30.8	-174.4	-61	166.8	0	0	0	112.8	V190 A234 E268 L269 P274 F275 E276 Y293 F296 R305	V190-L272 HydrophobicContact CG2-CD1 4.06Å; A234-L272 HydrophobicContact CB-CD1 4.09Å; E268-L272 HydrophobicContact CG-CD1 4.04Å; E268-L272 VanDerWaalsContact O-CG 3.31Å; E268-L272 WeakPolarHBondContact O-CG 3.34Å; E268-L272 PolarHBondContact O-N 3.13Å; L269-L272 PolarHBondContact O-N 3.04Å; L272-P274 VanDerWaalsContact C-CD 3.4Å; L272-P274 VanDerWaalsContact C-N 3.33Å; L272-F275 WeakPolarHBondContact O-CB 3.39Å; L272-F275 PolarHBondContact O-N 3.41Å; L272-E276 PolarHBondContact O-N 2.86Å; L272-E276 VanDerWaalsContact O-N 3.16Å; L272-Y293 HydrophobicContact CD2-CE2 3.77Å; L272-F296 HydrophobicContact CD2-CE1 3.98Å; L272-R305 VanDerWaalsContact CD1-CZ 3.48Å; L272-R305 VanDerWaalsContact CD2-NH2 3.35Å
273	R	96.3	Very high	94.6	Very high	81 Å²	81	61 Å²	61	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-46	-42.9	178.8	-83	174.2	172.3	172.2	-9.7	115.1	E236 L269 N270 F275 E276 K277	E236-R273 VanDerWaalsContact OE1-CG 3.29Å; E236-R273 WeakPolarHBondContact OE1-CG 3.3Å; E236-R273 IonicContact OE1-CZ 2.64Å; E236-R273 IonicContact OE1-NE 2.89Å; E236-R273 PolarHBondContact OE1-NE 3.34Å; E236-R273 IonicContact OE1-NH2 3.67Å; E236-R273 IonicContact OE2-CZ 3.79Å; E236-R273 IonicContact OE2-NE 2.92Å; E236-R273 IonicContact OE2-NH2 3.74Å; E236-R273 PolarHBondContact OE2-NH2 2.62Å; L269-R273 HydrophobicContact CD1-CG 4.48Å; L269-R273 HydrophobicContact CG-CG 4.46Å; L269-R273 WeakPolarHBondContact O-CG 3.37Å; L269-R273 PolarHBondContact O-N 3.01Å; N270-R273 PolarHBondContact OD1-NH1 3.03Å; R273-F275 VanDerWaalsContact C-N 3.28Å; R273-F275 PolarHBondContact O-N 3.5Å; R273-E276 PolarHBondContact O-N 2.99Å; R273-K277 WeakPolarHBondContact O-CB 3.2Å; R273-K277 PolarHBondContact O-N 3.25Å
274	P	96.6	Very high	93.8	Very high	83 Å²	83	64.7 Å²	64.7	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-34.2	176.9	-24.3	35.3	0	0	0	113.7	L272 A278	L272-P274 VanDerWaalsContact C-CD 3.4Å; L272-P274 VanDerWaalsContact C-N 3.33Å; P274-A278 WeakPolarHBondContact O-CB 3.4Å; P274-A278 PolarHBondContact O-N 2.92Å
275	F	96.9	Very high	93.3	Very high	44 Å²	44	67.1 Å²	67.1	19%	0.193	34%	0.335	C	S	.	.	H	α-helix	trans	-75.1	-41.7	178	-61.9	-83.5	0	0	0	111.6	L272 R273 K277 A278 L279 Y293 F296	L272-F275 WeakPolarHBondContact O-CB 3.39Å; L272-F275 PolarHBondContact O-N 3.41Å; R273-F275 VanDerWaalsContact C-N 3.28Å; R273-F275 PolarHBondContact O-N 3.5Å; F275-K277 VanDerWaalsContact C-N 3.3Å; F275-K277 PolarHBondContact O-N 3.02Å; F275-A278 PolarHBondContact O-N 3.37Å; F275-L279 WeakPolarHBondContact O-CG 3.41Å; F275-L279 PolarHBondContact O-N 3.11Å; F275-Y293 HydrophobicContact CB-CD1 3.57Å; F275-Y293 HydrophobicContact CB-CD2 3.89Å; F275-Y293 HydrophobicContact CB-CE1 3.74Å; F275-Y293 HydrophobicContact CB-CE2 4.07Å; F275-Y293 HydrophobicContact CB-CG 3.65Å; F275-Y293 HydrophobicContact CD1-CD2 4.08Å; F275-Y293 AromaticContact CD1-CG 3.99Å; F275-Y293 HydrophobicContact CD1-CG 3.99Å; F275-Y293 HydrophobicContact CD2-CD2 4.27Å; F275-Y293 HydrophobicContact CD2-CE2 4.36Å; F275-Y293 HydrophobicContact CG-CD1 4.35Å; F275-Y293 AromaticContact CG-CD2 3.83Å; F275-Y293 HydrophobicContact CG-CD2 3.83Å; F275-Y293 HydrophobicContact CG-CE2 4.22Å; F275-Y293 AromaticContact CG-CG 3.92Å; F275-Y293 HydrophobicContact CG-CG 3.92Å; F275-F296 HydrophobicContact CD2-CD1 4.43Å; F275-F296 HydrophobicContact CE1-CB 3.95Å; F275-F296 HydrophobicContact CE1-CG 4.29Å; F275-F296 HydrophobicContact CE2-CB 4.34Å; F275-F296 AromaticContact CE2-CD1 3.73Å; F275-F296 HydrophobicContact CE2-CD1 3.73Å; F275-F296 HydrophobicContact CE2-CD2 4.08Å; F275-F296 AromaticContact CE2-CE1 3.95Å; F275-F296 HydrophobicContact CE2-CE1 3.95Å; F275-F296 HydrophobicContact CE2-CE2 4.29Å; F275-F296 AromaticContact CE2-CG 3.79Å; F275-F296 HydrophobicContact CE2-CG 3.79Å; F275-F296 HydrophobicContact CE2-CZ 4.22Å; F275-F296 HydrophobicContact CZ-CB 3.62Å; F275-F296 AromaticContact CZ-CD1 3.9Å; F275-F296 HydrophobicContact CZ-CD1 3.9Å; F275-F296 AromaticContact CZ-CD2 3.77Å; F275-F296 HydrophobicContact CZ-CD2 3.77Å; F275-F296 HydrophobicContact CZ-CE1 4.49Å; F275-F296 HydrophobicContact CZ-CE2 4.38Å; F275-F296 AromaticContact CZ-CG 3.48Å; F275-F296 HydrophobicContact CZ-CG 3.48Å; F275-F296 VanDerWaalsContact CZ-CG 3.48Å
276	E	95.8	Very high	93.2	Very high	22 Å²	22	67.1 Å²	67.1	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-38.9	174.9	-60.4	-62.9	158	0	0	111.1	V190 L272 R273 L279 D280 Y293 R312	V190-E276 HydrophobicContact CB-CG 3.98Å; V190-E276 VanDerWaalsContact CB-OE1 3.27Å; V190-E276 WeakPolarHBondContact CB-OE1 3.26Å; V190-E276 HydrophobicContact CG1-CG 3.78Å; V190-E276 WeakPolarHBondContact CG2-OE1 3.26Å; L272-E276 PolarHBondContact O-N 2.86Å; L272-E276 VanDerWaalsContact O-N 3.16Å; R273-E276 PolarHBondContact O-N 2.99Å; E276-L279 WeakPolarHBondContact O-CB 3.45Å; E276-L279 PolarHBondContact O-N 3.19Å; E276-D280 PolarHBondContact O-N 3.4Å; E276-Y293 WeakPolarHBondContact OE1-CE1 3.49Å; E276-Y293 PolarHBondContact OE1-OH 3.36Å; E276-R312 IonicContact OE1-CZ 2.66Å; E276-R312 IonicContact OE1-NH1 3.87Å; E276-R312 PolarHBondContact OE1-NH1 2.87Å; E276-R312 IonicContact OE1-NH2 2.94Å; E276-R312 PolarHBondContact OE1-NH2 2.9Å; E276-R312 IonicContact OE2-CZ 3.04Å; E276-R312 IonicContact OE2-NH1 2.77Å; E276-R312 IonicContact OE2-NH2 3.17Å; E276-R312 PolarHBondContact OE2-NH2 3.3Å
277	K	94.5	Very high	93	Very high	134 Å²	134	66.3 Å²	66.3	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-62.3	-44.8	172.2	-175.8	176.7	178	177	0	112.1	R273 F275 L279 D280 D281	R273-K277 WeakPolarHBondContact O-CB 3.2Å; R273-K277 PolarHBondContact O-N 3.25Å; F275-K277 VanDerWaalsContact C-N 3.3Å; F275-K277 PolarHBondContact O-N 3.02Å; K277-L279 PolarHBondContact O-N 2.79Å; K277-D280 WeakPolarHBondContact O-CB 3.49Å; K277-D280 PolarHBondContact O-N 3.36Å; K277-D281 VanDerWaalsContact O-CG 3.23Å; K277-D281 PolarHBondContact O-N 3.42Å
278	A	95.1	Very high	92.8	Very high	30 Å²	30	65.2 Å²	65.2	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-30.4	177.7	0	0	0	0	0	112.9	P274 F275 C282 A289	P274-A278 WeakPolarHBondContact O-CB 3.4Å; P274-A278 PolarHBondContact O-N 2.92Å; F275-A278 PolarHBondContact O-N 3.37Å; A278-C282 WeakPolarHBondContact O-CB 3.4Å; A278-C282 PolarHBondContact O-N 3.22Å; A278-C282 PolarHBondContact O-SG 3.15Å; A278-A289 HydrophobicContact CB-CB 4.28Å
279	L	95.1	Very high	92.8	Very high	15 Å²	15	63.8 Å²	63.8	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-69.6	-42	171	-70.7	172.6	0	0	0	111.5	F275 E276 K277 D281 C282 R283 P286 A289 Y290 Y293	F275-L279 WeakPolarHBondContact O-CG 3.41Å; F275-L279 PolarHBondContact O-N 3.11Å; E276-L279 WeakPolarHBondContact O-CB 3.45Å; E276-L279 PolarHBondContact O-N 3.19Å; K277-L279 PolarHBondContact O-N 2.79Å; L279-D281 VanDerWaalsContact C-N 3.32Å; L279-D281 PolarHBondContact O-N 2.86Å; L279-C282 CarbonylContact O-C 3.51Å; L279-C282 PolarHBondContact O-N 2.83Å; L279-R283 PolarHBondContact O-N 3.33Å; L279-P286 HydrophobicContact CD2-CB 4.03Å; L279-A289 HydrophobicContact CD2-CB 3.74Å; L279-A289 HydrophobicContact CG-CB 4.3Å; L279-Y290 HydrophobicContact CD1-CD1 4.33Å; L279-Y290 HydrophobicContact CD1-CE1 3.87Å; L279-Y290 HydrophobicContact CD2-CD1 3.87Å; L279-Y290 HydrophobicContact CD2-CD2 3.54Å; L279-Y290 HydrophobicContact CD2-CE1 3.9Å; L279-Y290 HydrophobicContact CD2-CE2 3.61Å; L279-Y290 HydrophobicContact CD2-CG 3.69Å; L279-Y293 HydrophobicContact CD1-CD1 3.96Å; L279-Y293 HydrophobicContact CD1-CE1 4.18Å
280	D	92.2	Very high	92.9	Very high	63 Å²	63	63.8 Å²	63.8	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-38.3	175.5	-157	52.6	0	0	0	112.4	R30 E276 K277 C282 R283	R30-D280 IonicContact NH1-OD2 3.91Å; R30-D280 IonicContact NH2-OD2 3.25Å; R30-D280 PolarHBondContact NH2-OD2 3.26Å; E276-D280 PolarHBondContact O-N 3.4Å; K277-D280 WeakPolarHBondContact O-CB 3.49Å; K277-D280 PolarHBondContact O-N 3.36Å; D280-C282 VanDerWaalsContact C-N 3.32Å; D280-C282 PolarHBondContact O-N 3Å; D280-R283 WeakPolarHBondContact O-CD 3.45Å; D280-R283 VanDerWaalsContact O-CG 3.31Å; D280-R283 WeakPolarHBondContact O-CG 3.32Å; D280-R283 IonicContact OD1-CZ 2.85Å; D280-R283 IonicContact OD1-NE 2.74Å; D280-R283 PolarHBondContact OD1-NE 3.45Å; D280-R283 IonicContact OD1-NH2 3.95Å; D280-R283 PolarHBondContact OD1-NH2 2.96Å
281	D	91.1	Very high	92.9	Very high	113 Å²	113	62.3 Å²	62.3	60%	0.604	32%	0.322	S	S	*	.	H	α-helix	trans	-72.5	-23.2	179.4	-65.5	-22.6	0	0	0	112.5	K277 L279	K277-D281 VanDerWaalsContact O-CG 3.23Å; K277-D281 PolarHBondContact O-N 3.42Å; L279-D281 VanDerWaalsContact C-N 3.32Å; L279-D281 PolarHBondContact O-N 2.86Å
282	C	88.9	Confident	92.9	Very high	54 Å²	54	63 Å²	63	37%	0.365	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	33.6	-175.6	-55.1	0	0	0	0	113.3	A278 L279 D280 D284 D285 P286	A278-C282 WeakPolarHBondContact O-CB 3.4Å; A278-C282 PolarHBondContact O-N 3.22Å; A278-C282 PolarHBondContact O-SG 3.15Å; L279-C282 CarbonylContact O-C 3.51Å; L279-C282 PolarHBondContact O-N 2.83Å; D280-C282 VanDerWaalsContact C-N 3.32Å; D280-C282 PolarHBondContact O-N 3Å; C282-D284 PolarHBondContact O-N 2.51Å; C282-D284 VanDerWaalsContact O-N 3.1Å; C282-D285 CarbonylContact O-C 3.48Å; C282-D285 PolarHBondContact O-N 3.22Å; C282-D285 VanDerWaalsContact O-N 3.15Å; C282-P286 VanDerWaalsContact O-CA 3.32Å; C282-P286 WeakPolarHBondContact O-CA 3.3Å
283	R	82.8	Confident	92.9	Very high	125 Å²	125	63.1 Å²	63.1	47%	0.472	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.1	-172.2	-79.4	166.2	176.8	-138.9	1	114.9	L279 D280	L279-R283 PolarHBondContact O-N 3.33Å; D280-R283 WeakPolarHBondContact O-CD 3.45Å; D280-R283 VanDerWaalsContact O-CG 3.31Å; D280-R283 WeakPolarHBondContact O-CG 3.32Å; D280-R283 IonicContact OD1-CZ 2.85Å; D280-R283 IonicContact OD1-NE 2.74Å; D280-R283 PolarHBondContact OD1-NE 3.45Å; D280-R283 IonicContact OD1-NH2 3.95Å; D280-R283 PolarHBondContact OD1-NH2 2.96Å
284	D	79.9	Confident	92.9	Very high	156 Å²	156	59.2 Å²	59.2	83%	0.834	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.2	-177	-58.9	-40.1	0	0	0	113.6	C282	C282-D284 PolarHBondContact O-N 2.51Å; C282-D284 VanDerWaalsContact O-N 3.1Å
285	D	85.6	Confident	92.9	Very high	101 Å²	101	59.7 Å²	59.7	54%	0.54	31%	0.307	S	S	.	.			trans	-142.8	77.9	174.1	-175.7	11.1	0	0	0	110.8	C282 A287	C282-D285 CarbonylContact O-C 3.48Å; C282-D285 PolarHBondContact O-N 3.22Å; C282-D285 VanDerWaalsContact O-N 3.15Å; D285-A287 PolarHBondContact O-N 3.43Å; D285-A287 VanDerWaalsContact O-N 3.14Å; D285-A287 VanDerWaalsContact OD1-CB 3.28Å; D285-A287 WeakPolarHBondContact OD1-CB 3.41Å; D285-A287 PolarHBondContact OD1-N 3.49Å
286	P	92.8	Very high	92.8	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.071	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.8	-174.1	31.8	-33.9	0	0	0	112.2	L279 C282 I288 A289 Y290 M317	L279-P286 HydrophobicContact CD2-CB 4.03Å; C282-P286 VanDerWaalsContact O-CA 3.32Å; C282-P286 WeakPolarHBondContact O-CA 3.3Å; P286-I288 VanDerWaalsContact C-N 3.32Å; P286-I288 PolarHBondContact O-N 2.88Å; P286-A289 PolarHBondContact O-N 3.42Å; P286-Y290 HydrophobicContact CB-CD2 3.75Å; P286-Y290 HydrophobicContact CB-CE2 3.87Å; P286-Y290 HydrophobicContact CG-CD2 4.06Å; P286-Y290 HydrophobicContact CG-CE2 3.98Å; P286-Y290 WeakPolarHBondContact O-CB 3.29Å; P286-Y290 WeakPolarHBondContact O-CD2 3.34Å; P286-Y290 PolarHBondContact O-N 3.29Å; P286-M317 HydrophobicContact CG-CE 4.23Å; P286-M317 HydrophobicContact CG-CG 3.97Å; P286-M317 HydrophobicContact CG-SD 3.75Å
287	A	93	Very high	92.8	Very high	14 Å²	14	59.7 Å²	59.7	12%	0.116	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-42.4	-172.7	0	0	0	0	0	112.8	D285 N291 M317	D285-A287 PolarHBondContact O-N 3.43Å; D285-A287 VanDerWaalsContact O-N 3.14Å; D285-A287 VanDerWaalsContact OD1-CB 3.28Å; D285-A287 WeakPolarHBondContact OD1-CB 3.41Å; D285-A287 PolarHBondContact OD1-N 3.49Å; A287-N291 WeakPolarHBondContact O-CB 3.33Å; A287-N291 PolarHBondContact O-N 3.26Å; A287-N291 PolarHBondContact O-ND2 3.47Å; A287-M317 HydrophobicContact CB-CE 4.48Å; A287-M317 HydrophobicContact CB-SD 3.83Å
288	I	92.9	Very high	92.7	Very high	114 Å²	114	57 Å²	57	59%	0.585	30%	0.297	S	S	*	.	H	α-helix	trans	-68.2	-47.2	179.6	-63.2	176	0	0	0	110.5	P286 N291 Q292	P286-I288 VanDerWaalsContact C-N 3.32Å; P286-I288 PolarHBondContact O-N 2.88Å; I288-N291 PolarHBondContact O-N 3.07Å; I288-Q292 WeakPolarHBondContact O-CG 3.13Å; I288-Q292 PolarHBondContact O-N 2.94Å
289	A	95.5	Very high	92.5	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-45.6	179.7	0	0	0	0	0	111.3	A278 L279 P286 N291 Q292 Y293	A278-A289 HydrophobicContact CB-CB 4.28Å; L279-A289 HydrophobicContact CD2-CB 3.74Å; L279-A289 HydrophobicContact CG-CB 4.3Å; P286-A289 PolarHBondContact O-N 3.42Å; A289-N291 PolarHBondContact O-N 3.24Å; A289-Q292 PolarHBondContact O-N 2.91Å; A289-Y293 WeakPolarHBondContact O-CB 3.38Å; A289-Y293 PolarHBondContact O-N 3.09Å
290	Y	97.4	Very high	92.2	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-44	173.3	-88.4	-61	0	0	0	112.9	L279 P286 Q292 Y293 I294 L309 R312 A313 D316 M317	L279-Y290 HydrophobicContact CD1-CD1 4.33Å; L279-Y290 HydrophobicContact CD1-CE1 3.87Å; L279-Y290 HydrophobicContact CD2-CD1 3.87Å; L279-Y290 HydrophobicContact CD2-CD2 3.54Å; L279-Y290 HydrophobicContact CD2-CE1 3.9Å; L279-Y290 HydrophobicContact CD2-CE2 3.61Å; L279-Y290 HydrophobicContact CD2-CG 3.69Å; P286-Y290 HydrophobicContact CB-CD2 3.75Å; P286-Y290 HydrophobicContact CB-CE2 3.87Å; P286-Y290 HydrophobicContact CG-CD2 4.06Å; P286-Y290 HydrophobicContact CG-CE2 3.98Å; P286-Y290 WeakPolarHBondContact O-CB 3.29Å; P286-Y290 WeakPolarHBondContact O-CD2 3.34Å; P286-Y290 PolarHBondContact O-N 3.29Å; Y290-Q292 VanDerWaalsContact C-N 3.35Å; Y290-Q292 PolarHBondContact O-N 3.39Å; Y290-Y293 PolarHBondContact O-N 2.98Å; Y290-I294 WeakPolarHBondContact O-CB 3.46Å; Y290-I294 WeakPolarHBondContact O-CD1 3.48Å; Y290-I294 WeakPolarHBondContact O-CG1 3.41Å; Y290-I294 PolarHBondContact O-N 3.04Å; Y290-L309 HydrophobicContact CD1-CD1 4.01Å; Y290-L309 HydrophobicContact CE1-CD1 3.96Å; Y290-R312 HydrophobicContact CE1-CB 4.4Å; Y290-A313 HydrophobicContact CD1-CB 3.57Å; Y290-A313 HydrophobicContact CD2-CB 4.11Å; Y290-A313 HydrophobicContact CE1-CB 3.78Å; Y290-A313 HydrophobicContact CE2-CB 4.27Å; Y290-A313 HydrophobicContact CG-CB 3.74Å; Y290-D316 HydrophobicContact CE2-CB 3.99Å; Y290-D316 VanDerWaalsContact OH-CG 3.28Å; Y290-D316 PolarHBondContact OH-OD2 3.35Å; Y290-M317 HydrophobicContact CD2-CE 3.31Å; Y290-M317 HydrophobicContact CE2-CE 3.95Å; Y290-M317 HydrophobicContact CG-CE 4.05Å
291	N	96.1	Very high	91.9	Very high	48 Å²	48	68.1 Å²	68.1	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-61.2	-43.7	179.1	-84.7	-60.5	0	0	0	112	A287 I288 A289 Y293 I294 D295 R326	A287-N291 WeakPolarHBondContact O-CB 3.33Å; A287-N291 PolarHBondContact O-N 3.26Å; A287-N291 PolarHBondContact O-ND2 3.47Å; I288-N291 PolarHBondContact O-N 3.07Å; A289-N291 PolarHBondContact O-N 3.24Å; N291-Y293 VanDerWaalsContact C-N 3.34Å; N291-Y293 PolarHBondContact O-N 3.19Å; N291-I294 PolarHBondContact O-N 2.96Å; N291-D295 WeakPolarHBondContact O-CB 3.42Å; N291-D295 PolarHBondContact O-N 3.01Å; N291-R326 PolarHBondContact O-NH1 3.44Å; N291-R326 PolarHBondContact OD1-NH1 3.28Å
292	Q	95.8	Very high	91.8	Very high	109 Å²	109	65.7 Å²	65.7	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-40.8	176.3	-68.7	176.5	3.1	0	0	111.9	I288 A289 Y290 D295 F296	I288-Q292 WeakPolarHBondContact O-CG 3.13Å; I288-Q292 PolarHBondContact O-N 2.94Å; A289-Q292 PolarHBondContact O-N 2.91Å; Y290-Q292 VanDerWaalsContact C-N 3.35Å; Y290-Q292 PolarHBondContact O-N 3.39Å; Q292-D295 PolarHBondContact O-N 3.47Å; Q292-F296 PolarHBondContact O-N 3.02Å; Q292-F296 VanDerWaalsContact O-N 3.08Å
293	Y	97.2	Very high	92	Very high	1 Å²	1	66.3 Å²	66.3	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-67.2	-42.3	177.2	-162.7	172.5	0	0	0	111.8	L272 F275 E276 L279 A289 Y290 N291 D295 F296 E297 L309	L272-Y293 HydrophobicContact CD2-CE2 3.77Å; F275-Y293 HydrophobicContact CB-CD1 3.57Å; F275-Y293 HydrophobicContact CB-CD2 3.89Å; F275-Y293 HydrophobicContact CB-CE1 3.74Å; F275-Y293 HydrophobicContact CB-CE2 4.07Å; F275-Y293 HydrophobicContact CB-CG 3.65Å; F275-Y293 HydrophobicContact CD1-CD2 4.08Å; F275-Y293 AromaticContact CD1-CG 3.99Å; F275-Y293 HydrophobicContact CD1-CG 3.99Å; F275-Y293 HydrophobicContact CD2-CD2 4.27Å; F275-Y293 HydrophobicContact CD2-CE2 4.36Å; F275-Y293 HydrophobicContact CG-CD1 4.35Å; F275-Y293 AromaticContact CG-CD2 3.83Å; F275-Y293 HydrophobicContact CG-CD2 3.83Å; F275-Y293 HydrophobicContact CG-CE2 4.22Å; F275-Y293 AromaticContact CG-CG 3.92Å; F275-Y293 HydrophobicContact CG-CG 3.92Å; E276-Y293 WeakPolarHBondContact OE1-CE1 3.49Å; E276-Y293 PolarHBondContact OE1-OH 3.36Å; L279-Y293 HydrophobicContact CD1-CD1 3.96Å; L279-Y293 HydrophobicContact CD1-CE1 4.18Å; A289-Y293 WeakPolarHBondContact O-CB 3.38Å; A289-Y293 PolarHBondContact O-N 3.09Å; Y290-Y293 PolarHBondContact O-N 2.98Å; N291-Y293 VanDerWaalsContact C-N 3.34Å; N291-Y293 PolarHBondContact O-N 3.19Å; Y293-D295 PolarHBondContact O-N 2.96Å; Y293-F296 HydrophobicContact CD2-CD1 4.46Å; Y293-F296 WeakPolarHBondContact O-CB 3.25Å; Y293-F296 PolarHBondContact O-N 3.19Å; Y293-E297 HydrophobicContact CD2-CG 4.12Å; Y293-E297 HydrophobicContact CE2-CG 4.04Å; Y293-E297 PolarHBondContact O-N 3.31Å; Y293-L309 HydrophobicContact CD1-CD1 3.61Å; Y293-L309 HydrophobicContact CD1-CD2 4.18Å; Y293-L309 HydrophobicContact CD2-CD2 3.69Å; Y293-L309 HydrophobicContact CE1-CD1 3.8Å; Y293-L309 HydrophobicContact CE2-CD2 4.16Å; Y293-L309 HydrophobicContact CG-CD1 4Å; Y293-L309 HydrophobicContact CG-CD2 3.68Å
294	I	96.7	Very high	92.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.3	-70.9	164	0	0	0	110.5	Y290 N291 F296 E297 M298 L306 L309 F310 I323	Y290-I294 WeakPolarHBondContact O-CB 3.46Å; Y290-I294 WeakPolarHBondContact O-CD1 3.48Å; Y290-I294 WeakPolarHBondContact O-CG1 3.41Å; Y290-I294 PolarHBondContact O-N 3.04Å; N291-I294 PolarHBondContact O-N 2.96Å; I294-F296 VanDerWaalsContact C-N 3.3Å; I294-F296 PolarHBondContact O-N 2.69Å; I294-E297 PolarHBondContact O-N 3.48Å; I294-M298 HydrophobicContact CG2-CG 4.11Å; I294-M298 HydrophobicContact CG2-SD 3.91Å; I294-M298 VanDerWaalsContact O-CB 3.28Å; I294-M298 WeakPolarHBondContact O-CB 3.5Å; I294-M298 WeakPolarHBondContact O-CG 3.37Å; I294-M298 PolarHBondContact O-N 3.44Å; I294-L306 HydrophobicContact CG2-CD1 4.09Å; I294-L309 HydrophobicContact CB-CD2 4.4Å; I294-L309 HydrophobicContact CG1-CD2 3.69Å; I294-L309 HydrophobicContact CG1-CG 3.92Å; I294-F310 HydrophobicContact CD1-CD1 3.85Å; I294-F310 HydrophobicContact CD1-CE1 3.74Å; I294-F310 HydrophobicContact CG1-CD1 4.47Å; I294-F310 HydrophobicContact CG1-CE1 4.28Å; I294-F310 HydrophobicContact CG2-CE1 3.78Å; I294-F310 HydrophobicContact CG2-CE2 4.36Å; I294-F310 HydrophobicContact CG2-CZ 3.58Å; I294-I323 HydrophobicContact CD1-CD1 3.53Å; I294-I323 HydrophobicContact CD1-CG1 4.48Å
295	D	95.5	Very high	93	Very high	93 Å²	93	56.7 Å²	56.7	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-58.3	-42.7	175	-80.8	-46.4	0	0	0	111.9	N291 Q292 Y293 G299 R326	N291-D295 WeakPolarHBondContact O-CB 3.42Å; N291-D295 PolarHBondContact O-N 3.01Å; Q292-D295 PolarHBondContact O-N 3.47Å; Y293-D295 PolarHBondContact O-N 2.96Å; D295-G299 PolarHBondContact O-N 3.14Å; D295-R326 IonicContact OD1-CZ 2.73Å; D295-R326 IonicContact OD1-NH1 3.39Å; D295-R326 IonicContact OD1-NH2 3.11Å; D295-R326 PolarHBondContact OD1-NH2 3.44Å; D295-R326 IonicContact OD2-CZ 3.31Å; D295-R326 IonicContact OD2-NH1 3.24Å; D295-R326 PolarHBondContact OD2-NH1 2.61Å; D295-R326 IonicContact OD2-NH2 3.1Å
296	F	95.5	Very high	93.4	Very high	64 Å²	64	52 Å²	52	28%	0.281	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-53.3	175.1	174.4	-102.9	0	0	0	111.9	L272 F275 Q292 Y293 I294 M298 G299 R300	L272-F296 HydrophobicContact CD2-CE1 3.98Å; F275-F296 HydrophobicContact CD2-CD1 4.43Å; F275-F296 HydrophobicContact CE1-CB 3.95Å; F275-F296 HydrophobicContact CE1-CG 4.29Å; F275-F296 HydrophobicContact CE2-CB 4.34Å; F275-F296 AromaticContact CE2-CD1 3.73Å; F275-F296 HydrophobicContact CE2-CD1 3.73Å; F275-F296 HydrophobicContact CE2-CD2 4.08Å; F275-F296 AromaticContact CE2-CE1 3.95Å; F275-F296 HydrophobicContact CE2-CE1 3.95Å; F275-F296 HydrophobicContact CE2-CE2 4.29Å; F275-F296 AromaticContact CE2-CG 3.79Å; F275-F296 HydrophobicContact CE2-CG 3.79Å; F275-F296 HydrophobicContact CE2-CZ 4.22Å; F275-F296 HydrophobicContact CZ-CB 3.62Å; F275-F296 AromaticContact CZ-CD1 3.9Å; F275-F296 HydrophobicContact CZ-CD1 3.9Å; F275-F296 AromaticContact CZ-CD2 3.77Å; F275-F296 HydrophobicContact CZ-CD2 3.77Å; F275-F296 HydrophobicContact CZ-CE1 4.49Å; F275-F296 HydrophobicContact CZ-CE2 4.38Å; F275-F296 AromaticContact CZ-CG 3.48Å; F275-F296 HydrophobicContact CZ-CG 3.48Å; F275-F296 VanDerWaalsContact CZ-CG 3.48Å; Q292-F296 PolarHBondContact O-N 3.02Å; Q292-F296 VanDerWaalsContact O-N 3.08Å; Y293-F296 HydrophobicContact CD2-CD1 4.46Å; Y293-F296 WeakPolarHBondContact O-CB 3.25Å; Y293-F296 PolarHBondContact O-N 3.19Å; I294-F296 VanDerWaalsContact C-N 3.3Å; I294-F296 PolarHBondContact O-N 2.69Å; F296-M298 PolarHBondContact O-N 3.04Å; F296-G299 PolarHBondContact O-N 3.01Å; F296-G299 VanDerWaalsContact O-N 3.15Å; F296-R300 PolarHBondContact O-N 3.45Å
297	E	94.4	Very high	93.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-34.4	-179.4	-74.2	-72.8	-171.9	0	0	112.9	Y293 I294 G299 R300 K301 R305 L306 L309	Y293-E297 HydrophobicContact CD2-CG 4.12Å; Y293-E297 HydrophobicContact CE2-CG 4.04Å; Y293-E297 PolarHBondContact O-N 3.31Å; I294-E297 PolarHBondContact O-N 3.48Å; E297-G299 VanDerWaalsContact C-N 3.26Å; E297-G299 PolarHBondContact O-N 2.88Å; E297-R300 PolarHBondContact O-N 3.42Å; E297-K301 PolarHBondContact O-N 3.25Å; E297-K301 VanDerWaalsContact O-N 3.12Å; E297-R305 IonicContact OE1-CZ 3.69Å; E297-R305 VanDerWaalsContact OE1-CZ 3.25Å; E297-R305 IonicContact OE1-NE 3.93Å; E297-R305 PolarHBondContact OE1-NE 3.04Å; E297-R305 IonicContact OE1-NH2 3.68Å; E297-R305 PolarHBondContact OE1-NH2 3.36Å; E297-R305 IonicContact OE2-NE 3.98Å; E297-L306 HydrophobicContact CB-CD1 3.93Å; E297-L309 HydrophobicContact CB-CD2 4.29Å; E297-L309 HydrophobicContact CG-CD2 3.93Å
298	M	93	Very high	93.5	Very high	78 Å²	78	52.7 Å²	52.7	38%	0.384	29%	0.285	S	S	.	.	H	α-helix	trans	-59.1	-37.8	172	-78.6	-175.6	74.9	0	0	111.8	I294 F296 R300 K301 L306 R326	I294-M298 HydrophobicContact CG2-CG 4.11Å; I294-M298 HydrophobicContact CG2-SD 3.91Å; I294-M298 VanDerWaalsContact O-CB 3.28Å; I294-M298 WeakPolarHBondContact O-CB 3.5Å; I294-M298 WeakPolarHBondContact O-CG 3.37Å; I294-M298 PolarHBondContact O-N 3.44Å; F296-M298 PolarHBondContact O-N 3.04Å; M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 2.86Å; M298-K301 PolarHBondContact O-N 3.29Å; M298-L306 HydrophobicContact CB-CD2 4.47Å; M298-L306 HydrophobicContact CG-CD1 4.02Å; M298-L306 HydrophobicContact CG-CD2 3.66Å; M298-R326 PolarHBondContact SD-NH2 2.84Å
299	G	90.5	Very high	93.7	Very high	60 Å²	60	47.5 Å²	47.5	62%	0.619	26%	0.258	S	S	*	.	H	α-helix	trans	-64.4	-33.1	174	0	0	0	0	0	113.4	D295 F296 E297	D295-G299 PolarHBondContact O-N 3.14Å; F296-G299 PolarHBondContact O-N 3.01Å; F296-G299 VanDerWaalsContact O-N 3.15Å; E297-G299 VanDerWaalsContact C-N 3.26Å; E297-G299 PolarHBondContact O-N 2.88Å
300	R	89	Confident	93.7	Very high	101 Å²	101	47.2 Å²	47.2	38%	0.381	26%	0.256	S	S	.	.	H	α-helix	trans	-80.5	-20.7	-179.2	-59.5	-170.9	73.2	155	-0.1	113.9	E268 F296 E297 M298 N302	E268-R300 VanDerWaalsContact CD-NH2 3.3Å; E268-R300 IonicContact OE1-CZ 3.84Å; E268-R300 IonicContact OE1-NE 3.11Å; E268-R300 IonicContact OE1-NH1 3.91Å; E268-R300 PolarHBondContact OE1-NH1 2.86Å; E268-R300 IonicContact OE1-NH2 3.72Å; E268-R300 PolarHBondContact OE1-NH2 3.45Å; E268-R300 VanDerWaalsContact OE1-NH2 3.17Å; E268-R300 IonicContact OE2-CZ 3.77Å; E268-R300 IonicContact OE2-NH1 3.31Å; E268-R300 PolarHBondContact OE2-NH1 3.37Å; E268-R300 IonicContact OE2-NH2 2.76Å; E268-R300 PolarHBondContact OE2-NH2 2.82Å; F296-R300 PolarHBondContact O-N 3.45Å; E297-R300 PolarHBondContact O-N 3.42Å; M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 2.86Å; R300-N302 VanDerWaalsContact C-N 3.33Å; R300-N302 PolarHBondContact O-N 3.35Å
301	K	85.9	Confident	93.6	Very high	180 Å²	180	48 Å²	48	78%	0.783	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	37	177.9	-54.8	179.3	-179.1	178	0	113.9	E297 M298 P303	E297-K301 PolarHBondContact O-N 3.25Å; E297-K301 VanDerWaalsContact O-N 3.12Å; M298-K301 PolarHBondContact O-N 3.29Å; K301-P303 VanDerWaalsContact O-CD 3.29Å; K301-P303 WeakPolarHBondContact O-CD 3.5Å
302	N	89.6	Confident	93.5	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	25%	0.25	S	S	.	.			trans	-95.3	102.3	170.7	-173.3	-25.5	0	0	0	109.9	R300 A304 R305 L306	R300-N302 VanDerWaalsContact C-N 3.33Å; R300-N302 PolarHBondContact O-N 3.35Å; N302-A304 VanDerWaalsContact C-N 3.33Å; N302-A304 PolarHBondContact O-N 3Å; N302-A304 PolarHBondContact OD1-N 3.26Å; N302-R305 HydrophobicContact CB-CB 4.22Å; N302-R305 HydrophobicContact CB-CG 4.48Å; N302-R305 WeakPolarHBondContact ND2-CD 3.2Å; N302-R305 PolarHBondContact OD1-N 3.5Å; N302-L306 VanDerWaalsContact O-CB 3.25Å; N302-L306 WeakPolarHBondContact O-CB 2.99Å; N302-L306 PolarHBondContact O-N 3.46Å
303	P	92.2	Very high	93.5	Very high	66 Å²	66	41.2 Å²	41.2	43%	0.429	23%	0.226	S	C	.	.	H	α-helix	trans	-67.1	-31.1	-173.2	26.8	-34.9	0	0	0	113.6	K301 A307 W330 I335	K301-P303 VanDerWaalsContact O-CD 3.29Å; K301-P303 WeakPolarHBondContact O-CD 3.5Å; P303-A307 WeakPolarHBondContact O-CB 3.41Å; P303-A307 PolarHBondContact O-N 3.33Å; P303-W330 HydrophobicContact CB-CH2 4.35Å; P303-W330 HydrophobicContact CB-CZ2 4.1Å; P303-I335 HydrophobicContact CB-CD1 3.81Å
304	A	91.6	Very high	93.4	Very high	54 Å²	54	41.1 Å²	41.1	45%	0.446	23%	0.226	S	C	.	.	H	α-helix	trans	-71.1	-45.7	-179.4	0	0	0	0	0	111.5	L188 N302 A307 C308	L188-A304 HydrophobicContact CD1-CB 3.91Å; N302-A304 VanDerWaalsContact C-N 3.33Å; N302-A304 PolarHBondContact O-N 3Å; N302-A304 PolarHBondContact OD1-N 3.26Å; A304-A307 PolarHBondContact O-N 3.39Å; A304-C308 WeakPolarHBondContact O-CB 3.32Å; A304-C308 PolarHBondContact O-N 2.81Å
305	R	92.7	Very high	93.1	Very high	25 Å²	25	42.6 Å²	42.6	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-42.2	175.2	-72	-172.6	60.8	74.7	16.7	111.8	L188 L272 E297 N302 C308 L309	L188-R305 HydrophobicContact CD1-CG 4.35Å; L272-R305 VanDerWaalsContact CD1-CZ 3.48Å; L272-R305 VanDerWaalsContact CD2-NH2 3.35Å; E297-R305 IonicContact OE1-CZ 3.69Å; E297-R305 VanDerWaalsContact OE1-CZ 3.25Å; E297-R305 IonicContact OE1-NE 3.93Å; E297-R305 PolarHBondContact OE1-NE 3.04Å; E297-R305 IonicContact OE1-NH2 3.68Å; E297-R305 PolarHBondContact OE1-NH2 3.36Å; E297-R305 IonicContact OE2-NE 3.98Å; N302-R305 HydrophobicContact CB-CB 4.22Å; N302-R305 HydrophobicContact CB-CG 4.48Å; N302-R305 WeakPolarHBondContact ND2-CD 3.2Å; N302-R305 PolarHBondContact OD1-N 3.5Å; R305-C308 PolarHBondContact O-N 2.74Å; R305-L309 WeakPolarHBondContact O-CB 3.29Å; R305-L309 PolarHBondContact O-N 3.27Å
306	L	94.1	Very high	92.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-40.1	179.7	-173.7	57.1	0	0	0	112.2	I294 E297 M298 N302 L309 F310 W330	I294-L306 HydrophobicContact CG2-CD1 4.09Å; E297-L306 HydrophobicContact CB-CD1 3.93Å; M298-L306 HydrophobicContact CB-CD2 4.47Å; M298-L306 HydrophobicContact CG-CD1 4.02Å; M298-L306 HydrophobicContact CG-CD2 3.66Å; N302-L306 VanDerWaalsContact O-CB 3.25Å; N302-L306 WeakPolarHBondContact O-CB 2.99Å; N302-L306 PolarHBondContact O-N 3.46Å; L306-L309 PolarHBondContact O-N 3.05Å; L306-F310 HydrophobicContact CD1-CD2 3.99Å; L306-F310 HydrophobicContact CD1-CE2 3.62Å; L306-F310 HydrophobicContact CD1-CZ 4.29Å; L306-F310 HydrophobicContact CD2-CE2 4.17Å; L306-F310 HydrophobicContact CG-CD2 3.88Å; L306-F310 HydrophobicContact CG-CE2 3.61Å; L306-F310 WeakPolarHBondContact O-CD2 2.74Å; L306-F310 PolarHBondContact O-N 2.71Å; L306-W330 HydrophobicContact CB-CH2 4.41Å; L306-W330 HydrophobicContact CB-CZ2 4.11Å; L306-W330 HydrophobicContact CD2-CD2 4.05Å; L306-W330 HydrophobicContact CD2-CG 4.28Å; L306-W330 HydrophobicContact CD2-CZ2 3.68Å; L306-W330 HydrophobicContact CG-CD2 4.38Å; L306-W330 HydrophobicContact CG-CH2 4.41Å; L306-W330 HydrophobicContact CG-CZ2 3.98Å
307	A	93.6	Very high	92.7	Very high	26 Å²	26	40.7 Å²	40.7	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-46.8	171.9	0	0	0	0	0	111.4	P303 A304 L309 F310 E311 W330	P303-A307 WeakPolarHBondContact O-CB 3.41Å; P303-A307 PolarHBondContact O-N 3.33Å; A304-A307 PolarHBondContact O-N 3.39Å; A307-L309 VanDerWaalsContact C-N 3.32Å; A307-L309 PolarHBondContact O-N 3.37Å; A307-F310 PolarHBondContact O-N 3.14Å; A307-E311 VanDerWaalsContact O-CG 3.29Å; A307-E311 WeakPolarHBondContact O-CG 3.33Å; A307-E311 PolarHBondContact O-N 3.14Å; A307-W330 HydrophobicContact CB-CH2 4.09Å; A307-W330 HydrophobicContact CB-CZ3 4.2Å
308	C	94.4	Very high	92.5	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.095	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-44.5	175.1	-177	0	0	0	0	111.5	L188 A304 R305 E311 R312	L188-C308 HydrophobicContact CB-CB 4.36Å; A304-C308 WeakPolarHBondContact O-CB 3.32Å; A304-C308 PolarHBondContact O-N 2.81Å; R305-C308 PolarHBondContact O-N 2.74Å; C308-E311 PolarHBondContact O-N 3.17Å; C308-R312 WeakPolarHBondContact O-CB 3.3Å; C308-R312 VanDerWaalsContact O-CG 3.22Å; C308-R312 WeakPolarHBondContact O-CG 3.42Å; C308-R312 PolarHBondContact O-N 3.29Å
309	L	96	Very high	92.3	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-40.6	178.7	-176.4	61.5	0	0	0	113	Y290 Y293 I294 E297 R305 L306 A307 R312 A313	Y290-L309 HydrophobicContact CD1-CD1 4.01Å; Y290-L309 HydrophobicContact CE1-CD1 3.96Å; Y293-L309 HydrophobicContact CD1-CD1 3.61Å; Y293-L309 HydrophobicContact CD1-CD2 4.18Å; Y293-L309 HydrophobicContact CD2-CD2 3.69Å; Y293-L309 HydrophobicContact CE1-CD1 3.8Å; Y293-L309 HydrophobicContact CE2-CD2 4.16Å; Y293-L309 HydrophobicContact CG-CD1 4Å; Y293-L309 HydrophobicContact CG-CD2 3.68Å; I294-L309 HydrophobicContact CB-CD2 4.4Å; I294-L309 HydrophobicContact CG1-CD2 3.69Å; I294-L309 HydrophobicContact CG1-CG 3.92Å; E297-L309 HydrophobicContact CB-CD2 4.29Å; E297-L309 HydrophobicContact CG-CD2 3.93Å; R305-L309 WeakPolarHBondContact O-CB 3.29Å; R305-L309 PolarHBondContact O-N 3.27Å; L306-L309 PolarHBondContact O-N 3.05Å; A307-L309 VanDerWaalsContact C-N 3.32Å; A307-L309 PolarHBondContact O-N 3.37Å; L309-R312 PolarHBondContact O-N 3.06Å; L309-A313 WeakPolarHBondContact O-CB 3.42Å; L309-A313 PolarHBondContact O-N 2.97Å
310	F	96.3	Very high	92.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-44.5	173.9	-83.7	-60	0	0	0	111.9	I294 L306 A307 R312 A313 I314 R326 Y327 W330	I294-F310 HydrophobicContact CD1-CD1 3.85Å; I294-F310 HydrophobicContact CD1-CE1 3.74Å; I294-F310 HydrophobicContact CG1-CD1 4.47Å; I294-F310 HydrophobicContact CG1-CE1 4.28Å; I294-F310 HydrophobicContact CG2-CE1 3.78Å; I294-F310 HydrophobicContact CG2-CE2 4.36Å; I294-F310 HydrophobicContact CG2-CZ 3.58Å; L306-F310 HydrophobicContact CD1-CD2 3.99Å; L306-F310 HydrophobicContact CD1-CE2 3.62Å; L306-F310 HydrophobicContact CD1-CZ 4.29Å; L306-F310 HydrophobicContact CD2-CE2 4.17Å; L306-F310 HydrophobicContact CG-CD2 3.88Å; L306-F310 HydrophobicContact CG-CE2 3.61Å; L306-F310 WeakPolarHBondContact O-CD2 2.74Å; L306-F310 PolarHBondContact O-N 2.71Å; A307-F310 PolarHBondContact O-N 3.14Å; F310-R312 VanDerWaalsContact C-N 3.33Å; F310-R312 PolarHBondContact O-N 2.97Å; F310-A313 PolarHBondContact O-N 2.84Å; F310-I314 WeakPolarHBondContact O-CG1 3.45Å; F310-I314 PolarHBondContact O-N 3.17Å; F310-R326 HydrophobicContact CE1-CB 4.37Å; F310-R326 HydrophobicContact CE1-CG 4.08Å; F310-R326 HydrophobicContact CZ-CG 4.3Å; F310-Y327 HydrophobicContact CB-CD1 4.29Å; F310-Y327 HydrophobicContact CB-CD2 3.52Å; F310-Y327 HydrophobicContact CB-CE1 4.4Å; F310-Y327 HydrophobicContact CB-CE2 3.73Å; F310-Y327 HydrophobicContact CB-CG 3.83Å; F310-Y327 HydrophobicContact CD1-CD2 4.05Å; F310-Y327 HydrophobicContact CD1-CG 4.09Å; F310-Y327 AromaticContact CD2-CD2 3.51Å; F310-Y327 HydrophobicContact CD2-CD2 3.51Å; F310-Y327 AromaticContact CD2-CE2 4Å; F310-Y327 HydrophobicContact CD2-CE2 4Å; F310-Y327 HydrophobicContact CD2-CG 4.36Å; F310-Y327 HydrophobicContact CE2-CD2 4.19Å; F310-Y327 AromaticContact CG-CD2 3.44Å; F310-Y327 HydrophobicContact CG-CD2 3.44Å; F310-Y327 VanDerWaalsContact CG-CD2 3.44Å; F310-Y327 HydrophobicContact CG-CE2 4.05Å; F310-Y327 AromaticContact CG-CG 3.87Å; F310-Y327 HydrophobicContact CG-CG 3.87Å; F310-W330 HydrophobicContact CD2-CD2 4.25Å; F310-W330 AromaticContact CD2-CE3 3.82Å; F310-W330 HydrophobicContact CD2-CE3 3.82Å; F310-W330 HydrophobicContact CD2-CZ3 4.24Å; F310-W330 HydrophobicContact CE2-CB 3.9Å; F310-W330 AromaticContact CE2-CD2 3.72Å; F310-W330 HydrophobicContact CE2-CD2 3.72Å; F310-W330 AromaticContact CE2-CE3 3.76Å; F310-W330 HydrophobicContact CE2-CE3 3.76Å; F310-W330 AromaticContact CE2-CG 3.79Å; F310-W330 HydrophobicContact CE2-CG 3.79Å; F310-W330 HydrophobicContact CZ-CB 4.1Å; F310-W330 HydrophobicContact CZ-CG 4.39Å
311	E	95.4	Very high	92.7	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-35.6	178.5	-65.1	-71.6	173.4	0	0	111.7	A154 A307 C308 I314 A315 Y327 R347	A154-E311 HydrophobicContact CB-CB 3.56Å; A154-E311 WeakPolarHBondContact CB-O 3.31Å; A307-E311 VanDerWaalsContact O-CG 3.29Å; A307-E311 WeakPolarHBondContact O-CG 3.33Å; A307-E311 PolarHBondContact O-N 3.14Å; C308-E311 PolarHBondContact O-N 3.17Å; E311-I314 PolarHBondContact O-N 3.48Å; E311-A315 PolarHBondContact O-N 2.94Å; E311-Y327 WeakPolarHBondContact OE1-CE1 2.98Å; E311-Y327 PolarHBondContact OE1-OH 3.03Å; E311-R347 VanDerWaalsContact CD-NH1 3.25Å; E311-R347 IonicContact OE1-CZ 3.23Å; E311-R347 IonicContact OE1-NH1 3.94Å; E311-R347 PolarHBondContact OE1-NH1 3.45Å; E311-R347 IonicContact OE2-CZ 3.98Å; E311-R347 VanDerWaalsContact OE2-CZ 3.26Å; E311-R347 IonicContact OE2-NH1 2.72Å; E311-R347 PolarHBondContact OE2-NH1 3.22Å; E311-R347 IonicContact OE2-NH2 2.82Å; E311-R347 PolarHBondContact OE2-NH2 2.96Å
312	R	94.6	Very high	93.2	Very high	14 Å²	14	34.7 Å²	34.7	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-49.7	169.8	-73	170.1	66.4	-165.5	-1.1	111.6	H189 E276 Y290 C308 L309 F310 I314 A315 D316	H189-R312 VanDerWaalsContact CD2-CD 3.47Å; H189-R312 WeakPolarHBondContact CD2-CD 3.31Å; H189-R312 PolarHBondContact CD2-NE 3.42Å; H189-R312 PolarHBondContact CE1-NE 3.11Å; H189-R312 PolarHBondContact CE1-NH2 3.27Å; H189-R312 PolarHBondContact NE2-NE 2.91Å; E276-R312 IonicContact OE1-CZ 2.66Å; E276-R312 IonicContact OE1-NH1 3.87Å; E276-R312 PolarHBondContact OE1-NH1 2.87Å; E276-R312 IonicContact OE1-NH2 2.94Å; E276-R312 PolarHBondContact OE1-NH2 2.9Å; E276-R312 IonicContact OE2-CZ 3.04Å; E276-R312 IonicContact OE2-NH1 2.77Å; E276-R312 IonicContact OE2-NH2 3.17Å; E276-R312 PolarHBondContact OE2-NH2 3.3Å; Y290-R312 HydrophobicContact CE1-CB 4.4Å; C308-R312 WeakPolarHBondContact O-CB 3.3Å; C308-R312 VanDerWaalsContact O-CG 3.22Å; C308-R312 WeakPolarHBondContact O-CG 3.42Å; C308-R312 PolarHBondContact O-N 3.29Å; L309-R312 PolarHBondContact O-N 3.06Å; F310-R312 VanDerWaalsContact C-N 3.33Å; F310-R312 PolarHBondContact O-N 2.97Å; R312-I314 PolarHBondContact O-N 2.91Å; R312-A315 WeakPolarHBondContact O-CA 3.37Å; R312-A315 WeakPolarHBondContact O-CB 3.48Å; R312-A315 PolarHBondContact O-N 3.1Å; R312-D316 PolarHBondContact O-N 3.13Å
313	A	95.2	Very high	93.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-31.7	179	0	0	0	0	0	112.7	Y290 L309 F310 M317 I323	Y290-A313 HydrophobicContact CD1-CB 3.57Å; Y290-A313 HydrophobicContact CD2-CB 4.11Å; Y290-A313 HydrophobicContact CE1-CB 3.78Å; Y290-A313 HydrophobicContact CE2-CB 4.27Å; Y290-A313 HydrophobicContact CG-CB 3.74Å; L309-A313 WeakPolarHBondContact O-CB 3.42Å; L309-A313 PolarHBondContact O-N 2.97Å; F310-A313 PolarHBondContact O-N 2.84Å; A313-M317 HydrophobicContact CB-CE 4.42Å; A313-M317 PolarHBondContact O-N 3.25Å; A313-I323 HydrophobicContact CB-CD1 4.16Å; A313-I323 HydrophobicContact CB-CG1 3.77Å
314	I	94.4	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-74.5	-33.6	174.1	-72.7	163.3	0	0	0	111.9	M152 F310 E311 R312 M317 P318 I323 W324 Y327	M152-I314 HydrophobicContact CE-CG2 4.36Å; M152-I314 HydrophobicContact SD-CG2 4.44Å; F310-I314 WeakPolarHBondContact O-CG1 3.45Å; F310-I314 PolarHBondContact O-N 3.17Å; E311-I314 PolarHBondContact O-N 3.48Å; R312-I314 PolarHBondContact O-N 2.91Å; I314-M317 CarbonylContact O-C 3.44Å; I314-P318 WeakPolarHBondContact O-CA 3.39Å; I314-P318 WeakPolarHBondContact O-CB 3.5Å; I314-P318 WeakPolarHBondContact O-CD 3.36Å; I314-I323 HydrophobicContact CG1-CG2 4.28Å; I314-W324 HydrophobicContact CB-CZ2 4.37Å; I314-W324 HydrophobicContact CD1-CD2 4.11Å; I314-W324 HydrophobicContact CD1-CE3 3.81Å; I314-W324 HydrophobicContact CD1-CH2 3.88Å; I314-W324 HydrophobicContact CD1-CZ2 4.17Å; I314-W324 HydrophobicContact CD1-CZ3 3.69Å; I314-W324 HydrophobicContact CG1-CD2 4.26Å; I314-W324 HydrophobicContact CG1-CE3 4.45Å; I314-W324 HydrophobicContact CG1-CH2 4.36Å; I314-W324 HydrophobicContact CG1-CZ2 4.15Å; I314-W324 HydrophobicContact CG2-CH2 3.68Å; I314-W324 HydrophobicContact CG2-CZ2 3.31Å; I314-Y327 HydrophobicContact CD1-CD1 3.29Å; I314-Y327 HydrophobicContact CD1-CE1 3.72Å; I314-Y327 HydrophobicContact CD1-CG 4.22Å
315	A	91.5	Very high	94	Very high	30 Å²	30	27.2 Å²	27.2	25%	0.248	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-43.4	172.9	0	0	0	0	0	112.2	M152 A154 E311 R312	M152-A315 HydrophobicContact CE-CB 3.85Å; A154-A315 HydrophobicContact CB-CB 4.44Å; E311-A315 PolarHBondContact O-N 2.94Å; R312-A315 WeakPolarHBondContact O-CA 3.37Å; R312-A315 WeakPolarHBondContact O-CB 3.48Å; R312-A315 PolarHBondContact O-N 3.1Å
316	D	90.3	Very high	94.1	Very high	98 Å²	98	28.5 Å²	28.5	52%	0.524	16%	0.157	S	C	.	.	H	α-helix	trans	-79.1	-35.5	-178.7	-69.3	18.1	0	0	0	112	Y290 R312 P318	Y290-D316 HydrophobicContact CE2-CB 3.99Å; Y290-D316 VanDerWaalsContact OH-CG 3.28Å; Y290-D316 PolarHBondContact OH-OD2 3.35Å; R312-D316 PolarHBondContact O-N 3.13Å; D316-P318 VanDerWaalsContact C-CD 3.46Å
317	M	91.1	Very high	94.2	Very high	20 Å²	20	28.5 Å²	28.5	10%	0.099	16%	0.157	C	C	.	.			trans	-130.2	63.5	-177.6	-58.9	174.4	-68.8	0	0	112.9	P286 A287 Y290 A313 I314 F319 N320	P286-M317 HydrophobicContact CG-CE 4.23Å; P286-M317 HydrophobicContact CG-CG 3.97Å; P286-M317 HydrophobicContact CG-SD 3.75Å; A287-M317 HydrophobicContact CB-CE 4.48Å; A287-M317 HydrophobicContact CB-SD 3.83Å; Y290-M317 HydrophobicContact CD2-CE 3.31Å; Y290-M317 HydrophobicContact CE2-CE 3.95Å; Y290-M317 HydrophobicContact CG-CE 4.05Å; A313-M317 HydrophobicContact CB-CE 4.42Å; A313-M317 PolarHBondContact O-N 3.25Å; I314-M317 CarbonylContact O-C 3.44Å; M317-F319 PolarHBondContact O-N 2.81Å; M317-F319 VanDerWaalsContact O-N 3.1Å; M317-N320 HydrophobicContact CB-CB 3.9Å; M317-N320 WeakPolarHBondContact O-CB 3.48Å; M317-N320 PolarHBondContact O-N 3.13Å; M317-N320 VanDerWaalsContact O-N 3.12Å
318	P	90.5	Very high	94.3	Very high	22 Å²	22	27.3 Å²	27.3	14%	0.143	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.4	-172.9	20.8	-31.3	0	0	0	114	I314 D316 W324 F351	I314-P318 WeakPolarHBondContact O-CA 3.39Å; I314-P318 WeakPolarHBondContact O-CB 3.5Å; I314-P318 WeakPolarHBondContact O-CD 3.36Å; D316-P318 VanDerWaalsContact C-CD 3.46Å; P318-W324 PolarHBondContact O-NE1 3.44Å; P318-F351 HydrophobicContact CB-CD1 3.49Å; P318-F351 VanDerWaalsContact CB-CD1 3.49Å; P318-F351 HydrophobicContact CB-CE1 3.55Å; P318-F351 HydrophobicContact CB-CG 4.45Å
319	F	90.5	Very high	94.2	Very high	92 Å²	92	30.9 Å²	30.9	40%	0.404	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.9	-178.3	-54.9	-73.5	0	0	0	113.5	Y87 M317 K321 F351 L352	Y87-F319 HydrophobicContact CD2-CZ 4.05Å; Y87-F319 HydrophobicContact CE2-CZ 4.1Å; M317-F319 PolarHBondContact O-N 2.81Å; M317-F319 VanDerWaalsContact O-N 3.1Å; F319-K321 PolarHBondContact O-N 3.08Å; F319-F351 VanDerWaalsContact CD1-O 3.24Å; F319-F351 WeakPolarHBondContact CD1-O 3.38Å; F319-F351 HydrophobicContact CE1-CD1 4.36Å; F319-L352 WeakPolarHBondContact O-CD2 3.1Å
320	N	92.8	Very high	94.1	Very high	48 Å²	48	31.5 Å²	31.5	26%	0.257	17%	0.167	S	C	.	.			trans	-84.2	107.6	178.7	-173	-57.5	0	0	0	111.4	M317 A322 I323 W324	M317-N320 HydrophobicContact CB-CB 3.9Å; M317-N320 WeakPolarHBondContact O-CB 3.48Å; M317-N320 PolarHBondContact O-N 3.13Å; M317-N320 VanDerWaalsContact O-N 3.12Å; N320-A322 VanDerWaalsContact C-N 3.31Å; N320-A322 PolarHBondContact O-N 2.98Å; N320-A322 WeakPolarHBondContact OD1-CB 2.93Å; N320-A322 PolarHBondContact OD1-N 2.78Å; N320-I323 HydrophobicContact CB-CG2 4.01Å; N320-I323 WeakPolarHBondContact O-CG2 3.2Å; N320-I323 PolarHBondContact O-N 2.94Å; N320-I323 PolarHBondContact OD1-N 3.24Å; N320-I323 VanDerWaalsContact OD1-N 3.11Å; N320-W324 VanDerWaalsContact O-CD1 3.28Å; N320-W324 PolarHBondContact O-N 3Å
321	K	95	Very high	93.9	Very high	70 Å²	70	31.6 Å²	31.6	30%	0.304	17%	0.168	S	C	.	.	H	α-helix	trans	-54.9	-42.4	178.9	-179.9	-173.1	-178.1	153.5	0	113.8	F319 W324 L325 L352 D355 E357	F319-K321 PolarHBondContact O-N 3.08Å; K321-W324 PolarHBondContact O-N 3.42Å; K321-L325 HydrophobicContact CD-CD1 4.33Å; K321-L325 HydrophobicContact CG-CD1 3.96Å; K321-L325 HydrophobicContact CG-CG 4.3Å; K321-L325 PolarHBondContact O-N 3.49Å; K321-L352 HydrophobicContact CB-CD1 4.25Å; K321-D355 WeakPolarHBondContact CD-OD2 3.43Å; K321-D355 WeakPolarHBondContact CE-OD2 3.36Å; K321-D355 IonicContact NZ-OD1 3.2Å; K321-D355 PolarHBondContact NZ-OD1 3.33Å; K321-D355 IonicContact NZ-OD2 2.64Å; K321-D355 PolarHBondContact NZ-OD2 3.43Å; K321-E357 WeakPolarHBondContact CE-OE2 3.38Å; K321-E357 IonicContact NZ-OE2 3.48Å; K321-E357 PolarHBondContact NZ-OE2 3.38Å
322	A	95.5	Very high	93.4	Very high	61 Å²	61	34.5 Å²	34.5	50%	0.504	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-41.6	-172.1	0	0	0	0	0	111.6	N320 L325 R326	N320-A322 VanDerWaalsContact C-N 3.31Å; N320-A322 PolarHBondContact O-N 2.98Å; N320-A322 WeakPolarHBondContact OD1-CB 2.93Å; N320-A322 PolarHBondContact OD1-N 2.78Å; A322-L325 PolarHBondContact O-N 3.44Å; A322-R326 WeakPolarHBondContact O-CB 3.47Å; A322-R326 PolarHBondContact O-N 2.84Å; A322-R326 VanDerWaalsContact O-N 3.08Å
323	I	95.7	Very high	93	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-41.9	178.6	-150.4	68.4	0	0	0	111.3	I294 A313 I314 N320 R326 Y327	I294-I323 HydrophobicContact CD1-CD1 3.53Å; I294-I323 HydrophobicContact CD1-CG1 4.48Å; A313-I323 HydrophobicContact CB-CD1 4.16Å; A313-I323 HydrophobicContact CB-CG1 3.77Å; I314-I323 HydrophobicContact CG1-CG2 4.28Å; N320-I323 HydrophobicContact CB-CG2 4.01Å; N320-I323 WeakPolarHBondContact O-CG2 3.2Å; N320-I323 PolarHBondContact O-N 2.94Å; N320-I323 PolarHBondContact OD1-N 3.24Å; N320-I323 VanDerWaalsContact OD1-N 3.11Å; I323-R326 WeakPolarHBondContact O-CB 3.13Å; I323-R326 PolarHBondContact O-N 3.09Å; I323-Y327 PolarHBondContact O-N 2.91Å
324	W	96.8	Very high	92.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-51.4	175.1	-82.4	108.8	0	0	0	112.1	I314 P318 N320 K321 R326 Y327 L328 V344 R347 A348 F351 L352 I358	I314-W324 HydrophobicContact CB-CZ2 4.37Å; I314-W324 HydrophobicContact CD1-CD2 4.11Å; I314-W324 HydrophobicContact CD1-CE3 3.81Å; I314-W324 HydrophobicContact CD1-CH2 3.88Å; I314-W324 HydrophobicContact CD1-CZ2 4.17Å; I314-W324 HydrophobicContact CD1-CZ3 3.69Å; I314-W324 HydrophobicContact CG1-CD2 4.26Å; I314-W324 HydrophobicContact CG1-CE3 4.45Å; I314-W324 HydrophobicContact CG1-CH2 4.36Å; I314-W324 HydrophobicContact CG1-CZ2 4.15Å; I314-W324 HydrophobicContact CG2-CH2 3.68Å; I314-W324 HydrophobicContact CG2-CZ2 3.31Å; P318-W324 PolarHBondContact O-NE1 3.44Å; N320-W324 VanDerWaalsContact O-CD1 3.28Å; N320-W324 PolarHBondContact O-N 3Å; K321-W324 PolarHBondContact O-N 3.42Å; W324-R326 PolarHBondContact O-N 2.91Å; W324-Y327 HydrophobicContact CZ3-CD1 4.47Å; W324-Y327 PolarHBondContact O-N 3.4Å; W324-Y327 VanDerWaalsContact O-N 3.14Å; W324-L328 WeakPolarHBondContact O-CB 3.46Å; W324-L328 VanDerWaalsContact O-CG 3.28Å; W324-L328 WeakPolarHBondContact O-CG 3.41Å; W324-L328 PolarHBondContact O-N 3.48Å; W324-V344 HydrophobicContact CZ3-CG1 4.06Å; W324-R347 HydrophobicContact CH2-CB 3.91Å; W324-R347 HydrophobicContact CZ3-CB 4.33Å; W324-A348 HydrophobicContact CD2-CB 3.95Å; W324-A348 HydrophobicContact CE3-CB 3.42Å; W324-A348 VanDerWaalsContact CE3-CB 3.42Å; W324-A348 HydrophobicContact CZ3-CB 3.74Å; W324-F351 HydrophobicContact CH2-CD2 4.03Å; W324-F351 HydrophobicContact CZ2-CB 3.88Å; W324-F351 AromaticContact CZ2-CD2 3.54Å; W324-F351 HydrophobicContact CZ2-CD2 3.54Å; W324-F351 HydrophobicContact CZ2-CE2 4.33Å; W324-F351 AromaticContact CZ2-CG 3.79Å; W324-F351 HydrophobicContact CZ2-CG 3.79Å; W324-L352 HydrophobicContact CB-CD1 4.15Å; W324-L352 HydrophobicContact CG-CD1 4.02Å; W324-I358 HydrophobicContact CB-CD1 3.99Å
325	L	96.7	Very high	91.9	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-37.1	179.3	-76.3	177.3	0	0	0	112	K321 A322 N329 E357 I358 K361	K321-L325 HydrophobicContact CD-CD1 4.33Å; K321-L325 HydrophobicContact CG-CD1 3.96Å; K321-L325 HydrophobicContact CG-CG 4.3Å; K321-L325 PolarHBondContact O-N 3.49Å; A322-L325 PolarHBondContact O-N 3.44Å; L325-N329 WeakPolarHBondContact O-CB 3.43Å; L325-N329 VanDerWaalsContact O-CG 3.31Å; L325-N329 PolarHBondContact O-N 3.08Å; L325-N329 PolarHBondContact O-ND2 3.4Å; L325-E357 HydrophobicContact CD2-CG 4.37Å; L325-I358 HydrophobicContact CD2-CD1 3.71Å; L325-I358 HydrophobicContact CG-CD1 3.85Å; L325-K361 HydrophobicContact CD2-CD 3.67Å; L325-K361 PolarHBondContact O-NZ 3.18Å
326	R	95.4	Very high	91	Very high	51 Å²	51	50.2 Å²	50.2	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-46.2	176.5	-166.3	176.2	176.9	161.7	5	111.7	N291 D295 M298 F310 A322 I323 W324 N329 W330	N291-R326 PolarHBondContact O-NH1 3.44Å; N291-R326 PolarHBondContact OD1-NH1 3.28Å; D295-R326 IonicContact OD1-CZ 2.73Å; D295-R326 IonicContact OD1-NH1 3.39Å; D295-R326 IonicContact OD1-NH2 3.11Å; D295-R326 PolarHBondContact OD1-NH2 3.44Å; D295-R326 IonicContact OD2-CZ 3.31Å; D295-R326 IonicContact OD2-NH1 3.24Å; D295-R326 PolarHBondContact OD2-NH1 2.61Å; D295-R326 IonicContact OD2-NH2 3.1Å; M298-R326 PolarHBondContact SD-NH2 2.84Å; F310-R326 HydrophobicContact CE1-CB 4.37Å; F310-R326 HydrophobicContact CE1-CG 4.08Å; F310-R326 HydrophobicContact CZ-CG 4.3Å; A322-R326 WeakPolarHBondContact O-CB 3.47Å; A322-R326 PolarHBondContact O-N 2.84Å; A322-R326 VanDerWaalsContact O-N 3.08Å; I323-R326 WeakPolarHBondContact O-CB 3.13Å; I323-R326 PolarHBondContact O-N 3.09Å; W324-R326 PolarHBondContact O-N 2.91Å; R326-N329 PolarHBondContact O-N 3.25Å; R326-W330 PolarHBondContact O-N 3.28Å
327	Y	96	Very high	91	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-48.4	175.8	-175.4	-153.9	0	0	0	111.9	F310 E311 I314 I323 W324 N329 W330 L331 V344	F310-Y327 HydrophobicContact CB-CD1 4.29Å; F310-Y327 HydrophobicContact CB-CD2 3.52Å; F310-Y327 HydrophobicContact CB-CE1 4.4Å; F310-Y327 HydrophobicContact CB-CE2 3.73Å; F310-Y327 HydrophobicContact CB-CG 3.83Å; F310-Y327 HydrophobicContact CD1-CD2 4.05Å; F310-Y327 HydrophobicContact CD1-CG 4.09Å; F310-Y327 AromaticContact CD2-CD2 3.51Å; F310-Y327 HydrophobicContact CD2-CD2 3.51Å; F310-Y327 AromaticContact CD2-CE2 4Å; F310-Y327 HydrophobicContact CD2-CE2 4Å; F310-Y327 HydrophobicContact CD2-CG 4.36Å; F310-Y327 HydrophobicContact CE2-CD2 4.19Å; F310-Y327 AromaticContact CG-CD2 3.44Å; F310-Y327 HydrophobicContact CG-CD2 3.44Å; F310-Y327 VanDerWaalsContact CG-CD2 3.44Å; F310-Y327 HydrophobicContact CG-CE2 4.05Å; F310-Y327 AromaticContact CG-CG 3.87Å; F310-Y327 HydrophobicContact CG-CG 3.87Å; E311-Y327 WeakPolarHBondContact OE1-CE1 2.98Å; E311-Y327 PolarHBondContact OE1-OH 3.03Å; I314-Y327 HydrophobicContact CD1-CD1 3.29Å; I314-Y327 HydrophobicContact CD1-CE1 3.72Å; I314-Y327 HydrophobicContact CD1-CG 4.22Å; I323-Y327 PolarHBondContact O-N 2.91Å; W324-Y327 HydrophobicContact CZ3-CD1 4.47Å; W324-Y327 PolarHBondContact O-N 3.4Å; W324-Y327 VanDerWaalsContact O-N 3.14Å; Y327-N329 VanDerWaalsContact C-N 3.34Å; Y327-N329 PolarHBondContact O-N 3.44Å; Y327-W330 AromaticContact CD2-CE3 3.9Å; Y327-W330 HydrophobicContact CD2-CE3 3.9Å; Y327-W330 HydrophobicContact CD2-CZ3 4.36Å; Y327-W330 AromaticContact CE2-CE3 3.89Å; Y327-W330 HydrophobicContact CE2-CE3 3.89Å; Y327-W330 AromaticContact CE2-CZ3 3.88Å; Y327-W330 HydrophobicContact CE2-CZ3 3.88Å; Y327-W330 PolarHBondContact O-N 3.46Å; Y327-W330 VanDerWaalsContact O-N 3.15Å; Y327-L331 HydrophobicContact CD1-CD1 4.48Å; Y327-L331 HydrophobicContact CD2-CD1 4.05Å; Y327-L331 HydrophobicContact CD2-CG 3.96Å; Y327-L331 HydrophobicContact CE1-CD1 4.3Å; Y327-L331 HydrophobicContact CE2-CD1 3.76Å; Y327-L331 HydrophobicContact CE2-CD2 3.92Å; Y327-L331 HydrophobicContact CE2-CG 3.74Å; Y327-L331 HydrophobicContact CG-CD1 4.41Å; Y327-L331 WeakPolarHBondContact O-CG 3.39Å; Y327-L331 PolarHBondContact O-N 3.35Å; Y327-V344 HydrophobicContact CD1-CG1 3.52Å; Y327-V344 HydrophobicContact CE1-CB 4.32Å; Y327-V344 HydrophobicContact CE1-CG1 3.28Å; Y327-V344 HydrophobicContact CE1-CG2 4.02Å; Y327-V344 HydrophobicContact CG-CG1 4.47Å
328	L	95.4	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-39	178.8	-65.1	-176.2	0	0	0	112.6	W324 D332 V344 F345 A348 I358 K361	W324-L328 WeakPolarHBondContact O-CB 3.46Å; W324-L328 VanDerWaalsContact O-CG 3.28Å; W324-L328 WeakPolarHBondContact O-CG 3.41Å; W324-L328 PolarHBondContact O-N 3.48Å; L328-D332 WeakPolarHBondContact O-CB 3.2Å; L328-D332 PolarHBondContact O-N 3.4Å; L328-D332 VanDerWaalsContact O-N 3.1Å; L328-V344 HydrophobicContact CD2-CG1 3.76Å; L328-F345 HydrophobicContact CB-CD1 4.41Å; L328-F345 HydrophobicContact CB-CE1 3.85Å; L328-F345 HydrophobicContact CD1-CD1 3.9Å; L328-F345 HydrophobicContact CD1-CE1 4.08Å; L328-F345 HydrophobicContact CD2-CD1 3.52Å; L328-F345 HydrophobicContact CD2-CE1 3.74Å; L328-F345 HydrophobicContact CD2-CG 4.13Å; L328-F345 HydrophobicContact CD2-CZ 4.47Å; L328-F345 HydrophobicContact CG-CD1 4.13Å; L328-F345 HydrophobicContact CG-CE1 4.08Å; L328-A348 HydrophobicContact CD1-CB 3.83Å; L328-A348 HydrophobicContact CD2-CB 4.3Å; L328-A348 HydrophobicContact CG-CB 4.41Å; L328-I358 HydrophobicContact CD1-CD1 4.49Å; L328-K361 HydrophobicContact CB-CD 3.97Å; L328-K361 HydrophobicContact CD1-CD 3.93Å; L328-K361 HydrophobicContact CD1-CG 4.35Å
329	N	93.6	Very high	91.1	Very high	89 Å²	89	57.1 Å²	57.1	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-41.3	174.3	-84.7	-27.2	0	0	0	112.3	L325 R326 Y327 S333 K361	L325-N329 WeakPolarHBondContact O-CB 3.43Å; L325-N329 VanDerWaalsContact O-CG 3.31Å; L325-N329 PolarHBondContact O-N 3.08Å; L325-N329 PolarHBondContact O-ND2 3.4Å; R326-N329 PolarHBondContact O-N 3.25Å; Y327-N329 VanDerWaalsContact C-N 3.34Å; Y327-N329 PolarHBondContact O-N 3.44Å; N329-S333 WeakPolarHBondContact O-CB 3.09Å; N329-S333 PolarHBondContact O-N 2.75Å; N329-S333 VanDerWaalsContact O-N 3.08Å; N329-S333 PolarHBondContact O-OG 3.15Å; N329-K361 PolarHBondContact ND2-NZ 3.15Å; N329-K361 VanDerWaalsContact OD1-CE 3.31Å; N329-K361 WeakPolarHBondContact OD1-CE 3.39Å; N329-K361 PolarHBondContact OD1-NZ 3.1Å
330	W	94	Very high	91.1	Very high	19 Å²	19	56.1 Å²	56.1	7%	0.072	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-43.7	178	174	72.3	0	0	0	111.4	P303 L306 A307 F310 R326 Y327 S333 S334 I335	P303-W330 HydrophobicContact CB-CH2 4.35Å; P303-W330 HydrophobicContact CB-CZ2 4.1Å; L306-W330 HydrophobicContact CB-CH2 4.41Å; L306-W330 HydrophobicContact CB-CZ2 4.11Å; L306-W330 HydrophobicContact CD2-CD2 4.05Å; L306-W330 HydrophobicContact CD2-CG 4.28Å; L306-W330 HydrophobicContact CD2-CZ2 3.68Å; L306-W330 HydrophobicContact CG-CD2 4.38Å; L306-W330 HydrophobicContact CG-CH2 4.41Å; L306-W330 HydrophobicContact CG-CZ2 3.98Å; A307-W330 HydrophobicContact CB-CH2 4.09Å; A307-W330 HydrophobicContact CB-CZ3 4.2Å; F310-W330 HydrophobicContact CD2-CD2 4.25Å; F310-W330 AromaticContact CD2-CE3 3.82Å; F310-W330 HydrophobicContact CD2-CE3 3.82Å; F310-W330 HydrophobicContact CD2-CZ3 4.24Å; F310-W330 HydrophobicContact CE2-CB 3.9Å; F310-W330 AromaticContact CE2-CD2 3.72Å; F310-W330 HydrophobicContact CE2-CD2 3.72Å; F310-W330 AromaticContact CE2-CE3 3.76Å; F310-W330 HydrophobicContact CE2-CE3 3.76Å; F310-W330 AromaticContact CE2-CG 3.79Å; F310-W330 HydrophobicContact CE2-CG 3.79Å; F310-W330 HydrophobicContact CZ-CB 4.1Å; F310-W330 HydrophobicContact CZ-CG 4.39Å; R326-W330 PolarHBondContact O-N 3.28Å; Y327-W330 AromaticContact CD2-CE3 3.9Å; Y327-W330 HydrophobicContact CD2-CE3 3.9Å; Y327-W330 HydrophobicContact CD2-CZ3 4.36Å; Y327-W330 AromaticContact CE2-CE3 3.89Å; Y327-W330 HydrophobicContact CE2-CE3 3.89Å; Y327-W330 AromaticContact CE2-CZ3 3.88Å; Y327-W330 HydrophobicContact CE2-CZ3 3.88Å; Y327-W330 PolarHBondContact O-N 3.46Å; Y327-W330 VanDerWaalsContact O-N 3.15Å; W330-S333 PolarHBondContact O-N 3.17Å; W330-S333 PolarHBondContact O-OG 3.12Å; W330-S334 WeakPolarHBondContact O-CB 3.32Å; W330-S334 PolarHBondContact O-N 3.37Å; W330-S334 PolarHBondContact O-OG 2.7Å; W330-I335 HydrophobicContact CE3-CG1 4.24Å; W330-I335 HydrophobicContact CH2-CD1 3.69Å; W330-I335 HydrophobicContact CH2-CG1 3.52Å; W330-I335 HydrophobicContact CZ2-CD1 3.78Å; W330-I335 HydrophobicContact CZ2-CG1 3.81Å; W330-I335 HydrophobicContact CZ3-CD1 4.4Å; W330-I335 HydrophobicContact CZ3-CG1 3.74Å
331	L	92.1	Very high	91.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-51.5	175.1	-72.9	174.2	0	0	0	111.6	Y327 S333 S334 I335 V344	Y327-L331 HydrophobicContact CD1-CD1 4.48Å; Y327-L331 HydrophobicContact CD2-CD1 4.05Å; Y327-L331 HydrophobicContact CD2-CG 3.96Å; Y327-L331 HydrophobicContact CE1-CD1 4.3Å; Y327-L331 HydrophobicContact CE2-CD1 3.76Å; Y327-L331 HydrophobicContact CE2-CD2 3.92Å; Y327-L331 HydrophobicContact CE2-CG 3.74Å; Y327-L331 HydrophobicContact CG-CD1 4.41Å; Y327-L331 WeakPolarHBondContact O-CG 3.39Å; Y327-L331 PolarHBondContact O-N 3.35Å; L331-S333 VanDerWaalsContact C-N 3.32Å; L331-S333 PolarHBondContact O-N 2.76Å; L331-S334 PolarHBondContact O-N 3.06Å; L331-I335 HydrophobicContact CD2-CB 3.83Å; L331-I335 HydrophobicContact CD2-CG1 3.87Å; L331-I335 HydrophobicContact CD2-CG2 4.1Å; L331-I335 CarbonylContact O-C 3.54Å; L331-I335 WeakPolarHBondContact O-CA 3.25Å; L331-I335 PolarHBondContact O-N 2.8Å; L331-V344 HydrophobicContact CD1-CB 3.63Å; L331-V344 HydrophobicContact CD1-CG1 3.57Å; L331-V344 HydrophobicContact CD1-CG2 3.84Å
332	D	84.8	Confident	91	Very high	80 Å²	80	51.9 Å²	51.9	43%	0.428	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-37.6	-178.7	-169.7	41.8	0	0	0	113.1	L328	L328-D332 WeakPolarHBondContact O-CB 3.2Å; L328-D332 PolarHBondContact O-N 3.4Å; L328-D332 VanDerWaalsContact O-N 3.1Å
333	S	85.3	Confident	90.9	Very high	86 Å²	86	53.9 Å²	53.9	60%	0.601	28%	0.28	S	S	*	.	H	α-helix	trans	-82.9	-30.1	-178.3	58.5	0	0	0	0	114.5	N329 W330 L331	N329-S333 WeakPolarHBondContact O-CB 3.09Å; N329-S333 PolarHBondContact O-N 2.75Å; N329-S333 VanDerWaalsContact O-N 3.08Å; N329-S333 PolarHBondContact O-OG 3.15Å; W330-S333 PolarHBondContact O-N 3.17Å; W330-S333 PolarHBondContact O-OG 3.12Å; L331-S333 VanDerWaalsContact C-N 3.32Å; L331-S333 PolarHBondContact O-N 2.76Å
334	S	84.8	Confident	90.9	Very high	66 Å²	66	53.9 Å²	53.9	46%	0.462	28%	0.28	S	S	.	.	H	α-helix	trans	-121.5	-35.7	-165.2	-54.3	0	0	0	0	114	W330 L331	W330-S334 WeakPolarHBondContact O-CB 3.32Å; W330-S334 PolarHBondContact O-N 3.37Å; W330-S334 PolarHBondContact O-OG 2.7Å; L331-S334 PolarHBondContact O-N 3.06Å
335	I	81.2	Confident	90.8	Very high	31 Å²	31	54 Å²	54	16%	0.159	28%	0.28	C	S	.	.			trans	-105.3	112.5	-173.3	-58.7	-58.8	0	0	0	110.4	P303 W330 L331 V337 L340 C341	P303-I335 HydrophobicContact CB-CD1 3.81Å; W330-I335 HydrophobicContact CE3-CG1 4.24Å; W330-I335 HydrophobicContact CH2-CD1 3.69Å; W330-I335 HydrophobicContact CH2-CG1 3.52Å; W330-I335 HydrophobicContact CZ2-CD1 3.78Å; W330-I335 HydrophobicContact CZ2-CG1 3.81Å; W330-I335 HydrophobicContact CZ3-CD1 4.4Å; W330-I335 HydrophobicContact CZ3-CG1 3.74Å; L331-I335 HydrophobicContact CD2-CB 3.83Å; L331-I335 HydrophobicContact CD2-CG1 3.87Å; L331-I335 HydrophobicContact CD2-CG2 4.1Å; L331-I335 CarbonylContact O-C 3.54Å; L331-I335 WeakPolarHBondContact O-CA 3.25Å; L331-I335 PolarHBondContact O-N 2.8Å; I335-V337 HydrophobicContact CG2-CB 4.16Å; I335-V337 HydrophobicContact CG2-CG2 4.13Å; I335-V337 PolarHBondContact O-N 2.71Å; I335-L340 HydrophobicContact CG2-CD2 4.1Å; I335-C341 PolarHBondContact O-SG 2.82Å
336	K	74.4	Confident	90.7	Very high	191 Å²	191	56 Å²	56	83%	0.83	29%	0.286	S	S	*	.			trans	-98.8	44.6	-177.7	-61.4	-177	-179.5	179.2	0	112.4	P338	K336-P338 WeakPolarHBondContact O-CD 3.34Å
337	V	89.9	Confident	90.7	Very high	75 Å²	75	54.5 Å²	54.5	46%	0.455	28%	0.281	S	S	.	.			trans	-114	95.7	178.5	-175.9	0	0	0	0	108.3	I335 E339 L340 C341	I335-V337 HydrophobicContact CG2-CB 4.16Å; I335-V337 HydrophobicContact CG2-CG2 4.13Å; I335-V337 PolarHBondContact O-N 2.71Å; V337-E339 VanDerWaalsContact C-N 3.32Å; V337-E339 PolarHBondContact O-N 3.36Å; V337-L340 HydrophobicContact CB-CB 4.14Å; V337-L340 HydrophobicContact CG1-CB 3.95Å; V337-L340 PolarHBondContact O-N 2.83Å; V337-C341 PolarHBondContact O-N 3.43Å; V337-C341 PolarHBondContact O-SG 3.47Å; V337-C341 VanDerWaalsContact O-SG 3.37Å
338	P	91.1	Very high	90.7	Very high	58 Å²	58	54.4 Å²	54.4	38%	0.377	28%	0.28	S	S	.	.	H	α-helix	trans	-57.1	-40.9	-169.4	-28.4	36	0	0	0	114.4	K336 C341 Q342 N369	K336-P338 WeakPolarHBondContact O-CD 3.34Å; P338-C341 PolarHBondContact O-N 2.98Å; P338-Q342 WeakPolarHBondContact O-CB 3.26Å; P338-Q342 VanDerWaalsContact O-CG 3.27Å; P338-Q342 WeakPolarHBondContact O-CG 3.44Å; P338-Q342 PolarHBondContact O-N 3.43Å; P338-N369 WeakPolarHBondContact CA-OD1 3.04Å; P338-N369 HydrophobicContact CB-CB 3.99Å
339	E	90.9	Very high	90.6	Very high	152 Å²	152	54.5 Å²	54.5	71%	0.71	28%	0.281	S	S	*	.	H	α-helix	trans	-62.9	-45.9	-179.3	-66.2	177.1	-175.6	0	0	112	V337 Q342 K343	V337-E339 VanDerWaalsContact C-N 3.32Å; V337-E339 PolarHBondContact O-N 3.36Å; E339-Q342 PolarHBondContact O-N 3.24Å; E339-K343 WeakPolarHBondContact O-CG 3.33Å; E339-K343 PolarHBondContact O-N 2.73Å; E339-K343 VanDerWaalsContact O-N 3.07Å
340	L	90.8	Very high	90.5	Very high	70 Å²	70	52.8 Å²	52.8	37%	0.366	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-49.6	176.3	176.5	62.6	0	0	0	110.6	I335 V337 Q342 K343 V344	I335-L340 HydrophobicContact CG2-CD2 4.1Å; V337-L340 HydrophobicContact CB-CB 4.14Å; V337-L340 HydrophobicContact CG1-CB 3.95Å; V337-L340 PolarHBondContact O-N 2.83Å; L340-Q342 PolarHBondContact O-N 3.02Å; L340-K343 PolarHBondContact O-N 3.17Å; L340-V344 HydrophobicContact CD1-CG2 4.2Å; L340-V344 WeakPolarHBondContact O-CG2 2.99Å; L340-V344 PolarHBondContact O-N 3.36Å
341	C	92.7	Very high	90.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-50	179.2	-67.8	0	0	0	0	111	I335 V337 P338 K343 V344 F345	I335-C341 PolarHBondContact O-SG 2.82Å; V337-C341 PolarHBondContact O-N 3.43Å; V337-C341 PolarHBondContact O-SG 3.47Å; V337-C341 VanDerWaalsContact O-SG 3.37Å; P338-C341 PolarHBondContact O-N 2.98Å; C341-K343 VanDerWaalsContact C-N 3.33Å; C341-K343 PolarHBondContact O-N 3.48Å; C341-V344 PolarHBondContact O-N 3.45Å; C341-F345 HydrophobicContact CB-CD2 4.22Å; C341-F345 HydrophobicContact CB-CE2 3.99Å; C341-F345 WeakPolarHBondContact O-CD2 3.19Å; C341-F345 PolarHBondContact O-N 3.11Å
342	Q	93.6	Very high	90.4	Very high	29 Å²	29	53 Å²	53	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-42.1	178.2	-73.5	-177.4	42	0	0	112.7	P338 E339 L340 R346 N369 A371	P338-Q342 WeakPolarHBondContact O-CB 3.26Å; P338-Q342 VanDerWaalsContact O-CG 3.27Å; P338-Q342 WeakPolarHBondContact O-CG 3.44Å; P338-Q342 PolarHBondContact O-N 3.43Å; E339-Q342 PolarHBondContact O-N 3.24Å; L340-Q342 PolarHBondContact O-N 3.02Å; Q342-R346 WeakPolarHBondContact O-CG 3.45Å; Q342-R346 PolarHBondContact O-N 3.34Å; Q342-R346 VanDerWaalsContact O-N 3.1Å; Q342-N369 HydrophobicContact CG-CB 3.79Å; Q342-N369 PolarHBondContact NE2-O 3.46Å; Q342-A371 HydrophobicContact CG-CB 4.44Å
343	K	93.5	Very high	90.6	Very high	103 Å²	103	49.9 Å²	49.9	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-47.8	177.1	-74.4	-173.3	-179.7	-134.9	0	111.5	E150 E339 L340 C341 R346 R347	E150-K343 IonicContact OE1-NZ 3.6Å; E150-K343 PolarHBondContact OE1-NZ 2.92Å; E339-K343 WeakPolarHBondContact O-CG 3.33Å; E339-K343 PolarHBondContact O-N 2.73Å; E339-K343 VanDerWaalsContact O-N 3.07Å; L340-K343 PolarHBondContact O-N 3.17Å; C341-K343 VanDerWaalsContact C-N 3.33Å; C341-K343 PolarHBondContact O-N 3.48Å; K343-R346 PolarHBondContact O-N 2.88Å; K343-R347 WeakPolarHBondContact O-CG 3.48Å; K343-R347 PolarHBondContact O-N 3.4Å
344	V	95.2	Very high	90.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-42.9	-179.9	-178.1	0	0	0	0	111.8	W324 Y327 L328 L331 L340 C341 R346 R347 A348	W324-V344 HydrophobicContact CZ3-CG1 4.06Å; Y327-V344 HydrophobicContact CD1-CG1 3.52Å; Y327-V344 HydrophobicContact CE1-CB 4.32Å; Y327-V344 HydrophobicContact CE1-CG1 3.28Å; Y327-V344 HydrophobicContact CE1-CG2 4.02Å; Y327-V344 HydrophobicContact CG-CG1 4.47Å; L328-V344 HydrophobicContact CD2-CG1 3.76Å; L331-V344 HydrophobicContact CD1-CB 3.63Å; L331-V344 HydrophobicContact CD1-CG1 3.57Å; L331-V344 HydrophobicContact CD1-CG2 3.84Å; L340-V344 HydrophobicContact CD1-CG2 4.2Å; L340-V344 WeakPolarHBondContact O-CG2 2.99Å; L340-V344 PolarHBondContact O-N 3.36Å; C341-V344 PolarHBondContact O-N 3.45Å; V344-R346 VanDerWaalsContact C-N 3.3Å; V344-R346 PolarHBondContact O-N 2.9Å; V344-R347 PolarHBondContact O-N 3.2Å; V344-A348 PolarHBondContact O-N 3.13Å
345	F	95.4	Very high	91.2	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-42.4	175.7	-78.3	-63.5	0	0	0	111.9	L328 C341 A348 A349 K361 S362	L328-F345 HydrophobicContact CB-CD1 4.41Å; L328-F345 HydrophobicContact CB-CE1 3.85Å; L328-F345 HydrophobicContact CD1-CD1 3.9Å; L328-F345 HydrophobicContact CD1-CE1 4.08Å; L328-F345 HydrophobicContact CD2-CD1 3.52Å; L328-F345 HydrophobicContact CD2-CE1 3.74Å; L328-F345 HydrophobicContact CD2-CG 4.13Å; L328-F345 HydrophobicContact CD2-CZ 4.47Å; L328-F345 HydrophobicContact CG-CD1 4.13Å; L328-F345 HydrophobicContact CG-CE1 4.08Å; C341-F345 HydrophobicContact CB-CD2 4.22Å; C341-F345 HydrophobicContact CB-CE2 3.99Å; C341-F345 WeakPolarHBondContact O-CD2 3.19Å; C341-F345 PolarHBondContact O-N 3.11Å; F345-A348 PolarHBondContact O-N 2.78Å; F345-A349 PolarHBondContact O-N 3.34Å; F345-K361 HydrophobicContact CE1-CG 4.19Å; F345-S362 VanDerWaalsContact O-CB 3.27Å; F345-S362 WeakPolarHBondContact O-CB 3.26Å; F345-S362 PolarHBondContact O-OG 3.06Å
346	R	94.3	Very high	91.7	Very high	66 Å²	66	47 Å²	47	25%	0.249	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-40.4	176.2	-71.5	-177.2	-167.2	106.9	2.9	112.3	Q342 K343 V344 A349 R350 S375 M379	Q342-R346 WeakPolarHBondContact O-CG 3.45Å; Q342-R346 PolarHBondContact O-N 3.34Å; Q342-R346 VanDerWaalsContact O-N 3.1Å; K343-R346 PolarHBondContact O-N 2.88Å; V344-R346 VanDerWaalsContact C-N 3.3Å; V344-R346 PolarHBondContact O-N 2.9Å; R346-A349 PolarHBondContact O-N 3.49Å; R346-R350 PolarHBondContact O-N 3.13Å; R346-S375 PolarHBondContact NE-OG 3.18Å; R346-S375 PolarHBondContact NH2-OG 2.98Å; R346-M379 HydrophobicContact CG-CE 4.15Å; R346-M379 HydrophobicContact CG-SD 3.81Å
347	R	94.7	Very high	92.7	Very high	21 Å²	21	42.3 Å²	42.3	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-47.2	175.9	-72.9	168.1	60.3	-144.9	-6	111.2	E150 E151 P153 E311 W324 K343 V344 A349 R350 F351	E150-R347 WeakPolarHBondContact O-CD 3.41Å; E151-R347 PolarHBondContact O-NE 3.1Å; E151-R347 PolarHBondContact O-NH2 2.92Å; P153-R347 VanDerWaalsContact CD-CZ 3.46Å; E311-R347 VanDerWaalsContact CD-NH1 3.25Å; E311-R347 IonicContact OE1-CZ 3.23Å; E311-R347 IonicContact OE1-NH1 3.94Å; E311-R347 PolarHBondContact OE1-NH1 3.45Å; E311-R347 IonicContact OE2-CZ 3.98Å; E311-R347 VanDerWaalsContact OE2-CZ 3.26Å; E311-R347 IonicContact OE2-NH1 2.72Å; E311-R347 PolarHBondContact OE2-NH1 3.22Å; E311-R347 IonicContact OE2-NH2 2.82Å; E311-R347 PolarHBondContact OE2-NH2 2.96Å; W324-R347 HydrophobicContact CH2-CB 3.91Å; W324-R347 HydrophobicContact CZ3-CB 4.33Å; K343-R347 WeakPolarHBondContact O-CG 3.48Å; K343-R347 PolarHBondContact O-N 3.4Å; V344-R347 PolarHBondContact O-N 3.2Å; R347-A349 VanDerWaalsContact C-N 3.3Å; R347-A349 PolarHBondContact O-N 3.48Å; R347-R350 WeakPolarHBondContact O-CA 3.3Å; R347-R350 WeakPolarHBondContact O-CB 3.46Å; R347-R350 PolarHBondContact O-N 3.31Å; R347-F351 WeakPolarHBondContact O-CD2 3.19Å; R347-F351 PolarHBondContact O-N 3.46Å
348	A	95.7	Very high	93	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.3	-46.2	178.7	0	0	0	0	0	112.3	W324 L328 V344 F345 R350 F351 L352 I358	W324-A348 HydrophobicContact CD2-CB 3.95Å; W324-A348 HydrophobicContact CE3-CB 3.42Å; W324-A348 VanDerWaalsContact CE3-CB 3.42Å; W324-A348 HydrophobicContact CZ3-CB 3.74Å; L328-A348 HydrophobicContact CD1-CB 3.83Å; L328-A348 HydrophobicContact CD2-CB 4.3Å; L328-A348 HydrophobicContact CG-CB 4.41Å; V344-A348 PolarHBondContact O-N 3.13Å; F345-A348 PolarHBondContact O-N 2.78Å; A348-R350 VanDerWaalsContact C-N 3.27Å; A348-R350 PolarHBondContact O-N 3.37Å; A348-F351 PolarHBondContact O-N 3.39Å; A348-L352 PolarHBondContact O-N 3.48Å; A348-I358 HydrophobicContact CB-CG2 3.86Å
349	A	94.2	Very high	93.3	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-25.3	178.3	0	0	0	0	0	113.6	F345 R346 R347 P353 W359	F345-A349 PolarHBondContact O-N 3.34Å; R346-A349 PolarHBondContact O-N 3.49Å; R347-A349 VanDerWaalsContact C-N 3.3Å; R347-A349 PolarHBondContact O-N 3.48Å; A349-P353 WeakPolarHBondContact O-CA 3.47Å; A349-W359 HydrophobicContact CB-CD2 3.9Å; A349-W359 HydrophobicContact CB-CE3 3.76Å; A349-W359 HydrophobicContact CB-CH2 3.99Å; A349-W359 HydrophobicContact CB-CZ2 4.11Å; A349-W359 HydrophobicContact CB-CZ3 3.81Å; A349-W359 WeakPolarHBondContact O-CZ2 3.16Å
350	R	92.3	Very high	93.5	Very high	54 Å²	54	31.3 Å²	31.3	20%	0.204	15%	0.149	C	C	.	.	H	α-helix	trans	-79.6	-40.7	174.5	-71.3	-174.6	69.5	-170.1	-8.9	112.5	R114 P118 E151 R346 R347 A348 L352 P353	R114-R350 PolarHBondContact O-NH2 3.23Å; P118-R350 VanDerWaalsContact CD-O 3.25Å; P118-R350 WeakPolarHBondContact CD-O 3.47Å; E151-R350 IonicContact OE1-CZ 3.56Å; E151-R350 IonicContact OE1-NH1 3.57Å; E151-R350 PolarHBondContact OE1-NH1 3.07Å; E151-R350 IonicContact OE1-NH2 3.29Å; E151-R350 PolarHBondContact OE1-NH2 3.11Å; E151-R350 IonicContact OE2-NH2 2.71Å; R346-R350 PolarHBondContact O-N 3.13Å; R347-R350 WeakPolarHBondContact O-CA 3.3Å; R347-R350 WeakPolarHBondContact O-CB 3.46Å; R347-R350 PolarHBondContact O-N 3.31Å; A348-R350 VanDerWaalsContact C-N 3.27Å; A348-R350 PolarHBondContact O-N 3.37Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-P353 WeakPolarHBondContact O-CD 3.38Å
351	F	92.1	Very high	93.7	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-70.7	-30.3	177.5	-83.7	-78.8	0	0	0	113	P118 M152 P318 F319 W324 R347 A348 P353	P118-F351 HydrophobicContact CB-CD1 3.97Å; P118-F351 HydrophobicContact CB-CD2 4.3Å; P118-F351 HydrophobicContact CB-CE1 3.48Å; P118-F351 VanDerWaalsContact CB-CE1 3.48Å; P118-F351 HydrophobicContact CB-CE2 3.84Å; P118-F351 HydrophobicContact CB-CG 4.35Å; P118-F351 HydrophobicContact CB-CZ 3.37Å; P118-F351 HydrophobicContact CG-CB 4.46Å; P118-F351 HydrophobicContact CG-CD1 3.33Å; P118-F351 HydrophobicContact CG-CD2 4.18Å; P118-F351 HydrophobicContact CG-CE1 3.34Å; P118-F351 HydrophobicContact CG-CE2 4.18Å; P118-F351 HydrophobicContact CG-CG 3.76Å; P118-F351 HydrophobicContact CG-CZ 3.76Å; M152-F351 HydrophobicContact CG-CZ 3.83Å; M152-F351 HydrophobicContact SD-CE1 4.03Å; M152-F351 HydrophobicContact SD-CE2 3.69Å; M152-F351 HydrophobicContact SD-CZ 3.2Å; M152-F351 WeakPolarHBondContact SD-CZ 3.14Å; P318-F351 HydrophobicContact CB-CD1 3.49Å; P318-F351 VanDerWaalsContact CB-CD1 3.49Å; P318-F351 HydrophobicContact CB-CE1 3.55Å; P318-F351 HydrophobicContact CB-CG 4.45Å; F319-F351 VanDerWaalsContact CD1-O 3.24Å; F319-F351 WeakPolarHBondContact CD1-O 3.38Å; F319-F351 HydrophobicContact CE1-CD1 4.36Å; W324-F351 HydrophobicContact CH2-CD2 4.03Å; W324-F351 HydrophobicContact CZ2-CB 3.88Å; W324-F351 AromaticContact CZ2-CD2 3.54Å; W324-F351 HydrophobicContact CZ2-CD2 3.54Å; W324-F351 HydrophobicContact CZ2-CE2 4.33Å; W324-F351 AromaticContact CZ2-CG 3.79Å; W324-F351 HydrophobicContact CZ2-CG 3.79Å; R347-F351 WeakPolarHBondContact O-CD2 3.19Å; R347-F351 PolarHBondContact O-N 3.46Å; A348-F351 PolarHBondContact O-N 3.39Å; F351-P353 VanDerWaalsContact O-CD 3.29Å; F351-P353 WeakPolarHBondContact O-CD 3.25Å
352	L	91.7	Very high	93.9	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.089	14%	0.14	C	C	.	.	S	Bend	trans	-120.6	64.2	178.8	-64.5	169.5	0	0	0	110.7	F319 K321 W324 A348 R350 T354 D355 I358	F319-L352 WeakPolarHBondContact O-CD2 3.1Å; K321-L352 HydrophobicContact CB-CD1 4.25Å; W324-L352 HydrophobicContact CB-CD1 4.15Å; W324-L352 HydrophobicContact CG-CD1 4.02Å; A348-L352 PolarHBondContact O-N 3.48Å; R350-L352 VanDerWaalsContact C-N 3.34Å; L352-T354 PolarHBondContact O-N 2.88Å; L352-D355 HydrophobicContact CB-CB 4.06Å; L352-D355 PolarHBondContact O-N 3.13Å; L352-D355 VanDerWaalsContact O-N 3.17Å; L352-I358 HydrophobicContact CB-CB 4.47Å; L352-I358 HydrophobicContact CB-CG1 4.21Å; L352-I358 HydrophobicContact CB-CG2 4.38Å; L352-I358 HydrophobicContact CD1-CD1 3.89Å; L352-I358 HydrophobicContact CD1-CG1 3.71Å
353	P	89.2	Confident	94	Very high	13 Å²	13	28.6 Å²	28.6	8%	0.084	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.3	-170.3	29.3	-36	0	0	0	112.9	F85 L117 A349 R350 F351 W359 I386	F85-P353 HydrophobicContact CB-CG 4.44Å; F85-P353 HydrophobicContact CD1-CB 3.7Å; F85-P353 HydrophobicContact CD1-CG 4.07Å; F85-P353 HydrophobicContact CE1-CB 4.05Å; F85-P353 HydrophobicContact CG-CB 4.42Å; L117-P353 HydrophobicContact CD2-CG 3.8Å; A349-P353 WeakPolarHBondContact O-CA 3.47Å; R350-P353 WeakPolarHBondContact O-CD 3.38Å; F351-P353 VanDerWaalsContact O-CD 3.29Å; F351-P353 WeakPolarHBondContact O-CD 3.25Å; P353-W359 PolarHBondContact O-NE1 3.23Å; P353-I386 VanDerWaalsContact O-CD1 3.3Å; P353-I386 WeakPolarHBondContact O-CD1 3.26Å; P353-I386 VanDerWaalsContact O-CG1 3.27Å; P353-I386 WeakPolarHBondContact O-CG1 3.47Å
354	T	88.3	Confident	94	Very high	77 Å²	77	27.4 Å²	27.4	47%	0.472	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.3	179.2	56.4	0	0	0	0	113.7	L352 V356	L352-T354 PolarHBondContact O-N 2.88Å; T354-V356 PolarHBondContact O-N 2.96Å
355	D	92.8	Very high	94	Very high	31 Å²	31	27.6 Å²	27.6	17%	0.166	14%	0.135	C	C	.	.			trans	-91.5	107.9	-175.8	-168.5	-76.1	0	0	0	112.4	K321 L352 E357 I358 W359	K321-D355 WeakPolarHBondContact CD-OD2 3.43Å; K321-D355 WeakPolarHBondContact CE-OD2 3.36Å; K321-D355 IonicContact NZ-OD1 3.2Å; K321-D355 PolarHBondContact NZ-OD1 3.33Å; K321-D355 IonicContact NZ-OD2 2.64Å; K321-D355 PolarHBondContact NZ-OD2 3.43Å; L352-D355 HydrophobicContact CB-CB 4.06Å; L352-D355 PolarHBondContact O-N 3.13Å; L352-D355 VanDerWaalsContact O-N 3.17Å; D355-E357 VanDerWaalsContact C-N 3.32Å; D355-E357 PolarHBondContact O-N 2.83Å; D355-E357 WeakPolarHBondContact OD1-CA 3.49Å; D355-E357 WeakPolarHBondContact OD1-CB 3.36Å; D355-E357 PolarHBondContact OD1-N 3.35Å; D355-I358 HydrophobicContact CB-CB 4.21Å; D355-I358 HydrophobicContact CB-CG1 4.01Å; D355-I358 PolarHBondContact O-N 3.31Å; D355-I358 WeakPolarHBondContact OD1-CG1 3.45Å; D355-I358 PolarHBondContact OD1-N 2.94Å; D355-W359 PolarHBondContact O-N 3.42Å
356	V	93.8	Very high	93.9	Very high	14 Å²	14	27.5 Å²	27.5	9%	0.085	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-35	-175.9	179.8	0	0	0	0	112.6	T354 W359 Q360 L389 E393 L397	T354-V356 PolarHBondContact O-N 2.96Å; V356-W359 PolarHBondContact O-N 3.37Å; V356-Q360 HydrophobicContact CG1-CG 4.33Å; V356-Q360 VanDerWaalsContact O-CG 3.28Å; V356-Q360 WeakPolarHBondContact O-CG 3.49Å; V356-Q360 PolarHBondContact O-N 2.92Å; V356-L389 HydrophobicContact CG2-CD1 3.47Å; V356-L389 VanDerWaalsContact CG2-CD1 3.47Å; V356-E393 HydrophobicContact CB-CB 4.5Å; V356-E393 HydrophobicContact CG1-CB 4.09Å; V356-E393 HydrophobicContact CG1-CG 4.42Å; V356-E393 HydrophobicContact CG2-CB 3.96Å; V356-E393 HydrophobicContact CG2-CG 4.16Å; V356-L397 HydrophobicContact CG1-CD1 4.14Å; V356-L397 HydrophobicContact CG1-CD2 4.14Å; V356-L397 HydrophobicContact CG1-CG 3.97Å
357	E	95.1	Very high	93.9	Very high	94 Å²	94	25.4 Å²	25.4	44%	0.439	13%	0.127	S	C	.	.	H	α-helix	trans	-68.5	-39.8	-178.9	-173.2	-176.7	176	0	0	110.9	K321 L325 D355 Q360 K361	K321-E357 WeakPolarHBondContact CE-OE2 3.38Å; K321-E357 IonicContact NZ-OE2 3.48Å; K321-E357 PolarHBondContact NZ-OE2 3.38Å; L325-E357 HydrophobicContact CD2-CG 4.37Å; D355-E357 VanDerWaalsContact C-N 3.32Å; D355-E357 PolarHBondContact O-N 2.83Å; D355-E357 WeakPolarHBondContact OD1-CA 3.49Å; D355-E357 WeakPolarHBondContact OD1-CB 3.36Å; D355-E357 PolarHBondContact OD1-N 3.35Å; E357-Q360 PolarHBondContact O-N 2.83Å; E357-K361 VanDerWaalsContact O-CB 3.32Å; E357-K361 WeakPolarHBondContact O-CB 3.44Å; E357-K361 PolarHBondContact O-N 2.94Å
358	I	96.1	Very high	93.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-47.3	172.4	-65	-73	0	0	0	110.3	W324 L325 L328 A348 L352 D355 Q360 K361 S362	W324-I358 HydrophobicContact CB-CD1 3.99Å; L325-I358 HydrophobicContact CD2-CD1 3.71Å; L325-I358 HydrophobicContact CG-CD1 3.85Å; L328-I358 HydrophobicContact CD1-CD1 4.49Å; A348-I358 HydrophobicContact CB-CG2 3.86Å; L352-I358 HydrophobicContact CB-CB 4.47Å; L352-I358 HydrophobicContact CB-CG1 4.21Å; L352-I358 HydrophobicContact CB-CG2 4.38Å; L352-I358 HydrophobicContact CD1-CD1 3.89Å; L352-I358 HydrophobicContact CD1-CG1 3.71Å; D355-I358 HydrophobicContact CB-CB 4.21Å; D355-I358 HydrophobicContact CB-CG1 4.01Å; D355-I358 PolarHBondContact O-N 3.31Å; D355-I358 WeakPolarHBondContact OD1-CG1 3.45Å; D355-I358 PolarHBondContact OD1-N 2.94Å; I358-Q360 PolarHBondContact O-N 3.18Å; I358-K361 PolarHBondContact O-N 3.28Å; I358-S362 WeakPolarHBondContact O-CB 3.43Å; I358-S362 PolarHBondContact O-N 2.72Å; I358-S362 PolarHBondContact O-OG 3.06Å; I358-S362 VanDerWaalsContact O-OG 3.11Å
359	W	95.9	Very high	93.6	Very high	8 Å²	8	32.3 Å²	32.3	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-46.3	176.8	-80.4	105.9	0	0	0	113	A349 P353 D355 V356 K361 S362 L363 M379 R382 A383 I386 L397	A349-W359 HydrophobicContact CB-CD2 3.9Å; A349-W359 HydrophobicContact CB-CE3 3.76Å; A349-W359 HydrophobicContact CB-CH2 3.99Å; A349-W359 HydrophobicContact CB-CZ2 4.11Å; A349-W359 HydrophobicContact CB-CZ3 3.81Å; A349-W359 WeakPolarHBondContact O-CZ2 3.16Å; P353-W359 PolarHBondContact O-NE1 3.23Å; D355-W359 PolarHBondContact O-N 3.42Å; V356-W359 PolarHBondContact O-N 3.37Å; W359-K361 VanDerWaalsContact C-N 3.33Å; W359-K361 PolarHBondContact O-N 3.14Å; W359-S362 PolarHBondContact O-N 3.13Å; W359-L363 WeakPolarHBondContact O-CB 3.41Å; W359-L363 WeakPolarHBondContact O-CG 3.48Å; W359-L363 PolarHBondContact O-N 2.98Å; W359-M379 HydrophobicContact CZ3-CB 4.41Å; W359-M379 WeakPolarHBondContact CZ3-O 3.43Å; W359-R382 HydrophobicContact CH2-CB 3.54Å; W359-R382 HydrophobicContact CZ2-CB 4.3Å; W359-R382 HydrophobicContact CZ3-CB 4.11Å; W359-A383 HydrophobicContact CB-CB 4.16Å; W359-A383 HydrophobicContact CD2-CB 3.65Å; W359-A383 HydrophobicContact CE3-CB 3.59Å; W359-A383 HydrophobicContact CG-CB 3.92Å; W359-A383 HydrophobicContact CZ3-CB 4.19Å; W359-I386 HydrophobicContact CG-CD1 4.4Å; W359-L397 HydrophobicContact CB-CD2 4.25Å
360	Q	95.8	Very high	93.4	Very high	45 Å²	45	37.6 Å²	37.6	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-47.5	176.6	-73.6	174.3	-9.9	0	0	111.1	V356 E357 I358 L364 E396 L397 L400	V356-Q360 HydrophobicContact CG1-CG 4.33Å; V356-Q360 VanDerWaalsContact O-CG 3.28Å; V356-Q360 WeakPolarHBondContact O-CG 3.49Å; V356-Q360 PolarHBondContact O-N 2.92Å; E357-Q360 PolarHBondContact O-N 2.83Å; I358-Q360 PolarHBondContact O-N 3.18Å; Q360-L364 WeakPolarHBondContact O-CB 3.42Å; Q360-L364 WeakPolarHBondContact O-CG 3.17Å; Q360-L364 PolarHBondContact O-N 3.36Å; Q360-L364 VanDerWaalsContact O-N 3.07Å; Q360-E396 PolarHBondContact NE2-OE2 3.35Å; Q360-L397 HydrophobicContact CG-CD2 3.83Å; Q360-L400 HydrophobicContact CB-CD1 3.9Å; Q360-L400 HydrophobicContact CG-CD1 3.9Å
361	K	95.4	Very high	93.4	Very high	41 Å²	41	35.7 Å²	35.7	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-41.1	179.5	-167.1	174.8	-166.9	164.3	0	112.3	L325 L328 N329 F345 E357 I358 W359 G365	L325-K361 HydrophobicContact CD2-CD 3.67Å; L325-K361 PolarHBondContact O-NZ 3.18Å; L328-K361 HydrophobicContact CB-CD 3.97Å; L328-K361 HydrophobicContact CD1-CD 3.93Å; L328-K361 HydrophobicContact CD1-CG 4.35Å; N329-K361 PolarHBondContact ND2-NZ 3.15Å; N329-K361 VanDerWaalsContact OD1-CE 3.31Å; N329-K361 WeakPolarHBondContact OD1-CE 3.39Å; N329-K361 PolarHBondContact OD1-NZ 3.1Å; F345-K361 HydrophobicContact CE1-CG 4.19Å; E357-K361 VanDerWaalsContact O-CB 3.32Å; E357-K361 WeakPolarHBondContact O-CB 3.44Å; E357-K361 PolarHBondContact O-N 2.94Å; I358-K361 PolarHBondContact O-N 3.28Å; W359-K361 VanDerWaalsContact C-N 3.33Å; W359-K361 PolarHBondContact O-N 3.14Å; K361-G365 WeakPolarHBondContact O-CA 3.26Å; K361-G365 PolarHBondContact O-N 3.34Å
362	S	96.1	Very high	93.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-40.6	178.7	-68.7	0	0	0	0	112.9	F345 I358 W359 C366	F345-S362 VanDerWaalsContact O-CB 3.27Å; F345-S362 WeakPolarHBondContact O-CB 3.26Å; F345-S362 PolarHBondContact O-OG 3.06Å; I358-S362 WeakPolarHBondContact O-CB 3.43Å; I358-S362 PolarHBondContact O-N 2.72Å; I358-S362 PolarHBondContact O-OG 3.06Å; I358-S362 VanDerWaalsContact O-OG 3.11Å; W359-S362 PolarHBondContact O-N 3.13Å; S362-C366 VanDerWaalsContact O-CB 3.27Å; S362-C366 WeakPolarHBondContact O-CB 3.48Å; S362-C366 PolarHBondContact O-N 2.92Å; S362-C366 PolarHBondContact O-SG 3.14Å; S362-C366 VanDerWaalsContact O-SG 3.35Å
363	L	95.7	Very high	93	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-45.5	174.3	-78	166.3	0	0	0	111.7	W359 E367 M379 A380 L400 Q404	W359-L363 WeakPolarHBondContact O-CB 3.41Å; W359-L363 WeakPolarHBondContact O-CG 3.48Å; W359-L363 PolarHBondContact O-N 2.98Å; L363-E367 WeakPolarHBondContact O-CB 3.26Å; L363-E367 PolarHBondContact O-N 3.47Å; L363-M379 HydrophobicContact CD2-CB 3.6Å; L363-M379 HydrophobicContact CD2-CE 4.49Å; L363-A380 HydrophobicContact CD2-CB 4.21Å; L363-L400 HydrophobicContact CB-CD2 3.82Å; L363-L400 HydrophobicContact CD1-CD2 3.95Å; L363-L400 HydrophobicContact CG-CD2 4.47Å; L363-Q404 PolarHBondContact O-NE2 3.02Å; L363-Q404 VanDerWaalsContact O-NE2 3.15Å
364	L	94.9	Very high	93	Very high	78 Å²	78	45 Å²	45	41%	0.408	23%	0.226	S	C	.	.	H	α-helix	trans	-69.1	-41.4	177.4	-70.1	171.3	0	0	0	112.2	Q360 E367 Y368 L400	Q360-L364 WeakPolarHBondContact O-CB 3.42Å; Q360-L364 WeakPolarHBondContact O-CG 3.17Å; Q360-L364 PolarHBondContact O-N 3.36Å; Q360-L364 VanDerWaalsContact O-N 3.07Å; L364-E367 PolarHBondContact O-N 3.03Å; L364-Y368 WeakPolarHBondContact O-CB 3.37Å; L364-Y368 PolarHBondContact O-N 3.26Å; L364-L400 HydrophobicContact CD1-CD1 4.16Å; L364-L400 HydrophobicContact CD2-CD1 4.44Å; L364-L400 HydrophobicContact CD2-CG 4.38Å; L364-L400 HydrophobicContact CG-CD1 4.01Å; L364-L400 HydrophobicContact CG-CG 4.46Å
365	G	93.7	Very high	93	Very high	6 Å²	6	42.3 Å²	42.3	6%	0.062	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-43.8	177.3	0	0	0	0	0	112.2	K361 Y368 N369	K361-G365 WeakPolarHBondContact O-CA 3.26Å; K361-G365 PolarHBondContact O-N 3.34Å; G365-Y368 PolarHBondContact O-N 2.78Å; G365-N369 WeakPolarHBondContact O-CB 3.23Å; G365-N369 PolarHBondContact O-N 3.03Å; G365-N369 PolarHBondContact O-ND2 3.14Å
366	C	94.7	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-42.8	173.5	-77	0	0	0	0	112.1	S362 N369 N370 A371 L376 M379	S362-C366 VanDerWaalsContact O-CB 3.27Å; S362-C366 WeakPolarHBondContact O-CB 3.48Å; S362-C366 PolarHBondContact O-N 2.92Å; S362-C366 PolarHBondContact O-SG 3.14Å; S362-C366 VanDerWaalsContact O-SG 3.35Å; C366-N369 CarbonylContact O-C 3.43Å; C366-N369 PolarHBondContact O-N 2.86Å; C366-N370 PolarHBondContact O-N 2.98Å; C366-A371 HydrophobicContact CB-CB 3.84Å; C366-A371 WeakPolarHBondContact O-CB 3.4Å; C366-A371 PolarHBondContact O-N 2.95Å; C366-L376 HydrophobicContact CB-CD2 3.73Å; C366-M379 HydrophobicContact CB-SD 4.26Å
367	E	92.9	Very high	92.7	Very high	23 Å²	23	41.8 Å²	41.8	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-44	175.7	-177.1	-170.8	-172.1	0	0	111.8	L363 L364 N369 N370 L376 Q404 R407	L363-E367 WeakPolarHBondContact O-CB 3.26Å; L363-E367 PolarHBondContact O-N 3.47Å; L364-E367 PolarHBondContact O-N 3.03Å; E367-N369 VanDerWaalsContact C-N 3.27Å; E367-N369 PolarHBondContact O-N 2.77Å; E367-N370 PolarHBondContact O-N 3.03Å; E367-N370 VanDerWaalsContact O-N 3.1Å; E367-L376 HydrophobicContact CB-CD1 4.07Å; E367-L376 HydrophobicContact CB-CD2 4.3Å; E367-L376 HydrophobicContact CG-CD1 4.31Å; E367-Q404 WeakPolarHBondContact OE2-CG 3.4Å; E367-R407 IonicContact OE1-CZ 3.71Å; E367-R407 IonicContact OE1-NE 2.82Å; E367-R407 PolarHBondContact OE1-NE 3.5Å; E367-R407 IonicContact OE1-NH2 3.13Å; E367-R407 PolarHBondContact OE1-NH2 2.8Å; E367-R407 IonicContact OE2-CZ 3.88Å; E367-R407 IonicContact OE2-NE 2.98Å; E367-R407 PolarHBondContact OE2-NE 3.32Å; E367-R407 IonicContact OE2-NH2 3.9Å; E367-R407 PolarHBondContact OE2-NH2 3.2Å
368	Y	92.3	Very high	92.3	Very high	153 Å²	153	41.1 Å²	41.1	60%	0.6	21%	0.207	S	C	*	.	H	α-helix	trans	-59.5	-40.4	177.3	-179.6	-98.8	0	0	0	111.5	L364 G365 N370	L364-Y368 WeakPolarHBondContact O-CB 3.37Å; L364-Y368 PolarHBondContact O-N 3.26Å; G365-Y368 PolarHBondContact O-N 2.78Å; Y368-N370 PolarHBondContact O-N 3.43Å
369	N	91.9	Very high	92.2	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.064	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	18.5	177.9	-71.1	-73.7	0	0	0	113.7	P338 Q342 G365 C366 E367 A371	P338-N369 WeakPolarHBondContact CA-OD1 3.04Å; P338-N369 HydrophobicContact CB-CB 3.99Å; Q342-N369 HydrophobicContact CG-CB 3.79Å; Q342-N369 PolarHBondContact NE2-O 3.46Å; G365-N369 WeakPolarHBondContact O-CB 3.23Å; G365-N369 PolarHBondContact O-N 3.03Å; G365-N369 PolarHBondContact O-ND2 3.14Å; C366-N369 CarbonylContact O-C 3.43Å; C366-N369 PolarHBondContact O-N 2.86Å; E367-N369 VanDerWaalsContact C-N 3.27Å; E367-N369 PolarHBondContact O-N 2.77Å; N369-A371 PolarHBondContact O-N 3.25Å
370	N	90.9	Very high	92	Very high	113 Å²	113	40.8 Å²	40.8	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	39.8	175.8	-54.6	-52.5	0	0	0	114.7	C366 E367 Y368 R411	C366-N370 PolarHBondContact O-N 2.98Å; E367-N370 PolarHBondContact O-N 3.03Å; E367-N370 VanDerWaalsContact O-N 3.1Å; Y368-N370 PolarHBondContact O-N 3.43Å; N370-R411 PolarHBondContact OD1-NH1 3.27Å
371	A	91.3	Very high	91.7	Very high	14 Å²	14	42 Å²	42	12%	0.116	22%	0.215	C	C	.	.			trans	-57.2	149.8	167.5	0	0	0	0	0	111.2	Q342 C366 N369 L376	Q342-A371 HydrophobicContact CG-CB 4.44Å; C366-A371 HydrophobicContact CB-CB 3.84Å; C366-A371 WeakPolarHBondContact O-CB 3.4Å; C366-A371 PolarHBondContact O-N 2.95Å; N369-A371 PolarHBondContact O-N 3.25Å; A371-L376 HydrophobicContact CB-CD2 4.21Å; A371-L376 HydrophobicContact CB-CG 4.22Å
372	T	90.3	Very high	91.4	Very high	83 Å²	83	43.5 Å²	43.5	51%	0.509	22%	0.219	S	C	.	.			trans	-63.1	153.1	175.7	64.2	0	0	0	0	110.6	E374 S375 L376	T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 WeakPolarHBondContact CB-OE2 3.36Å; T372-E374 PolarHBondContact O-N 3.3Å; T372-S375 WeakPolarHBondContact O-CB 3.4Å; T372-S375 PolarHBondContact O-N 3.4Å; T372-S375 WeakPolarHBondContact OG1-CB 3.42Å; T372-S375 PolarHBondContact OG1-N 2.9Å; T372-L376 PolarHBondContact O-N 3.38Å; T372-L376 VanDerWaalsContact O-N 3.1Å
373	W	86.9	Confident	91.2	Very high	28 Å²	28	43.5 Å²	43.5	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-38.5	-179.4	175.9	-110.6	0	0	0	112.2	S375 L376 V377 H401 Q404 C405 K408 L428	W373-S375 VanDerWaalsContact C-N 3.27Å; W373-S375 PolarHBondContact O-N 3.24Å; W373-L376 HydrophobicContact CE3-CB 4.49Å; W373-L376 HydrophobicContact CE3-CD1 4.42Å; W373-L376 PolarHBondContact O-N 3Å; W373-L376 VanDerWaalsContact O-N 3.13Å; W373-V377 HydrophobicContact CD2-CG2 3.97Å; W373-V377 HydrophobicContact CG-CG2 4.37Å; W373-V377 HydrophobicContact CH2-CG2 4.11Å; W373-V377 HydrophobicContact CZ2-CG2 3.48Å; W373-V377 VanDerWaalsContact CZ2-CG2 3.48Å; W373-V377 WeakPolarHBondContact O-CG2 3.32Å; W373-V377 PolarHBondContact O-N 3.49Å; W373-H401 AromaticContact CH2-CE1 3.71Å; W373-Q404 HydrophobicContact CZ3-CB 4.13Å; W373-C405 HydrophobicContact CH2-CB 4.2Å; W373-C405 WeakPolarHBondContact CH2-SG 3.42Å; W373-C405 VanDerWaalsContact CZ2-SG 3.54Å; W373-K408 HydrophobicContact CB-CD 4.06Å; W373-K408 HydrophobicContact CD2-CD 3.62Å; W373-K408 HydrophobicContact CE3-CD 3.62Å; W373-K408 HydrophobicContact CG-CD 3.82Å; W373-K408 HydrophobicContact CZ3-CD 4.4Å; W373-L428 HydrophobicContact CZ2-CD2 4.16Å
374	E	88.1	Confident	91	Very high	122 Å²	122	44 Å²	44	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-58.3	-43.5	176.9	-61.1	69.2	-147	0	0	109.9	T372 V377 D378	T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 WeakPolarHBondContact CB-OE2 3.36Å; T372-E374 PolarHBondContact O-N 3.3Å; E374-V377 PolarHBondContact O-N 3.43Å; E374-D378 WeakPolarHBondContact O-CB 3.38Å; E374-D378 PolarHBondContact O-N 3.32Å
375	S	89.5	Confident	90.5	Very high	22 Å²	22	44.5 Å²	44.5	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-38.9	175.5	176.7	0	0	0	0	112.7	R346 T372 W373 M379	R346-S375 PolarHBondContact NE-OG 3.18Å; R346-S375 PolarHBondContact NH2-OG 2.98Å; T372-S375 WeakPolarHBondContact O-CB 3.4Å; T372-S375 PolarHBondContact O-N 3.4Å; T372-S375 WeakPolarHBondContact OG1-CB 3.42Å; T372-S375 PolarHBondContact OG1-N 2.9Å; W373-S375 VanDerWaalsContact C-N 3.27Å; W373-S375 PolarHBondContact O-N 3.24Å; S375-M379 VanDerWaalsContact O-CG 3.28Å; S375-M379 WeakPolarHBondContact O-CG 3.41Å; S375-M379 PolarHBondContact O-N 2.53Å
376	L	90.4	Very high	90.2	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-38.1	179.3	-69.7	172.8	0	0	0	112.1	C366 E367 A371 T372 W373 M379 A380	C366-L376 HydrophobicContact CB-CD2 3.73Å; E367-L376 HydrophobicContact CB-CD1 4.07Å; E367-L376 HydrophobicContact CB-CD2 4.3Å; E367-L376 HydrophobicContact CG-CD1 4.31Å; A371-L376 HydrophobicContact CB-CD2 4.21Å; A371-L376 HydrophobicContact CB-CG 4.22Å; T372-L376 PolarHBondContact O-N 3.38Å; T372-L376 VanDerWaalsContact O-N 3.1Å; W373-L376 HydrophobicContact CE3-CB 4.49Å; W373-L376 HydrophobicContact CE3-CD1 4.42Å; W373-L376 PolarHBondContact O-N 3Å; W373-L376 VanDerWaalsContact O-N 3.13Å; L376-M379 PolarHBondContact O-N 3.04Å; L376-A380 WeakPolarHBondContact O-CB 3.18Å; L376-A380 PolarHBondContact O-N 3.16Å
377	V	88.6	Confident	89.4	Confident	27 Å²	27	50.1 Å²	50.1	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-45.2	175.6	172.4	0	0	0	0	110.7	W373 E374 M379 A380 N381	W373-V377 HydrophobicContact CD2-CG2 3.97Å; W373-V377 HydrophobicContact CG-CG2 4.37Å; W373-V377 HydrophobicContact CH2-CG2 4.11Å; W373-V377 HydrophobicContact CZ2-CG2 3.48Å; W373-V377 VanDerWaalsContact CZ2-CG2 3.48Å; W373-V377 WeakPolarHBondContact O-CG2 3.32Å; W373-V377 PolarHBondContact O-N 3.49Å; E374-V377 PolarHBondContact O-N 3.43Å; V377-M379 VanDerWaalsContact C-N 3.35Å; V377-M379 PolarHBondContact O-N 2.93Å; V377-A380 PolarHBondContact O-N 3.22Å; V377-N381 VanDerWaalsContact O-CG 3.28Å; V377-N381 PolarHBondContact O-N 3.45Å; V377-N381 PolarHBondContact O-ND2 3.41Å
378	D	88.1	Confident	89	Confident	79 Å²	79	53.9 Å²	53.9	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-45.3	175.5	174.2	75.5	0	0	0	112.2	E374 A380 N381 R382	E374-D378 WeakPolarHBondContact O-CB 3.38Å; E374-D378 PolarHBondContact O-N 3.32Å; D378-A380 PolarHBondContact O-N 3.43Å; D378-N381 PolarHBondContact O-N 3.04Å; D378-R382 PolarHBondContact O-N 3.22Å; D378-R382 IonicContact OD2-CZ 3.92Å; D378-R382 VanDerWaalsContact OD2-CZ 3.26Å; D378-R382 IonicContact OD2-NE 3.87Å; D378-R382 PolarHBondContact OD2-NE 2.96Å; D378-R382 VanDerWaalsContact OD2-NE 3.12Å; D378-R382 IonicContact OD2-NH2 3.09Å; D378-R382 PolarHBondContact OD2-NH2 3.43Å
379	M	92.8	Very high	88.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-42.2	175	-73.7	177.8	67.5	0	0	112.3	R346 W359 L363 C366 S375 L376 V377 R382 A383	R346-M379 HydrophobicContact CG-CE 4.15Å; R346-M379 HydrophobicContact CG-SD 3.81Å; W359-M379 HydrophobicContact CZ3-CB 4.41Å; W359-M379 WeakPolarHBondContact CZ3-O 3.43Å; L363-M379 HydrophobicContact CD2-CB 3.6Å; L363-M379 HydrophobicContact CD2-CE 4.49Å; C366-M379 HydrophobicContact CB-SD 4.26Å; S375-M379 VanDerWaalsContact O-CG 3.28Å; S375-M379 WeakPolarHBondContact O-CG 3.41Å; S375-M379 PolarHBondContact O-N 2.53Å; L376-M379 PolarHBondContact O-N 3.04Å; V377-M379 VanDerWaalsContact C-N 3.35Å; V377-M379 PolarHBondContact O-N 2.93Å; M379-R382 PolarHBondContact O-N 2.81Å; M379-A383 PolarHBondContact O-N 2.95Å
380	A	91.2	Very high	88.6	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-41.7	179.9	0	0	0	0	0	111.8	L363 L376 V377 D378 R382 A383 F384 H401	L363-A380 HydrophobicContact CD2-CB 4.21Å; L376-A380 WeakPolarHBondContact O-CB 3.18Å; L376-A380 PolarHBondContact O-N 3.16Å; V377-A380 PolarHBondContact O-N 3.22Å; D378-A380 PolarHBondContact O-N 3.43Å; A380-R382 VanDerWaalsContact C-N 3.3Å; A380-R382 PolarHBondContact O-N 3.4Å; A380-A383 WeakPolarHBondContact O-CB 3.47Å; A380-A383 PolarHBondContact O-N 3.29Å; A380-A383 VanDerWaalsContact O-N 3.12Å; A380-F384 HydrophobicContact CB-CE2 4.13Å; A380-F384 HydrophobicContact CB-CZ 4.34Å; A380-F384 WeakPolarHBondContact O-CD2 3.35Å; A380-F384 VanDerWaalsContact O-CG 3.3Å; A380-F384 WeakPolarHBondContact O-CG 3.48Å; A380-F384 PolarHBondContact O-N 3.41Å; A380-H401 HydrophobicContact CB-CB 4.44Å; A380-H401 WeakPolarHBondContact CB-ND1 3.4Å
381	N	90.3	Very high	88.6	Confident	71 Å²	71	48 Å²	48	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-43.5	176.2	-71.6	-16.2	0	0	0	111.5	V377 D378 A383 F384 E385	V377-N381 VanDerWaalsContact O-CG 3.28Å; V377-N381 PolarHBondContact O-N 3.45Å; V377-N381 PolarHBondContact O-ND2 3.41Å; D378-N381 PolarHBondContact O-N 3.04Å; N381-A383 PolarHBondContact O-N 3.08Å; N381-F384 PolarHBondContact O-N 2.67Å; N381-F384 VanDerWaalsContact O-N 3.16Å; N381-E385 PolarHBondContact O-N 3.08Å
382	R	89.2	Confident	88.6	Confident	72 Å²	72	49.9 Å²	49.9	27%	0.272	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-38.3	175	-71.3	-175	-78.7	160.4	-8.2	112.9	W359 D378 M379 A380 F384 E385	W359-R382 HydrophobicContact CH2-CB 3.54Å; W359-R382 HydrophobicContact CZ2-CB 4.3Å; W359-R382 HydrophobicContact CZ3-CB 4.11Å; D378-R382 PolarHBondContact O-N 3.22Å; D378-R382 IonicContact OD2-CZ 3.92Å; D378-R382 VanDerWaalsContact OD2-CZ 3.26Å; D378-R382 IonicContact OD2-NE 3.87Å; D378-R382 PolarHBondContact OD2-NE 2.96Å; D378-R382 VanDerWaalsContact OD2-NE 3.12Å; D378-R382 IonicContact OD2-NH2 3.09Å; D378-R382 PolarHBondContact OD2-NH2 3.43Å; M379-R382 PolarHBondContact O-N 2.81Å; A380-R382 VanDerWaalsContact C-N 3.3Å; A380-R382 PolarHBondContact O-N 3.4Å; R382-F384 PolarHBondContact O-N 3.43Å; R382-E385 PolarHBondContact O-N 3.15Å
383	A	91.9	Very high	88.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-28.6	175	0	0	0	0	0	112.9	W359 M379 A380 N381 E385 I386 L397	W359-A383 HydrophobicContact CB-CB 4.16Å; W359-A383 HydrophobicContact CD2-CB 3.65Å; W359-A383 HydrophobicContact CE3-CB 3.59Å; W359-A383 HydrophobicContact CG-CB 3.92Å; W359-A383 HydrophobicContact CZ3-CB 4.19Å; M379-A383 PolarHBondContact O-N 2.95Å; A380-A383 WeakPolarHBondContact O-CB 3.47Å; A380-A383 PolarHBondContact O-N 3.29Å; A380-A383 VanDerWaalsContact O-N 3.12Å; N381-A383 PolarHBondContact O-N 3.08Å; A383-E385 VanDerWaalsContact C-N 3.32Å; A383-I386 VanDerWaalsContact O-CD1 3.25Å; A383-I386 WeakPolarHBondContact O-CD1 3.49Å; A383-I386 VanDerWaalsContact O-CG1 3.24Å; A383-I386 WeakPolarHBondContact O-CG1 3.32Å; A383-L397 HydrophobicContact CB-CD1 4.18Å; A383-L397 HydrophobicContact CB-CD2 4.4Å
384	F	90.6	Very high	89	Confident	13 Å²	13	46.5 Å²	46.5	6%	0.057	23%	0.234	C	C	.	.	H	α-helix	trans	-77.2	-16.9	176.4	-57.8	-41.3	0	0	0	113.2	A380 N381 R382 I386 L397 W398 H401 W444	A380-F384 HydrophobicContact CB-CE2 4.13Å; A380-F384 HydrophobicContact CB-CZ 4.34Å; A380-F384 WeakPolarHBondContact O-CD2 3.35Å; A380-F384 VanDerWaalsContact O-CG 3.3Å; A380-F384 WeakPolarHBondContact O-CG 3.48Å; A380-F384 PolarHBondContact O-N 3.41Å; N381-F384 PolarHBondContact O-N 2.67Å; N381-F384 VanDerWaalsContact O-N 3.16Å; R382-F384 PolarHBondContact O-N 3.43Å; F384-I386 PolarHBondContact O-N 3.49Å; F384-L397 HydrophobicContact CD1-CB 4.21Å; F384-L397 HydrophobicContact CE1-CB 3.75Å; F384-W398 AromaticContact CD1-NE1 3.76Å; F384-W398 HydrophobicContact CD2-CH2 4.47Å; F384-W398 AromaticContact CD2-CZ2 3.98Å; F384-W398 HydrophobicContact CD2-CZ2 3.98Å; F384-W398 HydrophobicContact CE1-CB 4.47Å; F384-W398 AromaticContact CE1-CD1 3.74Å; F384-W398 AromaticContact CE1-CD2 3.93Å; F384-W398 HydrophobicContact CE1-CD2 3.93Å; F384-W398 AromaticContact CE1-CE2 3.92Å; F384-W398 AromaticContact CE1-CG 3.83Å; F384-W398 HydrophobicContact CE1-CG 3.83Å; F384-W398 AromaticContact CE1-NE1 3.77Å; F384-W398 HydrophobicContact CE2-CD2 4.21Å; F384-W398 AromaticContact CE2-CE2 3.97Å; F384-W398 HydrophobicContact CE2-CE3 4.34Å; F384-W398 HydrophobicContact CE2-CH2 4.06Å; F384-W398 AromaticContact CE2-CZ2 3.9Å; F384-W398 HydrophobicContact CE2-CZ2 3.9Å; F384-W398 HydrophobicContact CE2-CZ3 4.28Å; F384-W398 HydrophobicContact CG-CZ2 4.42Å; F384-W398 AromaticContact CZ-CD2 3.72Å; F384-W398 HydrophobicContact CZ-CD2 3.72Å; F384-W398 AromaticContact CZ-CE2 3.84Å; F384-W398 HydrophobicContact CZ-CE3 4.01Å; F384-W398 HydrophobicContact CZ-CG 4.07Å; F384-W398 HydrophobicContact CZ-CZ2 4.24Å; F384-W398 HydrophobicContact CZ-CZ3 4.4Å; F384-H401 HydrophobicContact CZ-CB 4.13Å; F384-W444 HydrophobicContact CB-CH2 4.48Å; F384-W444 HydrophobicContact CB-CZ2 3.97Å; F384-W444 WeakPolarHBondContact O-CZ2 3.26Å
385	E	85.9	Confident	89.3	Confident	88 Å²	88	40.9 Å²	40.9	41%	0.411	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.4	179.6	-68.6	175.4	178.7	0	0	113.5	F85 R116 N381 R382 A383 E387	F85-E385 HydrophobicContact CE2-CB 4.46Å; F85-E385 WeakPolarHBondContact CE2-O 2.94Å; F85-E385 HydrophobicContact CZ-CB 4.4Å; R116-E385 IonicContact CZ-OE2 3.29Å; R116-E385 IonicContact NH1-OE2 2.8Å; R116-E385 PolarHBondContact NH1-OE2 3.45Å; R116-E385 IonicContact NH2-OE2 3.18Å; N381-E385 PolarHBondContact O-N 3.08Å; R382-E385 PolarHBondContact O-N 3.15Å; A383-E385 VanDerWaalsContact C-N 3.32Å; E385-E387 PolarHBondContact O-N 2.99Å
386	I	87	Confident	89.5	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.041	22%	0.217	C	C	.	.			trans	-66.5	115.2	178.2	-58.4	172.2	0	0	0	110	P353 W359 A383 F384 T388 L389	P353-I386 VanDerWaalsContact O-CD1 3.3Å; P353-I386 WeakPolarHBondContact O-CD1 3.26Å; P353-I386 VanDerWaalsContact O-CG1 3.27Å; P353-I386 WeakPolarHBondContact O-CG1 3.47Å; W359-I386 HydrophobicContact CG-CD1 4.4Å; A383-I386 VanDerWaalsContact O-CD1 3.25Å; A383-I386 WeakPolarHBondContact O-CD1 3.49Å; A383-I386 VanDerWaalsContact O-CG1 3.24Å; A383-I386 WeakPolarHBondContact O-CG1 3.32Å; F384-I386 PolarHBondContact O-N 3.49Å; I386-T388 PolarHBondContact O-N 2.82Å; I386-L389 HydrophobicContact CB-CB 4.23Å; I386-L389 HydrophobicContact CG2-CB 4.24Å; I386-L389 VanDerWaalsContact O-CB 3.22Å; I386-L389 WeakPolarHBondContact O-CB 3.37Å; I386-L389 PolarHBondContact O-N 2.63Å
387	E	78.4	Confident	89.6	Confident	115 Å²	115	42.9 Å²	42.9	54%	0.537	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.7	-175.1	-62.2	-177.5	154.6	0	0	113.5	P84 E385 L389	P84-E387 WeakPolarHBondContact CD-OE1 3.34Å; E385-E387 PolarHBondContact O-N 2.99Å; E387-L389 PolarHBondContact O-N 3.24Å
388	T	83.2	Confident	89.9	Confident	102 Å²	102	41.8 Å²	41.8	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	8.9	-178.4	57	0	0	0	0	113.5	I386 K390	I386-T388 PolarHBondContact O-N 2.82Å; T388-K390 PolarHBondContact O-N 3.48Å
389	L	86.8	Confident	90.1	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.058	19%	0.189	C	C	.	.			trans	-65.5	122	-173	-166.8	67	0	0	0	110.8	V356 I386 E387 E393 A394 L397 W444 F449	V356-L389 HydrophobicContact CG2-CD1 3.47Å; V356-L389 VanDerWaalsContact CG2-CD1 3.47Å; I386-L389 HydrophobicContact CB-CB 4.23Å; I386-L389 HydrophobicContact CG2-CB 4.24Å; I386-L389 VanDerWaalsContact O-CB 3.22Å; I386-L389 WeakPolarHBondContact O-CB 3.37Å; I386-L389 PolarHBondContact O-N 2.63Å; E387-L389 PolarHBondContact O-N 3.24Å; L389-E393 HydrophobicContact CD1-CB 3.6Å; L389-E393 HydrophobicContact CG-CB 4.25Å; L389-A394 HydrophobicContact CD2-CB 3.45Å; L389-A394 VanDerWaalsContact CD2-CB 3.45Å; L389-A394 HydrophobicContact CG-CB 3.82Å; L389-L397 HydrophobicContact CD1-CD1 3.88Å; L389-L397 HydrophobicContact CD2-CD1 4.25Å; L389-W444 HydrophobicContact CD2-CH2 4.19Å; L389-F449 VanDerWaalsContact O-CE1 3.26Å; L389-F449 WeakPolarHBondContact O-CE1 3.46Å; L389-F449 WeakPolarHBondContact O-CZ 3.41Å
390	K	89.9	Confident	90.1	Very high	127 Å²	127	39.1 Å²	39.1	55%	0.552	19%	0.194	S	C	*	.			trans	-72.3	154.7	172.2	-60.1	179.8	-158.9	118.2	0	109.8	T388 T392 E393 A394	T388-K390 PolarHBondContact O-N 3.48Å; K390-T392 PolarHBondContact O-N 3.37Å; K390-E393 HydrophobicContact CB-CB 4.4Å; K390-E393 HydrophobicContact CB-CG 4.17Å; K390-E393 WeakPolarHBondContact CB-OE2 3.29Å; K390-E393 WeakPolarHBondContact CD-OE1 3.27Å; K390-E393 PolarHBondContact N-OE2 2.92Å; K390-E393 IonicContact NZ-OE1 3.95Å; K390-E393 PolarHBondContact NZ-OE1 2.99Å; K390-E393 WeakPolarHBondContact O-CB 3.49Å; K390-E393 PolarHBondContact O-N 3.49Å; K390-E393 VanDerWaalsContact O-N 3.14Å; K390-A394 PolarHBondContact O-N 2.9Å
391	C	90.1	Very high	90.1	Very high	17 Å²	17	39 Å²	39	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-38.2	178.4	-175.9	0	0	0	0	112.9	V395 F449 Y453 W454	C391-V395 VanDerWaalsContact O-CG2 3.27Å; C391-V395 WeakPolarHBondContact O-CG2 3.46Å; C391-V395 PolarHBondContact O-N 2.82Å; C391-F449 HydrophobicContact CB-CB 4.42Å; C391-F449 HydrophobicContact CB-CD1 3.7Å; C391-F449 HydrophobicContact CB-CD2 4.25Å; C391-F449 HydrophobicContact CB-CE1 3.98Å; C391-F449 HydrophobicContact CB-CG 3.85Å; C391-F449 HydrophobicContact CB-CZ 4.39Å; C391-Y453 PolarHBondContact SG-O 3.34Å; C391-W454 VanDerWaalsContact SG-CA 3.56Å; C391-W454 PolarHBondContact SG-O 3.38Å
392	T	91.3	Very high	89.9	Confident	54 Å²	54	36 Å²	36	33%	0.331	18%	0.177	S	C	.	.	H	α-helix	trans	-64.9	-48.5	177.2	47.3	0	0	0	0	111.5	K390 A394 V395 E396	K390-T392 PolarHBondContact O-N 3.37Å; T392-A394 VanDerWaalsContact C-N 3.32Å; T392-A394 PolarHBondContact O-N 3.35Å; T392-V395 WeakPolarHBondContact O-CB 3.39Å; T392-V395 PolarHBondContact O-N 2.86Å; T392-E396 WeakPolarHBondContact O-CG 3.41Å; T392-E396 PolarHBondContact O-N 3.4Å
393	E	93.2	Very high	89.9	Confident	39 Å²	39	36 Å²	36	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-40.3	177.3	-68	161.6	-175	0	0	111.7	V356 L389 K390 E396 L397	V356-E393 HydrophobicContact CB-CB 4.5Å; V356-E393 HydrophobicContact CG1-CB 4.09Å; V356-E393 HydrophobicContact CG1-CG 4.42Å; V356-E393 HydrophobicContact CG2-CB 3.96Å; V356-E393 HydrophobicContact CG2-CG 4.16Å; L389-E393 HydrophobicContact CD1-CB 3.6Å; L389-E393 HydrophobicContact CG-CB 4.25Å; K390-E393 HydrophobicContact CB-CB 4.4Å; K390-E393 HydrophobicContact CB-CG 4.17Å; K390-E393 WeakPolarHBondContact CB-OE2 3.29Å; K390-E393 WeakPolarHBondContact CD-OE1 3.27Å; K390-E393 PolarHBondContact N-OE2 2.92Å; K390-E393 IonicContact NZ-OE1 3.95Å; K390-E393 PolarHBondContact NZ-OE1 2.99Å; K390-E393 WeakPolarHBondContact O-CB 3.49Å; K390-E393 PolarHBondContact O-N 3.49Å; K390-E393 VanDerWaalsContact O-N 3.14Å; E393-E396 WeakPolarHBondContact O-CB 3.47Å; E393-E396 PolarHBondContact O-N 3.36Å; E393-L397 PolarHBondContact O-N 3.35Å
394	A	93.2	Very high	89.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-43	174.9	0	0	0	0	0	112.9	L389 K390 T392 E396 L397 W398 W444 L445 F449	L389-A394 HydrophobicContact CD2-CB 3.45Å; L389-A394 VanDerWaalsContact CD2-CB 3.45Å; L389-A394 HydrophobicContact CG-CB 3.82Å; K390-A394 PolarHBondContact O-N 2.9Å; T392-A394 VanDerWaalsContact C-N 3.32Å; T392-A394 PolarHBondContact O-N 3.35Å; A394-E396 VanDerWaalsContact C-N 3.29Å; A394-E396 PolarHBondContact O-N 2.87Å; A394-L397 PolarHBondContact O-N 2.84Å; A394-W398 PolarHBondContact O-N 3.08Å; A394-W444 HydrophobicContact CB-CZ3 4.07Å; A394-L445 HydrophobicContact CB-CD2 3.6Å; A394-F449 HydrophobicContact CB-CD2 4.49Å; A394-F449 HydrophobicContact CB-CE2 3.39Å; A394-F449 HydrophobicContact CB-CZ 3.7Å
395	V	93.1	Very high	89.2	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-41.3	175.2	167.7	0	0	0	0	110.2	C391 T392 L399 L445 W459 Y460	C391-V395 VanDerWaalsContact O-CG2 3.27Å; C391-V395 WeakPolarHBondContact O-CG2 3.46Å; C391-V395 PolarHBondContact O-N 2.82Å; T392-V395 WeakPolarHBondContact O-CB 3.39Å; T392-V395 PolarHBondContact O-N 2.86Å; V395-L399 HydrophobicContact CG1-CD1 3.82Å; V395-L399 HydrophobicContact CG1-CG 4.33Å; V395-L399 WeakPolarHBondContact O-CB 3.47Å; V395-L399 VanDerWaalsContact O-CG 3.25Å; V395-L399 WeakPolarHBondContact O-CG 3.22Å; V395-L399 PolarHBondContact O-N 3.38Å; V395-L445 HydrophobicContact CG2-CD1 3.96Å; V395-L445 HydrophobicContact CG2-CD2 4.08Å; V395-W459 HydrophobicContact CB-CE3 4.4Å; V395-W459 HydrophobicContact CG1-CD2 4.2Å; V395-W459 HydrophobicContact CG1-CE3 3.34Å; V395-W459 HydrophobicContact CG1-CZ3 3.69Å; V395-Y460 HydrophobicContact CG1-CD2 4.14Å
396	E	93.5	Very high	88.9	Confident	70 Å²	70	36.5 Å²	36.5	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-49.2	176.6	-67.9	176.7	-180	0	0	112.5	Q360 T392 E393 A394 L399 L400 W459	Q360-E396 PolarHBondContact NE2-OE2 3.35Å; T392-E396 WeakPolarHBondContact O-CG 3.41Å; T392-E396 PolarHBondContact O-N 3.4Å; E393-E396 WeakPolarHBondContact O-CB 3.47Å; E393-E396 PolarHBondContact O-N 3.36Å; A394-E396 VanDerWaalsContact C-N 3.29Å; A394-E396 PolarHBondContact O-N 2.87Å; E396-L399 PolarHBondContact O-N 3.46Å; E396-L400 WeakPolarHBondContact O-CB 3.34Å; E396-L400 PolarHBondContact O-N 3.06Å; E396-W459 HydrophobicContact CB-CH2 4.37Å; E396-W459 HydrophobicContact CB-CZ3 4.24Å; E396-W459 HydrophobicContact CG-CH2 3.73Å; E396-W459 HydrophobicContact CG-CZ3 3.43Å; E396-W459 VanDerWaalsContact CG-CZ3 3.43Å
397	L	94	Very high	88.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-43.8	179.2	-72.1	174.3	0	0	0	112	V356 W359 Q360 A383 F384 L389 E393 A394 L400 H401	V356-L397 HydrophobicContact CG1-CD1 4.14Å; V356-L397 HydrophobicContact CG1-CD2 4.14Å; V356-L397 HydrophobicContact CG1-CG 3.97Å; W359-L397 HydrophobicContact CB-CD2 4.25Å; Q360-L397 HydrophobicContact CG-CD2 3.83Å; A383-L397 HydrophobicContact CB-CD1 4.18Å; A383-L397 HydrophobicContact CB-CD2 4.4Å; F384-L397 HydrophobicContact CD1-CB 4.21Å; F384-L397 HydrophobicContact CE1-CB 3.75Å; L389-L397 HydrophobicContact CD1-CD1 3.88Å; L389-L397 HydrophobicContact CD2-CD1 4.25Å; E393-L397 PolarHBondContact O-N 3.35Å; A394-L397 PolarHBondContact O-N 2.84Å; L397-L400 WeakPolarHBondContact O-CB 3.36Å; L397-L400 PolarHBondContact O-N 2.86Å; L397-H401 PolarHBondContact O-N 3.24Å
398	W	93.7	Very high	88.7	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-44.6	177.1	-89	102.1	0	0	0	111.9	F384 A394 L400 H401 V402 E440 G441 W444 Y460	F384-W398 AromaticContact CD1-NE1 3.76Å; F384-W398 HydrophobicContact CD2-CH2 4.47Å; F384-W398 AromaticContact CD2-CZ2 3.98Å; F384-W398 HydrophobicContact CD2-CZ2 3.98Å; F384-W398 HydrophobicContact CE1-CB 4.47Å; F384-W398 AromaticContact CE1-CD1 3.74Å; F384-W398 AromaticContact CE1-CD2 3.93Å; F384-W398 HydrophobicContact CE1-CD2 3.93Å; F384-W398 AromaticContact CE1-CE2 3.92Å; F384-W398 AromaticContact CE1-CG 3.83Å; F384-W398 HydrophobicContact CE1-CG 3.83Å; F384-W398 AromaticContact CE1-NE1 3.77Å; F384-W398 HydrophobicContact CE2-CD2 4.21Å; F384-W398 AromaticContact CE2-CE2 3.97Å; F384-W398 HydrophobicContact CE2-CE3 4.34Å; F384-W398 HydrophobicContact CE2-CH2 4.06Å; F384-W398 AromaticContact CE2-CZ2 3.9Å; F384-W398 HydrophobicContact CE2-CZ2 3.9Å; F384-W398 HydrophobicContact CE2-CZ3 4.28Å; F384-W398 HydrophobicContact CG-CZ2 4.42Å; F384-W398 AromaticContact CZ-CD2 3.72Å; F384-W398 HydrophobicContact CZ-CD2 3.72Å; F384-W398 AromaticContact CZ-CE2 3.84Å; F384-W398 HydrophobicContact CZ-CE3 4.01Å; F384-W398 HydrophobicContact CZ-CG 4.07Å; F384-W398 HydrophobicContact CZ-CZ2 4.24Å; F384-W398 HydrophobicContact CZ-CZ3 4.4Å; A394-W398 PolarHBondContact O-N 3.08Å; W398-L400 VanDerWaalsContact C-N 3.33Å; W398-L400 PolarHBondContact O-N 2.92Å; W398-H401 PolarHBondContact O-N 3.42Å; W398-V402 WeakPolarHBondContact O-CB 3.46Å; W398-V402 VanDerWaalsContact O-CG2 3.24Å; W398-V402 WeakPolarHBondContact O-CG2 3.21Å; W398-V402 PolarHBondContact O-N 3.17Å; W398-E440 HydrophobicContact CH2-CG 3.99Å; W398-E440 HydrophobicContact CZ3-CG 4.31Å; W398-G441 VanDerWaalsContact CD2-CA 3.43Å; W398-G441 VanDerWaalsContact CZ3-CA 3.47Å; W398-W444 AromaticContact CD1-CE3 3.81Å; W398-W444 AromaticContact CE2-CD2 3.98Å; W398-W444 AromaticContact CE2-CG 3.99Å; W398-W444 HydrophobicContact CH2-CB 4.41Å; W398-W444 HydrophobicContact CZ2-CB 3.57Å; W398-W444 AromaticContact CZ2-CD2 3.99Å; W398-W444 HydrophobicContact CZ2-CD2 3.99Å; W398-W444 HydrophobicContact CZ2-CE3 4.48Å; W398-W444 AromaticContact CZ2-CG 3.57Å; W398-W444 HydrophobicContact CZ2-CG 3.57Å; W398-W444 AromaticContact NE1-CD2 3.39Å; W398-W444 AromaticContact NE1-CE3 3.03Å; W398-W444 AromaticContact NE1-CG 3.88Å; W398-W444 AromaticContact NE1-CZ3 3.65Å; W398-Y460 HydrophobicContact CB-CE2 3.88Å
399	L	92.6	Very high	87.8	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-40.6	176.7	-74	176.5	0	0	0	111.6	V395 E396 H401 V402 Y403 F438 W459 Y460 C463	V395-L399 HydrophobicContact CG1-CD1 3.82Å; V395-L399 HydrophobicContact CG1-CG 4.33Å; V395-L399 WeakPolarHBondContact O-CB 3.47Å; V395-L399 VanDerWaalsContact O-CG 3.25Å; V395-L399 WeakPolarHBondContact O-CG 3.22Å; V395-L399 PolarHBondContact O-N 3.38Å; E396-L399 PolarHBondContact O-N 3.46Å; L399-H401 VanDerWaalsContact C-N 3.34Å; L399-H401 PolarHBondContact O-N 2.96Å; L399-V402 PolarHBondContact O-N 3.3Å; L399-Y403 HydrophobicContact CB-CD2 4.47Å; L399-Y403 HydrophobicContact CB-CE2 4.25Å; L399-Y403 WeakPolarHBondContact O-CD2 3.42Å; L399-Y403 PolarHBondContact O-N 3.09Å; L399-F438 HydrophobicContact CD2-CD1 4.39Å; L399-F438 HydrophobicContact CD2-CE1 3.59Å; L399-F438 HydrophobicContact CD2-CZ 4.42Å; L399-W459 HydrophobicContact CD1-CD2 3.64Å; L399-W459 VanDerWaalsContact CD1-CE2 3.48Å; L399-W459 HydrophobicContact CD1-CE3 3.76Å; L399-W459 HydrophobicContact CD1-CG 4.38Å; L399-W459 HydrophobicContact CD1-CH2 3.57Å; L399-W459 HydrophobicContact CD1-CZ2 3.46Å; L399-W459 VanDerWaalsContact CD1-CZ2 3.46Å; L399-W459 HydrophobicContact CD1-CZ3 3.7Å; L399-Y460 HydrophobicContact CD2-CD2 3.78Å; L399-Y460 HydrophobicContact CD2-CE2 4.04Å; L399-Y460 HydrophobicContact CD2-CG 4.45Å; L399-Y460 HydrophobicContact CG-CD2 3.84Å; L399-Y460 HydrophobicContact CG-CE2 4.26Å; L399-C463 HydrophobicContact CD1-CB 4.4Å; L399-C463 HydrophobicContact CD2-CB 3.67Å
400	L	93.9	Very high	86.9	Confident	21 Å²	21	40.9 Å²	40.9	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-51.5	173.5	-177.3	157.1	0	0	0	110.3	Q360 L363 L364 E396 L397 W398 V402 Y403 Q404	Q360-L400 HydrophobicContact CB-CD1 3.9Å; Q360-L400 HydrophobicContact CG-CD1 3.9Å; L363-L400 HydrophobicContact CB-CD2 3.82Å; L363-L400 HydrophobicContact CD1-CD2 3.95Å; L363-L400 HydrophobicContact CG-CD2 4.47Å; L364-L400 HydrophobicContact CD1-CD1 4.16Å; L364-L400 HydrophobicContact CD2-CD1 4.44Å; L364-L400 HydrophobicContact CD2-CG 4.38Å; L364-L400 HydrophobicContact CG-CD1 4.01Å; L364-L400 HydrophobicContact CG-CG 4.46Å; E396-L400 WeakPolarHBondContact O-CB 3.34Å; E396-L400 PolarHBondContact O-N 3.06Å; L397-L400 WeakPolarHBondContact O-CB 3.36Å; L397-L400 PolarHBondContact O-N 2.86Å; W398-L400 VanDerWaalsContact C-N 3.33Å; W398-L400 PolarHBondContact O-N 2.92Å; L400-V402 PolarHBondContact O-N 3.42Å; L400-Y403 PolarHBondContact O-N 3.43Å; L400-Y403 VanDerWaalsContact O-N 3.16Å; L400-Q404 HydrophobicContact CD2-CG 4.09Å; L400-Q404 WeakPolarHBondContact O-CG 3.48Å; L400-Q404 PolarHBondContact O-N 2.94Å
401	H	90.7	Very high	85.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-39.4	-178.9	-165.7	56.4	0	0	0	113	W373 A380 F384 L397 W398 L399 Y403 Q404 C405 R437	W373-H401 AromaticContact CH2-CE1 3.71Å; A380-H401 HydrophobicContact CB-CB 4.44Å; A380-H401 WeakPolarHBondContact CB-ND1 3.4Å; F384-H401 HydrophobicContact CZ-CB 4.13Å; L397-H401 PolarHBondContact O-N 3.24Å; W398-H401 PolarHBondContact O-N 3.42Å; L399-H401 VanDerWaalsContact C-N 3.34Å; L399-H401 PolarHBondContact O-N 2.96Å; H401-Y403 VanDerWaalsContact C-N 3.3Å; H401-Y403 PolarHBondContact O-N 3.45Å; H401-Q404 PolarHBondContact ND1-OE1 3.35Å; H401-Q404 VanDerWaalsContact ND1-OE1 3.09Å; H401-Q404 WeakPolarHBondContact O-CB 3.24Å; H401-Q404 PolarHBondContact O-N 3.23Å; H401-C405 PolarHBondContact O-N 3.01Å; H401-C405 PolarHBondContact O-SG 3.39Å; H401-R437 PolarHBondContact CD2-NH1 3.46Å; H401-R437 PolarHBondContact NE2-NH1 3.13Å
402	V	86.8	Confident	83.9	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-41.8	172.3	169.4	0	0	0	0	111.2	W398 L399 L400 C405 R406 R437 F438	W398-V402 WeakPolarHBondContact O-CB 3.46Å; W398-V402 VanDerWaalsContact O-CG2 3.24Å; W398-V402 WeakPolarHBondContact O-CG2 3.21Å; W398-V402 PolarHBondContact O-N 3.17Å; L399-V402 PolarHBondContact O-N 3.3Å; L400-V402 PolarHBondContact O-N 3.42Å; V402-C405 WeakPolarHBondContact O-CB 3.49Å; V402-C405 PolarHBondContact O-N 3.36Å; V402-R406 PolarHBondContact O-N 3Å; V402-R437 HydrophobicContact CG2-CB 4.04Å; V402-F438 HydrophobicContact CG1-CD1 4.25Å; V402-F438 HydrophobicContact CG1-CD2 3.84Å; V402-F438 HydrophobicContact CG1-CE1 3.94Å; V402-F438 HydrophobicContact CG1-CE2 3.47Å; V402-F438 VanDerWaalsContact CG1-CE2 3.47Å; V402-F438 HydrophobicContact CG1-CG 4.22Å; V402-F438 HydrophobicContact CG1-CZ 3.53Å
403	Y	88.4	Confident	81.6	Confident	73 Å²	73	46.9 Å²	46.9	29%	0.286	24%	0.24	S	C	.	.	H	α-helix	trans	-71	-30	176.8	-70.5	-54	0	0	0	113.2	L399 L400 H401 R406 R407	L399-Y403 HydrophobicContact CB-CD2 4.47Å; L399-Y403 HydrophobicContact CB-CE2 4.25Å; L399-Y403 WeakPolarHBondContact O-CD2 3.42Å; L399-Y403 PolarHBondContact O-N 3.09Å; L400-Y403 PolarHBondContact O-N 3.43Å; L400-Y403 VanDerWaalsContact O-N 3.16Å; H401-Y403 VanDerWaalsContact C-N 3.3Å; H401-Y403 PolarHBondContact O-N 3.45Å; Y403-R406 PolarHBondContact O-N 2.88Å; Y403-R407 WeakPolarHBondContact O-CG 3.49Å; Y403-R407 PolarHBondContact O-N 3.27Å
404	Q	87.2	Confident	78.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-47.5	169.3	-67.6	-176.2	-47.4	0	0	111.2	L363 E367 W373 L400 H401 R406 R407 K408	L363-Q404 PolarHBondContact O-NE2 3.02Å; L363-Q404 VanDerWaalsContact O-NE2 3.15Å; E367-Q404 WeakPolarHBondContact OE2-CG 3.4Å; W373-Q404 HydrophobicContact CZ3-CB 4.13Å; L400-Q404 HydrophobicContact CD2-CG 4.09Å; L400-Q404 WeakPolarHBondContact O-CG 3.48Å; L400-Q404 PolarHBondContact O-N 2.94Å; H401-Q404 PolarHBondContact ND1-OE1 3.35Å; H401-Q404 VanDerWaalsContact ND1-OE1 3.09Å; H401-Q404 WeakPolarHBondContact O-CB 3.24Å; H401-Q404 PolarHBondContact O-N 3.23Å; Q404-R406 VanDerWaalsContact C-N 3.31Å; Q404-R406 PolarHBondContact O-N 3.41Å; Q404-R407 PolarHBondContact O-N 3.5Å; Q404-K408 PolarHBondContact O-N 2.89Å
405	C	81	Confident	76	Confident	13 Å²	13	53.6 Å²	53.6	9%	0.088	29%	0.29	C	S	.	.	H	α-helix	trans	-54.3	-49.5	173.8	-65.5	0	0	0	0	111.1	W373 H401 V402 R407 K408 C409 R437	W373-C405 HydrophobicContact CH2-CB 4.2Å; W373-C405 WeakPolarHBondContact CH2-SG 3.42Å; W373-C405 VanDerWaalsContact CZ2-SG 3.54Å; H401-C405 PolarHBondContact O-N 3.01Å; H401-C405 PolarHBondContact O-SG 3.39Å; V402-C405 WeakPolarHBondContact O-CB 3.49Å; V402-C405 PolarHBondContact O-N 3.36Å; C405-R407 PolarHBondContact O-N 2.76Å; C405-K408 PolarHBondContact O-N 3.05Å; C405-C409 PolarHBondContact O-N 3.09Å; C405-C409 VanDerWaalsContact O-N 3.07Å; C405-C409 PolarHBondContact O-SG 2.98Å; C405-R437 WeakPolarHBondContact SG-CD 3.14Å; C405-R437 PolarHBondContact SG-NE 3.07Å
406	R	79.3	Confident	73.3	Confident	97 Å²	97	58.5 Å²	58.5	37%	0.366	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-46.4	179.7	-178.8	-178.8	172.5	-132.9	0.2	111.8	V402 Y403 Q404 C409 V410 Y467 E471	V402-R406 PolarHBondContact O-N 3Å; Y403-R406 PolarHBondContact O-N 2.88Å; Q404-R406 VanDerWaalsContact C-N 3.31Å; Q404-R406 PolarHBondContact O-N 3.41Å; R406-C409 PolarHBondContact O-N 3.39Å; R406-V410 WeakPolarHBondContact O-CG2 3.44Å; R406-V410 PolarHBondContact O-N 3.15Å; R406-Y467 HydrophobicContact CG-CE2 4.22Å; R406-E471 IonicContact CZ-OE1 3.43Å; R406-E471 IonicContact NE-OE1 3.51Å; R406-E471 IonicContact NH2-OE1 2.71Å; R406-E471 PolarHBondContact NH2-OE1 2.93Å
407	R	84.2	Confident	70.9	Confident	93 Å²	93	64.4 Å²	64.4	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-39.2	179.3	-76.1	-172.9	-65.6	-93.4	3.1	112.3	E367 Y403 Q404 C405 V410 R411	E367-R407 IonicContact OE1-CZ 3.71Å; E367-R407 IonicContact OE1-NE 2.82Å; E367-R407 PolarHBondContact OE1-NE 3.5Å; E367-R407 IonicContact OE1-NH2 3.13Å; E367-R407 PolarHBondContact OE1-NH2 2.8Å; E367-R407 IonicContact OE2-CZ 3.88Å; E367-R407 IonicContact OE2-NE 2.98Å; E367-R407 PolarHBondContact OE2-NE 3.32Å; E367-R407 IonicContact OE2-NH2 3.9Å; E367-R407 PolarHBondContact OE2-NH2 3.2Å; Y403-R407 WeakPolarHBondContact O-CG 3.49Å; Y403-R407 PolarHBondContact O-N 3.27Å; Q404-R407 PolarHBondContact O-N 3.5Å; C405-R407 PolarHBondContact O-N 2.76Å; R407-V410 PolarHBondContact O-N 3.38Å; R407-R411 PolarHBondContact O-N 3.01Å
408	K	75.9	Confident	68	Low	44 Å²	44	71 Å²	71	19%	0.191	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-45.8	174.6	-171.8	-176.7	-179.7	-164.1	0	111.5	W373 Q404 C405 V410 R411	W373-K408 HydrophobicContact CB-CD 4.06Å; W373-K408 HydrophobicContact CD2-CD 3.62Å; W373-K408 HydrophobicContact CE3-CD 3.62Å; W373-K408 HydrophobicContact CG-CD 3.82Å; W373-K408 HydrophobicContact CZ3-CD 4.4Å; Q404-K408 PolarHBondContact O-N 2.89Å; C405-K408 PolarHBondContact O-N 3.05Å; K408-V410 VanDerWaalsContact C-N 3.31Å; K408-V410 PolarHBondContact O-N 3.41Å; K408-R411 PolarHBondContact O-N 3.2Å
409	C	65.7	Low	65.3	Low	84 Å²	84	73 Å²	73	57%	0.568	39%	0.391	S	S	*	.	H	α-helix	trans	-59.5	-39.7	176.9	-65.2	0	0	0	0	112.6	C405 R406	C405-C409 PolarHBondContact O-N 3.09Å; C405-C409 VanDerWaalsContact O-N 3.07Å; C405-C409 PolarHBondContact O-SG 2.98Å; R406-C409 PolarHBondContact O-N 3.39Å
410	V	68.2	Low	62.7	Low	106 Å²	106	77.9 Å²	77.9	64%	0.642	42%	0.424	S	S	*	.	H	α-helix	trans	-73.5	-40.3	179.6	176.4	0	0	0	0	112.6	R406 R407 K408 N412 G413	R406-V410 WeakPolarHBondContact O-CG2 3.44Å; R406-V410 PolarHBondContact O-N 3.15Å; R407-V410 PolarHBondContact O-N 3.38Å; K408-V410 VanDerWaalsContact C-N 3.31Å; K408-V410 PolarHBondContact O-N 3.41Å; V410-N412 VanDerWaalsContact C-N 3.27Å; V410-N412 PolarHBondContact O-N 2.99Å; V410-G413 PolarHBondContact O-N 3.34Å
411	R	59.5	Low	59.9	Low	159 Å²	159	84.7 Å²	84.7	60%	0.6	45%	0.453	S	S	*	.	H	α-helix	trans	-63.4	-28.5	-176.8	-92.3	-173.9	174	-178	-0.8	113.9	N370 R407 K408 G413	N370-R411 PolarHBondContact OD1-NH1 3.27Å; R407-R411 PolarHBondContact O-N 3.01Å; K408-R411 PolarHBondContact O-N 3.2Å; R411-G413 PolarHBondContact O-N 3.19Å; R411-G413 VanDerWaalsContact O-N 3.08Å
412	N	56.3	Low	57.3	Low	101 Å²	101	86.3 Å²	86.3	54%	0.54	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	7	-178.7	-73	-2	0	0	0	114.3	V410 E414	V410-N412 VanDerWaalsContact C-N 3.27Å; V410-N412 PolarHBondContact O-N 2.99Å; N412-E414 VanDerWaalsContact C-N 3.27Å; N412-E414 PolarHBondContact O-N 3.48Å; N412-E414 VanDerWaalsContact O-N 3.09Å
413	G	42.8	Very low	54.7	Low	65 Å²	65	94.5 Å²	94.5	67%	0.67	50%	0.502	S	S	*	.			trans	75	1.5	157.7	0	0	0	0	0	117	V410 R411 G415	V410-G413 PolarHBondContact O-N 3.34Å; R411-G413 PolarHBondContact O-N 3.19Å; R411-G413 VanDerWaalsContact O-N 3.08Å; G413-G415 PolarHBondContact O-N 2.97Å
414	E	37	Very low	52.3	Low	108 Å²	108	97 Å²	97	51%	0.505	52%	0.515	S	S	.	.			trans	-84.9	68.4	175	-62.4	179.5	161.6	0	0	110.3	N412 T416 V419	N412-E414 VanDerWaalsContact C-N 3.27Å; N412-E414 PolarHBondContact O-N 3.48Å; N412-E414 VanDerWaalsContact O-N 3.09Å; E414-T416 VanDerWaalsContact C-N 3.31Å; E414-T416 PolarHBondContact O-N 3.43Å; E414-T416 VanDerWaalsContact O-N 3.14Å; E414-V419 HydrophobicContact CB-CB 4.45Å; E414-V419 HydrophobicContact CB-CG2 3.13Å; E414-V419 HydrophobicContact CG-CG2 4.24Å; E414-V419 WeakPolarHBondContact O-CG2 3.49Å; E414-V419 WeakPolarHBondContact OE2-CG2 3.21Å
415	G	33.3	Very low	49.9	Very low	71 Å²	71	98.6 Å²	98.6	73%	0.732	53%	0.527	S	S	*	.			trans	-83.2	50.2	-178.1	0	0	0	0	0	114.6	G413	G413-G415 PolarHBondContact O-N 2.97Å
416	T	35.6	Very low	47.8	Very low	109 Å²	109	102.3 Å²	102.3	67%	0.669	55%	0.546	S	S	*	.	S	Bend	trans	-169.5	124.3	171.5	40.1	0	0	0	0	108.3	E414 E418	E414-T416 VanDerWaalsContact C-N 3.31Å; E414-T416 PolarHBondContact O-N 3.43Å; E414-T416 VanDerWaalsContact O-N 3.14Å; T416-E418 PolarHBondContact O-N 2.92Å
417	E	42	Very low	45.9	Very low	193 Å²	193	101.4 Å²	101.4	90%	0.902	56%	0.555	S	S	*	*	S	Bend	trans	25.2	-20.5	165.7	-72.5	-175.8	149.7	0	0	123.7
418	E	33.9	Very low	43.8	Very low	141 Å²	141	100 Å²	100	66%	0.659	55%	0.554	S	S	*	*			trans	-89.8	-15.6	-173.7	-72.5	-178.9	144.4	0	0	114.9	T416 C420 K421	T416-E418 PolarHBondContact O-N 2.92Å; E418-C420 PolarHBondContact O-N 3.39Å; E418-K421 WeakPolarHBondContact O-CA 3.28Å; E418-K421 WeakPolarHBondContact O-CB 3.4Å; E418-K421 PolarHBondContact O-N 3.39Å
419	V	37.7	Very low	41.9	Very low	45 Å²	45	100.8 Å²	100.8	27%	0.273	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-65.1	-24.2	177.3	-165	0	0	0	0	113.3	E414 K421 A425	E414-V419 HydrophobicContact CB-CB 4.45Å; E414-V419 HydrophobicContact CB-CG2 3.13Å; E414-V419 HydrophobicContact CG-CG2 4.24Å; E414-V419 WeakPolarHBondContact O-CG2 3.49Å; E414-V419 WeakPolarHBondContact OE2-CG2 3.21Å; V419-K421 PolarHBondContact O-N 3.45Å; V419-A425 HydrophobicContact CG1-CB 3.88Å; V419-A425 WeakPolarHBondContact O-CB 3.18Å
420	C	38.2	Very low	40.2	Very low	104 Å²	104	105.3 Å²	105.3	70%	0.703	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-64.9	-4.1	170.4	-73.8	0	0	0	0	113	E418	E418-C420 PolarHBondContact O-N 3.39Å
421	K	34.7	Very low	38.3	Very low	164 Å²	164	109.6 Å²	109.6	71%	0.713	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-122.5	-8.8	-174.6	-59.5	179.7	-179.5	171.7	0	115.2	E418 V419	E418-K421 WeakPolarHBondContact O-CA 3.28Å; E418-K421 WeakPolarHBondContact O-CB 3.4Å; E418-K421 PolarHBondContact O-N 3.39Å; V419-K421 PolarHBondContact O-N 3.45Å
422	S	35.5	Very low	36.9	Very low	35 Å²	35	109.9 Å²	109.9	25%	0.245	60%	0.6	C	S	.	*			trans	-81.1	132.4	-179.9	72.5	0	0	0	0	111.5	F424 A425 L426	S422-F424 PolarHBondContact O-N 3.01Å; S422-A425 PolarHBondContact O-N 2.81Å; S422-L426 WeakPolarHBondContact O-CG 3.41Å; S422-L426 PolarHBondContact O-N 3.43Å
423	E	33	Very low	35.8	Very low	178 Å²	178	107.9 Å²	107.9	83%	0.832	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-28.2	-175.7	-115.5	175.7	164.5	0	0	113.6	S427	E423-S427 PolarHBondContact O-N 3.15Å
424	F	36.5	Very low	35.5	Very low	127 Å²	127	115 Å²	115	56%	0.557	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-40	179.3	-165.1	-106.2	0	0	0	112.9	S422 L426 S427	S422-F424 PolarHBondContact O-N 3.01Å; F424-L426 VanDerWaalsContact C-N 3.35Å; F424-S427 PolarHBondContact O-N 2.79Å; F424-S427 PolarHBondContact O-OG 3.5Å
425	A	38.6	Very low	35.9	Very low	33 Å²	33	116.4 Å²	116.4	27%	0.273	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-30.3	173.8	0	0	0	0	0	112.3	V419 S422 S427	V419-A425 HydrophobicContact CG1-CB 3.88Å; V419-A425 WeakPolarHBondContact O-CB 3.18Å; S422-A425 PolarHBondContact O-N 2.81Å; A425-S427 VanDerWaalsContact C-N 3.29Å; A425-S427 PolarHBondContact O-N 2.91Å
426	L	36.6	Very low	36.9	Very low	91 Å²	91	114 Å²	114	48%	0.476	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	-16.7	172.5	-73.4	163.8	0	0	0	113.7	S422 F424	S422-L426 WeakPolarHBondContact O-CG 3.41Å; S422-L426 PolarHBondContact O-N 3.43Å; F424-L426 VanDerWaalsContact C-N 3.35Å
427	S	37.8	Very low	38.7	Very low	78 Å²	78	111 Å²	111	55%	0.545	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-29.5	178.3	78.3	0	0	0	0	113.7	E423 F424 A425 C429	E423-S427 PolarHBondContact O-N 3.15Å; F424-S427 PolarHBondContact O-N 2.79Å; F424-S427 PolarHBondContact O-OG 3.5Å; A425-S427 VanDerWaalsContact C-N 3.29Å; A425-S427 PolarHBondContact O-N 2.91Å; S427-C429 VanDerWaalsContact C-N 3.31Å
428	L	41.5	Very low	40.8	Very low	65 Å²	65	101.8 Å²	101.8	34%	0.34	51%	0.506	S	S	.	.	S	Bend	trans	-79.2	-15.3	175.5	-112.4	92.3	0	0	0	113.2	W373	W373-L428 HydrophobicContact CZ2-CD2 4.16Å
429	C	35.6	Very low	43.3	Very low	59 Å²	59	97 Å²	97	40%	0.399	48%	0.484	S	S	.	.	S	Bend	trans	-119	94.7	178	-60.9	0	0	0	0	107.3	S427 K431	S427-C429 VanDerWaalsContact C-N 3.31Å; C429-K431 PolarHBondContact O-N 3.03Å; C429-K431 VanDerWaalsContact O-N 3.15Å
430	E	29.6	Very low	45.6	Very low	179 Å²	179	99.5 Å²	99.5	84%	0.836	49%	0.493	S	S	*	.			trans	-43.6	126.4	178	-79.9	-175.5	143	0	0	112	N432	E430-N432 PolarHBondContact O-N 3.19Å
431	K	29	Very low	48	Very low	197 Å²	197	94.5 Å²	94.5	86%	0.857	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	0.6	110.5	166.6	-65.3	174.9	179.4	174	0	114.4	C429	C429-K431 PolarHBondContact O-N 3.03Å; C429-K431 VanDerWaalsContact O-N 3.15Å
432	N	29.4	Very low	50.7	Low	164 Å²	164	87 Å²	87	88%	0.877	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	21.7	162.4	-62.3	-23.6	0	0	0	119.7	E430	E430-N432 PolarHBondContact O-N 3.19Å
433	S	32.9	Very low	53.4	Low	60 Å²	60	90.8 Å²	90.8	42%	0.42	44%	0.439	S	S	.	.			trans	-147.3	133.5	168.2	-78.1	0	0	0	0	113.3	R435	S433-R435 PolarHBondContact O-N 2.8Å
434	R	36.3	Very low	56.2	Low	213 Å²	213	85 Å²	85	80%	0.804	41%	0.41	S	S	*	.			trans	-64.5	52.6	168.6	-65.6	177	175	172.6	-1.9	111.7
435	R	45.8	Very low	58.9	Low	139 Å²	139	79 Å²	79	53%	0.525	38%	0.384	S	S	.	.			trans	-106.4	112.1	-174.1	-80.4	167	-176.8	-136.8	11.6	109.9	S433 E439	S433-R435 PolarHBondContact O-N 2.8Å; R435-E439 WeakPolarHBondContact CD-OE2 3.47Å; R435-E439 IonicContact CZ-OE2 2.7Å; R435-E439 IonicContact NE-OE2 2.78Å; R435-E439 IonicContact NH1-OE1 2.96Å; R435-E439 PolarHBondContact NH1-OE1 3.21Å; R435-E439 IonicContact NH1-OE2 2.77Å; R435-E439 PolarHBondContact NH1-OE2 3.07Å
436	P	54.8	Low	61.4	Low	19 Å²	19	81 Å²	81	12%	0.123	39%	0.386	C	S	.	.			trans	-70.1	160	173.4	27.9	-33.4	0	0	0	111.6	F438 E439 Y467	P436-F438 HydrophobicContact CB-CD2 3.72Å; P436-F438 HydrophobicContact CG-CB 4.19Å; P436-F438 HydrophobicContact CG-CD2 3.61Å; P436-F438 HydrophobicContact CG-CG 4.38Å; P436-F438 PolarHBondContact O-N 2.96Å; P436-E439 PolarHBondContact O-N 2.73Å; P436-E439 VanDerWaalsContact O-N 3.12Å; P436-Y467 HydrophobicContact CB-CD1 4.07Å; P436-Y467 HydrophobicContact CB-CE1 3.58Å; P436-Y467 HydrophobicContact CG-CD1 3.8Å; P436-Y467 HydrophobicContact CG-CE1 3.67Å
437	R	72.5	Confident	64.1	Low	46 Å²	46	84 Å²	84	17%	0.174	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-11.3	172.7	-81.1	-151	-175.7	-158.7	11	115.2	H401 V402 C405 E439 E440 G441	H401-R437 PolarHBondContact CD2-NH1 3.46Å; H401-R437 PolarHBondContact NE2-NH1 3.13Å; V402-R437 HydrophobicContact CG2-CB 4.04Å; C405-R437 WeakPolarHBondContact SG-CD 3.14Å; C405-R437 PolarHBondContact SG-NE 3.07Å; R437-E439 PolarHBondContact O-N 2.84Å; R437-E440 PolarHBondContact O-N 2.67Å; R437-G441 PolarHBondContact O-N 3.47Å; R437-G441 VanDerWaalsContact O-N 3.08Å
438	F	87.1	Confident	66.6	Low	0 Å²	0	84.6 Å²	84.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-49.5	-39.2	168.8	-77.1	-74.2	0	0	0	113.2	L399 V402 P436 A442 Y460 C463 W464 Y467	L399-F438 HydrophobicContact CD2-CD1 4.39Å; L399-F438 HydrophobicContact CD2-CE1 3.59Å; L399-F438 HydrophobicContact CD2-CZ 4.42Å; V402-F438 HydrophobicContact CG1-CD1 4.25Å; V402-F438 HydrophobicContact CG1-CD2 3.84Å; V402-F438 HydrophobicContact CG1-CE1 3.94Å; V402-F438 HydrophobicContact CG1-CE2 3.47Å; V402-F438 VanDerWaalsContact CG1-CE2 3.47Å; V402-F438 HydrophobicContact CG1-CG 4.22Å; V402-F438 HydrophobicContact CG1-CZ 3.53Å; P436-F438 HydrophobicContact CB-CD2 3.72Å; P436-F438 HydrophobicContact CG-CB 4.19Å; P436-F438 HydrophobicContact CG-CD2 3.61Å; P436-F438 HydrophobicContact CG-CG 4.38Å; P436-F438 PolarHBondContact O-N 2.96Å; F438-A442 VanDerWaalsContact O-CB 3.28Å; F438-A442 WeakPolarHBondContact O-CB 3.26Å; F438-A442 PolarHBondContact O-N 3.04Å; F438-Y460 VanDerWaalsContact C-OH 3.31Å; F438-Y460 WeakPolarHBondContact CA-OH 3.37Å; F438-Y460 HydrophobicContact CB-CE1 4.3Å; F438-Y460 HydrophobicContact CD1-CD1 4.38Å; F438-Y460 AromaticContact CD1-CE1 3.81Å; F438-Y460 HydrophobicContact CD1-CE1 3.81Å; F438-Y460 HydrophobicContact CD1-CE2 4.37Å; F438-Y460 AromaticContact CD1-CZ 3.83Å; F438-Y460 VanDerWaalsContact O-CE1 3.28Å; F438-Y460 WeakPolarHBondContact O-CE1 3.38Å; F438-Y460 PolarHBondContact O-OH 3.36Å; F438-C463 HydrophobicContact CE1-CB 4.1Å; F438-C463 HydrophobicContact CZ-CB 4.35Å; F438-W464 HydrophobicContact CB-CB 4.24Å; F438-W464 HydrophobicContact CB-CD2 3.51Å; F438-W464 HydrophobicContact CB-CE3 4.05Å; F438-W464 HydrophobicContact CB-CG 3.58Å; F438-W464 HydrophobicContact CB-CZ2 4.24Å; F438-W464 HydrophobicContact CD1-CB 3.54Å; F438-W464 HydrophobicContact CD1-CD2 4.44Å; F438-W464 AromaticContact CD1-CG 3.85Å; F438-W464 HydrophobicContact CD1-CG 3.85Å; F438-W464 HydrophobicContact CD2-CB 4.25Å; F438-W464 AromaticContact CD2-CD1 3.61Å; F438-W464 AromaticContact CD2-CG 3.99Å; F438-W464 HydrophobicContact CD2-CG 3.99Å; F438-W464 HydrophobicContact CE1-CB 3.81Å; F438-W464 HydrophobicContact CE1-CG 4.48Å; F438-W464 HydrophobicContact CG-CB 3.78Å; F438-W464 AromaticContact CG-CD1 3.61Å; F438-W464 HydrophobicContact CG-CD2 4.05Å; F438-W464 AromaticContact CG-CG 3.55Å; F438-W464 HydrophobicContact CG-CG 3.55Å; F438-W464 HydrophobicContact CZ-CB 4.3Å; F438-Y467 HydrophobicContact CD2-CD1 4.33Å; F438-Y467 HydrophobicContact CD2-CG 4.47Å; F438-Y467 HydrophobicContact CE2-CD1 4.04Å; F438-Y467 HydrophobicContact CE2-CD2 4.3Å; F438-Y467 AromaticContact CE2-CG 3.74Å; F438-Y467 HydrophobicContact CE2-CG 3.74Å
439	E	86.1	Confident	68.9	Low	40 Å²	40	84 Å²	84	19%	0.187	39%	0.389	C	S	.	.	H	α-helix	trans	-71.9	-38.9	-178	-171.1	175.3	158.6	0	0	113	R435 P436 R437 A442 K443 W464	R435-E439 WeakPolarHBondContact CD-OE2 3.47Å; R435-E439 IonicContact CZ-OE2 2.7Å; R435-E439 IonicContact NE-OE2 2.78Å; R435-E439 IonicContact NH1-OE1 2.96Å; R435-E439 PolarHBondContact NH1-OE1 3.21Å; R435-E439 IonicContact NH1-OE2 2.77Å; R435-E439 PolarHBondContact NH1-OE2 3.07Å; P436-E439 PolarHBondContact O-N 2.73Å; P436-E439 VanDerWaalsContact O-N 3.12Å; R437-E439 PolarHBondContact O-N 2.84Å; E439-A442 PolarHBondContact O-N 3.32Å; E439-K443 WeakPolarHBondContact O-CG 3.47Å; E439-K443 PolarHBondContact O-N 2.93Å; E439-K443 WeakPolarHBondContact OE1-CE 3.35Å; E439-K443 IonicContact OE1-NZ 2.95Å; E439-K443 PolarHBondContact OE1-NZ 3.45Å; E439-W464 HydrophobicContact CB-CH2 4.07Å; E439-W464 HydrophobicContact CB-CZ2 4.24Å; E439-W464 HydrophobicContact CG-CH2 4.38Å
440	E	85.8	Confident	71.4	Confident	98 Å²	98	82.6 Å²	82.6	46%	0.458	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-51	174	-174	-172.9	173.3	0	0	110.3	W398 R437 A442 K443 W444	W398-E440 HydrophobicContact CH2-CG 3.99Å; W398-E440 HydrophobicContact CZ3-CG 4.31Å; R437-E440 PolarHBondContact O-N 2.67Å; E440-A442 VanDerWaalsContact C-N 3.32Å; E440-A442 PolarHBondContact O-N 3.09Å; E440-K443 WeakPolarHBondContact O-CB 3.44Å; E440-K443 PolarHBondContact O-N 2.94Å; E440-K443 VanDerWaalsContact O-N 3.16Å; E440-W444 PolarHBondContact O-N 3.17Å
441	G	89.3	Confident	73.9	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-36.2	177	0	0	0	0	0	113	W398 R437 K443 W444 L445 Y460	W398-G441 VanDerWaalsContact CD2-CA 3.43Å; W398-G441 VanDerWaalsContact CZ3-CA 3.47Å; R437-G441 PolarHBondContact O-N 3.47Å; R437-G441 VanDerWaalsContact O-N 3.08Å; G441-K443 PolarHBondContact O-N 3.06Å; G441-W444 PolarHBondContact O-N 3.29Å; G441-L445 VanDerWaalsContact O-CB 3.29Å; G441-L445 WeakPolarHBondContact O-CB 3.46Å; G441-L445 WeakPolarHBondContact O-CD1 3.24Å; G441-L445 WeakPolarHBondContact O-CG 3.44Å; G441-L445 PolarHBondContact O-N 2.92Å; G441-Y460 VanDerWaalsContact CA-OH 3.25Å; G441-Y460 WeakPolarHBondContact CA-OH 3.45Å
442	A	91.2	Very high	76.2	Confident	6 Å²	6	80.7 Å²	80.7	5%	0.05	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-38.9	174.8	0	0	0	0	0	112.3	F438 E439 E440 K446 W454 Y460 W464	F438-A442 VanDerWaalsContact O-CB 3.28Å; F438-A442 WeakPolarHBondContact O-CB 3.26Å; F438-A442 PolarHBondContact O-N 3.04Å; E439-A442 PolarHBondContact O-N 3.32Å; E440-A442 VanDerWaalsContact C-N 3.32Å; E440-A442 PolarHBondContact O-N 3.09Å; A442-K446 WeakPolarHBondContact O-CB 3.33Å; A442-K446 WeakPolarHBondContact O-CD 3.25Å; A442-K446 WeakPolarHBondContact O-CG 3.34Å; A442-K446 PolarHBondContact O-N 2.6Å; A442-W454 HydrophobicContact CB-CH2 3.72Å; A442-W454 HydrophobicContact CB-CZ2 4.47Å; A442-W454 HydrophobicContact CB-CZ3 3.87Å; A442-Y460 HydrophobicContact CB-CE1 3.95Å; A442-Y460 PolarHBondContact N-OH 2.99Å; A442-W464 HydrophobicContact CB-CZ3 4.05Å
443	K	91.4	Very high	78.7	Confident	114 Å²	114	79.9 Å²	79.9	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-46.5	174.4	-74.9	171.7	-175.5	167.9	0	110.6	E439 E440 G441 K446 Q447	E439-K443 WeakPolarHBondContact O-CG 3.47Å; E439-K443 PolarHBondContact O-N 2.93Å; E439-K443 WeakPolarHBondContact OE1-CE 3.35Å; E439-K443 IonicContact OE1-NZ 2.95Å; E439-K443 PolarHBondContact OE1-NZ 3.45Å; E440-K443 WeakPolarHBondContact O-CB 3.44Å; E440-K443 PolarHBondContact O-N 2.94Å; E440-K443 VanDerWaalsContact O-N 3.16Å; G441-K443 PolarHBondContact O-N 3.06Å; K443-K446 PolarHBondContact O-N 3.48Å; K443-Q447 VanDerWaalsContact O-CG 3.28Å; K443-Q447 WeakPolarHBondContact O-CG 3.2Å; K443-Q447 PolarHBondContact O-N 3.43Å
444	W	92	Very high	81.5	Confident	58 Å²	58	77.2 Å²	77.2	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-47	178.8	-171.5	95.8	0	0	0	111.9	F384 L389 A394 W398 E440 G441 K446 Q447 N448 F449	F384-W444 HydrophobicContact CB-CH2 4.48Å; F384-W444 HydrophobicContact CB-CZ2 3.97Å; F384-W444 WeakPolarHBondContact O-CZ2 3.26Å; L389-W444 HydrophobicContact CD2-CH2 4.19Å; A394-W444 HydrophobicContact CB-CZ3 4.07Å; W398-W444 AromaticContact CD1-CE3 3.81Å; W398-W444 AromaticContact CE2-CD2 3.98Å; W398-W444 AromaticContact CE2-CG 3.99Å; W398-W444 HydrophobicContact CH2-CB 4.41Å; W398-W444 HydrophobicContact CZ2-CB 3.57Å; W398-W444 AromaticContact CZ2-CD2 3.99Å; W398-W444 HydrophobicContact CZ2-CD2 3.99Å; W398-W444 HydrophobicContact CZ2-CE3 4.48Å; W398-W444 AromaticContact CZ2-CG 3.57Å; W398-W444 HydrophobicContact CZ2-CG 3.57Å; W398-W444 AromaticContact NE1-CD2 3.39Å; W398-W444 AromaticContact NE1-CE3 3.03Å; W398-W444 AromaticContact NE1-CG 3.88Å; W398-W444 AromaticContact NE1-CZ3 3.65Å; E440-W444 PolarHBondContact O-N 3.17Å; G441-W444 PolarHBondContact O-N 3.29Å; W444-K446 VanDerWaalsContact C-N 3.34Å; W444-K446 PolarHBondContact O-N 3Å; W444-Q447 PolarHBondContact O-N 3.24Å; W444-N448 HydrophobicContact CH2-CB 4.3Å; W444-N448 VanDerWaalsContact CZ2-ND2 3.28Å; W444-N448 WeakPolarHBondContact CZ2-ND2 3.35Å; W444-N448 HydrophobicContact CZ3-CB 4.25Å; W444-N448 PolarHBondContact NE1-ND2 3.5Å; W444-N448 PolarHBondContact O-N 2.94Å; W444-N448 PolarHBondContact O-ND2 3.19Å; W444-F449 HydrophobicContact CZ3-CE2 4.01Å
445	L	92.8	Very high	83.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-40.6	178.7	-71.7	165.8	0	0	0	111.5	A394 V395 G441 N448 F449 W454 Y460	A394-L445 HydrophobicContact CB-CD2 3.6Å; V395-L445 HydrophobicContact CG2-CD1 3.96Å; V395-L445 HydrophobicContact CG2-CD2 4.08Å; G441-L445 VanDerWaalsContact O-CB 3.29Å; G441-L445 WeakPolarHBondContact O-CB 3.46Å; G441-L445 WeakPolarHBondContact O-CD1 3.24Å; G441-L445 WeakPolarHBondContact O-CG 3.44Å; G441-L445 PolarHBondContact O-N 2.92Å; L445-N448 PolarHBondContact O-N 3.48Å; L445-F449 HydrophobicContact CD2-CD2 4.07Å; L445-F449 HydrophobicContact CD2-CE2 3.99Å; L445-F449 WeakPolarHBondContact O-CB 3.44Å; L445-F449 WeakPolarHBondContact O-CD2 3.44Å; L445-F449 PolarHBondContact O-N 3.46Å; L445-W454 HydrophobicContact CB-CB 4.01Å; L445-W454 HydrophobicContact CB-CD2 4.29Å; L445-W454 HydrophobicContact CB-CE3 3.57Å; L445-W454 HydrophobicContact CB-CZ3 4.39Å; L445-W454 HydrophobicContact CD1-CE3 3.79Å; L445-W454 HydrophobicContact CD1-CZ3 3.98Å; L445-W454 HydrophobicContact CG-CE3 4.33Å; L445-W454 WeakPolarHBondContact O-CB 3.45Å; L445-Y460 HydrophobicContact CD1-CD2 3.74Å; L445-Y460 HydrophobicContact CD1-CE2 3.81Å; L445-Y460 HydrophobicContact CD1-CG 4.12Å
446	K	92.7	Very high	85.5	Confident	74 Å²	74	66.1 Å²	66.1	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-40.2	175	-77	173.4	178	-171.6	0	112.8	A442 K443 W444 G450 D451 W454	A442-K446 WeakPolarHBondContact O-CB 3.33Å; A442-K446 WeakPolarHBondContact O-CD 3.25Å; A442-K446 WeakPolarHBondContact O-CG 3.34Å; A442-K446 PolarHBondContact O-N 2.6Å; K443-K446 PolarHBondContact O-N 3.48Å; W444-K446 VanDerWaalsContact C-N 3.34Å; W444-K446 PolarHBondContact O-N 3Å; K446-G450 CarbonylContact O-C 3.44Å; K446-G450 WeakPolarHBondContact O-CA 3.39Å; K446-G450 PolarHBondContact O-N 2.99Å; K446-D451 WeakPolarHBondContact CD-OD1 3.34Å; K446-W454 HydrophobicContact CG-CB 4.3Å; K446-W454 VanDerWaalsContact CG-CD1 3.48Å; K446-W454 HydrophobicContact CG-CD2 3.84Å; K446-W454 HydrophobicContact CG-CG 3.64Å
447	Q	92.3	Very high	86.6	Confident	156 Å²	156	67.6 Å²	67.6	73%	0.729	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-40.9	178.1	-75.1	169.7	-5	0	0	111.5	K443 W444	K443-Q447 VanDerWaalsContact O-CG 3.28Å; K443-Q447 WeakPolarHBondContact O-CG 3.2Å; K443-Q447 PolarHBondContact O-N 3.43Å; W444-Q447 PolarHBondContact O-N 3.24Å
448	N	90	Very high	87.3	Confident	89 Å²	89	65.6 Å²	65.6	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-86.1	-33	-175.5	-70.3	-69.6	0	0	0	114.6	W444 L445	W444-N448 HydrophobicContact CH2-CB 4.3Å; W444-N448 VanDerWaalsContact CZ2-ND2 3.28Å; W444-N448 WeakPolarHBondContact CZ2-ND2 3.35Å; W444-N448 HydrophobicContact CZ3-CB 4.25Å; W444-N448 PolarHBondContact NE1-ND2 3.5Å; W444-N448 PolarHBondContact O-N 2.94Å; W444-N448 PolarHBondContact O-ND2 3.19Å; L445-N448 PolarHBondContact O-N 3.48Å
449	F	90.9	Very high	87.5	Confident	52 Å²	52	70.9 Å²	70.9	23%	0.228	33%	0.326	C	S	.	.	H	α-helix	trans	-115.7	-2.2	-175.3	-59.7	-72.5	0	0	0	114.4	L389 C391 A394 W444 L445 W454	L389-F449 VanDerWaalsContact O-CE1 3.26Å; L389-F449 WeakPolarHBondContact O-CE1 3.46Å; L389-F449 WeakPolarHBondContact O-CZ 3.41Å; C391-F449 HydrophobicContact CB-CB 4.42Å; C391-F449 HydrophobicContact CB-CD1 3.7Å; C391-F449 HydrophobicContact CB-CD2 4.25Å; C391-F449 HydrophobicContact CB-CE1 3.98Å; C391-F449 HydrophobicContact CB-CG 3.85Å; C391-F449 HydrophobicContact CB-CZ 4.39Å; A394-F449 HydrophobicContact CB-CD2 4.49Å; A394-F449 HydrophobicContact CB-CE2 3.39Å; A394-F449 HydrophobicContact CB-CZ 3.7Å; W444-F449 HydrophobicContact CZ3-CE2 4.01Å; L445-F449 HydrophobicContact CD2-CD2 4.07Å; L445-F449 HydrophobicContact CD2-CE2 3.99Å; L445-F449 WeakPolarHBondContact O-CB 3.44Å; L445-F449 WeakPolarHBondContact O-CD2 3.44Å; L445-F449 PolarHBondContact O-N 3.46Å; F449-W454 HydrophobicContact CB-CB 4.21Å
450	G	87.2	Confident	87.9	Confident	31 Å²	31	69 Å²	69	32%	0.32	32%	0.317	S	S	.	.			trans	79.7	154.1	-178.9	0	0	0	0	0	114.3	K446 R452 Y453 W454	K446-G450 CarbonylContact O-C 3.44Å; K446-G450 WeakPolarHBondContact O-CA 3.39Å; K446-G450 PolarHBondContact O-N 2.99Å; G450-R452 PolarHBondContact O-N 2.94Å; G450-Y453 PolarHBondContact O-N 2.57Å; G450-W454 WeakPolarHBondContact O-CB 3.48Å; G450-W454 PolarHBondContact O-N 3.01Å; G450-W454 VanDerWaalsContact O-N 3.16Å
451	D	81.6	Confident	88.2	Confident	120 Å²	120	65.9 Å²	65.9	64%	0.642	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25	-172.8	-85.1	-28.8	0	0	0	115.5	K446 W454	K446-D451 WeakPolarHBondContact CD-OD1 3.34Å; D451-W454 VanDerWaalsContact O-CD1 3.29Å
452	R	78.5	Confident	88.3	Confident	216 Å²	216	67.8 Å²	67.8	82%	0.815	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-29.1	-178.5	-82.6	-172.3	-98.5	-145.9	-4	114.2	G450	G450-R452 PolarHBondContact O-N 2.94Å
453	Y	82.2	Confident	88.3	Confident	147 Å²	147	68.2 Å²	68.2	58%	0.576	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-6.7	-165.2	-54.8	-66	0	0	0	114.2	C391 G450 D455 M456	C391-Y453 PolarHBondContact SG-O 3.34Å; G450-Y453 PolarHBondContact O-N 2.57Å; Y453-D455 PolarHBondContact O-N 2.94Å; Y453-M456 WeakPolarHBondContact O-CG 3.41Å; Y453-M456 PolarHBondContact O-N 3.04Å
454	W	90.3	Very high	88.4	Confident	3 Å²	3	64.7 Å²	64.7	1%	0.011	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-13.3	-176.6	75.5	-88.8	0	0	0	117.1	C391 A442 L445 K446 F449 G450 D451 Y460 R461	C391-W454 VanDerWaalsContact SG-CA 3.56Å; C391-W454 PolarHBondContact SG-O 3.38Å; A442-W454 HydrophobicContact CB-CH2 3.72Å; A442-W454 HydrophobicContact CB-CZ2 4.47Å; A442-W454 HydrophobicContact CB-CZ3 3.87Å; L445-W454 HydrophobicContact CB-CB 4.01Å; L445-W454 HydrophobicContact CB-CD2 4.29Å; L445-W454 HydrophobicContact CB-CE3 3.57Å; L445-W454 HydrophobicContact CB-CZ3 4.39Å; L445-W454 HydrophobicContact CD1-CE3 3.79Å; L445-W454 HydrophobicContact CD1-CZ3 3.98Å; L445-W454 HydrophobicContact CG-CE3 4.33Å; L445-W454 WeakPolarHBondContact O-CB 3.45Å; K446-W454 HydrophobicContact CG-CB 4.3Å; K446-W454 VanDerWaalsContact CG-CD1 3.48Å; K446-W454 HydrophobicContact CG-CD2 3.84Å; K446-W454 HydrophobicContact CG-CG 3.64Å; F449-W454 HydrophobicContact CB-CB 4.21Å; G450-W454 WeakPolarHBondContact O-CB 3.48Å; G450-W454 PolarHBondContact O-N 3.01Å; G450-W454 VanDerWaalsContact O-N 3.16Å; D451-W454 VanDerWaalsContact O-CD1 3.29Å; W454-Y460 AromaticContact CH2-CD1 3.91Å; W454-Y460 HydrophobicContact CH2-CD1 3.91Å; W454-Y460 HydrophobicContact CH2-CE1 4.47Å; W454-Y460 AromaticContact CZ3-CD1 3.52Å; W454-Y460 HydrophobicContact CZ3-CD1 3.52Å; W454-Y460 HydrophobicContact CZ3-CE1 4.09Å; W454-Y460 AromaticContact CZ3-CG 3.95Å; W454-Y460 HydrophobicContact CZ3-CG 3.95Å; W454-R461 VanDerWaalsContact CE2-NH2 3.28Å; W454-R461 HydrophobicContact CH2-CG 3.93Å; W454-R461 HydrophobicContact CZ2-CG 4.19Å; W454-R461 VanDerWaalsContact CZ2-NH2 3.26Å
455	D	87.4	Confident	88.4	Confident	10 Å²	10	62 Å²	62	5%	0.053	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	68.2	178.6	174.1	33.1	0	0	0	108	Y453 D457 G458 W459 Y460 R461	Y453-D455 PolarHBondContact O-N 2.94Å; D455-D457 VanDerWaalsContact C-N 3.27Å; D455-D457 PolarHBondContact O-N 3.47Å; D455-G458 VanDerWaalsContact CG-CA 3.45Å; D455-G458 PolarHBondContact O-N 2.8Å; D455-G458 WeakPolarHBondContact OD1-CA 3.3Å; D455-G458 PolarHBondContact OD1-N 2.87Å; D455-G458 VanDerWaalsContact OD2-C 3.25Å; D455-G458 WeakPolarHBondContact OD2-CA 3.29Å; D455-W459 PolarHBondContact OD1-N 3Å; D455-Y460 PolarHBondContact OD1-N 3.48Å; D455-R461 VanDerWaalsContact OD2-CG 3.31Å; D455-R461 WeakPolarHBondContact OD2-CG 3.48Å; D455-R461 IonicContact OD2-CZ 2.99Å; D455-R461 PolarHBondContact OD2-N 3.43Å; D455-R461 VanDerWaalsContact OD2-N 3.12Å; D455-R461 IonicContact OD2-NH1 2.67Å; D455-R461 PolarHBondContact OD2-NH1 3.23Å
456	M	78.9	Confident	88.3	Confident	109 Å²	109	68.1 Å²	68.1	54%	0.537	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.8	-169.2	-68	-175.4	56.3	0	0	113.6	Y453	Y453-M456 WeakPolarHBondContact O-CG 3.41Å; Y453-M456 PolarHBondContact O-N 3.04Å
457	D	78.9	Confident	87.9	Confident	51 Å²	51	67.5 Å²	67.5	27%	0.273	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	4.3	-178.3	-66.6	-33	0	0	0	113.4	D455 W459 F496 L1163	D455-D457 VanDerWaalsContact C-N 3.27Å; D455-D457 PolarHBondContact O-N 3.47Å; D457-W459 PolarHBondContact O-N 2.82Å; D457-F496 WeakPolarHBondContact O-CE1 3.38Å; D457-F496 VanDerWaalsContact O-CZ 3.3Å; D457-F496 WeakPolarHBondContact O-CZ 3.29Å; D457-L1163 WeakPolarHBondContact OD1-CD1 3.3Å; D457-L1163 WeakPolarHBondContact OD2-CD1 3.25Å
458	G	87.7	Confident	87.7	Confident	4 Å²	4	60.6 Å²	60.6	4%	0.041	27%	0.273	C	S	.	.	S	Bend	trans	68.4	9.1	-175.1	0	0	0	0	0	113.8	D455 Y460 R461 K462	D455-G458 VanDerWaalsContact CG-CA 3.45Å; D455-G458 PolarHBondContact O-N 2.8Å; D455-G458 WeakPolarHBondContact OD1-CA 3.3Å; D455-G458 PolarHBondContact OD1-N 2.87Å; D455-G458 VanDerWaalsContact OD2-C 3.25Å; D455-G458 WeakPolarHBondContact OD2-CA 3.29Å; G458-Y460 PolarHBondContact O-N 2.77Å; G458-R461 PolarHBondContact O-N 2.85Å; G458-K462 WeakPolarHBondContact O-CB 3.39Å; G458-K462 WeakPolarHBondContact O-CG 3.47Å; G458-K462 PolarHBondContact O-N 3.13Å
459	W	91.2	Very high	87.5	Confident	111 Å²	111	56.5 Å²	56.5	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-42.3	-172.8	178.6	41.5	0	0	0	112.3	V395 E396 L399 D455 D457 R461 K462 C463	V395-W459 HydrophobicContact CB-CE3 4.4Å; V395-W459 HydrophobicContact CG1-CD2 4.2Å; V395-W459 HydrophobicContact CG1-CE3 3.34Å; V395-W459 HydrophobicContact CG1-CZ3 3.69Å; E396-W459 HydrophobicContact CB-CH2 4.37Å; E396-W459 HydrophobicContact CB-CZ3 4.24Å; E396-W459 HydrophobicContact CG-CH2 3.73Å; E396-W459 HydrophobicContact CG-CZ3 3.43Å; E396-W459 VanDerWaalsContact CG-CZ3 3.43Å; L399-W459 HydrophobicContact CD1-CD2 3.64Å; L399-W459 VanDerWaalsContact CD1-CE2 3.48Å; L399-W459 HydrophobicContact CD1-CE3 3.76Å; L399-W459 HydrophobicContact CD1-CG 4.38Å; L399-W459 HydrophobicContact CD1-CH2 3.57Å; L399-W459 HydrophobicContact CD1-CZ2 3.46Å; L399-W459 VanDerWaalsContact CD1-CZ2 3.46Å; L399-W459 HydrophobicContact CD1-CZ3 3.7Å; D455-W459 PolarHBondContact OD1-N 3Å; D457-W459 PolarHBondContact O-N 2.82Å; W459-R461 PolarHBondContact O-N 3.29Å; W459-K462 PolarHBondContact O-N 2.98Å; W459-C463 PolarHBondContact NE1-SG 3.45Å; W459-C463 VanDerWaalsContact NE1-SG 3.37Å; W459-C463 PolarHBondContact O-N 3.31Å; W459-C463 PolarHBondContact O-SG 2.92Å; W459-C463 VanDerWaalsContact O-SG 3.4Å
460	Y	92.7	Very high	87.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-49.7	176.7	-168.7	-88.9	0	0	0	111	V395 W398 L399 F438 G441 A442 L445 W454 D455 G458 K462 C463 W464	V395-Y460 HydrophobicContact CG1-CD2 4.14Å; W398-Y460 HydrophobicContact CB-CE2 3.88Å; L399-Y460 HydrophobicContact CD2-CD2 3.78Å; L399-Y460 HydrophobicContact CD2-CE2 4.04Å; L399-Y460 HydrophobicContact CD2-CG 4.45Å; L399-Y460 HydrophobicContact CG-CD2 3.84Å; L399-Y460 HydrophobicContact CG-CE2 4.26Å; F438-Y460 VanDerWaalsContact C-OH 3.31Å; F438-Y460 WeakPolarHBondContact CA-OH 3.37Å; F438-Y460 HydrophobicContact CB-CE1 4.3Å; F438-Y460 HydrophobicContact CD1-CD1 4.38Å; F438-Y460 AromaticContact CD1-CE1 3.81Å; F438-Y460 HydrophobicContact CD1-CE1 3.81Å; F438-Y460 HydrophobicContact CD1-CE2 4.37Å; F438-Y460 AromaticContact CD1-CZ 3.83Å; F438-Y460 VanDerWaalsContact O-CE1 3.28Å; F438-Y460 WeakPolarHBondContact O-CE1 3.38Å; F438-Y460 PolarHBondContact O-OH 3.36Å; G441-Y460 VanDerWaalsContact CA-OH 3.25Å; G441-Y460 WeakPolarHBondContact CA-OH 3.45Å; A442-Y460 HydrophobicContact CB-CE1 3.95Å; A442-Y460 PolarHBondContact N-OH 2.99Å; L445-Y460 HydrophobicContact CD1-CD2 3.74Å; L445-Y460 HydrophobicContact CD1-CE2 3.81Å; L445-Y460 HydrophobicContact CD1-CG 4.12Å; W454-Y460 AromaticContact CH2-CD1 3.91Å; W454-Y460 HydrophobicContact CH2-CD1 3.91Å; W454-Y460 HydrophobicContact CH2-CE1 4.47Å; W454-Y460 AromaticContact CZ3-CD1 3.52Å; W454-Y460 HydrophobicContact CZ3-CD1 3.52Å; W454-Y460 HydrophobicContact CZ3-CE1 4.09Å; W454-Y460 AromaticContact CZ3-CG 3.95Å; W454-Y460 HydrophobicContact CZ3-CG 3.95Å; D455-Y460 PolarHBondContact OD1-N 3.48Å; G458-Y460 PolarHBondContact O-N 2.77Å; Y460-K462 PolarHBondContact O-N 3.02Å; Y460-C463 PolarHBondContact O-N 2.93Å; Y460-W464 HydrophobicContact CE1-CE3 4.38Å; Y460-W464 WeakPolarHBondContact O-CB 3.41Å; Y460-W464 PolarHBondContact O-N 3.24Å
461	R	92.2	Very high	86.6	Confident	32 Å²	32	59.5 Å²	59.5	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-36.4	176.8	-71.6	-176.8	-168.5	89	-13.8	112.8	W454 D455 G458 W459 W464 A465 L481 E484 V485	W454-R461 VanDerWaalsContact CE2-NH2 3.28Å; W454-R461 HydrophobicContact CH2-CG 3.93Å; W454-R461 HydrophobicContact CZ2-CG 4.19Å; W454-R461 VanDerWaalsContact CZ2-NH2 3.26Å; D455-R461 VanDerWaalsContact OD2-CG 3.31Å; D455-R461 WeakPolarHBondContact OD2-CG 3.48Å; D455-R461 IonicContact OD2-CZ 2.99Å; D455-R461 PolarHBondContact OD2-N 3.43Å; D455-R461 VanDerWaalsContact OD2-N 3.12Å; D455-R461 IonicContact OD2-NH1 2.67Å; D455-R461 PolarHBondContact OD2-NH1 3.23Å; G458-R461 PolarHBondContact O-N 2.85Å; W459-R461 PolarHBondContact O-N 3.29Å; R461-W464 PolarHBondContact O-N 3.27Å; R461-A465 VanDerWaalsContact O-CB 3.32Å; R461-A465 WeakPolarHBondContact O-CB 3.5Å; R461-A465 PolarHBondContact O-N 3.49Å; R461-L481 HydrophobicContact CB-CD2 4.42Å; R461-L481 HydrophobicContact CG-CD2 4.15Å; R461-E484 IonicContact CZ-OE2 3.32Å; R461-E484 IonicContact NE-OE2 2.75Å; R461-E484 PolarHBondContact NE-OE2 2.9Å; R461-E484 IonicContact NH2-OE2 2.95Å; R461-V485 HydrophobicContact CB-CG2 3.6Å; R461-V485 HydrophobicContact CG-CG2 4.41Å
462	K	92.6	Very high	86.4	Confident	40 Å²	40	55 Å²	55	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-46.2	175.4	-75.8	177.2	-173.6	-166.9	0	111.2	G458 W459 Y460 W464 A465 R466 W482 F496 D499	G458-K462 WeakPolarHBondContact O-CB 3.39Å; G458-K462 WeakPolarHBondContact O-CG 3.47Å; G458-K462 PolarHBondContact O-N 3.13Å; W459-K462 PolarHBondContact O-N 2.98Å; Y460-K462 PolarHBondContact O-N 3.02Å; K462-W464 VanDerWaalsContact C-N 3.34Å; K462-A465 PolarHBondContact O-N 2.87Å; K462-R466 WeakPolarHBondContact O-CB 3.42Å; K462-R466 PolarHBondContact O-N 3.35Å; K462-W482 HydrophobicContact CD-CH2 3.93Å; K462-W482 HydrophobicContact CG-CH2 3.63Å; K462-W482 HydrophobicContact CG-CZ2 3.89Å; K462-W482 HydrophobicContact CG-CZ3 4.21Å; K462-F496 VanDerWaalsContact CE-CD1 3.49Å; K462-D499 IonicContact NZ-OD2 2.68Å; K462-D499 PolarHBondContact NZ-OD2 3.06Å
463	C	91.8	Very high	86.5	Confident	16 Å²	16	51.5 Å²	51.5	11%	0.108	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-42.9	175.4	-71.9	0	0	0	0	111.5	L399 F438 W459 Y460 R466 Y467	L399-C463 HydrophobicContact CD1-CB 4.4Å; L399-C463 HydrophobicContact CD2-CB 3.67Å; F438-C463 HydrophobicContact CE1-CB 4.1Å; F438-C463 HydrophobicContact CZ-CB 4.35Å; W459-C463 PolarHBondContact NE1-SG 3.45Å; W459-C463 VanDerWaalsContact NE1-SG 3.37Å; W459-C463 PolarHBondContact O-N 3.31Å; W459-C463 PolarHBondContact O-SG 2.92Å; W459-C463 VanDerWaalsContact O-SG 3.4Å; Y460-C463 PolarHBondContact O-N 2.93Å; C463-R466 PolarHBondContact O-N 2.87Å; C463-Y467 PolarHBondContact O-N 2.93Å
464	W	92.6	Very high	86.6	Confident	39 Å²	39	47.6 Å²	47.6	15%	0.148	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-47	176.4	-172.2	6.4	0	0	0	112.1	F438 E439 A442 Y460 R461 K462 R466 Y467 L468 L481	F438-W464 HydrophobicContact CB-CB 4.24Å; F438-W464 HydrophobicContact CB-CD2 3.51Å; F438-W464 HydrophobicContact CB-CE3 4.05Å; F438-W464 HydrophobicContact CB-CG 3.58Å; F438-W464 HydrophobicContact CB-CZ2 4.24Å; F438-W464 HydrophobicContact CD1-CB 3.54Å; F438-W464 HydrophobicContact CD1-CD2 4.44Å; F438-W464 AromaticContact CD1-CG 3.85Å; F438-W464 HydrophobicContact CD1-CG 3.85Å; F438-W464 HydrophobicContact CD2-CB 4.25Å; F438-W464 AromaticContact CD2-CD1 3.61Å; F438-W464 AromaticContact CD2-CG 3.99Å; F438-W464 HydrophobicContact CD2-CG 3.99Å; F438-W464 HydrophobicContact CE1-CB 3.81Å; F438-W464 HydrophobicContact CE1-CG 4.48Å; F438-W464 HydrophobicContact CG-CB 3.78Å; F438-W464 AromaticContact CG-CD1 3.61Å; F438-W464 HydrophobicContact CG-CD2 4.05Å; F438-W464 AromaticContact CG-CG 3.55Å; F438-W464 HydrophobicContact CG-CG 3.55Å; F438-W464 HydrophobicContact CZ-CB 4.3Å; E439-W464 HydrophobicContact CB-CH2 4.07Å; E439-W464 HydrophobicContact CB-CZ2 4.24Å; E439-W464 HydrophobicContact CG-CH2 4.38Å; A442-W464 HydrophobicContact CB-CZ3 4.05Å; Y460-W464 HydrophobicContact CE1-CE3 4.38Å; Y460-W464 WeakPolarHBondContact O-CB 3.41Å; Y460-W464 PolarHBondContact O-N 3.24Å; R461-W464 PolarHBondContact O-N 3.27Å; K462-W464 VanDerWaalsContact C-N 3.34Å; W464-R466 VanDerWaalsContact C-N 3.28Å; W464-R466 PolarHBondContact O-N 2.68Å; W464-Y467 WeakPolarHBondContact O-CB 3.07Å; W464-Y467 PolarHBondContact O-N 2.85Å; W464-Y467 VanDerWaalsContact O-N 3.15Å; W464-L468 WeakPolarHBondContact O-CG 3.19Å; W464-L468 PolarHBondContact O-N 3.03Å; W464-L481 HydrophobicContact CB-CD1 3.82Å; W464-L481 HydrophobicContact CD2-CD1 3.64Å; W464-L481 HydrophobicContact CD2-CD2 4.12Å; W464-L481 HydrophobicContact CE3-CD1 4.08Å; W464-L481 HydrophobicContact CE3-CD2 3.69Å; W464-L481 HydrophobicContact CG-CD1 3.52Å; W464-L481 HydrophobicContact CZ3-CD2 4.02Å
465	A	91.3	Very high	86.7	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-41.2	177.3	0	0	0	0	0	111.5	R461 K462 L468 A469 A478 L481 L503	R461-A465 VanDerWaalsContact O-CB 3.32Å; R461-A465 WeakPolarHBondContact O-CB 3.5Å; R461-A465 PolarHBondContact O-N 3.49Å; K462-A465 PolarHBondContact O-N 2.87Å; A465-L468 PolarHBondContact O-N 2.64Å; A465-A469 WeakPolarHBondContact O-CB 3.49Å; A465-A469 PolarHBondContact O-N 3.46Å; A465-A478 HydrophobicContact CB-CB 4.15Å; A465-A478 WeakPolarHBondContact O-CB 3.46Å; A465-L481 HydrophobicContact CB-CB 4.02Å; A465-L481 HydrophobicContact CB-CD1 4.03Å; A465-L503 HydrophobicContact CB-CD2 4.17Å
466	R	90.7	Very high	86.8	Confident	129 Å²	129	53.3 Å²	53.3	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-43.6	175.8	-167.9	176.5	-171.2	104.6	14.2	112.2	K462 C463 W464 A469 S470 L503	K462-R466 WeakPolarHBondContact O-CB 3.42Å; K462-R466 PolarHBondContact O-N 3.35Å; C463-R466 PolarHBondContact O-N 2.87Å; W464-R466 VanDerWaalsContact C-N 3.28Å; W464-R466 PolarHBondContact O-N 2.68Å; R466-A469 PolarHBondContact O-N 2.98Å; R466-S470 WeakPolarHBondContact O-CB 3.21Å; R466-S470 PolarHBondContact O-N 2.79Å; R466-S470 PolarHBondContact O-OG 2.9Å; R466-L503 HydrophobicContact CB-CD1 4.11Å; R466-L503 HydrophobicContact CG-CD1 4.01Å
467	Y	85.4	Confident	87.2	Confident	61 Å²	61	49.1 Å²	49.1	24%	0.239	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-44.3	176.3	-179.3	-92.5	0	0	0	112.1	R406 P436 F438 C463 W464 A469 S470 E471 C472	R406-Y467 HydrophobicContact CG-CE2 4.22Å; P436-Y467 HydrophobicContact CB-CD1 4.07Å; P436-Y467 HydrophobicContact CB-CE1 3.58Å; P436-Y467 HydrophobicContact CG-CD1 3.8Å; P436-Y467 HydrophobicContact CG-CE1 3.67Å; F438-Y467 HydrophobicContact CD2-CD1 4.33Å; F438-Y467 HydrophobicContact CD2-CG 4.47Å; F438-Y467 HydrophobicContact CE2-CD1 4.04Å; F438-Y467 HydrophobicContact CE2-CD2 4.3Å; F438-Y467 AromaticContact CE2-CG 3.74Å; F438-Y467 HydrophobicContact CE2-CG 3.74Å; C463-Y467 PolarHBondContact O-N 2.93Å; W464-Y467 WeakPolarHBondContact O-CB 3.07Å; W464-Y467 PolarHBondContact O-N 2.85Å; W464-Y467 VanDerWaalsContact O-N 3.15Å; Y467-A469 VanDerWaalsContact C-N 3.33Å; Y467-A469 PolarHBondContact O-N 2.96Å; Y467-S470 PolarHBondContact O-N 3.3Å; Y467-E471 HydrophobicContact CD2-CB 4.16Å; Y467-E471 HydrophobicContact CD2-CG 3.73Å; Y467-E471 HydrophobicContact CE2-CB 3.97Å; Y467-E471 HydrophobicContact CE2-CG 3.75Å; Y467-E471 HydrophobicContact CG-CG 4.44Å; Y467-E471 WeakPolarHBondContact O-CB 3.32Å; Y467-E471 PolarHBondContact O-N 3.21Å; Y467-C472 WeakPolarHBondContact CE1-SG 3.49Å; Y467-C472 PolarHBondContact O-N 2.87Å
468	L	86.7	Confident	87.7	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-43.3	176.5	-71.4	179.4	0	0	0	111.8	W464 A465 C472 N473 N474 A478 L481	W464-L468 WeakPolarHBondContact O-CG 3.19Å; W464-L468 PolarHBondContact O-N 3.03Å; A465-L468 PolarHBondContact O-N 2.64Å; L468-C472 HydrophobicContact CD2-CB 4.3Å; L468-C472 CarbonylContact O-C 3.54Å; L468-C472 WeakPolarHBondContact O-CB 3.32Å; L468-C472 PolarHBondContact O-N 2.75Å; L468-N473 PolarHBondContact O-N 2.97Å; L468-N473 VanDerWaalsContact O-N 3.14Å; L468-N474 HydrophobicContact CB-CB 4.43Å; L468-N474 PolarHBondContact O-N 3.25Å; L468-A478 HydrophobicContact CB-CB 4.33Å; L468-L481 HydrophobicContact CD1-CD1 3.72Å
469	A	87.3	Confident	88.1	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-48.6	178.9	0	0	0	0	0	112.4	A465 R466 Y467 M475 A478 L503 F507	A465-A469 WeakPolarHBondContact O-CB 3.49Å; A465-A469 PolarHBondContact O-N 3.46Å; R466-A469 PolarHBondContact O-N 2.98Å; Y467-A469 VanDerWaalsContact C-N 3.33Å; Y467-A469 PolarHBondContact O-N 2.96Å; A469-M475 HydrophobicContact CB-SD 3.4Å; A469-M475 WeakPolarHBondContact CB-SD 3.1Å; A469-A478 HydrophobicContact CB-CB 4.18Å; A469-L503 HydrophobicContact CB-CD1 3.93Å; A469-L503 HydrophobicContact CB-CD2 4.31Å; A469-L503 HydrophobicContact CB-CG 4.25Å; A469-F507 HydrophobicContact CB-CB 3.9Å; A469-F507 HydrophobicContact CB-CD2 3.67Å; A469-F507 HydrophobicContact CB-CE2 4.4Å; A469-F507 HydrophobicContact CB-CG 3.83Å
470	S	84.1	Confident	88.1	Confident	46 Å²	46	46.5 Å²	46.5	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-84.1	-40.2	-170.7	71.1	0	0	0	0	114.4	R466 Y467	R466-S470 WeakPolarHBondContact O-CB 3.21Å; R466-S470 PolarHBondContact O-N 2.79Å; R466-S470 PolarHBondContact O-OG 2.9Å; Y467-S470 PolarHBondContact O-N 3.3Å
471	E	75.3	Confident	88.1	Confident	100 Å²	100	47.1 Å²	47.1	47%	0.467	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-34.8	-173.2	-54.3	-63.9	162.7	0	0	112.2	R406 Y467	R406-E471 IonicContact CZ-OE1 3.43Å; R406-E471 IonicContact NE-OE1 3.51Å; R406-E471 IonicContact NH2-OE1 2.71Å; R406-E471 PolarHBondContact NH2-OE1 2.93Å; Y467-E471 HydrophobicContact CD2-CB 4.16Å; Y467-E471 HydrophobicContact CD2-CG 3.73Å; Y467-E471 HydrophobicContact CE2-CB 3.97Å; Y467-E471 HydrophobicContact CE2-CG 3.75Å; Y467-E471 HydrophobicContact CG-CG 4.44Å; Y467-E471 WeakPolarHBondContact O-CB 3.32Å; Y467-E471 PolarHBondContact O-N 3.21Å
472	C	77	Confident	88.2	Confident	27 Å²	27	46 Å²	46	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	-96.2	-5.7	-177.2	-54.8	0	0	0	0	114.1	Y467 L468 N474	Y467-C472 WeakPolarHBondContact CE1-SG 3.49Å; Y467-C472 PolarHBondContact O-N 2.87Å; L468-C472 HydrophobicContact CD2-CB 4.3Å; L468-C472 CarbonylContact O-C 3.54Å; L468-C472 WeakPolarHBondContact O-CB 3.32Å; L468-C472 PolarHBondContact O-N 2.75Å; C472-N474 HydrophobicContact CB-CB 4.15Å; C472-N474 PolarHBondContact O-N 2.91Å; C472-N474 VanDerWaalsContact O-N 3.16Å
473	N	79.9	Confident	88.1	Confident	141 Å²	141	50.6 Å²	50.6	75%	0.754	26%	0.256	S	S	*	.			trans	47.7	38.4	-171.6	-162.1	31.7	0	0	0	112.6	L468	L468-N473 PolarHBondContact O-N 2.97Å; L468-N473 VanDerWaalsContact O-N 3.14Å
474	N	85.5	Confident	88	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.353	27%	0.27	S	S	.	.			trans	-114.7	77.6	-175.8	-178.5	5.1	0	0	0	110	L468 C472 D476 G477 A478	L468-N474 HydrophobicContact CB-CB 4.43Å; L468-N474 PolarHBondContact O-N 3.25Å; C472-N474 HydrophobicContact CB-CB 4.15Å; C472-N474 PolarHBondContact O-N 2.91Å; C472-N474 VanDerWaalsContact O-N 3.16Å; N474-D476 VanDerWaalsContact C-N 3.34Å; N474-G477 PolarHBondContact OD1-N 2.67Å; N474-A478 PolarHBondContact O-N 3.35Å
475	M	91.7	Very high	87.9	Confident	18 Å²	18	52.3 Å²	52.3	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-29.6	178.2	-85.1	-56	-90.1	0	0	113.4	A469 G477 A478 R479 E504 F507	A469-M475 HydrophobicContact CB-SD 3.4Å; A469-M475 WeakPolarHBondContact CB-SD 3.1Å; M475-G477 PolarHBondContact O-N 3.25Å; M475-A478 PolarHBondContact O-N 2.71Å; M475-A478 HydrophobicContact SD-CB 3.99Å; M475-R479 WeakPolarHBondContact O-CB 3.46Å; M475-R479 WeakPolarHBondContact O-CG 3.4Å; M475-R479 PolarHBondContact O-N 2.93Å; M475-E504 HydrophobicContact CE-CB 4.47Å; M475-E504 VanDerWaalsContact CE-CD 3.46Å; M475-E504 HydrophobicContact CE-CG 4.42Å; M475-E504 VanDerWaalsContact CE-OE2 3.27Å; M475-E504 WeakPolarHBondContact CE-OE2 3.26Å; M475-F507 HydrophobicContact CE-CB 4.27Å; M475-F507 HydrophobicContact CG-CB 4.2Å; M475-F507 WeakPolarHBondContact CG-O 3.13Å; M475-F507 HydrophobicContact SD-CB 3.78Å
476	D	89.3	Confident	87.8	Confident	115 Å²	115	53.6 Å²	53.6	62%	0.615	27%	0.271	S	S	*	.	H	α-helix	trans	-64.4	-41.8	177.6	-65.1	-36.4	0	0	0	111.7	N474 R479 S480	N474-D476 VanDerWaalsContact C-N 3.34Å; D476-R479 PolarHBondContact O-N 3.42Å; D476-R479 IonicContact OD1-NH1 3.81Å; D476-R479 PolarHBondContact OD1-NH1 2.97Å; D476-S480 PolarHBondContact O-N 3.37Å
477	G	87.5	Confident	87.5	Confident	20 Å²	20	56 Å²	56	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-42.4	171.5	0	0	0	0	0	112.5	N474 M475 S480 L481	N474-G477 PolarHBondContact OD1-N 2.67Å; M475-G477 PolarHBondContact O-N 3.25Å; G477-S480 WeakPolarHBondContact O-CB 3.46Å; G477-S480 PolarHBondContact O-N 3.32Å; G477-L481 PolarHBondContact O-N 3.06Å; G477-L481 VanDerWaalsContact O-N 3.14Å
478	A	90.2	Very high	86.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-43.9	177.1	0	0	0	0	0	112.6	A465 L468 A469 N474 M475 S480 L481 W482 L503	A465-A478 HydrophobicContact CB-CB 4.15Å; A465-A478 WeakPolarHBondContact O-CB 3.46Å; L468-A478 HydrophobicContact CB-CB 4.33Å; A469-A478 HydrophobicContact CB-CB 4.18Å; N474-A478 PolarHBondContact O-N 3.35Å; M475-A478 PolarHBondContact O-N 2.71Å; M475-A478 HydrophobicContact SD-CB 3.99Å; A478-S480 VanDerWaalsContact C-N 3.33Å; A478-S480 PolarHBondContact O-N 3.01Å; A478-L481 PolarHBondContact O-N 3.09Å; A478-W482 PolarHBondContact O-N 3.36Å; A478-L503 HydrophobicContact CB-CD2 4.17Å
479	R	94.4	Very high	86.1	Confident	46 Å²	46	58 Å²	58	17%	0.174	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-38.8	175.2	-69.8	167.3	-176.6	161.6	-8.8	111.5	M475 D476 W482 K483 E504 D509 S512	M475-R479 WeakPolarHBondContact O-CB 3.46Å; M475-R479 WeakPolarHBondContact O-CG 3.4Å; M475-R479 PolarHBondContact O-N 2.93Å; D476-R479 PolarHBondContact O-N 3.42Å; D476-R479 IonicContact OD1-NH1 3.81Å; D476-R479 PolarHBondContact OD1-NH1 2.97Å; R479-W482 PolarHBondContact O-N 2.87Å; R479-K483 WeakPolarHBondContact O-CG 3.19Å; R479-K483 PolarHBondContact O-N 2.98Å; R479-E504 IonicContact CZ-OE1 3.92Å; R479-E504 VanDerWaalsContact CZ-OE1 3.27Å; R479-E504 IonicContact NE-OE1 2.87Å; R479-E504 PolarHBondContact NE-OE1 2.88Å; R479-E504 IonicContact NE-OE2 3.37Å; R479-E504 IonicContact NH2-OE1 3.24Å; R479-E504 PolarHBondContact NH2-OE1 2.84Å; R479-D509 IonicContact CZ-OD2 3.26Å; R479-D509 IonicContact NH2-OD2 2.85Å; R479-D509 PolarHBondContact NH2-OD2 3.11Å; R479-S512 PolarHBondContact NH2-OG 3.4Å; R479-S512 VanDerWaalsContact NH2-OG 3.17Å
480	S	92.6	Very high	85.8	Confident	65 Å²	65	58.7 Å²	58.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-46.1	175.6	-168.5	0	0	0	0	111.9	D476 G477 A478 K483 E484	D476-S480 PolarHBondContact O-N 3.37Å; G477-S480 WeakPolarHBondContact O-CB 3.46Å; G477-S480 PolarHBondContact O-N 3.32Å; A478-S480 VanDerWaalsContact C-N 3.33Å; A478-S480 PolarHBondContact O-N 3.01Å; S480-K483 WeakPolarHBondContact O-CB 3.48Å; S480-K483 PolarHBondContact O-N 3.32Å; S480-E484 PolarHBondContact O-N 2.82Å
481	L	91.9	Very high	85.7	Confident	13 Å²	13	57 Å²	57	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-42.3	176.7	-71.7	169.6	0	0	0	112	R461 W464 A465 L468 G477 A478 K483 E484 V485	R461-L481 HydrophobicContact CB-CD2 4.42Å; R461-L481 HydrophobicContact CG-CD2 4.15Å; W464-L481 HydrophobicContact CB-CD1 3.82Å; W464-L481 HydrophobicContact CD2-CD1 3.64Å; W464-L481 HydrophobicContact CD2-CD2 4.12Å; W464-L481 HydrophobicContact CE3-CD1 4.08Å; W464-L481 HydrophobicContact CE3-CD2 3.69Å; W464-L481 HydrophobicContact CG-CD1 3.52Å; W464-L481 HydrophobicContact CZ3-CD2 4.02Å; A465-L481 HydrophobicContact CB-CB 4.02Å; A465-L481 HydrophobicContact CB-CD1 4.03Å; L468-L481 HydrophobicContact CD1-CD1 3.72Å; G477-L481 PolarHBondContact O-N 3.06Å; G477-L481 VanDerWaalsContact O-N 3.14Å; A478-L481 PolarHBondContact O-N 3.09Å; L481-K483 VanDerWaalsContact C-N 3.35Å; L481-K483 PolarHBondContact O-N 2.76Å; L481-E484 WeakPolarHBondContact O-CB 3.44Å; L481-E484 PolarHBondContact O-N 2.98Å; L481-E484 VanDerWaalsContact O-N 3.16Å; L481-V485 WeakPolarHBondContact O-CG2 3.26Å; L481-V485 PolarHBondContact O-N 2.97Å
482	W	93.8	Very high	86.2	Confident	8 Å²	8	59.3 Å²	59.3	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-38.6	175.7	-88.7	110.3	0	0	0	113	K462 A478 R479 E484 V485 M486 F496 D499 Y500	K462-W482 HydrophobicContact CD-CH2 3.93Å; K462-W482 HydrophobicContact CG-CH2 3.63Å; K462-W482 HydrophobicContact CG-CZ2 3.89Å; K462-W482 HydrophobicContact CG-CZ3 4.21Å; A478-W482 PolarHBondContact O-N 3.36Å; R479-W482 PolarHBondContact O-N 2.87Å; W482-E484 VanDerWaalsContact C-N 3.26Å; W482-E484 PolarHBondContact O-N 3.23Å; W482-V485 HydrophobicContact CE3-CB 4.2Å; W482-V485 HydrophobicContact CE3-CG1 4.11Å; W482-V485 HydrophobicContact CZ3-CG1 3.99Å; W482-V485 PolarHBondContact O-N 3.4Å; W482-M486 HydrophobicContact CE3-CG 4.44Å; W482-M486 HydrophobicContact CE3-SD 4.48Å; W482-M486 WeakPolarHBondContact O-CB 3.44Å; W482-M486 WeakPolarHBondContact O-CG 3.06Å; W482-M486 PolarHBondContact O-N 2.83Å; W482-F496 WeakPolarHBondContact CZ3-O 3.34Å; W482-D499 HydrophobicContact CH2-CB 3.39Å; W482-D499 HydrophobicContact CZ2-CB 3.87Å; W482-D499 HydrophobicContact CZ3-CB 4.41Å; W482-Y500 HydrophobicContact CB-CD1 3.9Å; W482-Y500 HydrophobicContact CB-CD2 3.77Å; W482-Y500 HydrophobicContact CB-CE1 3.71Å; W482-Y500 HydrophobicContact CB-CE2 3.65Å; W482-Y500 HydrophobicContact CB-CG 3.94Å; W482-Y500 AromaticContact CD1-CD2 3.41Å; W482-Y500 VanDerWaalsContact CD1-CD2 3.41Å; W482-Y500 AromaticContact CD1-CE2 3.68Å; W482-Y500 HydrophobicContact CD2-CD1 4.18Å; W482-Y500 AromaticContact CD2-CD2 3.67Å; W482-Y500 HydrophobicContact CD2-CD2 3.67Å; W482-Y500 HydrophobicContact CD2-CE2 4.44Å; W482-Y500 AromaticContact CD2-CG 3.56Å; W482-Y500 HydrophobicContact CD2-CG 3.56Å; W482-Y500 AromaticContact CE2-CD2 3.94Å; W482-Y500 HydrophobicContact CE3-CD1 4.21Å; W482-Y500 HydrophobicContact CE3-CD2 4.41Å; W482-Y500 AromaticContact CE3-CG 3.84Å; W482-Y500 HydrophobicContact CE3-CG 3.84Å; W482-Y500 HydrophobicContact CG-CD1 4.08Å; W482-Y500 AromaticContact CG-CD2 3.32Å; W482-Y500 HydrophobicContact CG-CD2 3.32Å; W482-Y500 HydrophobicContact CG-CE1 4.29Å; W482-Y500 AromaticContact CG-CE2 3.64Å; W482-Y500 HydrophobicContact CG-CE2 3.64Å; W482-Y500 AromaticContact CG-CG 3.61Å; W482-Y500 HydrophobicContact CG-CG 3.61Å; W482-Y500 AromaticContact NE1-CD2 3.75Å
483	K	91.9	Very high	86.8	Confident	137 Å²	137	59 Å²	59	60%	0.596	32%	0.322	S	S	*	.	H	α-helix	trans	-58.2	-38.7	173	-75.2	175.2	-178.4	-178.7	0	111.8	R479 S480 L481 K487	R479-K483 WeakPolarHBondContact O-CG 3.19Å; R479-K483 PolarHBondContact O-N 2.98Å; S480-K483 WeakPolarHBondContact O-CB 3.48Å; S480-K483 PolarHBondContact O-N 3.32Å; L481-K483 VanDerWaalsContact C-N 3.35Å; L481-K483 PolarHBondContact O-N 2.76Å; K483-K487 VanDerWaalsContact O-CG 3.32Å; K483-K487 WeakPolarHBondContact O-CG 3.44Å; K483-K487 PolarHBondContact O-N 3.35Å
484	E	89.3	Confident	87.3	Confident	85 Å²	85	52.5 Å²	52.5	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-47.8	173.9	-66.7	-177	-165.6	0	0	112.2	R461 S480 L481 W482 M486 K487	R461-E484 IonicContact CZ-OE2 3.32Å; R461-E484 IonicContact NE-OE2 2.75Å; R461-E484 PolarHBondContact NE-OE2 2.9Å; R461-E484 IonicContact NH2-OE2 2.95Å; S480-E484 PolarHBondContact O-N 2.82Å; L481-E484 WeakPolarHBondContact O-CB 3.44Å; L481-E484 PolarHBondContact O-N 2.98Å; L481-E484 VanDerWaalsContact O-N 3.16Å; W482-E484 VanDerWaalsContact C-N 3.26Å; W482-E484 PolarHBondContact O-N 3.23Å; E484-M486 VanDerWaalsContact C-N 3.28Å; E484-M486 PolarHBondContact O-N 3.4Å; E484-K487 PolarHBondContact O-N 3.1Å
485	V	89.9	Confident	87.5	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-42.2	178.7	172.4	0	0	0	0	111.1	R461 L481 W482 K487 G488 F496	R461-V485 HydrophobicContact CB-CG2 3.6Å; R461-V485 HydrophobicContact CG-CG2 4.41Å; L481-V485 WeakPolarHBondContact O-CG2 3.26Å; L481-V485 PolarHBondContact O-N 2.97Å; W482-V485 HydrophobicContact CE3-CB 4.2Å; W482-V485 HydrophobicContact CE3-CG1 4.11Å; W482-V485 HydrophobicContact CZ3-CG1 3.99Å; W482-V485 PolarHBondContact O-N 3.4Å; V485-K487 PolarHBondContact O-N 3.49Å; V485-G488 PolarHBondContact O-N 3.34Å; V485-F496 HydrophobicContact CG1-CD1 3.64Å; V485-F496 HydrophobicContact CG1-CE1 3.77Å
486	M	89.4	Confident	87.6	Confident	27 Å²	27	52 Å²	52	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-72	-28.8	-177.6	-65.3	-58.7	-80.6	0	0	113.4	W482 E484 G488 G491 F496 W497 Y500	W482-M486 HydrophobicContact CE3-CG 4.44Å; W482-M486 HydrophobicContact CE3-SD 4.48Å; W482-M486 WeakPolarHBondContact O-CB 3.44Å; W482-M486 WeakPolarHBondContact O-CG 3.06Å; W482-M486 PolarHBondContact O-N 2.83Å; E484-M486 VanDerWaalsContact C-N 3.28Å; E484-M486 PolarHBondContact O-N 3.4Å; M486-G488 VanDerWaalsContact C-N 3.26Å; M486-G488 PolarHBondContact O-N 3.18Å; M486-G491 PolarHBondContact O-N 2.91Å; M486-F496 HydrophobicContact SD-CB 4.03Å; M486-W497 HydrophobicContact CE-CD2 3.27Å; M486-W497 HydrophobicContact CE-CE3 3.71Å; M486-W497 HydrophobicContact CE-CG 3.76Å; M486-W497 HydrophobicContact CE-CH2 3.8Å; M486-W497 HydrophobicContact CE-CZ2 3.39Å; M486-W497 HydrophobicContact CE-CZ3 3.96Å; M486-Y500 HydrophobicContact CG-CD1 4.49Å
487	K	84.1	Confident	87.8	Confident	181 Å²	181	46.7 Å²	46.7	79%	0.787	26%	0.261	S	S	*	.	H	α-helix	trans	-66.8	-23.9	174.9	-78.2	175	-178.9	-178.2	0	113.1	K483 E484 V485 G489	K483-K487 VanDerWaalsContact O-CG 3.32Å; K483-K487 WeakPolarHBondContact O-CG 3.44Å; K483-K487 PolarHBondContact O-N 3.35Å; E484-K487 PolarHBondContact O-N 3.1Å; V485-K487 PolarHBondContact O-N 3.49Å; K487-G489 PolarHBondContact O-N 3.49Å
488	G	72.1	Confident	88.1	Confident	69 Å²	69	46.7 Å²	46.7	71%	0.711	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	10.2	-178.4	0	0	0	0	0	116.4	V485 M486	V485-G488 PolarHBondContact O-N 3.34Å; M486-G488 VanDerWaalsContact C-N 3.26Å; M486-G488 PolarHBondContact O-N 3.18Å
489	G	71.6	Confident	88.3	Confident	44 Å²	44	50.3 Å²	50.3	45%	0.454	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-8.5	-175.5	0	0	0	0	0	114.2	K487 G491	K487-G489 PolarHBondContact O-N 3.49Å; G489-G491 PolarHBondContact O-N 3.44Å
490	S	79.7	Confident	88.3	Confident	17 Å²	17	49 Å²	49	12%	0.119	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68.5	-15.8	177.8	-54.2	0	0	0	0	114.1	R492 L493 F496	S490-R492 PolarHBondContact O-N 2.92Å; S490-L493 WeakPolarHBondContact O-CG 3.28Å; S490-L493 PolarHBondContact O-N 3.49Å; S490-F496 VanDerWaalsContact CB-CD1 3.41Å; S490-F496 WeakPolarHBondContact OG-CE1 3.49Å
491	G	82.8	Confident	88.5	Confident	10 Å²	10	46 Å²	46	10%	0.103	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59.3	-12	175.4	0	0	0	0	0	115.1	M486 G489 W497 S523	M486-G491 PolarHBondContact O-N 2.91Å; G489-G491 PolarHBondContact O-N 3.44Å; G491-W497 PolarHBondContact O-NE1 2.84Å; G491-S523 CarbonylContact O-C 3.49Å; G491-S523 VanDerWaalsContact O-CB 3.25Å; G491-S523 WeakPolarHBondContact O-CB 3.43Å
492	R	86.3	Confident	88.6	Confident	149 Å²	149	50.1 Å²	50.1	56%	0.562	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-84.9	-11.9	173.1	-61.8	-179.5	-169.5	171.4	5.8	113.6	S490 T525 R1160	S490-R492 PolarHBondContact O-N 2.92Å; R492-T525 PolarHBondContact O-N 3.39Å; R492-T525 VanDerWaalsContact O-N 3.12Å; R492-T525 PolarHBondContact O-OG1 3.24Å; R492-R1160 PolarHBondContact O-NH1 3.1Å; R492-R1160 PolarHBondContact O-NH2 3.32Å
493	L	88.2	Confident	88.6	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.115	26%	0.264	C	S	.	.			trans	-103.1	127.9	-174.6	1.2	-174.5	0	0	0	114.4	S490 S495 F496 W497 R1160	S490-L493 WeakPolarHBondContact O-CG 3.28Å; S490-L493 PolarHBondContact O-N 3.49Å; L493-S495 VanDerWaalsContact C-N 3.26Å; L493-S495 PolarHBondContact O-N 3.16Å; L493-F496 HydrophobicContact CB-CD2 4.16Å; L493-F496 HydrophobicContact CD1-CD2 3.56Å; L493-F496 HydrophobicContact CD1-CE2 3.49Å; L493-F496 VanDerWaalsContact CD1-CE2 3.49Å; L493-F496 HydrophobicContact CG-CD2 3.77Å; L493-F496 HydrophobicContact CG-CE2 4.16Å; L493-F496 PolarHBondContact O-N 3.37Å; L493-W497 PolarHBondContact O-N 2.86Å; L493-R1160 VanDerWaalsContact CB-NH1 3.31Å
494	A	90.4	Very high	88.7	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-39.7	177.2	0	0	0	0	0	111.8	F496 W497 M498 V524 D526 F527 V531	A494-F496 PolarHBondContact O-N 3Å; A494-W497 PolarHBondContact O-N 3.27Å; A494-M498 WeakPolarHBondContact O-CB 3.45Å; A494-M498 VanDerWaalsContact O-CG 3.29Å; A494-M498 WeakPolarHBondContact O-CG 3.45Å; A494-M498 PolarHBondContact O-N 2.89Å; A494-V524 HydrophobicContact CB-CG1 3.83Å; A494-D526 PolarHBondContact N-OD1 2.9Å; A494-D526 VanDerWaalsContact N-OD1 3.15Å; A494-D526 PolarHBondContact N-OD2 3.1Å; A494-F527 HydrophobicContact CB-CB 4.11Å; A494-V531 HydrophobicContact CB-CG2 4.23Å
495	S	90.9	Very high	88.9	Confident	60 Å²	60	42.1 Å²	42.1	42%	0.42	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-45.7	-179	52.8	0	0	0	0	113.1	L493 M498 D499	L493-S495 VanDerWaalsContact C-N 3.26Å; L493-S495 PolarHBondContact O-N 3.16Å; S495-M498 PolarHBondContact O-N 3.22Å; S495-D499 PolarHBondContact O-N 2.85Å
496	F	92.7	Very high	89	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.053	25%	0.246	C	C	.	.	H	α-helix	trans	-67.5	-40.9	179.6	-79.8	-104.1	0	0	0	112.6	D457 K462 W482 V485 M486 S490 L493 A494 D499 Y500	D457-F496 WeakPolarHBondContact O-CE1 3.38Å; D457-F496 VanDerWaalsContact O-CZ 3.3Å; D457-F496 WeakPolarHBondContact O-CZ 3.29Å; K462-F496 VanDerWaalsContact CE-CD1 3.49Å; W482-F496 WeakPolarHBondContact CZ3-O 3.34Å; V485-F496 HydrophobicContact CG1-CD1 3.64Å; V485-F496 HydrophobicContact CG1-CE1 3.77Å; M486-F496 HydrophobicContact SD-CB 4.03Å; S490-F496 VanDerWaalsContact CB-CD1 3.41Å; S490-F496 WeakPolarHBondContact OG-CE1 3.49Å; L493-F496 HydrophobicContact CB-CD2 4.16Å; L493-F496 HydrophobicContact CD1-CD2 3.56Å; L493-F496 HydrophobicContact CD1-CE2 3.49Å; L493-F496 VanDerWaalsContact CD1-CE2 3.49Å; L493-F496 HydrophobicContact CG-CD2 3.77Å; L493-F496 HydrophobicContact CG-CE2 4.16Å; L493-F496 PolarHBondContact O-N 3.37Å; A494-F496 PolarHBondContact O-N 3Å; F496-D499 PolarHBondContact O-N 3.24Å; F496-Y500 PolarHBondContact O-N 3.35Å; F496-Y500 VanDerWaalsContact O-N 3.12Å
497	W	94.4	Very high	89.1	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-44.5	173.5	-78.8	104.5	0	0	0	111.6	M486 G491 L493 A494 Y500 I501 L516 M519 A520 V524 F631	M486-W497 HydrophobicContact CE-CD2 3.27Å; M486-W497 HydrophobicContact CE-CE3 3.71Å; M486-W497 HydrophobicContact CE-CG 3.76Å; M486-W497 HydrophobicContact CE-CH2 3.8Å; M486-W497 HydrophobicContact CE-CZ2 3.39Å; M486-W497 HydrophobicContact CE-CZ3 3.96Å; G491-W497 PolarHBondContact O-NE1 2.84Å; L493-W497 PolarHBondContact O-N 2.86Å; A494-W497 PolarHBondContact O-N 3.27Å; W497-Y500 PolarHBondContact O-N 3.27Å; W497-I501 HydrophobicContact CB-CD1 4.39Å; W497-I501 WeakPolarHBondContact O-CB 3.26Å; W497-I501 WeakPolarHBondContact O-CD1 3.17Å; W497-I501 WeakPolarHBondContact O-CG1 3.14Å; W497-I501 PolarHBondContact O-N 3.23Å; W497-L516 HydrophobicContact CZ3-CD2 3.95Å; W497-M519 HydrophobicContact CH2-CB 3.42Å; W497-M519 VanDerWaalsContact CH2-CB 3.42Å; W497-M519 HydrophobicContact CH2-CG 4.49Å; W497-M519 HydrophobicContact CH2-SD 4.3Å; W497-M519 HydrophobicContact CZ2-CB 4.24Å; W497-M519 HydrophobicContact CZ3-CB 3.78Å; W497-A520 HydrophobicContact CB-CB 3.87Å; W497-A520 HydrophobicContact CD2-CB 3.4Å; W497-A520 VanDerWaalsContact CD2-CB 3.4Å; W497-A520 HydrophobicContact CE3-CB 3.59Å; W497-A520 HydrophobicContact CG-CB 3.56Å; W497-A520 HydrophobicContact CZ3-CB 4.31Å; W497-V524 HydrophobicContact CG-CG2 4.05Å; W497-F631 HydrophobicContact CH2-CZ 4.17Å; W497-F631 HydrophobicContact CZ2-CE1 4.17Å; W497-F631 HydrophobicContact CZ2-CZ 4.06Å
498	M	94.1	Very high	89.4	Confident	19 Å²	19	41.3 Å²	41.3	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-44.7	179.1	-69.7	-49	-52.5	0	0	111.6	A494 S495 Y500 I501 W502 V530 V531 E534	A494-M498 WeakPolarHBondContact O-CB 3.45Å; A494-M498 VanDerWaalsContact O-CG 3.29Å; A494-M498 WeakPolarHBondContact O-CG 3.45Å; A494-M498 PolarHBondContact O-N 2.89Å; S495-M498 PolarHBondContact O-N 3.22Å; M498-Y500 VanDerWaalsContact C-N 3.31Å; M498-Y500 PolarHBondContact O-N 3.03Å; M498-I501 PolarHBondContact O-N 2.95Å; M498-W502 WeakPolarHBondContact O-CB 3.4Å; M498-W502 PolarHBondContact O-N 2.95Å; M498-V530 HydrophobicContact CG-CG1 4.15Å; M498-V530 HydrophobicContact SD-CG1 4.43Å; M498-V531 HydrophobicContact SD-CG2 4.23Å; M498-E534 HydrophobicContact CE-CB 3.8Å; M498-E534 HydrophobicContact CE-CG 3.59Å; M498-E534 HydrophobicContact SD-CB 4.28Å; M498-E534 HydrophobicContact SD-CG 4.34Å
499	D	93	Very high	90.3	Very high	76 Å²	76	41.4 Å²	41.4	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-56.5	-44.6	175.2	-74.2	-15.5	0	0	0	111.9	K462 W482 S495 F496 W502 L503	K462-D499 IonicContact NZ-OD2 2.68Å; K462-D499 PolarHBondContact NZ-OD2 3.06Å; W482-D499 HydrophobicContact CH2-CB 3.39Å; W482-D499 HydrophobicContact CZ2-CB 3.87Å; W482-D499 HydrophobicContact CZ3-CB 4.41Å; S495-D499 PolarHBondContact O-N 2.85Å; F496-D499 PolarHBondContact O-N 3.24Å; D499-W502 PolarHBondContact O-N 2.86Å; D499-L503 PolarHBondContact O-N 3.44Å; D499-L503 VanDerWaalsContact O-N 3.08Å
500	Y	95.6	Very high	91.1	Very high	19 Å²	19	42.6 Å²	42.6	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-48.6	179.5	-171.8	-169.2	0	0	0	111.7	W482 M486 F496 W497 M498 W502 L503 E504 L516	W482-Y500 HydrophobicContact CB-CD1 3.9Å; W482-Y500 HydrophobicContact CB-CD2 3.77Å; W482-Y500 HydrophobicContact CB-CE1 3.71Å; W482-Y500 HydrophobicContact CB-CE2 3.65Å; W482-Y500 HydrophobicContact CB-CG 3.94Å; W482-Y500 AromaticContact CD1-CD2 3.41Å; W482-Y500 VanDerWaalsContact CD1-CD2 3.41Å; W482-Y500 AromaticContact CD1-CE2 3.68Å; W482-Y500 HydrophobicContact CD2-CD1 4.18Å; W482-Y500 AromaticContact CD2-CD2 3.67Å; W482-Y500 HydrophobicContact CD2-CD2 3.67Å; W482-Y500 HydrophobicContact CD2-CE2 4.44Å; W482-Y500 AromaticContact CD2-CG 3.56Å; W482-Y500 HydrophobicContact CD2-CG 3.56Å; W482-Y500 AromaticContact CE2-CD2 3.94Å; W482-Y500 HydrophobicContact CE3-CD1 4.21Å; W482-Y500 HydrophobicContact CE3-CD2 4.41Å; W482-Y500 AromaticContact CE3-CG 3.84Å; W482-Y500 HydrophobicContact CE3-CG 3.84Å; W482-Y500 HydrophobicContact CG-CD1 4.08Å; W482-Y500 AromaticContact CG-CD2 3.32Å; W482-Y500 HydrophobicContact CG-CD2 3.32Å; W482-Y500 HydrophobicContact CG-CE1 4.29Å; W482-Y500 AromaticContact CG-CE2 3.64Å; W482-Y500 HydrophobicContact CG-CE2 3.64Å; W482-Y500 AromaticContact CG-CG 3.61Å; W482-Y500 HydrophobicContact CG-CG 3.61Å; W482-Y500 AromaticContact NE1-CD2 3.75Å; M486-Y500 HydrophobicContact CG-CD1 4.49Å; F496-Y500 PolarHBondContact O-N 3.35Å; F496-Y500 VanDerWaalsContact O-N 3.12Å; W497-Y500 PolarHBondContact O-N 3.27Å; M498-Y500 VanDerWaalsContact C-N 3.31Å; M498-Y500 PolarHBondContact O-N 3.03Å; Y500-W502 PolarHBondContact O-N 3.09Å; Y500-L503 WeakPolarHBondContact O-CB 3.44Å; Y500-L503 PolarHBondContact O-N 3.38Å; Y500-L503 VanDerWaalsContact O-N 3.09Å; Y500-E504 PolarHBondContact O-N 2.99Å; Y500-L516 HydrophobicContact CD1-CD1 4.1Å; Y500-L516 HydrophobicContact CD1-CD2 3.53Å; Y500-L516 HydrophobicContact CD1-CG 4.47Å; Y500-L516 HydrophobicContact CD2-CD1 4.02Å; Y500-L516 HydrophobicContact CE1-CD1 4.03Å; Y500-L516 HydrophobicContact CE1-CD2 3.19Å; Y500-L516 HydrophobicContact CE1-CG 4.26Å; Y500-L516 HydrophobicContact CE2-CD1 3.9Å; Y500-L516 HydrophobicContact CG-CD1 4.08Å; Y500-L516 HydrophobicContact CG-CD2 4.34Å
501	I	95.4	Very high	91.6	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-40.9	177.1	-72.6	163.5	0	0	0	110.6	W497 M498 E504 R505 V513 L516 F517 A520	W497-I501 HydrophobicContact CB-CD1 4.39Å; W497-I501 WeakPolarHBondContact O-CB 3.26Å; W497-I501 WeakPolarHBondContact O-CD1 3.17Å; W497-I501 WeakPolarHBondContact O-CG1 3.14Å; W497-I501 PolarHBondContact O-N 3.23Å; M498-I501 PolarHBondContact O-N 2.95Å; I501-E504 PolarHBondContact O-N 2.99Å; I501-R505 VanDerWaalsContact O-CB 3.24Å; I501-R505 WeakPolarHBondContact O-CB 3.5Å; I501-R505 PolarHBondContact O-N 3.32Å; I501-V513 HydrophobicContact CG2-CG1 4.33Å; I501-L516 HydrophobicContact CD1-CB 4.46Å; I501-L516 HydrophobicContact CG1-CB 3.71Å; I501-L516 HydrophobicContact CG1-CD1 4.35Å; I501-F517 HydrophobicContact CD1-CD1 3.67Å; I501-F517 HydrophobicContact CD1-CE1 3.83Å; I501-F517 HydrophobicContact CD1-CG 4.15Å; I501-F517 HydrophobicContact CD1-CZ 4.44Å; I501-F517 HydrophobicContact CG2-CD2 4.3Å; I501-F517 HydrophobicContact CG2-CE1 3.93Å; I501-F517 HydrophobicContact CG2-CE2 3.65Å; I501-F517 HydrophobicContact CG2-CZ 3.45Å; I501-F517 VanDerWaalsContact CG2-CZ 3.45Å; I501-A520 HydrophobicContact CD1-CB 4.28Å
502	W	94.2	Very high	92	Very high	100 Å²	100	45.6 Å²	45.6	38%	0.379	23%	0.234	S	C	.	.	H	α-helix	trans	-67.4	-36.8	177.3	-86.4	113.7	0	0	0	113	M498 D499 Y500 Q506	M498-W502 WeakPolarHBondContact O-CB 3.4Å; M498-W502 PolarHBondContact O-N 2.95Å; D499-W502 PolarHBondContact O-N 2.86Å; Y500-W502 PolarHBondContact O-N 3.09Å; W502-Q506 WeakPolarHBondContact O-CB 3.3Å; W502-Q506 VanDerWaalsContact O-CG 3.24Å; W502-Q506 WeakPolarHBondContact O-CG 3.34Å; W502-Q506 PolarHBondContact O-N 2.82Å; W502-Q506 VanDerWaalsContact O-N 3.1Å
503	L	94.1	Very high	92.4	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-48.5	172.8	-173.2	76	0	0	0	110.7	A465 R466 A469 A478 D499 Y500 R505 Q506 F507	A465-L503 HydrophobicContact CB-CD2 4.17Å; R466-L503 HydrophobicContact CB-CD1 4.11Å; R466-L503 HydrophobicContact CG-CD1 4.01Å; A469-L503 HydrophobicContact CB-CD1 3.93Å; A469-L503 HydrophobicContact CB-CD2 4.31Å; A469-L503 HydrophobicContact CB-CG 4.25Å; A478-L503 HydrophobicContact CB-CD2 4.17Å; D499-L503 PolarHBondContact O-N 3.44Å; D499-L503 VanDerWaalsContact O-N 3.08Å; Y500-L503 WeakPolarHBondContact O-CB 3.44Å; Y500-L503 PolarHBondContact O-N 3.38Å; Y500-L503 VanDerWaalsContact O-N 3.09Å; L503-R505 VanDerWaalsContact C-N 3.32Å; L503-R505 PolarHBondContact O-N 3.22Å; L503-Q506 PolarHBondContact O-N 3.44Å; L503-Q506 VanDerWaalsContact O-N 3.09Å; L503-F507 HydrophobicContact CD1-CD2 3.71Å; L503-F507 HydrophobicContact CD1-CE2 3.9Å; L503-F507 HydrophobicContact CG-CD2 4.32Å; L503-F507 PolarHBondContact O-N 3.18Å
504	E	94.9	Very high	92.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-38.1	179.9	-159.8	71.9	-143.3	0	0	111.4	M475 R479 Y500 I501 Q506 G508 S512 V513 L516	M475-E504 HydrophobicContact CE-CB 4.47Å; M475-E504 VanDerWaalsContact CE-CD 3.46Å; M475-E504 HydrophobicContact CE-CG 4.42Å; M475-E504 VanDerWaalsContact CE-OE2 3.27Å; M475-E504 WeakPolarHBondContact CE-OE2 3.26Å; R479-E504 IonicContact CZ-OE1 3.92Å; R479-E504 VanDerWaalsContact CZ-OE1 3.27Å; R479-E504 IonicContact NE-OE1 2.87Å; R479-E504 PolarHBondContact NE-OE1 2.88Å; R479-E504 IonicContact NE-OE2 3.37Å; R479-E504 IonicContact NH2-OE1 3.24Å; R479-E504 PolarHBondContact NH2-OE1 2.84Å; Y500-E504 PolarHBondContact O-N 2.99Å; I501-E504 PolarHBondContact O-N 2.99Å; E504-Q506 VanDerWaalsContact C-N 3.28Å; E504-Q506 PolarHBondContact O-N 3.4Å; E504-G508 CarbonylContact O-C 3.51Å; E504-G508 WeakPolarHBondContact O-CA 3.03Å; E504-G508 PolarHBondContact O-N 3.16Å; E504-G508 WeakPolarHBondContact OE1-CA 3.42Å; E504-S512 VanDerWaalsContact OE1-CB 3.27Å; E504-S512 WeakPolarHBondContact OE1-CB 3.45Å; E504-V513 HydrophobicContact CB-CG2 3.9Å; E504-V513 HydrophobicContact CG-CG2 3.75Å; E504-L516 HydrophobicContact CB-CD1 3.73Å; E504-L516 HydrophobicContact CG-CD1 3.88Å
505	R	93.1	Very high	92.6	Very high	52 Å²	52	44 Å²	44	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-69.9	-23.6	175.4	-167.1	173.6	-179.6	-176.8	-2.5	113.2	I501 L503 V513 E541	I501-R505 VanDerWaalsContact O-CB 3.24Å; I501-R505 WeakPolarHBondContact O-CB 3.5Å; I501-R505 PolarHBondContact O-N 3.32Å; L503-R505 VanDerWaalsContact C-N 3.32Å; L503-R505 PolarHBondContact O-N 3.22Å; R505-V513 HydrophobicContact CB-CG2 4.15Å; R505-E541 IonicContact CZ-OE2 2.71Å; R505-E541 VanDerWaalsContact NH2-CD 3.32Å; R505-E541 IonicContact NH2-OE1 3.83Å; R505-E541 PolarHBondContact NH2-OE1 2.86Å; R505-E541 IonicContact NH2-OE2 3.52Å; R505-E541 PolarHBondContact NH2-OE2 3.47Å
506	Q	92.2	Very high	92.7	Very high	95 Å²	95	41.3 Å²	41.3	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-85.1	-38.5	178.1	-77.4	177.1	13.8	0	0	112.9	W502 L503 E504	W502-Q506 WeakPolarHBondContact O-CB 3.3Å; W502-Q506 VanDerWaalsContact O-CG 3.24Å; W502-Q506 WeakPolarHBondContact O-CG 3.34Å; W502-Q506 PolarHBondContact O-N 2.82Å; W502-Q506 VanDerWaalsContact O-N 3.1Å; L503-Q506 PolarHBondContact O-N 3.44Å; L503-Q506 VanDerWaalsContact O-N 3.09Å; E504-Q506 VanDerWaalsContact C-N 3.28Å; E504-Q506 PolarHBondContact O-N 3.4Å
507	F	91.7	Very high	92.8	Very high	71 Å²	71	40.8 Å²	40.8	31%	0.311	21%	0.214	S	C	.	.	H	α-helix	trans	-130.4	-12.7	-169.1	-55.4	-72.9	0	0	0	114.8	A469 M475 L503	A469-F507 HydrophobicContact CB-CB 3.9Å; A469-F507 HydrophobicContact CB-CD2 3.67Å; A469-F507 HydrophobicContact CB-CE2 4.4Å; A469-F507 HydrophobicContact CB-CG 3.83Å; M475-F507 HydrophobicContact CE-CB 4.27Å; M475-F507 HydrophobicContact CG-CB 4.2Å; M475-F507 WeakPolarHBondContact CG-O 3.13Å; M475-F507 HydrophobicContact SD-CB 3.78Å; L503-F507 HydrophobicContact CD1-CD2 3.71Å; L503-F507 HydrophobicContact CD1-CE2 3.9Å; L503-F507 HydrophobicContact CG-CD2 4.32Å; L503-F507 PolarHBondContact O-N 3.18Å
508	G	90.9	Very high	92.6	Very high	33 Å²	33	42.5 Å²	42.5	34%	0.34	23%	0.227	S	C	.	.	S	Bend	trans	-97.5	-154.7	-175.3	0	0	0	0	0	113.1	E504	E504-G508 CarbonylContact O-C 3.51Å; E504-G508 WeakPolarHBondContact O-CA 3.03Å; E504-G508 PolarHBondContact O-N 3.16Å; E504-G508 WeakPolarHBondContact OE1-CA 3.42Å
509	D	90.9	Very high	92.5	Very high	70 Å²	70	44 Å²	44	37%	0.374	23%	0.234	S	C	.	.			trans	-116.5	157.7	-178.6	63.2	64.5	0	0	0	112.7	R479 A511 S512 V513	R479-D509 IonicContact CZ-OD2 3.26Å; R479-D509 IonicContact NH2-OD2 2.85Å; R479-D509 PolarHBondContact NH2-OD2 3.11Å; D509-A511 VanDerWaalsContact C-N 3.3Å; D509-A511 PolarHBondContact O-N 3Å; D509-A511 PolarHBondContact OD1-N 3.48Å; D509-S512 VanDerWaalsContact CG-OG 3.24Å; D509-S512 PolarHBondContact O-N 2.95Å; D509-S512 VanDerWaalsContact OD1-CB 3.25Å; D509-S512 WeakPolarHBondContact OD1-CB 3.2Å; D509-S512 PolarHBondContact OD1-N 2.98Å; D509-S512 PolarHBondContact OD1-OG 3.02Å; D509-S512 PolarHBondContact OD2-OG 2.63Å; D509-V513 WeakPolarHBondContact O-CG2 3.46Å; D509-V513 PolarHBondContact O-N 3Å
510	H	87.2	Confident	92.5	Very high	70 Å²	70	40.4 Å²	40.4	32%	0.324	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-40.2	-177.9	176.4	-94.9	0	0	0	113.2	S512 V513 A514 F538 E542	H510-S512 PolarHBondContact O-N 3.23Å; H510-V513 PolarHBondContact O-N 3.16Å; H510-A514 PolarHBondContact O-N 3.42Å; H510-F538 AromaticContact CD2-CE2 3.64Å; H510-F538 AromaticContact CD2-CZ 3.29Å; H510-F538 WeakPolarHBondContact CD2-CZ 2.68Å; H510-F538 AromaticContact NE2-CE1 3.83Å; H510-F538 AromaticContact NE2-CE2 3.89Å; H510-F538 AromaticContact NE2-CZ 3.23Å; H510-F538 WeakPolarHBondContact NE2-CZ 3.28Å; H510-E542 WeakPolarHBondContact CD2-CB 3.27Å; H510-E542 IonicContact CD2-OE2 3.27Å; H510-E542 PolarHBondContact CD2-OE2 3.08Å; H510-E542 VanDerWaalsContact CD2-OE2 3.29Å; H510-E542 WeakPolarHBondContact NE2-CB 3.47Å; H510-E542 PolarHBondContact NE2-O 3.46Å
511	A	89.9	Confident	92.2	Very high	67 Å²	67	40.1 Å²	40.1	55%	0.554	22%	0.215	S	C	*	.	H	α-helix	trans	-64.3	-43.6	-177.1	0	0	0	0	0	111	D509 A514 E515	D509-A511 VanDerWaalsContact C-N 3.3Å; D509-A511 PolarHBondContact O-N 3Å; D509-A511 PolarHBondContact OD1-N 3.48Å; A511-A514 PolarHBondContact O-N 3.12Å; A511-E515 PolarHBondContact O-N 3.29Å
512	S	92.6	Very high	91.9	Very high	22 Å²	22	45.4 Å²	45.4	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-41.9	176.9	-58.2	0	0	0	0	111.5	R479 E504 D509 H510 A514 E515 L516	R479-S512 PolarHBondContact NH2-OG 3.4Å; R479-S512 VanDerWaalsContact NH2-OG 3.17Å; E504-S512 VanDerWaalsContact OE1-CB 3.27Å; E504-S512 WeakPolarHBondContact OE1-CB 3.45Å; D509-S512 VanDerWaalsContact CG-OG 3.24Å; D509-S512 PolarHBondContact O-N 2.95Å; D509-S512 VanDerWaalsContact OD1-CB 3.25Å; D509-S512 WeakPolarHBondContact OD1-CB 3.2Å; D509-S512 PolarHBondContact OD1-N 2.98Å; D509-S512 PolarHBondContact OD1-OG 3.02Å; D509-S512 PolarHBondContact OD2-OG 2.63Å; H510-S512 PolarHBondContact O-N 3.23Å; S512-A514 PolarHBondContact O-N 3.46Å; S512-E515 PolarHBondContact O-N 3.1Å; S512-L516 VanDerWaalsContact O-CG 3.27Å; S512-L516 WeakPolarHBondContact O-CG 3.2Å; S512-L516 PolarHBondContact O-N 3.35Å
513	V	93.5	Very high	91.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-44.9	175.6	177.8	0	0	0	0	111.3	I501 E504 R505 D509 H510 E515 L516 F517 F538	I501-V513 HydrophobicContact CG2-CG1 4.33Å; E504-V513 HydrophobicContact CB-CG2 3.9Å; E504-V513 HydrophobicContact CG-CG2 3.75Å; R505-V513 HydrophobicContact CB-CG2 4.15Å; D509-V513 WeakPolarHBondContact O-CG2 3.46Å; D509-V513 PolarHBondContact O-N 3Å; H510-V513 PolarHBondContact O-N 3.16Å; V513-E515 VanDerWaalsContact C-N 3.33Å; V513-E515 PolarHBondContact O-N 3.46Å; V513-L516 PolarHBondContact O-N 2.97Å; V513-F517 HydrophobicContact CG1-CD2 3.79Å; V513-F517 HydrophobicContact CG1-CE2 3.61Å; V513-F517 VanDerWaalsContact O-CD2 3.31Å; V513-F517 WeakPolarHBondContact O-CD2 3.24Å; V513-F517 PolarHBondContact O-N 2.83Å; V513-F538 HydrophobicContact CB-CE2 3.84Å; V513-F538 HydrophobicContact CB-CZ 3.78Å; V513-F538 HydrophobicContact CG1-CD1 4.39Å; V513-F538 HydrophobicContact CG1-CD2 3.68Å; V513-F538 HydrophobicContact CG1-CE1 4.09Å; V513-F538 HydrophobicContact CG1-CE2 3.32Å; V513-F538 HydrophobicContact CG1-CG 4.19Å; V513-F538 HydrophobicContact CG1-CZ 3.54Å
514	A	90.3	Very high	91.4	Very high	21 Å²	21	41.5 Å²	41.5	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-41.3	178.3	0	0	0	0	0	112.1	H510 A511 S512 S518 F538	H510-A514 PolarHBondContact O-N 3.42Å; A511-A514 PolarHBondContact O-N 3.12Å; S512-A514 PolarHBondContact O-N 3.46Å; A514-S518 PolarHBondContact O-N 3.13Å; A514-S518 VanDerWaalsContact O-N 3.1Å; A514-F538 HydrophobicContact CB-CE1 3.84Å; A514-F538 HydrophobicContact CB-CZ 4.24Å
515	E	92	Very high	90.9	Very high	118 Å²	118	45.8 Å²	45.8	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-63.6	-45.6	176.4	-163	-174.3	164.5	0	0	111.6	A511 S512 V513 F517 S518 M519	A511-E515 PolarHBondContact O-N 3.29Å; S512-E515 PolarHBondContact O-N 3.1Å; V513-E515 VanDerWaalsContact C-N 3.33Å; V513-E515 PolarHBondContact O-N 3.46Å; E515-F517 PolarHBondContact O-N 3.08Å; E515-S518 WeakPolarHBondContact O-CB 3.36Å; E515-S518 PolarHBondContact O-N 3.16Å; E515-S518 VanDerWaalsContact O-N 3.13Å; E515-M519 HydrophobicContact CB-CE 4.47Å; E515-M519 HydrophobicContact CG-CE 3.84Å; E515-M519 PolarHBondContact O-N 3.26Å
516	L	94.6	Very high	90.5	Very high	5 Å²	5	44 Å²	44	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-43.8	177.3	-71	174.9	0	0	0	112.6	W497 Y500 I501 E504 S512 V513 S518 M519 A520	W497-L516 HydrophobicContact CZ3-CD2 3.95Å; Y500-L516 HydrophobicContact CD1-CD1 4.1Å; Y500-L516 HydrophobicContact CD1-CD2 3.53Å; Y500-L516 HydrophobicContact CD1-CG 4.47Å; Y500-L516 HydrophobicContact CD2-CD1 4.02Å; Y500-L516 HydrophobicContact CE1-CD1 4.03Å; Y500-L516 HydrophobicContact CE1-CD2 3.19Å; Y500-L516 HydrophobicContact CE1-CG 4.26Å; Y500-L516 HydrophobicContact CE2-CD1 3.9Å; Y500-L516 HydrophobicContact CG-CD1 4.08Å; Y500-L516 HydrophobicContact CG-CD2 4.34Å; I501-L516 HydrophobicContact CD1-CB 4.46Å; I501-L516 HydrophobicContact CG1-CB 3.71Å; I501-L516 HydrophobicContact CG1-CD1 4.35Å; E504-L516 HydrophobicContact CB-CD1 3.73Å; E504-L516 HydrophobicContact CG-CD1 3.88Å; S512-L516 VanDerWaalsContact O-CG 3.27Å; S512-L516 WeakPolarHBondContact O-CG 3.2Å; S512-L516 PolarHBondContact O-N 3.35Å; V513-L516 PolarHBondContact O-N 2.97Å; L516-S518 VanDerWaalsContact C-N 3.32Å; L516-S518 PolarHBondContact O-N 2.96Å; L516-M519 HydrophobicContact CD2-CE 3.79Å; L516-M519 PolarHBondContact O-N 3.37Å; L516-A520 VanDerWaalsContact O-CB 3.24Å; L516-A520 WeakPolarHBondContact O-CB 3.5Å; L516-A520 PolarHBondContact O-N 3.42Å
517	F	94.6	Very high	90.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-41.3	174.2	-84.3	-62	0	0	0	112.2	I501 V513 E515 A520 S521 V531 E534 W535 F538	I501-F517 HydrophobicContact CD1-CD1 3.67Å; I501-F517 HydrophobicContact CD1-CE1 3.83Å; I501-F517 HydrophobicContact CD1-CG 4.15Å; I501-F517 HydrophobicContact CD1-CZ 4.44Å; I501-F517 HydrophobicContact CG2-CD2 4.3Å; I501-F517 HydrophobicContact CG2-CE1 3.93Å; I501-F517 HydrophobicContact CG2-CE2 3.65Å; I501-F517 HydrophobicContact CG2-CZ 3.45Å; I501-F517 VanDerWaalsContact CG2-CZ 3.45Å; V513-F517 HydrophobicContact CG1-CD2 3.79Å; V513-F517 HydrophobicContact CG1-CE2 3.61Å; V513-F517 VanDerWaalsContact O-CD2 3.31Å; V513-F517 WeakPolarHBondContact O-CD2 3.24Å; V513-F517 PolarHBondContact O-N 2.83Å; E515-F517 PolarHBondContact O-N 3.08Å; F517-A520 PolarHBondContact O-N 3.11Å; F517-S521 VanDerWaalsContact O-CB 3.31Å; F517-S521 WeakPolarHBondContact O-CB 3.5Å; F517-S521 PolarHBondContact O-N 3.16Å; F517-V531 HydrophobicContact CD1-CG1 4.27Å; F517-E534 HydrophobicContact CE1-CB 3.8Å; F517-E534 HydrophobicContact CZ-CB 4.08Å; F517-W535 HydrophobicContact CB-CB 4.05Å; F517-W535 HydrophobicContact CB-CD2 4.04Å; F517-W535 HydrophobicContact CB-CG 3.55Å; F517-W535 HydrophobicContact CD1-CB 3.44Å; F517-W535 VanDerWaalsContact CD1-CB 3.44Å; F517-W535 AromaticContact CD1-CG 3.94Å; F517-W535 HydrophobicContact CD1-CG 3.94Å; F517-W535 AromaticContact CD2-CD1 3.87Å; F517-W535 HydrophobicContact CD2-CG 4.47Å; F517-W535 HydrophobicContact CE1-CB 3.93Å; F517-W535 VanDerWaalsContact CE1-N 3.31Å; F517-W535 HydrophobicContact CG-CB 3.79Å; F517-W535 AromaticContact CG-CD1 3.52Å; F517-W535 AromaticContact CG-CG 3.77Å; F517-W535 HydrophobicContact CG-CG 3.77Å; F517-F538 HydrophobicContact CD2-CB 4.11Å; F517-F538 AromaticContact CD2-CD1 3.66Å; F517-F538 HydrophobicContact CD2-CD1 3.66Å; F517-F538 HydrophobicContact CD2-CE1 4.23Å; F517-F538 AromaticContact CD2-CG 3.89Å; F517-F538 HydrophobicContact CD2-CG 3.89Å; F517-F538 HydrophobicContact CE2-CB 3.41Å; F517-F538 VanDerWaalsContact CE2-CB 3.41Å; F517-F538 AromaticContact CE2-CD1 3.76Å; F517-F538 HydrophobicContact CE2-CD1 3.76Å; F517-F538 HydrophobicContact CE2-CD2 4.07Å; F517-F538 AromaticContact CE2-CG 3.47Å; F517-F538 HydrophobicContact CE2-CG 3.47Å; F517-F538 VanDerWaalsContact CE2-CG 3.47Å; F517-F538 HydrophobicContact CZ-CB 3.93Å; F517-F538 HydrophobicContact CZ-CG 4.44Å
518	S	89.9	Confident	90	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-44.8	176.8	-172.8	0	0	0	0	111.6	A514 E515 L516 S521	A514-S518 PolarHBondContact O-N 3.13Å; A514-S518 VanDerWaalsContact O-N 3.1Å; E515-S518 WeakPolarHBondContact O-CB 3.36Å; E515-S518 PolarHBondContact O-N 3.16Å; E515-S518 VanDerWaalsContact O-N 3.13Å; L516-S518 VanDerWaalsContact C-N 3.32Å; L516-S518 PolarHBondContact O-N 2.96Å; S518-S521 WeakPolarHBondContact O-CB 3.36Å; S518-S521 PolarHBondContact O-N 3.3Å; S518-S521 PolarHBondContact O-OG 3.41Å
519	M	92.3	Very high	89.8	Confident	51 Å²	51	42 Å²	42	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-44.7	175.8	-70.7	-170.3	-93.9	0	0	112.5	W497 E515 L516 S521 N522 S523 F631	W497-M519 HydrophobicContact CH2-CB 3.42Å; W497-M519 VanDerWaalsContact CH2-CB 3.42Å; W497-M519 HydrophobicContact CH2-CG 4.49Å; W497-M519 HydrophobicContact CH2-SD 4.3Å; W497-M519 HydrophobicContact CZ2-CB 4.24Å; W497-M519 HydrophobicContact CZ3-CB 3.78Å; E515-M519 HydrophobicContact CB-CE 4.47Å; E515-M519 HydrophobicContact CG-CE 3.84Å; E515-M519 PolarHBondContact O-N 3.26Å; L516-M519 HydrophobicContact CD2-CE 3.79Å; L516-M519 PolarHBondContact O-N 3.37Å; M519-S521 VanDerWaalsContact C-N 3.28Å; M519-S521 PolarHBondContact O-N 2.99Å; M519-N522 PolarHBondContact O-N 3.33Å; M519-N522 VanDerWaalsContact O-N 3.12Å; M519-S523 WeakPolarHBondContact O-CB 3.32Å; M519-S523 PolarHBondContact O-N 2.95Å; M519-S523 PolarHBondContact O-OG 2.9Å; M519-F631 HydrophobicContact SD-CE2 4.43Å
520	A	92.8	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-41.3	177.2	0	0	0	0	0	111.5	W497 I501 L516 F517 N522 S523 V524 V531	W497-A520 HydrophobicContact CB-CB 3.87Å; W497-A520 HydrophobicContact CD2-CB 3.4Å; W497-A520 VanDerWaalsContact CD2-CB 3.4Å; W497-A520 HydrophobicContact CE3-CB 3.59Å; W497-A520 HydrophobicContact CG-CB 3.56Å; W497-A520 HydrophobicContact CZ3-CB 4.31Å; I501-A520 HydrophobicContact CD1-CB 4.28Å; L516-A520 VanDerWaalsContact O-CB 3.24Å; L516-A520 WeakPolarHBondContact O-CB 3.5Å; L516-A520 PolarHBondContact O-N 3.42Å; F517-A520 PolarHBondContact O-N 3.11Å; A520-N522 PolarHBondContact O-N 3.05Å; A520-N522 VanDerWaalsContact O-N 3.12Å; A520-S523 PolarHBondContact O-N 3.29Å; A520-S523 VanDerWaalsContact O-N 3.08Å; A520-V524 WeakPolarHBondContact O-CB 3.37Å; A520-V524 WeakPolarHBondContact O-CG2 3.48Å; A520-V524 PolarHBondContact O-N 3.28Å; A520-V524 VanDerWaalsContact O-N 3.08Å; A520-V531 HydrophobicContact CB-CG1 3.53Å; A520-V531 HydrophobicContact CB-CG2 4.4Å
521	S	89.8	Confident	90	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-23.5	178.7	84	0	0	0	0	114	F517 S518 M519 R554	F517-S521 VanDerWaalsContact O-CB 3.31Å; F517-S521 WeakPolarHBondContact O-CB 3.5Å; F517-S521 PolarHBondContact O-N 3.16Å; S518-S521 WeakPolarHBondContact O-CB 3.36Å; S518-S521 PolarHBondContact O-N 3.3Å; S518-S521 PolarHBondContact O-OG 3.41Å; M519-S521 VanDerWaalsContact C-N 3.28Å; M519-S521 PolarHBondContact O-N 2.99Å; S521-R554 VanDerWaalsContact OG-CZ 3.25Å; S521-R554 PolarHBondContact OG-NH2 3.43Å
522	N	87.6	Confident	90.2	Very high	114 Å²	114	35.5 Å²	35.5	61%	0.61	20%	0.196	S	C	*	.	H	α-helix	trans	-93.3	-26.3	177	-82.2	-35.9	0	0	0	113.8	M519 A520 R554	M519-N522 PolarHBondContact O-N 3.33Å; M519-N522 VanDerWaalsContact O-N 3.12Å; A520-N522 PolarHBondContact O-N 3.05Å; A520-N522 VanDerWaalsContact O-N 3.12Å; N522-R554 PolarHBondContact ND2-NH2 2.89Å; N522-R554 PolarHBondContact OD1-NH2 3.5Å
523	S	89.5	Confident	90.1	Very high	15 Å²	15	38.9 Å²	38.9	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-103.7	-29.8	-162.9	-52.6	0	0	0	0	113.3	G491 M519 A520 F631	G491-S523 CarbonylContact O-C 3.49Å; G491-S523 VanDerWaalsContact O-CB 3.25Å; G491-S523 WeakPolarHBondContact O-CB 3.43Å; M519-S523 WeakPolarHBondContact O-CB 3.32Å; M519-S523 PolarHBondContact O-N 2.95Å; M519-S523 PolarHBondContact O-OG 2.9Å; A520-S523 PolarHBondContact O-N 3.29Å; A520-S523 VanDerWaalsContact O-N 3.08Å; S523-F631 VanDerWaalsContact OG-CD1 3.25Å; S523-F631 WeakPolarHBondContact OG-CD1 3.37Å; S523-F631 WeakPolarHBondContact OG-CE1 3.38Å
524	V	88.8	Confident	90.1	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	23%	0.225	C	C	.	.			trans	-72.3	135.4	-175	172.5	0	0	0	0	111.9	A494 W497 A520 D526 P528 V531	A494-V524 HydrophobicContact CB-CG1 3.83Å; W497-V524 HydrophobicContact CG-CG2 4.05Å; A520-V524 WeakPolarHBondContact O-CB 3.37Å; A520-V524 WeakPolarHBondContact O-CG2 3.48Å; A520-V524 PolarHBondContact O-N 3.28Å; A520-V524 VanDerWaalsContact O-N 3.08Å; V524-D526 VanDerWaalsContact CG1-OD1 3.24Å; V524-D526 WeakPolarHBondContact CG1-OD1 3.29Å; V524-P528 HydrophobicContact CG1-CB 4.23Å; V524-V531 HydrophobicContact CG1-CG2 4.49Å; V524-V531 HydrophobicContact CG2-CG2 3.99Å
525	T	85	Confident	90.3	Very high	91 Å²	91	41.6 Å²	41.6	56%	0.558	22%	0.22	S	C	*	.			trans	-126.5	-16.2	-174.7	51	0	0	0	0	115.2	R492	R492-T525 PolarHBondContact O-N 3.39Å; R492-T525 VanDerWaalsContact O-N 3.12Å; R492-T525 PolarHBondContact O-OG1 3.24Å
526	D	84.6	Confident	90.3	Very high	14 Å²	14	36.9 Å²	36.9	8%	0.075	20%	0.199	C	C	.	.	S	Bend	trans	-84.2	-63.6	175.7	54.2	-24	0	0	0	113	A494 V524 P528 R1160	A494-D526 PolarHBondContact N-OD1 2.9Å; A494-D526 VanDerWaalsContact N-OD1 3.15Å; A494-D526 PolarHBondContact N-OD2 3.1Å; V524-D526 VanDerWaalsContact CG1-OD1 3.24Å; V524-D526 WeakPolarHBondContact CG1-OD1 3.29Å; D526-P528 VanDerWaalsContact C-CD 3.4Å; D526-P528 WeakPolarHBondContact O-CD 3.4Å; D526-R1160 IonicContact OD1-NH1 3.07Å; D526-R1160 PolarHBondContact OD1-NH1 2.93Å; D526-R1160 WeakPolarHBondContact OD2-CD 3.2Å; D526-R1160 IonicContact OD2-CZ 3.98Å; D526-R1160 IonicContact OD2-NE 3.46Å; D526-R1160 IonicContact OD2-NH1 3.9Å; D526-R1160 PolarHBondContact OD2-NH1 3.26Å
527	F	84.2	Confident	90.3	Very high	61 Å²	61	40.5 Å²	40.5	27%	0.268	22%	0.216	S	C	.	.			trans	-133	57.3	-166.3	-58.6	-62.3	0	0	0	110.1	A494 E529 V530 H1159 R1160	A494-F527 HydrophobicContact CB-CB 4.11Å; F527-E529 WeakPolarHBondContact CA-OE1 3.47Å; F527-E529 WeakPolarHBondContact CA-OE2 3.41Å; F527-E529 WeakPolarHBondContact CB-OE1 3.33Å; F527-E529 WeakPolarHBondContact CD1-OE1 3.38Å; F527-E529 PolarHBondContact O-N 3.01Å; F527-E529 VanDerWaalsContact O-N 3.14Å; F527-V530 HydrophobicContact CB-CG2 4.03Å; F527-V530 PolarHBondContact O-N 3.08Å; F527-V530 VanDerWaalsContact O-N 3.1Å; F527-H1159 HydrophobicContact CE1-CB 4.21Å; F527-H1159 HydrophobicContact CZ-CB 3.79Å; F527-H1159 WeakPolarHBondContact CZ-O 3.38Å; F527-R1160 HydrophobicContact CE2-CB 4.11Å
528	P	88	Confident	90.2	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.078	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-25.4	-176.9	27.2	-35.8	0	0	0	112.6	V524 D526 V530 V531 F532	V524-P528 HydrophobicContact CG1-CB 4.23Å; D526-P528 VanDerWaalsContact C-CD 3.4Å; D526-P528 WeakPolarHBondContact O-CD 3.4Å; P528-V530 VanDerWaalsContact C-N 3.28Å; P528-V530 PolarHBondContact O-N 3.44Å; P528-V531 PolarHBondContact O-N 3.44Å; P528-F532 HydrophobicContact CB-CD2 4.32Å; P528-F532 HydrophobicContact CB-CE2 3.74Å; P528-F532 HydrophobicContact CB-CZ 4.12Å; P528-F532 HydrophobicContact CG-CE2 4.48Å; P528-F532 WeakPolarHBondContact O-CD2 3.44Å; P528-F532 WeakPolarHBondContact O-CG 3.32Å; P528-F532 PolarHBondContact O-N 3.41Å
529	E	87.5	Confident	90.4	Very high	83 Å²	83	38.8 Å²	38.8	39%	0.388	20%	0.203	S	C	.	.	H	α-helix	trans	-59.9	-33.2	175.1	66.7	-74.2	172.6	0	0	114	F527 F532 N533	F527-E529 WeakPolarHBondContact CA-OE1 3.47Å; F527-E529 WeakPolarHBondContact CA-OE2 3.41Å; F527-E529 WeakPolarHBondContact CB-OE1 3.33Å; F527-E529 WeakPolarHBondContact CD1-OE1 3.38Å; F527-E529 PolarHBondContact O-N 3.01Å; F527-E529 VanDerWaalsContact O-N 3.14Å; E529-F532 PolarHBondContact O-N 3.38Å; E529-N533 WeakPolarHBondContact O-CB 3.46Å; E529-N533 PolarHBondContact O-N 2.68Å; E529-N533 PolarHBondContact O-ND2 3.25Å
530	V	90	Very high	90.4	Very high	64 Å²	64	43.6 Å²	43.6	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-49.6	177.3	176.4	0	0	0	0	109.4	M498 F527 P528 F532 N533 E534	M498-V530 HydrophobicContact CG-CG1 4.15Å; M498-V530 HydrophobicContact SD-CG1 4.43Å; F527-V530 HydrophobicContact CB-CG2 4.03Å; F527-V530 PolarHBondContact O-N 3.08Å; F527-V530 VanDerWaalsContact O-N 3.1Å; P528-V530 VanDerWaalsContact C-N 3.28Å; P528-V530 PolarHBondContact O-N 3.44Å; V530-F532 PolarHBondContact O-N 3.41Å; V530-N533 PolarHBondContact O-N 2.91Å; V530-E534 PolarHBondContact O-N 3.11Å; V530-E534 VanDerWaalsContact O-N 3.15Å
531	V	92.5	Very high	90.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-42.6	176.8	177.1	0	0	0	0	111.2	A494 M498 F517 A520 V524 P528 W535	A494-V531 HydrophobicContact CB-CG2 4.23Å; M498-V531 HydrophobicContact SD-CG2 4.23Å; F517-V531 HydrophobicContact CD1-CG1 4.27Å; A520-V531 HydrophobicContact CB-CG1 3.53Å; A520-V531 HydrophobicContact CB-CG2 4.4Å; V524-V531 HydrophobicContact CG1-CG2 4.49Å; V524-V531 HydrophobicContact CG2-CG2 3.99Å; P528-V531 PolarHBondContact O-N 3.44Å; V531-W535 WeakPolarHBondContact O-CB 3.43Å; V531-W535 PolarHBondContact O-N 3.01Å
532	F	93.2	Very high	90.1	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-43.3	179.5	-66.7	-36.1	0	0	0	113.2	P528 E529 V530 W535 L536 V555 H558	P528-F532 HydrophobicContact CB-CD2 4.32Å; P528-F532 HydrophobicContact CB-CE2 3.74Å; P528-F532 HydrophobicContact CB-CZ 4.12Å; P528-F532 HydrophobicContact CG-CE2 4.48Å; P528-F532 WeakPolarHBondContact O-CD2 3.44Å; P528-F532 WeakPolarHBondContact O-CG 3.32Å; P528-F532 PolarHBondContact O-N 3.41Å; E529-F532 PolarHBondContact O-N 3.38Å; V530-F532 PolarHBondContact O-N 3.41Å; F532-W535 HydrophobicContact CD1-CE3 4.37Å; F532-W535 PolarHBondContact O-N 3.12Å; F532-L536 WeakPolarHBondContact O-CB 3.17Å; F532-L536 VanDerWaalsContact O-CG 3.24Å; F532-L536 WeakPolarHBondContact O-CG 3.31Å; F532-L536 PolarHBondContact O-N 3.06Å; F532-V555 HydrophobicContact CB-CG1 4.07Å; F532-V555 HydrophobicContact CB-CG2 3.69Å; F532-V555 HydrophobicContact CD1-CG2 3.69Å; F532-V555 HydrophobicContact CD2-CG1 4.18Å; F532-V555 HydrophobicContact CD2-CG2 4.34Å; F532-V555 HydrophobicContact CE1-CG2 4.4Å; F532-V555 HydrophobicContact CG-CB 4.44Å; F532-V555 HydrophobicContact CG-CG1 4.18Å; F532-V555 HydrophobicContact CG-CG2 3.66Å; F532-H558 HydrophobicContact CE2-CB 3.93Å; F532-H558 AromaticContact CE2-CE1 3.99Å; F532-H558 AromaticContact CE2-CG 3.6Å; F532-H558 AromaticContact CE2-ND1 3.45Å; F532-H558 WeakPolarHBondContact CE2-ND1 3.45Å; F532-H558 HydrophobicContact CZ-CB 3.91Å; F532-H558 AromaticContact CZ-CD2 3.91Å; F532-H558 AromaticContact CZ-CG 3.63Å; F532-H558 AromaticContact CZ-ND1 3.91Å
533	N	91.5	Very high	90	Very high	92 Å²	92	43.1 Å²	43.1	49%	0.492	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-44.6	179.8	-71.6	-22.6	0	0	0	110.8	E529 V530 L536 Q537	E529-N533 WeakPolarHBondContact O-CB 3.46Å; E529-N533 PolarHBondContact O-N 2.68Å; E529-N533 PolarHBondContact O-ND2 3.25Å; V530-N533 PolarHBondContact O-N 2.91Å; N533-L536 PolarHBondContact O-N 3.38Å; N533-Q537 WeakPolarHBondContact O-CB 3.37Å; N533-Q537 PolarHBondContact O-N 2.75Å
534	E	92.5	Very high	90	Very high	60 Å²	60	45 Å²	45	28%	0.28	23%	0.231	S	C	.	.	H	α-helix	trans	-68.2	-36.6	177.3	-71.4	-64	137.8	0	0	112.3	M498 F517 V530 Q537 F538	M498-E534 HydrophobicContact CE-CB 3.8Å; M498-E534 HydrophobicContact CE-CG 3.59Å; M498-E534 HydrophobicContact SD-CB 4.28Å; M498-E534 HydrophobicContact SD-CG 4.34Å; F517-E534 HydrophobicContact CE1-CB 3.8Å; F517-E534 HydrophobicContact CZ-CB 4.08Å; V530-E534 PolarHBondContact O-N 3.11Å; V530-E534 VanDerWaalsContact O-N 3.15Å; E534-Q537 PolarHBondContact O-N 3.08Å; E534-F538 WeakPolarHBondContact O-CB 3.31Å; E534-F538 PolarHBondContact O-N 2.96Å
535	W	94.7	Very high	90.1	Very high	20 Å²	20	50.9 Å²	50.9	8%	0.076	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-46.3	175	-175.1	22.3	0	0	0	111.7	F517 V531 F532 Q537 F538 L539 A551	F517-W535 HydrophobicContact CB-CB 4.05Å; F517-W535 HydrophobicContact CB-CD2 4.04Å; F517-W535 HydrophobicContact CB-CG 3.55Å; F517-W535 HydrophobicContact CD1-CB 3.44Å; F517-W535 VanDerWaalsContact CD1-CB 3.44Å; F517-W535 AromaticContact CD1-CG 3.94Å; F517-W535 HydrophobicContact CD1-CG 3.94Å; F517-W535 AromaticContact CD2-CD1 3.87Å; F517-W535 HydrophobicContact CD2-CG 4.47Å; F517-W535 HydrophobicContact CE1-CB 3.93Å; F517-W535 VanDerWaalsContact CE1-N 3.31Å; F517-W535 HydrophobicContact CG-CB 3.79Å; F517-W535 AromaticContact CG-CD1 3.52Å; F517-W535 AromaticContact CG-CG 3.77Å; F517-W535 HydrophobicContact CG-CG 3.77Å; V531-W535 WeakPolarHBondContact O-CB 3.43Å; V531-W535 PolarHBondContact O-N 3.01Å; F532-W535 HydrophobicContact CD1-CE3 4.37Å; F532-W535 PolarHBondContact O-N 3.12Å; W535-Q537 VanDerWaalsContact C-N 3.29Å; W535-Q537 PolarHBondContact O-N 3.38Å; W535-F538 PolarHBondContact O-N 3.36Å; W535-L539 HydrophobicContact CG-CD1 4.49Å; W535-L539 WeakPolarHBondContact O-CG 3.19Å; W535-L539 PolarHBondContact O-N 3.02Å; W535-A551 HydrophobicContact CD2-CB 4.22Å; W535-A551 HydrophobicContact CE3-CB 4.28Å; W535-A551 HydrophobicContact CH2-CB 4.05Å; W535-A551 HydrophobicContact CZ2-CB 3.97Å; W535-A551 HydrophobicContact CZ3-CB 4.2Å
536	L	93.4	Very high	90.2	Very high	20 Å²	20	53.1 Å²	53.1	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-38	176.1	-70.9	177.7	0	0	0	111.3	F532 N533 L539 R540 L548 A551 M552 V555	F532-L536 WeakPolarHBondContact O-CB 3.17Å; F532-L536 VanDerWaalsContact O-CG 3.24Å; F532-L536 WeakPolarHBondContact O-CG 3.31Å; F532-L536 PolarHBondContact O-N 3.06Å; N533-L536 PolarHBondContact O-N 3.38Å; L536-L539 PolarHBondContact O-N 3.32Å; L536-R540 WeakPolarHBondContact O-CB 3.31Å; L536-R540 WeakPolarHBondContact O-CD 3.48Å; L536-R540 WeakPolarHBondContact O-CG 3.24Å; L536-R540 PolarHBondContact O-N 3.1Å; L536-L548 HydrophobicContact CD2-CD1 4.02Å; L536-A551 HydrophobicContact CD2-CB 3.92Å; L536-M552 HydrophobicContact CD2-CB 4.38Å; L536-M552 HydrophobicContact CD2-CG 3.55Å; L536-V555 HydrophobicContact CD1-CG1 4.44Å; L536-V555 HydrophobicContact CD1-CG2 4.15Å; L536-V555 HydrophobicContact CD2-CG2 4.48Å; L536-V555 HydrophobicContact CG-CG2 4.29Å
537	Q	93.5	Very high	90.5	Very high	81 Å²	81	56.4 Å²	56.4	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-44.4	175.2	-174.5	56.8	39	0	0	111.2	N533 E534 W535 L539 R540 E541	N533-Q537 WeakPolarHBondContact O-CB 3.37Å; N533-Q537 PolarHBondContact O-N 2.75Å; E534-Q537 PolarHBondContact O-N 3.08Å; W535-Q537 VanDerWaalsContact C-N 3.29Å; W535-Q537 PolarHBondContact O-N 3.38Å; Q537-L539 VanDerWaalsContact C-N 3.35Å; Q537-L539 PolarHBondContact O-N 3.47Å; Q537-R540 PolarHBondContact O-N 3.07Å; Q537-E541 WeakPolarHBondContact CG-OE1 3.39Å; Q537-E541 PolarHBondContact NE2-OE1 3.17Å; Q537-E541 WeakPolarHBondContact O-CB 3.43Å; Q537-E541 WeakPolarHBondContact O-CG 3.11Å; Q537-E541 PolarHBondContact O-N 3.06Å
538	F	93.8	Very high	90.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-42.7	173.8	168	-101.7	0	0	0	112.1	H510 V513 A514 F517 E534 W535 E541 E542	H510-F538 AromaticContact CD2-CE2 3.64Å; H510-F538 AromaticContact CD2-CZ 3.29Å; H510-F538 WeakPolarHBondContact CD2-CZ 2.68Å; H510-F538 AromaticContact NE2-CE1 3.83Å; H510-F538 AromaticContact NE2-CE2 3.89Å; H510-F538 AromaticContact NE2-CZ 3.23Å; H510-F538 WeakPolarHBondContact NE2-CZ 3.28Å; V513-F538 HydrophobicContact CB-CE2 3.84Å; V513-F538 HydrophobicContact CB-CZ 3.78Å; V513-F538 HydrophobicContact CG1-CD1 4.39Å; V513-F538 HydrophobicContact CG1-CD2 3.68Å; V513-F538 HydrophobicContact CG1-CE1 4.09Å; V513-F538 HydrophobicContact CG1-CE2 3.32Å; V513-F538 HydrophobicContact CG1-CG 4.19Å; V513-F538 HydrophobicContact CG1-CZ 3.54Å; A514-F538 HydrophobicContact CB-CE1 3.84Å; A514-F538 HydrophobicContact CB-CZ 4.24Å; F517-F538 HydrophobicContact CD2-CB 4.11Å; F517-F538 AromaticContact CD2-CD1 3.66Å; F517-F538 HydrophobicContact CD2-CD1 3.66Å; F517-F538 HydrophobicContact CD2-CE1 4.23Å; F517-F538 AromaticContact CD2-CG 3.89Å; F517-F538 HydrophobicContact CD2-CG 3.89Å; F517-F538 HydrophobicContact CE2-CB 3.41Å; F517-F538 VanDerWaalsContact CE2-CB 3.41Å; F517-F538 AromaticContact CE2-CD1 3.76Å; F517-F538 HydrophobicContact CE2-CD1 3.76Å; F517-F538 HydrophobicContact CE2-CD2 4.07Å; F517-F538 AromaticContact CE2-CG 3.47Å; F517-F538 HydrophobicContact CE2-CG 3.47Å; F517-F538 VanDerWaalsContact CE2-CG 3.47Å; F517-F538 HydrophobicContact CZ-CB 3.93Å; F517-F538 HydrophobicContact CZ-CG 4.44Å; E534-F538 WeakPolarHBondContact O-CB 3.31Å; E534-F538 PolarHBondContact O-N 2.96Å; W535-F538 PolarHBondContact O-N 3.36Å; F538-E541 CarbonylContact O-C 3.58Å; F538-E541 WeakPolarHBondContact O-CB 3.04Å; F538-E541 PolarHBondContact O-N 3.46Å; F538-E542 HydrophobicContact CD2-CB 4.4Å; F538-E542 HydrophobicContact CD2-CG 4.47Å; F538-E542 HydrophobicContact CE2-CB 4.01Å; F538-E542 HydrophobicContact CE2-CG 4.25Å; F538-E542 WeakPolarHBondContact CE2-OE2 3.36Å; F538-E542 HydrophobicContact CZ-CB 4.39Å; F538-E542 PolarHBondContact O-N 2.94Å
539	L	92.8	Very high	91	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-74.9	-29	178.1	-68.3	176.4	0	0	0	113.7	W535 L536 Q537 G543 E547 L548 A551	W535-L539 HydrophobicContact CG-CD1 4.49Å; W535-L539 WeakPolarHBondContact O-CG 3.19Å; W535-L539 PolarHBondContact O-N 3.02Å; L536-L539 PolarHBondContact O-N 3.32Å; Q537-L539 VanDerWaalsContact C-N 3.35Å; Q537-L539 PolarHBondContact O-N 3.47Å; L539-G543 WeakPolarHBondContact O-CA 3.18Å; L539-G543 PolarHBondContact O-N 2.61Å; L539-G543 VanDerWaalsContact O-N 3.09Å; L539-E547 HydrophobicContact CD1-CB 4.39Å; L539-E547 HydrophobicContact CD2-CB 3.96Å; L539-L548 HydrophobicContact CB-CB 4.19Å; L539-L548 HydrophobicContact CB-CD1 3.93Å; L539-A551 HydrophobicContact CD1-CB 3.4Å; L539-A551 VanDerWaalsContact CD1-CB 3.4Å
540	R	92.6	Very high	91.2	Very high	152 Å²	152	61.4 Å²	61.4	57%	0.574	30%	0.301	S	S	*	.	H	α-helix	trans	-65.6	-33.5	170.7	-76.7	165.8	-172.5	-113.6	-0.5	111.8	L536 Q537 L548	L536-R540 WeakPolarHBondContact O-CB 3.31Å; L536-R540 WeakPolarHBondContact O-CD 3.48Å; L536-R540 WeakPolarHBondContact O-CG 3.24Å; L536-R540 PolarHBondContact O-N 3.1Å; Q537-R540 PolarHBondContact O-N 3.07Å; R540-L548 HydrophobicContact CG-CD1 3.9Å; R540-L548 HydrophobicContact CG-CD2 3.9Å
541	E	91	Very high	91.2	Very high	48 Å²	48	58.4 Å²	58.4	22%	0.224	28%	0.283	C	S	.	.	H	α-helix	trans	-75.8	-81.7	172.2	-76.4	-179.6	-140.3	0	0	108.6	R505 Q537 F538 N711	R505-E541 IonicContact CZ-OE2 2.71Å; R505-E541 VanDerWaalsContact NH2-CD 3.32Å; R505-E541 IonicContact NH2-OE1 3.83Å; R505-E541 PolarHBondContact NH2-OE1 2.86Å; R505-E541 IonicContact NH2-OE2 3.52Å; R505-E541 PolarHBondContact NH2-OE2 3.47Å; Q537-E541 WeakPolarHBondContact CG-OE1 3.39Å; Q537-E541 PolarHBondContact NE2-OE1 3.17Å; Q537-E541 WeakPolarHBondContact O-CB 3.43Å; Q537-E541 WeakPolarHBondContact O-CG 3.11Å; Q537-E541 PolarHBondContact O-N 3.06Å; F538-E541 CarbonylContact O-C 3.58Å; F538-E541 WeakPolarHBondContact O-CB 3.04Å; F538-E541 PolarHBondContact O-N 3.46Å; E541-N711 VanDerWaalsContact CA-CB 3.47Å; E541-N711 WeakPolarHBondContact CA-ND2 3.41Å; E541-N711 HydrophobicContact CB-CB 3.36Å; E541-N711 HydrophobicContact CG-CB 3.6Å; E541-N711 PolarHBondContact O-ND2 3.44Å; E541-N711 PolarHBondContact O-OD1 2.88Å
542	E	86.3	Confident	91.1	Very high	46 Å²	46	62.1 Å²	62.1	22%	0.215	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-11.7	-160.3	-59.9	173.9	-155.7	0	0	114.2	H510 F538 P710 N711	H510-E542 WeakPolarHBondContact CD2-CB 3.27Å; H510-E542 IonicContact CD2-OE2 3.27Å; H510-E542 PolarHBondContact CD2-OE2 3.08Å; H510-E542 VanDerWaalsContact CD2-OE2 3.29Å; H510-E542 WeakPolarHBondContact NE2-CB 3.47Å; H510-E542 PolarHBondContact NE2-O 3.46Å; F538-E542 HydrophobicContact CD2-CB 4.4Å; F538-E542 HydrophobicContact CD2-CG 4.47Å; F538-E542 HydrophobicContact CE2-CB 4.01Å; F538-E542 HydrophobicContact CE2-CG 4.25Å; F538-E542 WeakPolarHBondContact CE2-OE2 3.36Å; F538-E542 HydrophobicContact CZ-CB 4.39Å; F538-E542 PolarHBondContact O-N 2.94Å; E542-P710 HydrophobicContact CG-CB 4.09Å; E542-N711 WeakPolarHBondContact CA-ND2 3.39Å; E542-N711 WeakPolarHBondContact CB-ND2 3.39Å; E542-N711 WeakPolarHBondContact CG-ND2 3.3Å; E542-N711 PolarHBondContact N-ND2 2.88Å
543	G	84.8	Confident	91	Very high	23 Å²	23	64.7 Å²	64.7	24%	0.237	32%	0.315	C	S	.	.	S	Bend	trans	-90.4	164	-171.1	0	0	0	0	0	115.3	L539	L539-G543 WeakPolarHBondContact O-CA 3.18Å; L539-G543 PolarHBondContact O-N 2.61Å; L539-G543 VanDerWaalsContact O-N 3.09Å
544	S	89.9	Confident	90.9	Very high	54 Å²	54	64.2 Å²	64.2	38%	0.378	31%	0.307	S	S	.	.			trans	-74.3	154	167.8	69.1	0	0	0	0	111.6	H546 E547 L548	S544-H546 PolarHBondContact O-N 3.28Å; S544-H546 VanDerWaalsContact O-N 3.13Å; S544-E547 VanDerWaalsContact CB-OE2 3.31Å; S544-E547 WeakPolarHBondContact CB-OE2 3.2Å; S544-E547 PolarHBondContact N-OE2 3.48Å; S544-E547 PolarHBondContact O-N 2.98Å; S544-E547 VanDerWaalsContact O-N 3.11Å; S544-E547 VanDerWaalsContact OG-CD 3.27Å; S544-E547 VanDerWaalsContact OG-CG 3.25Å; S544-E547 WeakPolarHBondContact OG-CG 3.13Å; S544-E547 PolarHBondContact OG-N 3.4Å; S544-E547 PolarHBondContact OG-OE2 3.42Å; S544-L548 PolarHBondContact O-N 3.27Å
545	I	90	Very high	90.7	Very high	135 Å²	135	61.6 Å²	61.6	69%	0.692	30%	0.295	S	S	*	.	H	α-helix	trans	-57.4	-30.6	175.1	-169.5	58.8	0	0	0	112.5	L548 W549	I545-L548 HydrophobicContact CD1-CD2 4.33Å; I545-W549 VanDerWaalsContact O-CB 3.25Å; I545-W549 WeakPolarHBondContact O-CB 3.44Å; I545-W549 PolarHBondContact O-N 2.75Å
546	H	88.6	Confident	90.3	Very high	138 Å²	138	66.3 Å²	66.3	64%	0.639	32%	0.318	S	S	*	.	H	α-helix	trans	-69.9	-43	177.6	-174.4	66.4	0	0	0	112.1	S544 T550	S544-H546 PolarHBondContact O-N 3.28Å; S544-H546 VanDerWaalsContact O-N 3.13Å; H546-T550 WeakPolarHBondContact O-CB 3.42Å; H546-T550 PolarHBondContact O-N 2.92Å; H546-T550 PolarHBondContact O-OG1 3.47Å
547	E	90.5	Very high	89.9	Confident	83 Å²	83	72.5 Å²	72.5	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-45.6	174.7	-70.9	162	136.3	0	0	110.8	L539 S544 W549 T550 A551	L539-E547 HydrophobicContact CD1-CB 4.39Å; L539-E547 HydrophobicContact CD2-CB 3.96Å; S544-E547 VanDerWaalsContact CB-OE2 3.31Å; S544-E547 WeakPolarHBondContact CB-OE2 3.2Å; S544-E547 PolarHBondContact N-OE2 3.48Å; S544-E547 PolarHBondContact O-N 2.98Å; S544-E547 VanDerWaalsContact O-N 3.11Å; S544-E547 VanDerWaalsContact OG-CD 3.27Å; S544-E547 VanDerWaalsContact OG-CG 3.25Å; S544-E547 WeakPolarHBondContact OG-CG 3.13Å; S544-E547 PolarHBondContact OG-N 3.4Å; S544-E547 PolarHBondContact OG-OE2 3.42Å; E547-W549 PolarHBondContact O-N 2.73Å; E547-T550 PolarHBondContact O-N 3.38Å; E547-A551 WeakPolarHBondContact O-CB 3.18Å; E547-A551 PolarHBondContact O-N 2.97Å
548	L	91.3	Very high	89.5	Confident	23 Å²	23	71.1 Å²	71.1	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-47.7	176.8	179.2	60.6	0	0	0	111.4	L536 L539 R540 S544 I545 T550 A551 M552	L536-L548 HydrophobicContact CD2-CD1 4.02Å; L539-L548 HydrophobicContact CB-CB 4.19Å; L539-L548 HydrophobicContact CB-CD1 3.93Å; R540-L548 HydrophobicContact CG-CD1 3.9Å; R540-L548 HydrophobicContact CG-CD2 3.9Å; S544-L548 PolarHBondContact O-N 3.27Å; I545-L548 HydrophobicContact CD1-CD2 4.33Å; L548-T550 VanDerWaalsContact C-N 3.34Å; L548-T550 PolarHBondContact O-N 2.98Å; L548-A551 PolarHBondContact O-N 3.08Å; L548-M552 HydrophobicContact CD1-CG 4.29Å; L548-M552 HydrophobicContact CD1-SD 4.29Å; L548-M552 HydrophobicContact CG-SD 4.12Å; L548-M552 WeakPolarHBondContact O-CB 3.45Å; L548-M552 VanDerWaalsContact O-CG 3.27Å; L548-M552 WeakPolarHBondContact O-CG 3.38Å; L548-M552 PolarHBondContact O-N 3.29Å
549	W	90.4	Very high	88.8	Confident	163 Å²	163	76.3 Å²	76.3	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-60.6	-43.4	177.2	-175.3	-93.4	0	0	0	112.1	I545 E547 M552 N553	I545-W549 VanDerWaalsContact O-CB 3.25Å; I545-W549 WeakPolarHBondContact O-CB 3.44Å; I545-W549 PolarHBondContact O-N 2.75Å; E547-W549 PolarHBondContact O-N 2.73Å; W549-M552 PolarHBondContact O-N 3.42Å; W549-N553 PolarHBondContact NE1-ND2 3.41Å; W549-N553 PolarHBondContact O-N 3.42Å; W549-N553 VanDerWaalsContact O-N 3.1Å; W549-N553 PolarHBondContact O-ND2 2.94Å
550	T	91.1	Very high	88.3	Confident	74 Å²	74	79.9 Å²	79.9	45%	0.454	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-43.5	178.9	-59.5	0	0	0	0	111.5	H546 E547 L548 R554	H546-T550 WeakPolarHBondContact O-CB 3.42Å; H546-T550 PolarHBondContact O-N 2.92Å; H546-T550 PolarHBondContact O-OG1 3.47Å; E547-T550 PolarHBondContact O-N 3.38Å; L548-T550 VanDerWaalsContact C-N 3.34Å; L548-T550 PolarHBondContact O-N 2.98Å; T550-R554 PolarHBondContact O-N 3.32Å; T550-R554 VanDerWaalsContact O-N 3.16Å
551	A	91	Very high	87.8	Confident	1 Å²	1	77 Å²	77	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-64.6	-44.9	175.8	0	0	0	0	0	111.9	W535 L536 L539 E547 L548 N553 R554 V555	W535-A551 HydrophobicContact CD2-CB 4.22Å; W535-A551 HydrophobicContact CE3-CB 4.28Å; W535-A551 HydrophobicContact CH2-CB 4.05Å; W535-A551 HydrophobicContact CZ2-CB 3.97Å; W535-A551 HydrophobicContact CZ3-CB 4.2Å; L536-A551 HydrophobicContact CD2-CB 3.92Å; L539-A551 HydrophobicContact CD1-CB 3.4Å; L539-A551 VanDerWaalsContact CD1-CB 3.4Å; E547-A551 WeakPolarHBondContact O-CB 3.18Å; E547-A551 PolarHBondContact O-N 2.97Å; L548-A551 PolarHBondContact O-N 3.08Å; A551-N553 VanDerWaalsContact C-N 3.34Å; A551-N553 PolarHBondContact O-N 3.32Å; A551-R554 WeakPolarHBondContact O-CB 3.11Å; A551-R554 PolarHBondContact O-N 3.07Å; A551-V555 WeakPolarHBondContact O-CG2 3.39Å; A551-V555 PolarHBondContact O-N 2.99Å
552	M	91.1	Very high	87.1	Confident	79 Å²	79	77.9 Å²	77.9	39%	0.389	38%	0.38	S	S	.	.	H	α-helix	trans	-56.1	-46.8	176.8	-75.1	178.1	63.3	0	0	112	L536 L548 W549 R554 V555 E556	L536-M552 HydrophobicContact CD2-CB 4.38Å; L536-M552 HydrophobicContact CD2-CG 3.55Å; L548-M552 HydrophobicContact CD1-CG 4.29Å; L548-M552 HydrophobicContact CD1-SD 4.29Å; L548-M552 HydrophobicContact CG-SD 4.12Å; L548-M552 WeakPolarHBondContact O-CB 3.45Å; L548-M552 VanDerWaalsContact O-CG 3.27Å; L548-M552 WeakPolarHBondContact O-CG 3.38Å; L548-M552 PolarHBondContact O-N 3.29Å; W549-M552 PolarHBondContact O-N 3.42Å; M552-R554 VanDerWaalsContact C-N 3.27Å; M552-R554 PolarHBondContact O-N 3.35Å; M552-V555 PolarHBondContact O-N 2.96Å; M552-E556 WeakPolarHBondContact O-CB 3.49Å; M552-E556 PolarHBondContact O-N 2.99Å
553	N	89.6	Confident	86.6	Confident	61 Å²	61	81.8 Å²	81.8	33%	0.326	40%	0.397	S	S	.	.	H	α-helix	trans	-61.4	-35.4	176.5	-73.3	-44.7	0	0	0	112.7	W549 A551 K557	W549-N553 PolarHBondContact NE1-ND2 3.41Å; W549-N553 PolarHBondContact O-N 3.42Å; W549-N553 VanDerWaalsContact O-N 3.1Å; W549-N553 PolarHBondContact O-ND2 2.94Å; A551-N553 VanDerWaalsContact C-N 3.34Å; A551-N553 PolarHBondContact O-N 3.32Å; N553-K557 VanDerWaalsContact O-CG 3.31Å; N553-K557 WeakPolarHBondContact O-CG 3.38Å; N553-K557 PolarHBondContact O-N 3.16Å; N553-K557 VanDerWaalsContact O-N 3.08Å
554	R	89.6	Confident	86.3	Confident	82 Å²	82	83.1 Å²	83.1	31%	0.309	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-43.2	177.5	-170	174.4	-177	173.2	-3.1	111.8	S521 N522 T550 A551 M552 E556 K557 H558	S521-R554 VanDerWaalsContact OG-CZ 3.25Å; S521-R554 PolarHBondContact OG-NH2 3.43Å; N522-R554 PolarHBondContact ND2-NH2 2.89Å; N522-R554 PolarHBondContact OD1-NH2 3.5Å; T550-R554 PolarHBondContact O-N 3.32Å; T550-R554 VanDerWaalsContact O-N 3.16Å; A551-R554 WeakPolarHBondContact O-CB 3.11Å; A551-R554 PolarHBondContact O-N 3.07Å; M552-R554 VanDerWaalsContact C-N 3.27Å; M552-R554 PolarHBondContact O-N 3.35Å; R554-E556 VanDerWaalsContact C-N 3.32Å; R554-E556 PolarHBondContact O-N 3.41Å; R554-K557 PolarHBondContact O-N 2.95Å; R554-H558 PolarHBondContact O-N 3.03Å
555	V	88.4	Confident	85.7	Confident	6 Å²	6	87.1 Å²	87.1	4%	0.036	41%	0.413	C	S	.	.	H	α-helix	trans	-61.5	-41.9	175.5	174.9	0	0	0	0	110.8	F532 L536 A551 M552 H558 K559	F532-V555 HydrophobicContact CB-CG1 4.07Å; F532-V555 HydrophobicContact CB-CG2 3.69Å; F532-V555 HydrophobicContact CD1-CG2 3.69Å; F532-V555 HydrophobicContact CD2-CG1 4.18Å; F532-V555 HydrophobicContact CD2-CG2 4.34Å; F532-V555 HydrophobicContact CE1-CG2 4.4Å; F532-V555 HydrophobicContact CG-CB 4.44Å; F532-V555 HydrophobicContact CG-CG1 4.18Å; F532-V555 HydrophobicContact CG-CG2 3.66Å; L536-V555 HydrophobicContact CD1-CG1 4.44Å; L536-V555 HydrophobicContact CD1-CG2 4.15Å; L536-V555 HydrophobicContact CD2-CG2 4.48Å; L536-V555 HydrophobicContact CG-CG2 4.29Å; A551-V555 WeakPolarHBondContact O-CG2 3.39Å; A551-V555 PolarHBondContact O-N 2.99Å; M552-V555 PolarHBondContact O-N 2.96Å; V555-H558 PolarHBondContact O-N 3.02Å; V555-K559 HydrophobicContact CG1-CD 4.39Å; V555-K559 WeakPolarHBondContact O-CG 3.39Å; V555-K559 PolarHBondContact O-N 3.22Å
556	E	86.7	Confident	84.9	Confident	118 Å²	118	85 Å²	85	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-48.2	177.7	-172.1	156.2	-144	0	0	112.1	M552 R554 H558 K559 D560	M552-E556 WeakPolarHBondContact O-CB 3.49Å; M552-E556 PolarHBondContact O-N 2.99Å; R554-E556 VanDerWaalsContact C-N 3.32Å; R554-E556 PolarHBondContact O-N 3.41Å; E556-H558 VanDerWaalsContact C-N 3.26Å; E556-H558 PolarHBondContact O-N 3.4Å; E556-K559 WeakPolarHBondContact O-CB 3.37Å; E556-K559 PolarHBondContact O-N 3.33Å; E556-K559 VanDerWaalsContact O-N 3.1Å; E556-D560 PolarHBondContact O-N 2.93Å
557	K	85.9	Confident	84.3	Confident	150 Å²	150	82.1 Å²	82.1	65%	0.652	40%	0.395	S	S	*	.	H	α-helix	trans	-55.5	-41	173	-75.4	175.6	-178.3	179.1	0	112.4	N553 R554 D560 L561	N553-K557 VanDerWaalsContact O-CG 3.31Å; N553-K557 WeakPolarHBondContact O-CG 3.38Å; N553-K557 PolarHBondContact O-N 3.16Å; N553-K557 VanDerWaalsContact O-N 3.08Å; R554-K557 PolarHBondContact O-N 2.95Å; K557-D560 PolarHBondContact O-N 3.18Å; K557-L561 WeakPolarHBondContact O-CG 3.34Å; K557-L561 PolarHBondContact O-N 2.89Å
558	H	84.4	Confident	83.6	Confident	53 Å²	53	84.5 Å²	84.5	25%	0.245	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-41.4	177.7	-169.2	-81.8	0	0	0	112.2	F532 R554 V555 E556 D560 L561 L562	F532-H558 HydrophobicContact CE2-CB 3.93Å; F532-H558 AromaticContact CE2-CE1 3.99Å; F532-H558 AromaticContact CE2-CG 3.6Å; F532-H558 AromaticContact CE2-ND1 3.45Å; F532-H558 WeakPolarHBondContact CE2-ND1 3.45Å; F532-H558 HydrophobicContact CZ-CB 3.91Å; F532-H558 AromaticContact CZ-CD2 3.91Å; F532-H558 AromaticContact CZ-CG 3.63Å; F532-H558 AromaticContact CZ-ND1 3.91Å; R554-H558 PolarHBondContact O-N 3.03Å; V555-H558 PolarHBondContact O-N 3.02Å; E556-H558 VanDerWaalsContact C-N 3.26Å; E556-H558 PolarHBondContact O-N 3.4Å; H558-D560 VanDerWaalsContact C-N 3.29Å; H558-D560 PolarHBondContact O-N 3.01Å; H558-L561 PolarHBondContact O-N 3.14Å; H558-L562 VanDerWaalsContact CE1-CD1 3.47Å; H558-L562 WeakPolarHBondContact CE1-CD1 3.37Å; H558-L562 WeakPolarHBondContact ND1-CD1 3.24Å; H558-L562 PolarHBondContact O-N 2.93Å
559	K	79.8	Confident	82.7	Confident	108 Å²	108	92.7 Å²	92.7	47%	0.47	43%	0.433	S	S	.	.	H	α-helix	trans	-59	-40.4	173.8	-76.2	178.1	178.9	178.5	0	111.5	V555 E556 L562 K563	V555-K559 HydrophobicContact CG1-CD 4.39Å; V555-K559 WeakPolarHBondContact O-CG 3.39Å; V555-K559 PolarHBondContact O-N 3.22Å; E556-K559 WeakPolarHBondContact O-CB 3.37Å; E556-K559 PolarHBondContact O-N 3.33Å; E556-K559 VanDerWaalsContact O-N 3.1Å; K559-L562 PolarHBondContact O-N 2.67Å; K559-K563 VanDerWaalsContact O-CG 3.32Å; K559-K563 WeakPolarHBondContact O-CG 3.41Å; K559-K563 PolarHBondContact O-N 2.87Å
560	D	82	Confident	81.9	Confident	81 Å²	81	92.2 Å²	92.2	43%	0.433	44%	0.435	S	S	.	.	H	α-helix	trans	-71.1	-36.3	177.8	-68.1	-20.1	0	0	0	112.9	E556 K557 H558 K563 S564	E556-D560 PolarHBondContact O-N 2.93Å; K557-D560 PolarHBondContact O-N 3.18Å; H558-D560 VanDerWaalsContact C-N 3.29Å; H558-D560 PolarHBondContact O-N 3.01Å; D560-K563 PolarHBondContact O-N 2.85Å; D560-K563 IonicContact OD1-NZ 3.35Å; D560-S564 WeakPolarHBondContact O-CB 3.33Å; D560-S564 PolarHBondContact O-N 3.07Å; D560-S564 PolarHBondContact O-OG 2.88Å
561	L	82.2	Confident	81.2	Confident	90 Å²	90	93.7 Å²	93.7	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-41.9	170.6	-82.9	157.8	0	0	0	112.1	K557 H558 S564 K565	K557-L561 WeakPolarHBondContact O-CG 3.34Å; K557-L561 PolarHBondContact O-N 2.89Å; H558-L561 PolarHBondContact O-N 3.14Å; L561-S564 WeakPolarHBondContact CA-OG 3.29Å; L561-S564 PolarHBondContact O-OG 3.04Å; L561-K565 WeakPolarHBondContact O-CB 3.34Å; L561-K565 WeakPolarHBondContact O-CG 3.49Å; L561-K565 PolarHBondContact O-N 3.47Å
562	L	75.3	Confident	80.4	Confident	67 Å²	67	103.1 Å²	103.1	35%	0.351	47%	0.472	S	S	.	.	H	α-helix	trans	-66.8	-45.3	175.6	-75.4	171.8	0	0	0	111.9	H558 K559 S564 K565 N566	H558-L562 VanDerWaalsContact CE1-CD1 3.47Å; H558-L562 WeakPolarHBondContact CE1-CD1 3.37Å; H558-L562 WeakPolarHBondContact ND1-CD1 3.24Å; H558-L562 PolarHBondContact O-N 2.93Å; K559-L562 PolarHBondContact O-N 2.67Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 3.23Å; L562-K565 PolarHBondContact O-N 3.19Å; L562-N566 WeakPolarHBondContact O-CB 3.4Å; L562-N566 VanDerWaalsContact O-CG 3.22Å; L562-N566 PolarHBondContact O-N 3.45Å; L562-N566 PolarHBondContact O-ND2 3.15Å
563	K	76	Confident	79.4	Confident	129 Å²	129	105.6 Å²	105.6	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-56.5	-48.6	174.5	-74.2	172.6	-173.2	168.3	0	111	K559 D560 N566 V567	K559-K563 VanDerWaalsContact O-CG 3.32Å; K559-K563 WeakPolarHBondContact O-CG 3.41Å; K559-K563 PolarHBondContact O-N 2.87Å; D560-K563 PolarHBondContact O-N 2.85Å; D560-K563 IonicContact OD1-NZ 3.35Å; K563-N566 PolarHBondContact O-N 2.83Å; K563-V567 VanDerWaalsContact O-CG2 3.31Å; K563-V567 WeakPolarHBondContact O-CG2 3.42Å; K563-V567 PolarHBondContact O-N 2.77Å
564	S	78.9	Confident	78.5	Confident	50 Å²	50	108.2 Å²	108.2	35%	0.35	49%	0.491	S	S	.	.	H	α-helix	trans	-67.2	-37.6	179.9	61	0	0	0	0	113.3	D560 L561 L562 V567 K568	D560-S564 WeakPolarHBondContact O-CB 3.33Å; D560-S564 PolarHBondContact O-N 3.07Å; D560-S564 PolarHBondContact O-OG 2.88Å; L561-S564 WeakPolarHBondContact CA-OG 3.29Å; L561-S564 PolarHBondContact O-OG 3.04Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 3.23Å; S564-V567 PolarHBondContact O-N 3.08Å; S564-K568 WeakPolarHBondContact O-CB 3.27Å; S564-K568 WeakPolarHBondContact O-CG 3.36Å; S564-K568 PolarHBondContact O-N 2.92Å
565	K	77.9	Confident	77.7	Confident	138 Å²	138	108.8 Å²	108.8	60%	0.6	50%	0.501	S	S	*	.	H	α-helix	trans	-62.8	-41.9	171.2	-79.2	-179.7	178.7	177.6	0	111.7	L561 L562 K568 R569	L561-K565 WeakPolarHBondContact O-CB 3.34Å; L561-K565 WeakPolarHBondContact O-CG 3.49Å; L561-K565 PolarHBondContact O-N 3.47Å; L562-K565 PolarHBondContact O-N 3.19Å; K565-K568 PolarHBondContact O-N 3.24Å; K565-R569 VanDerWaalsContact O-CB 3.29Å; K565-R569 WeakPolarHBondContact O-CB 3.34Å; K565-R569 PolarHBondContact O-N 3.5Å
566	N	71.9	Confident	76.8	Confident	92 Å²	92	115.7 Å²	115.7	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-40.6	178	-73.4	-16.2	0	0	0	112.2	L562 K563 R569 K570	L562-N566 WeakPolarHBondContact O-CB 3.4Å; L562-N566 VanDerWaalsContact O-CG 3.22Å; L562-N566 PolarHBondContact O-N 3.45Å; L562-N566 PolarHBondContact O-ND2 3.15Å; K563-N566 PolarHBondContact O-N 2.83Å; N566-R569 PolarHBondContact O-N 3.37Å; N566-K570 PolarHBondContact O-N 3.22Å
567	V	75.6	Confident	75.6	Confident	76 Å²	76	115.8 Å²	115.8	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-61.9	-51.1	173.2	172.8	0	0	0	0	110.7	K563 S564 R569 K570 E571	K563-V567 VanDerWaalsContact O-CG2 3.31Å; K563-V567 WeakPolarHBondContact O-CG2 3.42Å; K563-V567 PolarHBondContact O-N 2.77Å; S564-V567 PolarHBondContact O-N 3.08Å; V567-R569 VanDerWaalsContact C-N 3.26Å; V567-R569 PolarHBondContact O-N 3.38Å; V567-K570 PolarHBondContact O-N 3.15Å; V567-K570 VanDerWaalsContact O-N 3.13Å; V567-E571 HydrophobicContact CG1-CG 4.4Å; V567-E571 WeakPolarHBondContact O-CG 3.39Å; V567-E571 PolarHBondContact O-N 3.35Å
568	K	76.8	Confident	74.3	Confident	133 Å²	133	116 Å²	116	58%	0.578	53%	0.53	S	S	*	.	H	α-helix	trans	-59.7	-34.8	176.7	-73.7	178.6	-179.4	177.8	0	112.8	S564 K565 R572	S564-K568 WeakPolarHBondContact O-CB 3.27Å; S564-K568 WeakPolarHBondContact O-CG 3.36Å; S564-K568 PolarHBondContact O-N 2.92Å; K565-K568 PolarHBondContact O-N 3.24Å; K568-R572 WeakPolarHBondContact O-CB 3.49Å; K568-R572 VanDerWaalsContact O-CG 3.32Å; K568-R572 WeakPolarHBondContact O-CG 3.33Å; K568-R572 PolarHBondContact O-N 3.44Å
569	R	73.3	Confident	72.8	Confident	195 Å²	195	120.4 Å²	120.4	74%	0.736	55%	0.548	S	S	*	.	H	α-helix	trans	-70.4	-40.9	176.9	-163.1	174	175.7	177.5	-2.1	111.1	K565 N566 V567 F573	K565-R569 VanDerWaalsContact O-CB 3.29Å; K565-R569 WeakPolarHBondContact O-CB 3.34Å; K565-R569 PolarHBondContact O-N 3.5Å; N566-R569 PolarHBondContact O-N 3.37Å; V567-R569 VanDerWaalsContact C-N 3.26Å; V567-R569 PolarHBondContact O-N 3.38Å; R569-F573 WeakPolarHBondContact O-CB 3.45Å; R569-F573 PolarHBondContact O-N 3.45Å; R569-F573 VanDerWaalsContact O-N 3.08Å
570	K	72.6	Confident	71.4	Confident	153 Å²	153	122.2 Å²	122.2	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-62	-49	171.3	-79	-174.6	175.4	-175.1	0	111.8	N566 V567 R572 F573 E574	N566-K570 PolarHBondContact O-N 3.22Å; V567-K570 PolarHBondContact O-N 3.15Å; V567-K570 VanDerWaalsContact O-N 3.13Å; K570-R572 PolarHBondContact O-N 2.89Å; K570-F573 WeakPolarHBondContact O-CB 3.44Å; K570-F573 PolarHBondContact O-N 3.39Å; K570-F573 VanDerWaalsContact O-N 3.09Å; K570-E574 PolarHBondContact O-N 3.31Å
571	E	76.3	Confident	69.7	Low	105 Å²	105	122.2 Å²	122.2	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-61.1	-41.5	178.1	-72.4	176	172.4	0	0	112.7	V567 F573 E574 N575	V567-E571 HydrophobicContact CG1-CG 4.4Å; V567-E571 WeakPolarHBondContact O-CG 3.39Å; V567-E571 PolarHBondContact O-N 3.35Å; E571-F573 VanDerWaalsContact C-N 3.3Å; E571-F573 PolarHBondContact O-N 3.41Å; E571-E574 PolarHBondContact O-N 3.12Å; E571-N575 VanDerWaalsContact O-CB 3.29Å; E571-N575 WeakPolarHBondContact O-CB 3.5Å; E571-N575 PolarHBondContact O-N 2.99Å; E571-N575 PolarHBondContact O-ND2 2.89Å
572	R	74.7	Confident	67.9	Low	199 Å²	199	120.9 Å²	120.9	75%	0.751	57%	0.565	S	S	*	*	H	α-helix	trans	-63.5	-36.9	174.3	-80.7	-179.2	175.8	-168.8	-1.1	112	K568 K570 K576	K568-R572 WeakPolarHBondContact O-CB 3.49Å; K568-R572 VanDerWaalsContact O-CG 3.32Å; K568-R572 WeakPolarHBondContact O-CG 3.33Å; K568-R572 PolarHBondContact O-N 3.44Å; K570-R572 PolarHBondContact O-N 2.89Å; R572-K576 PolarHBondContact O-N 2.98Å; R572-K576 VanDerWaalsContact O-N 3.12Å
573	F	68.8	Low	66.4	Low	131 Å²	131	125.3 Å²	125.3	58%	0.575	58%	0.581	S	S	*	*	H	α-helix	trans	-71.8	-42.3	178.4	-156.4	-99.9	0	0	0	111.6	R569 K570 E571 K576 K577	R569-F573 WeakPolarHBondContact O-CB 3.45Å; R569-F573 PolarHBondContact O-N 3.45Å; R569-F573 VanDerWaalsContact O-N 3.08Å; K570-F573 WeakPolarHBondContact O-CB 3.44Å; K570-F573 PolarHBondContact O-N 3.39Å; K570-F573 VanDerWaalsContact O-N 3.09Å; E571-F573 VanDerWaalsContact C-N 3.3Å; E571-F573 PolarHBondContact O-N 3.41Å; F573-K576 PolarHBondContact O-N 3.48Å; F573-K577 HydrophobicContact CE1-CD 4.49Å; F573-K577 PolarHBondContact O-N 2.73Å
574	E	71.5	Confident	64.9	Low	116 Å²	116	122.6 Å²	122.6	54%	0.542	58%	0.583	S	S	.	*	H	α-helix	trans	-65.4	-42.5	174.6	-75	-170.6	178.1	0	0	112.8	K570 E571 K576 K577 K578	K570-E574 PolarHBondContact O-N 3.31Å; E571-E574 PolarHBondContact O-N 3.12Å; E574-K576 VanDerWaalsContact C-N 3.3Å; E574-K576 PolarHBondContact O-N 3.1Å; E574-K577 PolarHBondContact O-N 3.47Å; E574-K578 PolarHBondContact O-N 2.97Å
575	N	73	Confident	63.5	Low	94 Å²	94	127.7 Å²	127.7	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-66.2	-30.5	176.1	-82.8	-32.5	0	0	0	112.7	E571 K579	E571-N575 VanDerWaalsContact O-CB 3.29Å; E571-N575 WeakPolarHBondContact O-CB 3.5Å; E571-N575 PolarHBondContact O-N 2.99Å; E571-N575 PolarHBondContact O-ND2 2.89Å; N575-K579 WeakPolarHBondContact O-CB 3.32Å; N575-K579 WeakPolarHBondContact O-CG 3.33Å; N575-K579 PolarHBondContact O-N 2.8Å
576	K	69.8	Low	62	Low	151 Å²	151	128.9 Å²	128.9	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-68.9	-41.7	170.3	-88.8	-174.4	173.7	-174.6	0	111.6	R572 F573 E574 K579 Q580	R572-K576 PolarHBondContact O-N 2.98Å; R572-K576 VanDerWaalsContact O-N 3.12Å; F573-K576 PolarHBondContact O-N 3.48Å; E574-K576 VanDerWaalsContact C-N 3.3Å; E574-K576 PolarHBondContact O-N 3.1Å; K576-K579 PolarHBondContact O-N 2.97Å; K576-Q580 PolarHBondContact O-N 2.76Å
577	K	61.1	Low	60.7	Low	121 Å²	121	129.8 Å²	129.8	53%	0.526	61%	0.611	S	S	.	*	H	α-helix	trans	-64	-40.9	175.2	-83.3	-172.7	172.3	-176.4	0	113	F573 E574 K579 P581	F573-K577 HydrophobicContact CE1-CD 4.49Å; F573-K577 PolarHBondContact O-N 2.73Å; E574-K577 PolarHBondContact O-N 3.47Å; K577-K579 PolarHBondContact O-N 3.07Å; K577-P581 WeakPolarHBondContact O-CD 3.1Å
578	K	57.7	Low	59	Low	155 Å²	155	134.7 Å²	134.7	67%	0.674	63%	0.627	S	S	*	*	H	α-helix	trans	-72.4	-22.3	179.2	-73.5	-179.2	178.8	173.5	0	114.4	E574	E574-K578 PolarHBondContact O-N 2.97Å
579	K	53	Low	57.5	Low	145 Å²	145	135.9 Å²	135.9	63%	0.63	63%	0.634	S	S	*	*	H	α-helix	trans	-92.9	-11.1	-179.3	-75.1	-177.8	177	-178.8	0	114.8	N575 K576 K577	N575-K579 WeakPolarHBondContact O-CB 3.32Å; N575-K579 WeakPolarHBondContact O-CG 3.33Å; N575-K579 PolarHBondContact O-N 2.8Å; K576-K579 PolarHBondContact O-N 2.97Å; K577-K579 PolarHBondContact O-N 3.07Å
580	Q	50.5	Low	56.1	Low	145 Å²	145	133.1 Å²	133.1	68%	0.678	63%	0.634	S	S	*	*	H	α-helix	trans	-75.1	-31.5	-180	-83.3	176.2	-10.3	0	0	114.9	K576	K576-Q580 PolarHBondContact O-N 2.76Å
581	P	46.3	Very low	54.5	Low	81 Å²	81	133.7 Å²	133.7	53%	0.526	64%	0.639	S	S	.	*	H	α-helix	trans	-76.3	-31.6	174.5	-14.4	28.8	0	0	0	113.5	K577 K583	K577-P581 WeakPolarHBondContact O-CD 3.1Å; P581-K583 PolarHBondContact O-N 2.58Å
582	A	44.7	Very low	52.6	Low	63 Å²	63	134.9 Å²	134.9	52%	0.521	65%	0.654	S	S	.	*	H	α-helix	trans	-80	-15.6	-172	0	0	0	0	0	114.9
583	K	44.6	Very low	50.8	Low	160 Å²	160	136 Å²	136	70%	0.696	66%	0.658	S	S	*	*	H	α-helix	trans	-91.2	-24.4	174.2	-76.8	-172.9	172.9	-170.7	0	113.2	P581	P581-K583 PolarHBondContact O-N 2.58Å
584	A	43.7	Very low	49.3	Very low	72 Å²	72	136.6 Å²	136.6	60%	0.595	67%	0.672	S	S	*	*	H	α-helix	trans	-73.6	-33.5	175.8	0	0	0	0	0	112.4
585	Q	49.3	Very low	47.4	Very low	156 Å²	156	135.3 Å²	135.3	73%	0.729	68%	0.682	S	S	*	*	H	α-helix	trans	-79.4	-21.3	178.7	-103.7	164	-26.3	0	0	115
586	K	46.9	Very low	45.9	Very low	164 Å²	164	138 Å²	138	71%	0.713	70%	0.697	S	S	*	*	H	α-helix	trans	-86.6	-18.3	176.1	-88.4	-174.4	174.1	-176.6	0	114.1
587	N	44.2	Very low	44.4	Very low	110 Å²	110	138.8 Å²	138.8	59%	0.588	71%	0.708	S	S	*	*	H	α-helix	trans	-86.6	-17.2	177.6	-79	7.2	0	0	0	113.3	Q589	N587-Q589 VanDerWaalsContact C-N 3.27Å; N587-Q589 PolarHBondContact O-N 2.8Å
588	F	40.7	Very low	43	Very low	179 Å²	179	145 Å²	145	79%	0.785	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-9.7	177.8	-152.2	-100.6	0	0	0	114.2
589	Q	44	Very low	42	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.743	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-2.7	-179.9	-79.6	-179.3	-16	0	0	114.6	N587	N587-Q589 VanDerWaalsContact C-N 3.27Å; N587-Q589 PolarHBondContact O-N 2.8Å
590	N	44.4	Very low	41.3	Very low	136 Å²	136	141.1 Å²	141.1	73%	0.727	74%	0.739	S	S	*	*	S	Bend	trans	-111.5	-1.8	-177.7	-94	-3.7	0	0	0	114.9	T592	N590-T592 VanDerWaalsContact C-N 3.31Å; N590-T592 PolarHBondContact O-N 3.46Å
591	E	38.9	Very low	40.6	Very low	166 Å²	166	143.7 Å²	143.7	78%	0.776	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	17.4	-177	-73.8	-176.3	165.2	0	0	114.8
592	T	36.2	Very low	40	Very low	130 Å²	130	145.2 Å²	145.2	80%	0.798	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	11.9	176.5	11.5	0	0	0	0	115.3	N590	N590-T592 VanDerWaalsContact C-N 3.31Å; N590-T592 PolarHBondContact O-N 3.46Å
593	R	38.3	Very low	39.6	Very low	222 Å²	222	151.7 Å²	151.7	84%	0.838	78%	0.776	S	S	*	*	S	Bend	trans	-138.9	131.5	176.6	-76.6	-177.2	153.6	174.1	-8.7	111.7
594	T	36.4	Very low	39.2	Very low	143 Å²	143	150.5 Å²	150.5	88%	0.877	78%	0.782	S	S	*	*			trans	79	88.7	164.2	58.2	0	0	0	0	117.8
595	A	32	Very low	38.6	Very low	90 Å²	90	155.3 Å²	155.3	74%	0.744	80%	0.797	S	S	*	*			trans	-65	173.3	142.9	0	0	0	0	0	111.6
596	D	40.6	Very low	37.9	Very low	151 Å²	151	153.1 Å²	153.1	81%	0.807	80%	0.797	S	S	*	*			trans	87.7	90.4	175	-65.6	-19.3	0	0	0	117.9
597	N	38.5	Very low	37.4	Very low	166 Å²	166	151 Å²	151	89%	0.888	80%	0.799	S	S	*	*				-177.9	128.5	96.1	-109.6	-31.6	0	0	0	112.4
598	R	32.1	Very low	36.8	Very low	253 Å²	253	155.8 Å²	155.8	96%	0.955	82%	0.815	S	S	*	*			trans	-95.2	155.7	176.1	-69.2	174.9	179.8	168.2	-0.6	110.7
599	G	36.4	Very low	36.2	Very low	73 Å²	73	159 Å²	159	75%	0.753	82%	0.822	S	S	*	*			trans	164.6	75.1	165.1	0	0	0	0	0	112.3
600	N	38	Very low	35.6	Very low	145 Å²	145	156 Å²	156	78%	0.775	82%	0.824	S	S	*	*				79.2	107	86.8	-159.4	17.5	0	0	0	114.3
601	K	37	Very low	34.9	Very low	199 Å²	199	154.1 Å²	154.1	87%	0.865	83%	0.827	S	S	*	*				176.3	119.1	122.3	-94.9	174	-174.5	-178.8	0	112.6
602	S	32.4	Very low	34.4	Very low	113 Å²	113	153.3 Å²	153.3	79%	0.79	83%	0.833	S	S	*	*			trans	-87.3	155.4	175.2	-47.6	0	0	0	0	113
603	K	36.4	Very low	34.1	Very low	198 Å²	198	152.1 Å²	152.1	86%	0.861	83%	0.828	S	S	*	*			trans	-173.5	101.5	148.3	-101.6	173.2	-174.6	-169.9	0	108.4
604	V	36.6	Very low	33.4	Very low	135 Å²	135	146.2 Å²	146.2	82%	0.818	82%	0.821	S	S	*	*				60.8	114.8	101.2	-177	0	0	0	0	114.2
605	L	30.8	Very low	33.2	Very low	173 Å²	173	146.1 Å²	146.1	91%	0.906	82%	0.823	S	S	*	*			trans	-119.5	127.6	171.4	-84	160.3	0	0	0	109.6
606	P	34.8	Very low	33	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	82%	0.817	S	S	*	*			trans	-115.4	171.1	156.3	29.8	-13	0	0	0	112.5
607	P	36	Very low	32.5	Very low	119 Å²	119	148.1 Å²	148.1	77%	0.773	82%	0.822	S	S	*	*			trans	-105.4	151.3	-157.9	38.1	-30.7	0	0	0	115.1
608	K	32.7	Very low	32.2	Very low	210 Å²	210	148.5 Å²	148.5	91%	0.913	82%	0.822	S	S	*	*			trans	166.5	147.8	139.8	-98.2	176.2	178.4	177.8	0	113.3
609	R	28.4	Very low	32	Very low	247 Å²	247	144.1 Å²	144.1	93%	0.932	82%	0.817	S	S	*	*			trans	-29.1	133.9	172.7	-70.1	169.5	166.4	170.3	-4.8	116.7
610	A	30.8	Very low	31.7	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	82%	0.817	S	S	*	*				170.6	138.6	128.3	0	0	0	0	0	112.1
611	A	29.4	Very low	31.2	Very low	96 Å²	96	147.5 Å²	147.5	79%	0.793	83%	0.825	S	S	*	*			trans	58.5	101.8	155.6	0	0	0	0	0	119	P613	A611-P613 WeakPolarHBondContact O-CD 3.46Å
612	V	28.1	Very low	30.8	Very low	149 Å²	149	142.1 Å²	142.1	90%	0.903	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.9	118.2	157.6	179.7	0	0	0	0	108.4
613	P	29.7	Very low	30.8	Very low	105 Å²	105	145.2 Å²	145.2	68%	0.682	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.4	156.8	179.3	30.2	-25.4	0	0	0	112.1	A611	A611-P613 WeakPolarHBondContact O-CD 3.46Å
614	S	24.3	Very low	30.9	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-50.7	132.3	178.1	48.7	0	0	0	0	114.2	S616	S614-S616 PolarHBondContact O-N 2.99Å
615	P	32.2	Very low	31.1	Very low	142 Å²	142	146.3 Å²	146.3	92%	0.922	82%	0.815	S	S	*	*			trans	-88.2	87.1	171.4	11.5	4.8	0	0	0	110.9
616	S	28	Very low	31.7	Very low	90 Å²	90	141.3 Å²	141.3	63%	0.629	79%	0.792	S	S	*	*			trans	-114.5	131.6	153.8	53.1	0	0	0	0	108	S614	S614-S616 PolarHBondContact O-N 2.99Å
617	Q	30.9	Very low	32.9	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	78%	0.775	S	S	*	*			trans	84.6	80.8	174.6	-52.8	179	-21	0	0	117.3
618	I	31.8	Very low	33.2	Very low	174 Å²	174	138.7 Å²	138.7	89%	0.892	78%	0.78	S	S	*	*			trans	-137.8	108.8	138.6	-60.1	-175.8	0	0	0	108.2
619	D	27.7	Very low	33.6	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	77%	0.769	S	S	*	*			trans	-58.2	138.7	165.3	-96.2	-43.6	0	0	0	112.1
620	A	29.3	Very low	34.1	Very low	90 Å²	90	125.9 Å²	125.9	74%	0.744	75%	0.753	S	S	*	*			trans	-178.8	84.7	142.6	0	0	0	0	0	111.9
621	Q	27.1	Very low	34.3	Very low	200 Å²	200	124.3 Å²	124.3	94%	0.935	73%	0.728	S	S	*	*			trans	32.4	95.2	138.6	-71.1	166.4	-20.2	0	0	118.9
622	A	28.9	Very low	34.7	Very low	85 Å²	85	124.5 Å²	124.5	70%	0.702	72%	0.716	S	S	*	*			trans	-156.1	110.6	146.2	0	0	0	0	0	109.3	R624	A622-R624 PolarHBondContact O-N 3.2Å; A622-R624 VanDerWaalsContact O-N 3.11Å
623	D	32.2	Very low	35.3	Very low	179 Å²	179	121.3 Å²	121.3	96%	0.957	70%	0.696	S	S	*	*			trans	-49	111.2	-178.3	-76	-35.3	0	0	0	112.7
624	R	39.3	Very low	35.6	Very low	203 Å²	203	121.3 Å²	121.3	77%	0.766	70%	0.696	S	S	*	*			trans	-100.9	102.6	171.6	-67.4	-177.7	-174.2	178.4	2.8	108.4	A622 V626 L632	A622-R624 PolarHBondContact O-N 3.2Å; A622-R624 VanDerWaalsContact O-N 3.11Å; R624-V626 PolarHBondContact O-N 3.38Å; R624-L632 HydrophobicContact CB-CD2 3.93Å; R624-L632 HydrophobicContact CG-CD2 4.3Å
625	H	41.6	Very low	36	Very low	152 Å²	152	122.8 Å²	122.8	70%	0.704	70%	0.703	S	S	*	*			trans	-76.8	119.6	175.9	-141.7	-47.7	0	0	0	109.7	V633	H625-V633 PolarHBondContact O-N 2.81Å
626	V	43.6	Very low	36.1	Very low	69 Å²	69	123.4 Å²	123.4	42%	0.418	70%	0.698	S	S	.	*	B	Isolated β-bridge	trans	-102.9	140.6	173.3	-165	0	0	0	0	107	R624 F631	R624-V626 PolarHBondContact O-N 3.38Å; V626-F631 WeakPolarHBondContact CA-O 3.18Å
627	D	58.3	Low	36.4	Very low	68 Å²	68	125.2 Å²	125.2	36%	0.364	71%	0.708	S	S	.	*			trans	-79.7	179.2	170.2	62.9	15.5	0	0	0	111.6	D629 G630 F631 V633	D627-D629 PolarHBondContact O-N 3.4Å; D627-D629 VanDerWaalsContact O-N 3.07Å; D627-D629 PolarHBondContact OD1-N 3.02Å; D627-G630 PolarHBondContact O-N 3.12Å; D627-G630 PolarHBondContact OD1-N 3.27Å; D627-F631 PolarHBondContact N-O 3.45Å; D627-F631 PolarHBondContact OD1-N 3.24Å; D627-V633 HydrophobicContact CB-CG2 4.38Å
628	A	42.4	Very low	36.3	Very low	106 Å²	106	126.3 Å²	126.3	88%	0.876	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-15.1	-177.9	0	0	0	0	0	113.7
629	D	42	Very low	36.4	Very low	131 Å²	131	123 Å²	123	70%	0.701	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	2.9	-174.7	-58.9	-44.3	0	0	0	113.1	D627 F631	D627-D629 PolarHBondContact O-N 3.4Å; D627-D629 VanDerWaalsContact O-N 3.07Å; D627-D629 PolarHBondContact OD1-N 3.02Å; D629-F631 HydrophobicContact CB-CD2 4.15Å
630	G	38.6	Very low	36.6	Very low	57 Å²	57	120 Å²	120	59%	0.588	71%	0.706	S	S	*	*	S	Bend	trans	89.9	9.7	175.7	0	0	0	0	0	115	D627	D627-G630 PolarHBondContact O-N 3.12Å; D627-G630 PolarHBondContact OD1-N 3.27Å
631	F	35.6	Very low	36.4	Very low	63 Å²	63	125.7 Å²	125.7	28%	0.276	71%	0.714	S	S	.	*			trans	-88	137.4	179.7	-76.3	-86.5	0	0	0	112.6	W497 M519 S523 V626 D627 D629 V633	W497-F631 HydrophobicContact CH2-CZ 4.17Å; W497-F631 HydrophobicContact CZ2-CE1 4.17Å; W497-F631 HydrophobicContact CZ2-CZ 4.06Å; M519-F631 HydrophobicContact SD-CE2 4.43Å; S523-F631 VanDerWaalsContact OG-CD1 3.25Å; S523-F631 WeakPolarHBondContact OG-CD1 3.37Å; S523-F631 WeakPolarHBondContact OG-CE1 3.38Å; V626-F631 WeakPolarHBondContact CA-O 3.18Å; D627-F631 PolarHBondContact N-O 3.45Å; D627-F631 PolarHBondContact OD1-N 3.24Å; D629-F631 HydrophobicContact CB-CD2 4.15Å; F631-V633 PolarHBondContact O-N 3.12Å
632	L	38.3	Very low	36.7	Very low	100 Å²	100	124.6 Å²	124.6	52%	0.524	71%	0.714	S	S	.	*	B	Isolated β-bridge	trans	-77.1	113.2	174.9	-84.6	156.8	0	0	0	110.5	R624	R624-L632 HydrophobicContact CB-CD2 3.93Å; R624-L632 HydrophobicContact CG-CD2 4.3Å
633	V	40.3	Very low	36.9	Very low	83 Å²	83	125.5 Å²	125.5	50%	0.503	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-95.9	120.3	179.5	-174	0	0	0	0	110.7	H625 D627 F631	H625-V633 PolarHBondContact O-N 2.81Å; D627-V633 HydrophobicContact CB-CG2 4.38Å; F631-V633 PolarHBondContact O-N 3.12Å
634	P	34.4	Very low	36.7	Very low	105 Å²	105	123.5 Å²	123.5	68%	0.682	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-71.1	141.7	172.9	-14.2	28.5	0	0	0	112
635	P	34.5	Very low	36.3	Very low	128 Å²	128	121.8 Å²	121.8	83%	0.831	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-75	134.4	-175.9	28.8	-32.5	0	0	0	112.9
636	L	33.5	Very low	35.6	Very low	155 Å²	155	123.2 Å²	123.2	81%	0.812	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-80.7	142.3	173.8	-79.9	147.6	0	0	0	111.8
637	P	33.5	Very low	35	Very low	129 Å²	129	132 Å²	132	84%	0.838	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-71.2	134.5	177.2	-12.2	27.2	0	0	0	113
638	K	30.3	Very low	33.5	Very low	214 Å²	214	133.6 Å²	133.6	93%	0.93	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-85.1	124.4	176.8	-66.4	176.1	178.3	175.1	0	112.4
639	A	32.8	Very low	32.8	Very low	104 Å²	104	134.9 Å²	134.9	86%	0.86	75%	0.753	S	S	*	*			trans	178.9	144.9	153.4	0	0	0	0	0	108.4
640	A	31.3	Very low	32.1	Very low	99 Å²	99	134.6 Å²	134.6	82%	0.818	76%	0.756	S	S	*	*			cis	-154.3	152.4	-9	0	0	0	0	0	106.4
641	K	26.7	Very low	31.9	Very low	209 Å²	209	141.5 Å²	141.5	91%	0.909	77%	0.77	S	S	*	*			trans	-59.4	132.9	-176.8	-62.5	165.7	176.2	175.6	0	112
642	L	32.7	Very low	31.5	Very low	177 Å²	177	144.7 Å²	144.7	93%	0.927	80%	0.797	S	S	*	*			trans	-143.7	137.3	145.9	-97.3	161.3	0	0	0	108.9
643	S	32.3	Very low	31	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	81%	0.808	S	S	*	*			trans	-93	144.7	-149.2	50.9	0	0	0	0	115.2
644	N	28.7	Very low	30.3	Very low	137 Å²	137	148 Å²	148	73%	0.733	82%	0.82	S	S	*	*			trans	21	124.5	142.4	-81.3	-14.6	0	0	0	118.8
645	N	31.7	Very low	29.9	Very low	166 Å²	166	149.8 Å²	149.8	89%	0.888	82%	0.819	S	S	*	*				-153.4	125.9	100.4	-123.1	-9.8	0	0	0	113.3
646	K	27.2	Very low	29.5	Very low	182 Å²	182	150 Å²	150	79%	0.791	81%	0.809	S	S	*	*			trans	-69.6	144.8	171.3	-74	170.2	171	176.5	0	110
647	R	30	Very low	29.2	Very low	253 Å²	253	149.6 Å²	149.6	96%	0.955	80%	0.803	S	S	*	*			trans	-154.9	125.7	134.1	-109.8	171.3	-170.9	-171.4	1.8	111.5
648	S	26.1	Very low	28.8	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	80%	0.799	S	S	*	*			trans	-79.2	144.4	176.6	47.5	0	0	0	0	112.8
649	V	29.2	Very low	28.7	Very low	133 Å²	133	150.3 Å²	150.3	81%	0.806	80%	0.799	S	S	*	*			trans	-155.9	92.5	145.9	-174.8	0	0	0	0	106.8
650	T	26.7	Very low	28.3	Very low	125 Å²	125	154.2 Å²	154.2	77%	0.767	80%	0.799	S	S	*	*				47.6	115.7	97.5	51.7	0	0	0	0	117
651	K	33.6	Very low	28	Very low	203 Å²	203	154.5 Å²	154.5	88%	0.883	80%	0.795	S	S	*	*			trans	-58.5	166.6	163.6	-66.8	178.6	174.8	179.9	0	111.5
652	P	28.6	Very low	28.1	Very low	129 Å²	129	151.5 Å²	151.5	84%	0.838	79%	0.789	S	S	*	*				-142.3	158.6	108.8	26.3	-6.2	0	0	0	115.3
653	A	26.9	Very low	27.8	Very low	91 Å²	91	149.4 Å²	149.4	75%	0.752	78%	0.783	S	S	*	*			trans	-79.4	158.7	168.3	0	0	0	0	0	111.2
654	E	26.6	Very low	27.5	Very low	162 Å²	162	153.7 Å²	153.7	76%	0.757	79%	0.792	S	S	*	*			trans	-175.1	118.9	147	-103.4	169.8	-177.4	0	0	109
655	Q	25.8	Very low	27.4	Very low	143 Å²	143	150.9 Å²	150.9	67%	0.668	80%	0.796	S	S	*	*				73.2	135	102.3	-68.9	179.6	24	0	0	112.2
656	Q	25.4	Very low	27	Very low	131 Å²	131	147.5 Å²	147.5	61%	0.612	79%	0.791	S	S	*	*			cis	-179.3	162.7	15.5	-119.6	172.2	38.2	0	0	108.3
657	Q	27.1	Very low	27	Very low	148 Å²	148	147.1 Å²	147.1	69%	0.692	80%	0.797	S	S	*	*			trans	74.6	142.2	153.4	-66.2	164.8	32.4	0	0	117.8
658	Q	25.6	Very low	26.9	Very low	160 Å²	160	138.1 Å²	138.1	75%	0.748	78%	0.783	S	S	*	*			cis	-178.9	132.2	-13	-117.7	163	-4.3	0	0	103.6
659	Q	28.2	Very low	27.3	Very low	197 Å²	197	137.5 Å²	137.5	92%	0.921	79%	0.785	S	S	*	*				174.7	117.1	127.4	-95.2	168	19.6	0	0	110.8
660	Q	24.9	Very low	28.1	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	76%	0.76	S	S	*	*			trans	-74.1	147.1	165.7	-67.5	158.3	-32.9	0	0	109.5
661	S	24.7	Very low	29.4	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	75%	0.745	S	S	*	*				179.1	134.3	119.8	32.4	0	0	0	0	112.1
662	D	27.3	Very low	30.5	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	73%	0.734	S	S	*	*			trans	82.1	92	140.8	-54.4	-14.7	0	0	0	121.9
663	T	27	Very low	32.3	Very low	132 Å²	132	124.9 Å²	124.9	81%	0.81	72%	0.718	S	S	*	*				-16.6	124.6	129.8	-0.7	0	0	0	0	115.9
664	Q	25.9	Very low	34.9	Very low	195 Å²	195	121.4 Å²	121.4	91%	0.911	69%	0.688	S	S	*	*			trans	-171.2	128.5	140.5	-103.1	162	37.1	0	0	109.5
665	G	26.2	Very low	37.8	Very low	79 Å²	79	114.3 Å²	114.3	81%	0.814	66%	0.656	S	S	*	*			trans	-75	149.9	173.8	0	0	0	0	0	111.6
666	A	23.9	Very low	41	Very low	94 Å²	94	107.5 Å²	107.5	78%	0.777	62%	0.624	S	S	*	*			trans	174	149.7	150.4	0	0	0	0	0	109.5	G668	A666-G668 PolarHBondContact O-N 2.97Å; A666-G668 VanDerWaalsContact O-N 3.16Å
667	D	26.6	Very low	44.2	Very low	174 Å²	174	103.8 Å²	103.8	93%	0.93	61%	0.606	S	S	*	*			trans	-28.5	111.6	155.8	-65.5	-54.3	0	0	0	112.7
668	G	28.5	Very low	47.3	Very low	64 Å²	64	96.7 Å²	96.7	66%	0.66	57%	0.573	S	S	*	*			trans	-115.6	90.2	-170.9	0	0	0	0	0	112.1	A666	A666-G668 PolarHBondContact O-N 2.97Å; A666-G668 VanDerWaalsContact O-N 3.16Å
669	A	33.9	Very low	50.4	Low	90 Å²	90	90.5 Å²	90.5	74%	0.744	55%	0.547	S	S	*	.			trans	-45.9	150	179.3	0	0	0	0	0	114.5	V671	A669-V671 PolarHBondContact O-N 3.09Å
670	H	47.3	Very low	53.3	Low	64 Å²	64	83.1 Å²	83.1	30%	0.296	51%	0.514	S	S	.	.			trans	-42.6	131.3	166.5	-75.2	-76.6	0	0	0	110.9	E672 Y718 C748	H670-E672 HydrophobicContact CB-CG 4.17Å; H670-E672 PolarHBondContact O-N 3.08Å; H670-Y718 AromaticContact CE1-CE1 3.97Å; H670-C748 PolarHBondContact CE1-SG 3.17Å; H670-C748 PolarHBondContact ND1-SG 3.14Å
671	V	53.6	Low	56.3	Low	73 Å²	73	74.3 Å²	74.3	44%	0.442	47%	0.473	S	S	.	.			trans	-71.9	89.9	160.1	-176.7	0	0	0	0	106.3	A669 G673 S674 T675	A669-V671 PolarHBondContact O-N 3.09Å; V671-G673 PolarHBondContact O-N 3.22Å; V671-S674 PolarHBondContact O-N 2.9Å; V671-T675 PolarHBondContact O-OG1 2.89Å
672	E	56.8	Low	59.1	Low	139 Å²	139	71 Å²	71	65%	0.65	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	115.7	-179.7	-67.1	-176.9	162.1	0	0	109	H670 P750	H670-E672 HydrophobicContact CB-CG 4.17Å; H670-E672 PolarHBondContact O-N 3.08Å; E672-P750 WeakPolarHBondContact OE1-CB 3.25Å
673	G	66.1	Low	61.9	Low	49 Å²	49	66.1 Å²	66.1	51%	0.505	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.4	-24.5	-178.7	0	0	0	0	0	115	V671 V727	V671-G673 PolarHBondContact O-N 3.22Å; G673-V727 VanDerWaalsContact O-CG2 3.3Å; G673-V727 WeakPolarHBondContact O-CG2 3.16Å
674	S	82.1	Confident	64.5	Low	18 Å²	18	64 Å²	64	13%	0.126	41%	0.409	C	S	.	.	S	Bend	trans	-116.7	4.2	-177.1	-58.2	0	0	0	0	114.5	V671 F721	V671-S674 PolarHBondContact O-N 2.9Å; S674-F721 WeakPolarHBondContact CB-O 3.37Å; S674-F721 PolarHBondContact O-N 3.35Å
675	T	88.1	Confident	67.5	Low	12 Å²	12	54.9 Å²	54.9	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.1	-174.1	-49.3	0	0	0	0	112.5	V671 Y718 V719 C748	V671-T675 PolarHBondContact O-OG1 2.89Å; T675-Y718 HydrophobicContact CG2-CD1 4.5Å; T675-V719 CarbonylContact C-O 3.56Å; T675-V719 WeakPolarHBondContact CA-O 3.38Å; T675-C748 HydrophobicContact CG2-CB 4.09Å; T675-C748 VanDerWaalsContact O-CB 3.25Å; T675-C748 WeakPolarHBondContact O-CB 3.15Å; T675-C748 PolarHBondContact O-N 2.96Å
676	V	92	Very high	70.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.2	170.4	-62.9	0	0	0	0	111.6	V678 F694 Y718 V719 F721 V727 A730 V745 S746	V676-V678 HydrophobicContact CG2-CG2 4.08Å; V676-F694 HydrophobicContact CG2-CE1 4.21Å; V676-F694 HydrophobicContact CG2-CZ 4.46Å; V676-Y718 CarbonylContact O-C 3.59Å; V676-Y718 WeakPolarHBondContact O-CA 3.26Å; V676-V719 HydrophobicContact CG2-CB 3.76Å; V676-V719 HydrophobicContact CG2-CG1 4.49Å; V676-V719 PolarHBondContact N-O 3.41Å; V676-V719 PolarHBondContact O-N 3.4Å; V676-F721 HydrophobicContact CG1-CE2 4.3Å; V676-F721 HydrophobicContact CG2-CE2 3.83Å; V676-V727 HydrophobicContact CG1-CB 4.4Å; V676-V727 HydrophobicContact CG1-CG1 3.9Å; V676-V727 HydrophobicContact CG1-CG2 4.23Å; V676-A730 HydrophobicContact CG1-CB 3.98Å; V676-A730 HydrophobicContact CG2-CB 4.36Å; V676-V745 HydrophobicContact CB-CG1 3.9Å; V676-V745 HydrophobicContact CG1-CG1 4.26Å; V676-V745 HydrophobicContact CG2-CG1 4.04Å; V676-S746 CarbonylContact C-O 3.47Å
677	F	92.2	Very high	73.4	Confident	53 Å²	53	53.6 Å²	53.6	23%	0.232	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131	168.8	173.7	-101.6	0	0	0	109.7	Y716 Y718 V745 S746	F677-Y716 AromaticContact CE2-CD2 3.64Å; F677-Y716 HydrophobicContact CE2-CD2 3.64Å; F677-Y716 HydrophobicContact CE2-CE2 4.41Å; F677-Y716 HydrophobicContact CE2-CG 4.11Å; F677-Y716 HydrophobicContact CZ-CD2 4.25Å; F677-Y716 HydrophobicContact CZ-CG 4.29Å; F677-Y718 HydrophobicContact CB-CD1 4.33Å; F677-Y718 HydrophobicContact CB-CE1 4.27Å; F677-Y718 HydrophobicContact CD2-CD1 4.08Å; F677-Y718 AromaticContact CD2-CE1 3.61Å; F677-Y718 HydrophobicContact CD2-CE1 3.61Å; F677-Y718 HydrophobicContact CD2-CE2 4.29Å; F677-Y718 AromaticContact CD2-CZ 3.72Å; F677-Y718 HydrophobicContact CE2-CE1 4.46Å; F677-Y718 HydrophobicContact CG-CE1 4.4Å; F677-V745 WeakPolarHBondContact O-CA 3.45Å; F677-S746 WeakPolarHBondContact CD1-OG 3.32Å; F677-S746 PolarHBondContact N-O 3.4Å; F677-S746 PolarHBondContact O-N 2.81Å
678	V	91.7	Very high	76.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.7	-175.6	-168.7	0	0	0	0	109.3	V676 L681 L690 F694 Y716 A717 V719 M743 Y744 V745	V676-V678 HydrophobicContact CG2-CG2 4.08Å; V678-L681 HydrophobicContact CG1-CD1 4.25Å; V678-L681 HydrophobicContact CG1-CD2 3.72Å; V678-L681 HydrophobicContact CG1-CG 4.2Å; V678-L690 HydrophobicContact CG1-CD1 4.34Å; V678-F694 HydrophobicContact CB-CE2 4.48Å; V678-F694 HydrophobicContact CB-CZ 4.46Å; V678-F694 HydrophobicContact CG1-CE2 4.09Å; V678-F694 HydrophobicContact CG1-CZ 4.11Å; V678-F694 HydrophobicContact CG2-CE2 3.65Å; V678-F694 HydrophobicContact CG2-CZ 3.46Å; V678-F694 VanDerWaalsContact CG2-CZ 3.46Å; V678-Y716 CarbonylContact O-C 3.56Å; V678-Y716 WeakPolarHBondContact O-CA 3.28Å; V678-Y716 VanDerWaalsContact O-CB 3.25Å; V678-Y716 WeakPolarHBondContact O-CB 3.48Å; V678-A717 PolarHBondContact N-O 2.94Å; V678-A717 PolarHBondContact O-N 2.93Å; V678-V719 HydrophobicContact CG2-CB 4.43Å; V678-V719 HydrophobicContact CG2-CG2 3.74Å; V678-M743 HydrophobicContact CG1-CG 3.28Å; V678-M743 HydrophobicContact CG1-SD 3.46Å; V678-M743 WeakPolarHBondContact CG1-SD 3.37Å; V678-Y744 CarbonylContact C-O 3.58Å; V678-Y744 WeakPolarHBondContact CA-O 3.28Å; V678-V745 HydrophobicContact CG1-CG2 4.5Å
679	S	91	Very high	79.3	Confident	30 Å²	30	52.7 Å²	52.7	21%	0.21	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.7	-178.1	68.2	0	0	0	0	113.5	L681 G715 Y744	S679-L681 PolarHBondContact O-N 2.92Å; S679-G715 CarbonylContact C-O 3.27Å; S679-Y744 PolarHBondContact N-O 3.49Å; S679-Y744 PolarHBondContact O-N 3.09Å
680	N	89.2	Confident	82	Confident	42 Å²	42	48.4 Å²	48.4	23%	0.225	27%	0.269	C	S	.	.	S	Bend	trans	60.8	27.9	-172.5	-168.1	46.2	0	0	0	114.3	G715 R741 P742 Y744	N680-G715 PolarHBondContact N-O 3.1Å; N680-R741 PolarHBondContact OD1-NH2 3.25Å; N680-P742 PolarHBondContact ND2-O 3.11Å; N680-Y744 HydrophobicContact CB-CD2 3.28Å; N680-Y744 HydrophobicContact CB-CE2 3.32Å; N680-Y744 HydrophobicContact CB-CG 4.29Å
681	L	89.2	Confident	84.1	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	27%	0.266	C	S	.	.			trans	-67	151.5	172.9	-58.1	176.8	0	0	0	110.6	V678 S679 L685 L690 M705 G715 A717 R741 M743	V678-L681 HydrophobicContact CG1-CD1 4.25Å; V678-L681 HydrophobicContact CG1-CD2 3.72Å; V678-L681 HydrophobicContact CG1-CG 4.2Å; S679-L681 PolarHBondContact O-N 2.92Å; L681-L685 HydrophobicContact CB-CD2 4.09Å; L681-L685 HydrophobicContact CD1-CD2 4.41Å; L681-L685 HydrophobicContact CD2-CD2 3.73Å; L681-L685 HydrophobicContact CG-CD2 4.29Å; L681-L690 HydrophobicContact CD1-CD1 4.21Å; L681-L690 HydrophobicContact CD1-CD2 3.69Å; L681-L690 HydrophobicContact CD2-CD1 3.74Å; L681-M705 HydrophobicContact CD1-CE 4.22Å; L681-G715 PolarHBondContact N-O 3.27Å; L681-G715 VanDerWaalsContact N-O 3.11Å; L681-A717 HydrophobicContact CD1-CB 3.86Å; L681-R741 PolarHBondContact O-NH1 3.22Å; L681-R741 VanDerWaalsContact O-NH1 3.16Å; L681-R741 PolarHBondContact O-NH2 2.97Å; L681-M743 HydrophobicContact CD2-CB 4.27Å; L681-M743 HydrophobicContact CD2-CG 3.71Å; L681-M743 HydrophobicContact CD2-SD 3.99Å
682	D	83.3	Confident	85.8	Confident	35 Å²	35	46.2 Å²	46.2	19%	0.187	27%	0.27	C	S	.	.			trans	-61.8	144.8	169	-157.5	-76.1	0	0	0	110.7	S684 L685 S713 D739 R741	D682-S684 PolarHBondContact O-N 3.33Å; D682-S684 PolarHBondContact OD1-N 3.18Å; D682-S684 PolarHBondContact OD1-OG 3.01Å; D682-L685 HydrophobicContact CB-CB 4.23Å; D682-L685 WeakPolarHBondContact O-CB 3.42Å; D682-L685 PolarHBondContact O-N 2.86Å; D682-S713 PolarHBondContact O-OG 3.21Å; D682-D739 HydrophobicContact CB-CB 3.94Å; D682-R741 WeakPolarHBondContact OD2-CD 3.19Å; D682-R741 IonicContact OD2-NH1 2.64Å
683	F	86	Confident	87.4	Confident	43 Å²	43	40.6 Å²	40.6	19%	0.189	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.6	-179	-59.7	-55.5	0	0	0	112.2	R712 S713 K809	F683-R712 HydrophobicContact CB-CG 4.23Å; F683-S713 WeakPolarHBondContact CA-OG 3.4Å; F683-S713 WeakPolarHBondContact CD1-O 3.48Å; F683-S713 PolarHBondContact O-N 3.12Å; F683-S713 VanDerWaalsContact O-N 3.11Å; F683-K809 HydrophobicContact CE2-CB 4.27Å; F683-K809 HydrophobicContact CE2-CG 4.47Å
684	S	82.1	Confident	88.6	Confident	87 Å²	87	38.2 Å²	38.2	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-2	172.7	64.1	0	0	0	0	114.6	D682 S686	D682-S684 PolarHBondContact O-N 3.33Å; D682-S684 PolarHBondContact OD1-N 3.18Å; D682-S684 PolarHBondContact OD1-OG 3.01Å; S684-S686 PolarHBondContact O-N 3.47Å
685	L	87.6	Confident	89	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.026	24%	0.24	C	C	.	.			trans	-67.5	126.6	-179.1	-171.2	73.9	0	0	0	110.3	L681 D682 Q689 L690 M705 V738 D739	L681-L685 HydrophobicContact CB-CD2 4.09Å; L681-L685 HydrophobicContact CD1-CD2 4.41Å; L681-L685 HydrophobicContact CD2-CD2 3.73Å; L681-L685 HydrophobicContact CG-CD2 4.29Å; D682-L685 HydrophobicContact CB-CB 4.23Å; D682-L685 WeakPolarHBondContact O-CB 3.42Å; D682-L685 PolarHBondContact O-N 2.86Å; L685-Q689 HydrophobicContact CD1-CB 3.71Å; L685-Q689 HydrophobicContact CG-CB 4.29Å; L685-L690 HydrophobicContact CD2-CB 4.24Å; L685-L690 HydrophobicContact CD2-CD1 3.93Å; L685-M705 WeakPolarHBondContact O-CE 3.36Å; L685-V738 HydrophobicContact CD1-CG1 3.51Å; L685-V738 HydrophobicContact CD2-CG1 3.92Å; L685-V738 HydrophobicContact CG-CG1 4.4Å; L685-D739 WeakPolarHBondContact CD1-OD2 3.42Å
686	S	86.3	Confident	88.8	Confident	47 Å²	47	46 Å²	46	33%	0.329	27%	0.265	S	S	.	.			trans	-82.4	159.4	179.9	83.3	0	0	0	0	112.9	S684 D688 Q689 L690	S684-S686 PolarHBondContact O-N 3.47Å; S686-D688 PolarHBondContact O-N 3.02Å; S686-D688 PolarHBondContact OG-N 3.39Å; S686-Q689 PolarHBondContact O-N 3.48Å; S686-Q689 WeakPolarHBondContact OG-CG 3.13Å; S686-Q689 PolarHBondContact OG-N 3.48Å; S686-Q689 VanDerWaalsContact OG-N 3.07Å; S686-Q689 PolarHBondContact OG-OE1 2.69Å; S686-L690 PolarHBondContact O-N 2.85Å
687	K	89	Confident	88.5	Confident	99 Å²	99	46.9 Å²	46.9	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-56	-39.7	172.7	-177.2	174.2	161.8	159.3	0	111.7	L690 A691 V703	K687-L690 PolarHBondContact O-N 3.13Å; K687-A691 WeakPolarHBondContact O-CB 3.19Å; K687-A691 PolarHBondContact O-N 3.34Å; K687-V703 HydrophobicContact CD-CB 4.31Å; K687-V703 VanDerWaalsContact CD-O 3.27Å; K687-V703 WeakPolarHBondContact CD-O 3.34Å; K687-V703 WeakPolarHBondContact CE-O 3.41Å; K687-V703 HydrophobicContact CG-CB 3.72Å; K687-V703 HydrophobicContact CG-CG1 3.81Å; K687-V703 PolarHBondContact NZ-O 3.13Å
688	D	88.9	Confident	88.2	Confident	129 Å²	129	45.2 Å²	45.2	69%	0.69	27%	0.268	S	S	*	.	H	α-helix	trans	-71.3	-39.3	-179.5	-59.5	-32.2	0	0	0	112.4	S686 L690 A691 A692	S686-D688 PolarHBondContact O-N 3.02Å; S686-D688 PolarHBondContact OG-N 3.39Å; D688-L690 VanDerWaalsContact C-N 3.33Å; D688-A691 PolarHBondContact O-N 3.39Å; D688-A692 WeakPolarHBondContact O-CB 3.42Å; D688-A692 PolarHBondContact O-N 3.06Å
689	Q	88.8	Confident	88	Confident	89 Å²	89	51 Å²	51	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-41.9	173.9	-73.9	172.1	-38.5	0	0	111	L685 S686 A692 V693	L685-Q689 HydrophobicContact CD1-CB 3.71Å; L685-Q689 HydrophobicContact CG-CB 4.29Å; S686-Q689 PolarHBondContact O-N 3.48Å; S686-Q689 WeakPolarHBondContact OG-CG 3.13Å; S686-Q689 PolarHBondContact OG-N 3.48Å; S686-Q689 VanDerWaalsContact OG-N 3.07Å; S686-Q689 PolarHBondContact OG-OE1 2.69Å; Q689-A692 PolarHBondContact O-N 2.89Å; Q689-V693 WeakPolarHBondContact O-CG2 3.45Å; Q689-V693 PolarHBondContact O-N 3.35Å
690	L	90.7	Very high	88	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-41	176.1	-169.2	64.8	0	0	0	111.9	V678 L681 L685 S686 K687 D688 A692 V693 F694 V703 M705 A717 V719 M743	V678-L690 HydrophobicContact CG1-CD1 4.34Å; L681-L690 HydrophobicContact CD1-CD1 4.21Å; L681-L690 HydrophobicContact CD1-CD2 3.69Å; L681-L690 HydrophobicContact CD2-CD1 3.74Å; L685-L690 HydrophobicContact CD2-CB 4.24Å; L685-L690 HydrophobicContact CD2-CD1 3.93Å; S686-L690 PolarHBondContact O-N 2.85Å; K687-L690 PolarHBondContact O-N 3.13Å; D688-L690 VanDerWaalsContact C-N 3.33Å; L690-A692 VanDerWaalsContact C-N 3.33Å; L690-A692 PolarHBondContact O-N 2.74Å; L690-V693 PolarHBondContact O-N 2.94Å; L690-F694 HydrophobicContact CD1-CD2 4.11Å; L690-F694 HydrophobicContact CD1-CE2 3.75Å; L690-F694 HydrophobicContact CG-CD2 4.16Å; L690-F694 HydrophobicContact CG-CE2 4.15Å; L690-F694 WeakPolarHBondContact O-CD2 3.44Å; L690-F694 PolarHBondContact O-N 3.4Å; L690-V703 HydrophobicContact CB-CG1 4.46Å; L690-V703 HydrophobicContact CD2-CG1 3.77Å; L690-V703 HydrophobicContact CG-CG1 4.39Å; L690-M705 HydrophobicContact CB-CE 4.16Å; L690-M705 HydrophobicContact CD2-CE 3.92Å; L690-A717 HydrophobicContact CD2-CB 3.47Å; L690-A717 VanDerWaalsContact CD2-CB 3.47Å; L690-V719 HydrophobicContact CD2-CG2 4.2Å; L690-V719 HydrophobicContact CG-CG2 4.47Å; L690-M743 HydrophobicContact CD1-SD 3.76Å
691	A	91.2	Very high	87.9	Confident	28 Å²	28	55 Å²	55	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-41.6	175.2	0	0	0	0	0	111.9	K687 D688 V693 F694 A695 V703	K687-A691 WeakPolarHBondContact O-CB 3.19Å; K687-A691 PolarHBondContact O-N 3.34Å; D688-A691 PolarHBondContact O-N 3.39Å; A691-V693 VanDerWaalsContact C-N 3.33Å; A691-V693 PolarHBondContact O-N 3.46Å; A691-F694 PolarHBondContact O-N 3.39Å; A691-A695 WeakPolarHBondContact O-CB 3.35Å; A691-A695 PolarHBondContact O-N 3.46Å; A691-V703 HydrophobicContact CB-CG2 3.93Å
692	A	90.2	Very high	87.9	Confident	64 Å²	64	58.2 Å²	58.2	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-36.9	175.8	0	0	0	0	0	113	D688 Q689 L690	D688-A692 WeakPolarHBondContact O-CB 3.42Å; D688-A692 PolarHBondContact O-N 3.06Å; Q689-A692 PolarHBondContact O-N 2.89Å; L690-A692 VanDerWaalsContact C-N 3.33Å; L690-A692 PolarHBondContact O-N 2.74Å
693	V	89.7	Confident	88.3	Confident	20 Å²	20	56.8 Å²	56.8	12%	0.121	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-39.6	176.3	173.9	0	0	0	0	111.7	Q689 L690 A691 V738 M743	Q689-V693 WeakPolarHBondContact O-CG2 3.45Å; Q689-V693 PolarHBondContact O-N 3.35Å; L690-V693 PolarHBondContact O-N 2.94Å; A691-V693 VanDerWaalsContact C-N 3.33Å; A691-V693 PolarHBondContact O-N 3.46Å; V693-V738 HydrophobicContact CG1-CG2 4.23Å; V693-V738 HydrophobicContact CG2-CG1 4.28Å; V693-V738 HydrophobicContact CG2-CG2 4.15Å; V693-M743 HydrophobicContact CG1-CE 3.85Å; V693-M743 HydrophobicContact CG1-SD 4.47Å
694	F	91.9	Very high	88.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-84.7	-13.8	-180	-77.3	-75.2	0	0	0	114.2	V676 V678 L690 A691 E696 V697 G698 V700 V719 F721 A730 L733 M743 V745	V676-F694 HydrophobicContact CG2-CE1 4.21Å; V676-F694 HydrophobicContact CG2-CZ 4.46Å; V678-F694 HydrophobicContact CB-CE2 4.48Å; V678-F694 HydrophobicContact CB-CZ 4.46Å; V678-F694 HydrophobicContact CG1-CE2 4.09Å; V678-F694 HydrophobicContact CG1-CZ 4.11Å; V678-F694 HydrophobicContact CG2-CE2 3.65Å; V678-F694 HydrophobicContact CG2-CZ 3.46Å; V678-F694 VanDerWaalsContact CG2-CZ 3.46Å; L690-F694 HydrophobicContact CD1-CD2 4.11Å; L690-F694 HydrophobicContact CD1-CE2 3.75Å; L690-F694 HydrophobicContact CG-CD2 4.16Å; L690-F694 HydrophobicContact CG-CE2 4.15Å; L690-F694 WeakPolarHBondContact O-CD2 3.44Å; L690-F694 PolarHBondContact O-N 3.4Å; A691-F694 PolarHBondContact O-N 3.39Å; F694-E696 PolarHBondContact O-N 3.13Å; F694-E696 VanDerWaalsContact O-N 3.17Å; F694-V697 HydrophobicContact CB-CG2 4.44Å; F694-V697 HydrophobicContact CD1-CG2 3.95Å; F694-V697 WeakPolarHBondContact O-CG2 3.2Å; F694-V697 PolarHBondContact O-N 3.35Å; F694-V697 VanDerWaalsContact O-N 3.11Å; F694-G698 PolarHBondContact O-N 2.97Å; F694-V700 HydrophobicContact CB-CG2 3.74Å; F694-V719 HydrophobicContact CB-CG1 4.09Å; F694-V719 HydrophobicContact CD2-CB 4.42Å; F694-V719 HydrophobicContact CD2-CG1 4.15Å; F694-V719 HydrophobicContact CD2-CG2 3.8Å; F694-V719 HydrophobicContact CE2-CG2 3.84Å; F694-V719 HydrophobicContact CG-CG1 4.02Å; F694-V719 HydrophobicContact CG-CG2 4.45Å; F694-F721 HydrophobicContact CB-CE1 4.13Å; F694-F721 HydrophobicContact CB-CZ 4.03Å; F694-F721 HydrophobicContact CD1-CE2 4.49Å; F694-F721 AromaticContact CD1-CZ 3.67Å; F694-F721 HydrophobicContact CD1-CZ 3.67Å; F694-F721 HydrophobicContact CG-CZ 4.16Å; F694-A730 HydrophobicContact CD1-CB 4.13Å; F694-A730 HydrophobicContact CE1-CB 3.99Å; F694-L733 HydrophobicContact CD1-CD1 3.63Å; F694-L733 HydrophobicContact CE1-CD1 3.78Å; F694-L733 HydrophobicContact CG-CD1 4.42Å; F694-M743 HydrophobicContact CE1-CE 4.33Å; F694-M743 HydrophobicContact CE2-CE 3.94Å; F694-M743 HydrophobicContact CE2-SD 3.62Å; F694-M743 HydrophobicContact CZ-CE 3.66Å; F694-M743 HydrophobicContact CZ-SD 3.78Å; F694-V745 HydrophobicContact CE1-CG1 4.15Å; F694-V745 HydrophobicContact CE1-CG2 4.14Å; F694-V745 HydrophobicContact CZ-CG1 4.24Å; F694-V745 HydrophobicContact CZ-CG2 3.79Å
695	A	89.2	Confident	88.9	Confident	64 Å²	64	56.9 Å²	56.9	53%	0.529	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.6	173	0	0	0	0	0	113	A691 V697	A691-A695 WeakPolarHBondContact O-CB 3.35Å; A691-A695 PolarHBondContact O-N 3.46Å; A695-V697 VanDerWaalsContact C-N 3.3Å; A695-V697 PolarHBondContact O-N 3.12Å
696	E	84.6	Confident	88.7	Confident	129 Å²	129	60.7 Å²	60.7	60%	0.603	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-22.5	176.5	-64.7	179.1	-163.5	0	0	113.8	F694 R736	F694-E696 PolarHBondContact O-N 3.13Å; F694-E696 VanDerWaalsContact O-N 3.17Å; E696-R736 VanDerWaalsContact CD-NH1 3.28Å; E696-R736 IonicContact OE1-CZ 3.27Å; E696-R736 IonicContact OE1-NH1 3.6Å; E696-R736 PolarHBondContact OE1-NH1 2.91Å; E696-R736 IonicContact OE1-NH2 3.83Å; E696-R736 PolarHBondContact OE1-NH2 3.47Å; E696-R736 IonicContact OE2-CZ 2.86Å; E696-R736 IonicContact OE2-NH1 3.97Å; E696-R736 PolarHBondContact OE2-NH1 3.4Å; E696-R736 IonicContact OE2-NH2 3.01Å; E696-R736 PolarHBondContact OE2-NH2 3.36Å
697	V	85.9	Confident	88.4	Confident	19 Å²	19	61.6 Å²	61.6	12%	0.115	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-16.7	-175.3	-68.4	0	0	0	0	113.6	F694 A695 F721 K729 A730 L733	F694-V697 HydrophobicContact CB-CG2 4.44Å; F694-V697 HydrophobicContact CD1-CG2 3.95Å; F694-V697 WeakPolarHBondContact O-CG2 3.2Å; F694-V697 PolarHBondContact O-N 3.35Å; F694-V697 VanDerWaalsContact O-N 3.11Å; A695-V697 VanDerWaalsContact C-N 3.3Å; A695-V697 PolarHBondContact O-N 3.12Å; V697-F721 HydrophobicContact CG2-CE1 3.87Å; V697-F721 HydrophobicContact CG2-CZ 3.76Å; V697-K729 HydrophobicContact CB-CB 3.8Å; V697-K729 HydrophobicContact CG1-CB 4.04Å; V697-K729 WeakPolarHBondContact O-CD 3.43Å; V697-A730 HydrophobicContact CG2-CB 4.03Å; V697-L733 HydrophobicContact CB-CD1 4.46Å; V697-L733 HydrophobicContact CG1-CD1 3.73Å; V697-L733 HydrophobicContact CG1-CD2 4.21Å; V697-L733 HydrophobicContact CG1-CG 3.88Å; V697-L733 HydrophobicContact CG2-CD1 3.84Å
698	G	85.9	Confident	87.3	Confident	17 Å²	17	61.1 Å²	61.1	18%	0.175	32%	0.324	C	S	.	.	S	Bend	trans	172.6	169.2	176.9	0	0	0	0	0	113	F694 V700	F694-G698 PolarHBondContact O-N 2.97Å; G698-V700 PolarHBondContact O-N 2.98Å
699	E	88.4	Confident	86.4	Confident	122 Å²	122	62.2 Å²	62.2	57%	0.57	32%	0.319	S	S	*	.			trans	-74	115.2	177.9	-164.5	177.4	177.3	0	0	110.5	K722	E699-K722 HydrophobicContact CB-CB 4.42Å; E699-K722 HydrophobicContact CB-CD 4.36Å; E699-K722 HydrophobicContact CB-CG 4.48Å; E699-K722 VanDerWaalsContact CD-CE 3.5Å; E699-K722 HydrophobicContact CG-CD 3.99Å; E699-K722 HydrophobicContact CG-CG 4.41Å; E699-K722 PolarHBondContact O-N 3.49Å; E699-K722 VanDerWaalsContact OE1-CE 3.27Å; E699-K722 WeakPolarHBondContact OE1-CE 3.1Å; E699-K722 IonicContact OE1-NZ 2.62Å; E699-K722 PolarHBondContact OE1-NZ 2.65Å; E699-K722 WeakPolarHBondContact OE2-CD 3.42Å; E699-K722 IonicContact OE2-NZ 3.4Å; E699-K722 PolarHBondContact OE2-NZ 3.36Å
700	V	89.2	Confident	85.3	Confident	35 Å²	35	62.1 Å²	62.1	21%	0.212	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.4	-177.6	-179.2	0	0	0	0	109.8	F694 G698 V703 V719 F721	F694-V700 HydrophobicContact CB-CG2 3.74Å; G698-V700 PolarHBondContact O-N 2.98Å; V700-V703 HydrophobicContact CG1-CG2 3.63Å; V700-V719 HydrophobicContact CG1-CG1 3.85Å; V700-V719 HydrophobicContact CG2-CG1 4.19Å; V700-F721 HydrophobicContact CG2-CD1 4.28Å; V700-F721 HydrophobicContact CG2-CE1 3.96Å
701	K	88	Confident	84.1	Confident	122 Å²	122	64.6 Å²	64.6	53%	0.53	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-44.9	175.2	179.6	178.3	165.3	-160.3	0	111.1	E720 K722	K701-E720 WeakPolarHBondContact CA-O 3.34Å; K701-E720 HydrophobicContact CB-CG 4.34Å; K701-E720 WeakPolarHBondContact CB-O 3.48Å; K701-E720 HydrophobicContact CD-CG 4.22Å; K701-E720 WeakPolarHBondContact CD-OE1 3.32Å; K701-E720 WeakPolarHBondContact CE-OE1 3.06Å; K701-E720 PolarHBondContact N-O 3.14Å; K701-E720 IonicContact NZ-OE1 3.29Å; K701-E720 PolarHBondContact NZ-OE1 2.92Å; K701-K722 HydrophobicContact CB-CG 4.07Å
702	E	89.8	Confident	83.3	Confident	68 Å²	68	68.4 Å²	68.4	32%	0.318	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	142.6	-178	-160.4	-170.2	171.7	0	0	111.8	R704 E720	E702-R704 VanDerWaalsContact CD-NE 3.29Å; E702-R704 HydrophobicContact CG-CG 4.22Å; E702-R704 VanDerWaalsContact OE1-CG 3.32Å; E702-R704 WeakPolarHBondContact OE1-CG 3.27Å; E702-R704 IonicContact OE1-NE 3.23Å; E702-R704 PolarHBondContact OE1-NE 3.48Å; E702-R704 IonicContact OE2-CZ 2.92Å; E702-R704 VanDerWaalsContact OE2-CZ 3.24Å; E702-R704 IonicContact OE2-NE 3.91Å; E702-R704 PolarHBondContact OE2-NE 3.44Å; E702-R704 IonicContact OE2-NH2 3.2Å; E702-R704 PolarHBondContact OE2-NH2 3.25Å; E702-E720 HydrophobicContact CB-CB 4.22Å; E702-E720 PolarHBondContact N-O 3.15Å; E702-E720 PolarHBondContact O-N 3.23Å
703	V	91.2	Very high	83.1	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.2	166.6	179.2	0	0	0	0	108.9	K687 L690 A691 V700 A717 Y718 V719	K687-V703 HydrophobicContact CD-CB 4.31Å; K687-V703 VanDerWaalsContact CD-O 3.27Å; K687-V703 WeakPolarHBondContact CD-O 3.34Å; K687-V703 WeakPolarHBondContact CE-O 3.41Å; K687-V703 HydrophobicContact CG-CB 3.72Å; K687-V703 HydrophobicContact CG-CG1 3.81Å; K687-V703 PolarHBondContact NZ-O 3.13Å; L690-V703 HydrophobicContact CB-CG1 4.46Å; L690-V703 HydrophobicContact CD2-CG1 3.77Å; L690-V703 HydrophobicContact CG-CG1 4.39Å; A691-V703 HydrophobicContact CB-CG2 3.93Å; V700-V703 HydrophobicContact CG1-CG2 3.63Å; V703-A717 HydrophobicContact CG1-CB 4.48Å; V703-Y718 CarbonylContact C-O 3.57Å; V703-Y718 WeakPolarHBondContact CA-O 3.48Å; V703-V719 HydrophobicContact CG1-CG2 4.38Å; V703-V719 HydrophobicContact CG2-CG1 4.39Å; V703-V719 HydrophobicContact CG2-CG2 4.28Å
704	R	90.1	Very high	82.8	Confident	107 Å²	107	69.3 Å²	69.3	40%	0.404	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	90.2	174.2	-60.4	-177.6	-154.4	171.5	12.6	109.3	E702 A717 Y718 E720	E702-R704 VanDerWaalsContact CD-NE 3.29Å; E702-R704 HydrophobicContact CG-CG 4.22Å; E702-R704 VanDerWaalsContact OE1-CG 3.32Å; E702-R704 WeakPolarHBondContact OE1-CG 3.27Å; E702-R704 IonicContact OE1-NE 3.23Å; E702-R704 PolarHBondContact OE1-NE 3.48Å; E702-R704 IonicContact OE2-CZ 2.92Å; E702-R704 VanDerWaalsContact OE2-CZ 3.24Å; E702-R704 IonicContact OE2-NE 3.91Å; E702-R704 PolarHBondContact OE2-NE 3.44Å; E702-R704 IonicContact OE2-NH2 3.2Å; E702-R704 PolarHBondContact OE2-NH2 3.25Å; R704-A717 CarbonylContact O-C 3.55Å; R704-A717 WeakPolarHBondContact O-CA 3.32Å; R704-Y718 PolarHBondContact N-O 3.36Å; R704-Y718 PolarHBondContact O-N 3.18Å; R704-E720 IonicContact NH2-OE2 2.71Å; R704-E720 PolarHBondContact NH2-OE2 3.49Å
705	M	89.6	Confident	82.5	Confident	25 Å²	25	69.6 Å²	69.6	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.7	176.9	-174.9	176	-73.4	0	0	110.6	L681 L685 L690 M707 A717	L681-M705 HydrophobicContact CD1-CE 4.22Å; L685-M705 WeakPolarHBondContact O-CE 3.36Å; L690-M705 HydrophobicContact CB-CE 4.16Å; L690-M705 HydrophobicContact CD2-CE 3.92Å; M705-M707 HydrophobicContact CG-SD 3.95Å; M705-M707 HydrophobicContact SD-SD 4.05Å; M705-A717 HydrophobicContact CB-CB 4.07Å; M705-A717 HydrophobicContact CG-CB 4.28Å
706	M	84.3	Confident	82.7	Confident	86 Å²	86	69.9 Å²	69.9	42%	0.424	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.9	-175.5	-146.8	56.4	-110.3	0	0	110.6	K714 Y716	M706-K714 HydrophobicContact CG-CD 4.17Å; M706-K714 WeakPolarHBondContact O-CB 3.36Å; M706-K714 PolarHBondContact O-N 3.36Å; M706-Y716 HydrophobicContact CB-CD2 4Å; M706-Y716 HydrophobicContact CB-CE1 4.14Å; M706-Y716 HydrophobicContact CB-CE2 3.44Å; M706-Y716 VanDerWaalsContact CB-CE2 3.44Å; M706-Y716 HydrophobicContact CG-CE2 3.85Å; M706-Y716 WeakPolarHBondContact CG-OH 3.15Å; M706-Y716 PolarHBondContact N-O 3.38Å; M706-Y716 VanDerWaalsContact N-O 3.08Å
707	M	79.8	Confident	83.1	Confident	65 Å²	65	63.7 Å²	63.7	32%	0.32	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.8	-172.7	-55.8	-58.2	-83.1	0	0	111.9	M705 P710 K714	M705-M707 HydrophobicContact CG-SD 3.95Å; M705-M707 HydrophobicContact SD-SD 4.05Å; M707-P710 WeakPolarHBondContact CE-O 3.46Å; M707-K714 VanDerWaalsContact O-CE 3.31Å; M707-K714 WeakPolarHBondContact O-CE 3.34Å
708	L	65.4	Low	83.5	Confident	90 Å²	90	66.3 Å²	66.3	47%	0.471	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-41.4	170.3	-175.6	74	0	0	0	110.1	R712 K714	L708-R712 WeakPolarHBondContact CB-O 3.4Å; L708-R712 PolarHBondContact N-O 2.96Å; L708-K714 HydrophobicContact CB-CG 3.98Å; L708-K714 HydrophobicContact CD1-CG 4.44Å
709	R	70.7	Confident	83.8	Confident	151 Å²	151	65.5 Å²	65.5	57%	0.57	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.2	174.1	-59.8	-173.2	-165	137.8	-0	107	N711 R712	R709-N711 PolarHBondContact O-N 3Å; R709-R712 PolarHBondContact N-O 3.17Å; R709-R712 PolarHBondContact O-N 3.37Å
710	P	65.1	Low	83.9	Confident	87 Å²	87	60.1 Å²	60.1	57%	0.565	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-30.8	-171.8	-31.7	37.1	0	0	0	115.9	E542 M707	E542-P710 HydrophobicContact CG-CB 4.09Å; M707-P710 WeakPolarHBondContact CE-O 3.46Å
711	N	65.6	Low	84.1	Confident	53 Å²	53	58.5 Å²	58.5	28%	0.283	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	28.4	178.2	-63.2	-63.6	0	0	0	115.9	E541 E542 R709	E541-N711 VanDerWaalsContact CA-CB 3.47Å; E541-N711 WeakPolarHBondContact CA-ND2 3.41Å; E541-N711 HydrophobicContact CB-CB 3.36Å; E541-N711 HydrophobicContact CG-CB 3.6Å; E541-N711 PolarHBondContact O-ND2 3.44Å; E541-N711 PolarHBondContact O-OD1 2.88Å; E542-N711 WeakPolarHBondContact CA-ND2 3.39Å; E542-N711 WeakPolarHBondContact CB-ND2 3.39Å; E542-N711 WeakPolarHBondContact CG-ND2 3.3Å; E542-N711 PolarHBondContact N-ND2 2.88Å; R709-N711 PolarHBondContact O-N 3Å
712	R	74.4	Confident	84	Confident	108 Å²	108	58.8 Å²	58.8	41%	0.408	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	103.3	171.8	-163.3	170.3	-178	-126.3	3.1	107.8	F683 L708 R709	F683-R712 HydrophobicContact CB-CG 4.23Å; L708-R712 WeakPolarHBondContact CB-O 3.4Å; L708-R712 PolarHBondContact N-O 2.96Å; R709-R712 PolarHBondContact N-O 3.17Å; R709-R712 PolarHBondContact O-N 3.37Å
713	S	85.3	Confident	83.9	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.014	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	154.7	174.5	84.5	0	0	0	0	110	D682 F683 G715	D682-S713 PolarHBondContact O-OG 3.21Å; F683-S713 WeakPolarHBondContact CA-OG 3.4Å; F683-S713 WeakPolarHBondContact CD1-O 3.48Å; F683-S713 PolarHBondContact O-N 3.12Å; F683-S713 VanDerWaalsContact O-N 3.11Å; S713-G715 PolarHBondContact O-N 3.5Å; S713-G715 PolarHBondContact OG-N 2.93Å; S713-G715 VanDerWaalsContact OG-N 3.12Å
714	K	84.8	Confident	83.6	Confident	101 Å²	101	60.6 Å²	60.6	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-0.4	166.5	-70.9	-179.8	178.2	174.9	0	111.5	M706 M707 L708 Y716	M706-K714 HydrophobicContact CG-CD 4.17Å; M706-K714 WeakPolarHBondContact O-CB 3.36Å; M706-K714 PolarHBondContact O-N 3.36Å; M707-K714 VanDerWaalsContact O-CE 3.31Å; M707-K714 WeakPolarHBondContact O-CE 3.34Å; L708-K714 HydrophobicContact CB-CG 3.98Å; L708-K714 HydrophobicContact CD1-CG 4.44Å; K714-Y716 HydrophobicContact CB-CD1 3.84Å; K714-Y716 HydrophobicContact CB-CE1 3.5Å; K714-Y716 VanDerWaalsContact CB-CE1 3.5Å; K714-Y716 HydrophobicContact CD-CE1 4.05Å; K714-Y716 HydrophobicContact CG-CE1 4.4Å
715	G	85.7	Confident	83.4	Confident	6 Å²	6	60.9 Å²	60.9	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.1	20.4	180	0	0	0	0	0	114.8	S679 N680 L681 S713	S679-G715 CarbonylContact C-O 3.27Å; N680-G715 PolarHBondContact N-O 3.1Å; L681-G715 PolarHBondContact N-O 3.27Å; L681-G715 VanDerWaalsContact N-O 3.11Å; S713-G715 PolarHBondContact O-N 3.5Å; S713-G715 PolarHBondContact OG-N 2.93Å; S713-G715 VanDerWaalsContact OG-N 3.12Å
716	Y	93.2	Very high	83.4	Confident	69 Å²	69	60.1 Å²	60.1	27%	0.271	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.8	174.3	69.8	-90.1	0	0	0	112.6	F677 V678 M706 K714 Y718	F677-Y716 AromaticContact CE2-CD2 3.64Å; F677-Y716 HydrophobicContact CE2-CD2 3.64Å; F677-Y716 HydrophobicContact CE2-CE2 4.41Å; F677-Y716 HydrophobicContact CE2-CG 4.11Å; F677-Y716 HydrophobicContact CZ-CD2 4.25Å; F677-Y716 HydrophobicContact CZ-CG 4.29Å; V678-Y716 CarbonylContact O-C 3.56Å; V678-Y716 WeakPolarHBondContact O-CA 3.28Å; V678-Y716 VanDerWaalsContact O-CB 3.25Å; V678-Y716 WeakPolarHBondContact O-CB 3.48Å; M706-Y716 HydrophobicContact CB-CD2 4Å; M706-Y716 HydrophobicContact CB-CE1 4.14Å; M706-Y716 HydrophobicContact CB-CE2 3.44Å; M706-Y716 VanDerWaalsContact CB-CE2 3.44Å; M706-Y716 HydrophobicContact CG-CE2 3.85Å; M706-Y716 WeakPolarHBondContact CG-OH 3.15Å; M706-Y716 PolarHBondContact N-O 3.38Å; M706-Y716 VanDerWaalsContact N-O 3.08Å; K714-Y716 HydrophobicContact CB-CD1 3.84Å; K714-Y716 HydrophobicContact CB-CE1 3.5Å; K714-Y716 VanDerWaalsContact CB-CE1 3.5Å; K714-Y716 HydrophobicContact CD-CE1 4.05Å; K714-Y716 HydrophobicContact CG-CE1 4.4Å; Y716-Y718 HydrophobicContact CD2-CE2 4.48Å; Y716-Y718 HydrophobicContact CE2-CE2 4.33Å
717	A	92.5	Very high	83.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	165.2	-178.2	0	0	0	0	0	111.6	V678 L681 L690 V703 R704 M705	V678-A717 PolarHBondContact N-O 2.94Å; V678-A717 PolarHBondContact O-N 2.93Å; L681-A717 HydrophobicContact CD1-CB 3.86Å; L690-A717 HydrophobicContact CD2-CB 3.47Å; L690-A717 VanDerWaalsContact CD2-CB 3.47Å; V703-A717 HydrophobicContact CG1-CB 4.48Å; R704-A717 CarbonylContact O-C 3.55Å; R704-A717 WeakPolarHBondContact O-CA 3.32Å; M705-A717 HydrophobicContact CB-CB 4.07Å; M705-A717 HydrophobicContact CG-CB 4.28Å
718	Y	93.9	Very high	83.7	Confident	74 Å²	74	57.8 Å²	57.8	29%	0.29	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.5	166.4	-60.4	-95.8	0	0	0	109	H670 T675 V676 F677 V703 R704 Y716 C748	H670-Y718 AromaticContact CE1-CE1 3.97Å; T675-Y718 HydrophobicContact CG2-CD1 4.5Å; V676-Y718 CarbonylContact O-C 3.59Å; V676-Y718 WeakPolarHBondContact O-CA 3.26Å; F677-Y718 HydrophobicContact CB-CD1 4.33Å; F677-Y718 HydrophobicContact CB-CE1 4.27Å; F677-Y718 HydrophobicContact CD2-CD1 4.08Å; F677-Y718 AromaticContact CD2-CE1 3.61Å; F677-Y718 HydrophobicContact CD2-CE1 3.61Å; F677-Y718 HydrophobicContact CD2-CE2 4.29Å; F677-Y718 AromaticContact CD2-CZ 3.72Å; F677-Y718 HydrophobicContact CE2-CE1 4.46Å; F677-Y718 HydrophobicContact CG-CE1 4.4Å; V703-Y718 CarbonylContact C-O 3.57Å; V703-Y718 WeakPolarHBondContact CA-O 3.48Å; R704-Y718 PolarHBondContact N-O 3.36Å; R704-Y718 PolarHBondContact O-N 3.18Å; Y716-Y718 HydrophobicContact CD2-CE2 4.48Å; Y716-Y718 HydrophobicContact CE2-CE2 4.33Å; Y718-C748 VanDerWaalsContact CD1-SG 3.59Å; Y718-C748 VanDerWaalsContact CE1-SG 3.57Å
719	V	92.5	Very high	84.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.3	179.2	-179.1	0	0	0	0	108.2	T675 V676 V678 L690 F694 V700 V703 F721	T675-V719 CarbonylContact C-O 3.56Å; T675-V719 WeakPolarHBondContact CA-O 3.38Å; V676-V719 HydrophobicContact CG2-CB 3.76Å; V676-V719 HydrophobicContact CG2-CG1 4.49Å; V676-V719 PolarHBondContact N-O 3.41Å; V676-V719 PolarHBondContact O-N 3.4Å; V678-V719 HydrophobicContact CG2-CB 4.43Å; V678-V719 HydrophobicContact CG2-CG2 3.74Å; L690-V719 HydrophobicContact CD2-CG2 4.2Å; L690-V719 HydrophobicContact CG-CG2 4.47Å; F694-V719 HydrophobicContact CB-CG1 4.09Å; F694-V719 HydrophobicContact CD2-CB 4.42Å; F694-V719 HydrophobicContact CD2-CG1 4.15Å; F694-V719 HydrophobicContact CD2-CG2 3.8Å; F694-V719 HydrophobicContact CE2-CG2 3.84Å; F694-V719 HydrophobicContact CG-CG1 4.02Å; F694-V719 HydrophobicContact CG-CG2 4.45Å; V700-V719 HydrophobicContact CG1-CG1 3.85Å; V700-V719 HydrophobicContact CG2-CG1 4.19Å; V703-V719 HydrophobicContact CG1-CG2 4.38Å; V703-V719 HydrophobicContact CG2-CG1 4.39Å; V703-V719 HydrophobicContact CG2-CG2 4.28Å; V719-F721 HydrophobicContact CG1-CE1 4.49Å; V719-F721 HydrophobicContact CG1-CE2 4.2Å; V719-F721 HydrophobicContact CG1-CZ 4.08Å
720	E	91.9	Very high	85.7	Confident	8 Å²	8	52 Å²	52	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.2	176.9	-171.6	179.6	168.6	0	0	109	K701 E702 R704	K701-E720 WeakPolarHBondContact CA-O 3.34Å; K701-E720 HydrophobicContact CB-CG 4.34Å; K701-E720 WeakPolarHBondContact CB-O 3.48Å; K701-E720 HydrophobicContact CD-CG 4.22Å; K701-E720 WeakPolarHBondContact CD-OE1 3.32Å; K701-E720 WeakPolarHBondContact CE-OE1 3.06Å; K701-E720 PolarHBondContact N-O 3.14Å; K701-E720 IonicContact NZ-OE1 3.29Å; K701-E720 PolarHBondContact NZ-OE1 2.92Å; E702-E720 HydrophobicContact CB-CB 4.22Å; E702-E720 PolarHBondContact N-O 3.15Å; E702-E720 PolarHBondContact O-N 3.23Å; R704-E720 IonicContact NH2-OE2 2.71Å; R704-E720 PolarHBondContact NH2-OE2 3.49Å
721	F	92.1	Very high	86.7	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	154.2	175.3	-68.2	-80	0	0	0	111.4	S674 V676 F694 V697 V700 V719 S723 S726 V727 A730	S674-F721 WeakPolarHBondContact CB-O 3.37Å; S674-F721 PolarHBondContact O-N 3.35Å; V676-F721 HydrophobicContact CG1-CE2 4.3Å; V676-F721 HydrophobicContact CG2-CE2 3.83Å; F694-F721 HydrophobicContact CB-CE1 4.13Å; F694-F721 HydrophobicContact CB-CZ 4.03Å; F694-F721 HydrophobicContact CD1-CE2 4.49Å; F694-F721 AromaticContact CD1-CZ 3.67Å; F694-F721 HydrophobicContact CD1-CZ 3.67Å; F694-F721 HydrophobicContact CG-CZ 4.16Å; V697-F721 HydrophobicContact CG2-CE1 3.87Å; V697-F721 HydrophobicContact CG2-CZ 3.76Å; V700-F721 HydrophobicContact CG2-CD1 4.28Å; V700-F721 HydrophobicContact CG2-CE1 3.96Å; V719-F721 HydrophobicContact CG1-CE1 4.49Å; V719-F721 HydrophobicContact CG1-CE2 4.2Å; V719-F721 HydrophobicContact CG1-CZ 4.08Å; F721-S723 VanDerWaalsContact C-N 3.28Å; F721-S723 WeakPolarHBondContact CB-O 3.43Å; F721-S726 VanDerWaalsContact CG-CB 3.47Å; F721-V727 HydrophobicContact CD2-CG2 4.35Å; F721-A730 HydrophobicContact CE2-CB 3.58Å; F721-A730 HydrophobicContact CZ-CB 3.68Å
722	K	86.9	Confident	87.7	Confident	128 Å²	128	52.9 Å²	52.9	56%	0.557	27%	0.271	S	S	*	.	S	Bend	trans	-66.8	-29.8	168.6	-74.4	-165.1	-173.1	173.3	0	112.9	E699 K701	E699-K722 HydrophobicContact CB-CB 4.42Å; E699-K722 HydrophobicContact CB-CD 4.36Å; E699-K722 HydrophobicContact CB-CG 4.48Å; E699-K722 VanDerWaalsContact CD-CE 3.5Å; E699-K722 HydrophobicContact CG-CD 3.99Å; E699-K722 HydrophobicContact CG-CG 4.41Å; E699-K722 PolarHBondContact O-N 3.49Å; E699-K722 VanDerWaalsContact OE1-CE 3.27Å; E699-K722 WeakPolarHBondContact OE1-CE 3.1Å; E699-K722 IonicContact OE1-NZ 2.62Å; E699-K722 PolarHBondContact OE1-NZ 2.65Å; E699-K722 WeakPolarHBondContact OE2-CD 3.42Å; E699-K722 IonicContact OE2-NZ 3.4Å; E699-K722 PolarHBondContact OE2-NZ 3.36Å; K701-K722 HydrophobicContact CB-CG 4.07Å
723	S	86	Confident	88.3	Confident	49 Å²	49	48.4 Å²	48.4	34%	0.343	26%	0.255	S	S	.	.	S	Bend	trans	-123.9	132.8	-179.9	174.9	0	0	0	0	112	F721 D725 S726	F721-S723 VanDerWaalsContact C-N 3.28Å; F721-S723 WeakPolarHBondContact CB-O 3.43Å; S723-D725 PolarHBondContact O-N 2.95Å; S723-D725 PolarHBondContact OG-N 2.96Å; S723-S726 VanDerWaalsContact O-CB 3.27Å; S723-S726 WeakPolarHBondContact O-CB 3.48Å; S723-S726 PolarHBondContact O-N 3.28Å; S723-S726 VanDerWaalsContact O-N 3.09Å; S723-S726 PolarHBondContact O-OG 3.02Å
724	S	85.4	Confident	88.3	Confident	62 Å²	62	50.6 Å²	50.6	43%	0.434	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.1	173.1	140.7	0	0	0	0	112.5	S726 V727 P728	S724-S726 PolarHBondContact O-N 2.72Å; S724-V727 WeakPolarHBondContact O-CB 3.28Å; S724-V727 PolarHBondContact O-N 2.67Å; S724-P728 WeakPolarHBondContact O-CD 3.28Å
725	D	86.1	Confident	88.1	Confident	113 Å²	113	51 Å²	51	60%	0.604	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	178.1	-60.3	-23.9	0	0	0	113.4	S723	S723-D725 PolarHBondContact O-N 2.95Å; S723-D725 PolarHBondContact OG-N 2.96Å
726	S	89.3	Confident	88.1	Confident	8 Å²	8	54.6 Å²	54.6	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-80.7	-20.9	177.3	-42.5	0	0	0	0	112.1	F721 S723 S724 K729 A730	F721-S726 VanDerWaalsContact CG-CB 3.47Å; S723-S726 VanDerWaalsContact O-CB 3.27Å; S723-S726 WeakPolarHBondContact O-CB 3.48Å; S723-S726 PolarHBondContact O-N 3.28Å; S723-S726 VanDerWaalsContact O-N 3.09Å; S723-S726 PolarHBondContact O-OG 3.02Å; S724-S726 PolarHBondContact O-N 2.72Å; S726-K729 PolarHBondContact O-N 2.86Å; S726-A730 VanDerWaalsContact O-CB 3.3Å; S726-A730 WeakPolarHBondContact O-CB 3.37Å; S726-A730 PolarHBondContact O-N 2.81Å
727	V	87.2	Confident	87.5	Confident	14 Å²	14	54.8 Å²	54.8	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-47.9	-177.3	172.8	0	0	0	0	112.6	G673 V676 F721 S724 K729 A730 L731	G673-V727 VanDerWaalsContact O-CG2 3.3Å; G673-V727 WeakPolarHBondContact O-CG2 3.16Å; V676-V727 HydrophobicContact CG1-CB 4.4Å; V676-V727 HydrophobicContact CG1-CG1 3.9Å; V676-V727 HydrophobicContact CG1-CG2 4.23Å; F721-V727 HydrophobicContact CD2-CG2 4.35Å; S724-V727 WeakPolarHBondContact O-CB 3.28Å; S724-V727 PolarHBondContact O-N 2.67Å; V727-K729 PolarHBondContact O-N 2.65Å; V727-A730 PolarHBondContact O-N 2.84Å; V727-L731 WeakPolarHBondContact O-CG 3.47Å; V727-L731 PolarHBondContact O-N 3.47Å
728	P	84.8	Confident	86.9	Confident	88 Å²	88	55.5 Å²	55.5	57%	0.571	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-36.7	174.7	-21.5	32.2	0	0	0	112.5	S724 L731	S724-P728 WeakPolarHBondContact O-CD 3.28Å; P728-L731 PolarHBondContact O-N 2.7Å
729	K	87.9	Confident	86.3	Confident	120 Å²	120	56.1 Å²	56.1	52%	0.522	30%	0.295	S	S	.	.	H	α-helix	trans	-69.2	-40.7	176.6	-60.6	177	-174.4	173.1	0	111.1	V697 S726 V727 L731 S732	V697-K729 HydrophobicContact CB-CB 3.8Å; V697-K729 HydrophobicContact CG1-CB 4.04Å; V697-K729 WeakPolarHBondContact O-CD 3.43Å; S726-K729 PolarHBondContact O-N 2.86Å; V727-K729 PolarHBondContact O-N 2.65Å; K729-L731 VanDerWaalsContact C-N 3.31Å; K729-L731 PolarHBondContact O-N 2.72Å; K729-S732 WeakPolarHBondContact O-CB 3.08Å; K729-S732 PolarHBondContact O-N 3.23Å; K729-S732 PolarHBondContact O-OG 3.03Å
730	A	88.4	Confident	85.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-34.7	175.9	0	0	0	0	0	112.6	V676 F694 V697 F721 S726 V727 S732 L733 V745	V676-A730 HydrophobicContact CG1-CB 3.98Å; V676-A730 HydrophobicContact CG2-CB 4.36Å; F694-A730 HydrophobicContact CD1-CB 4.13Å; F694-A730 HydrophobicContact CE1-CB 3.99Å; V697-A730 HydrophobicContact CG2-CB 4.03Å; F721-A730 HydrophobicContact CE2-CB 3.58Å; F721-A730 HydrophobicContact CZ-CB 3.68Å; S726-A730 VanDerWaalsContact O-CB 3.3Å; S726-A730 WeakPolarHBondContact O-CB 3.37Å; S726-A730 PolarHBondContact O-N 2.81Å; V727-A730 PolarHBondContact O-N 2.84Å; A730-S732 PolarHBondContact O-N 3.17Å; A730-L733 VanDerWaalsContact O-CB 3.31Å; A730-L733 WeakPolarHBondContact O-CB 3.47Å; A730-L733 PolarHBondContact O-N 2.91Å; A730-V745 WeakPolarHBondContact O-CG1 3.42Å
731	L	86.5	Confident	84.7	Confident	64 Å²	64	59.6 Å²	59.6	34%	0.335	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-24.9	173.1	-67.1	172.2	0	0	0	112.7	V727 P728 K729 L733 D734 V745 V747	V727-L731 WeakPolarHBondContact O-CG 3.47Å; V727-L731 PolarHBondContact O-N 3.47Å; P728-L731 PolarHBondContact O-N 2.7Å; K729-L731 VanDerWaalsContact C-N 3.31Å; K729-L731 PolarHBondContact O-N 2.72Å; L731-L733 PolarHBondContact O-N 3.36Å; L731-D734 WeakPolarHBondContact O-CB 2.67Å; L731-D734 PolarHBondContact O-N 3.04Å; L731-V745 HydrophobicContact CD2-CG1 4.49Å; L731-V747 HydrophobicContact CD1-CG2 3.86Å; L731-V747 HydrophobicContact CD2-CG2 4.03Å; L731-V747 HydrophobicContact CG-CG2 4.46Å
732	S	86.7	Confident	84.2	Confident	94 Å²	94	60 Å²	60	66%	0.657	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.7	173.1	79.5	0	0	0	0	113.7	K729 A730 D734	K729-S732 WeakPolarHBondContact O-CB 3.08Å; K729-S732 PolarHBondContact O-N 3.23Å; K729-S732 PolarHBondContact O-OG 3.03Å; A730-S732 PolarHBondContact O-N 3.17Å; S732-D734 VanDerWaalsContact C-N 3.31Å
733	L	86.9	Confident	84.4	Confident	15 Å²	15	54 Å²	54	8%	0.079	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.5	172.6	-59	178.1	0	0	0	113	F694 V697 A730 L731 R735 R736 M743 V745	F694-L733 HydrophobicContact CD1-CD1 3.63Å; F694-L733 HydrophobicContact CE1-CD1 3.78Å; F694-L733 HydrophobicContact CG-CD1 4.42Å; V697-L733 HydrophobicContact CB-CD1 4.46Å; V697-L733 HydrophobicContact CG1-CD1 3.73Å; V697-L733 HydrophobicContact CG1-CD2 4.21Å; V697-L733 HydrophobicContact CG1-CG 3.88Å; V697-L733 HydrophobicContact CG2-CD1 3.84Å; A730-L733 VanDerWaalsContact O-CB 3.31Å; A730-L733 WeakPolarHBondContact O-CB 3.47Å; A730-L733 PolarHBondContact O-N 2.91Å; L731-L733 PolarHBondContact O-N 3.36Å; L733-R735 PolarHBondContact O-N 3.34Å; L733-R736 VanDerWaalsContact O-CB 3.27Å; L733-R736 WeakPolarHBondContact O-CB 3.28Å; L733-R736 PolarHBondContact O-N 2.74Å; L733-R736 VanDerWaalsContact O-N 3.08Å; L733-M743 HydrophobicContact CB-CE 3.93Å; L733-V745 HydrophobicContact CB-CG2 4.31Å
734	D	84.9	Confident	84.5	Confident	47 Å²	47	53.6 Å²	53.6	25%	0.251	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	130.5	174.7	-171.7	51.1	0	0	0	110.4	L731 S732 R736 Y744 V745	L731-D734 WeakPolarHBondContact O-CB 2.67Å; L731-D734 PolarHBondContact O-N 3.04Å; S732-D734 VanDerWaalsContact C-N 3.31Å; D734-R736 VanDerWaalsContact C-N 3.3Å; D734-R736 PolarHBondContact O-N 3.1Å; D734-Y744 WeakPolarHBondContact OD1-CA 3.28Å; D734-V745 HydrophobicContact CB-CB 4.47Å; D734-V745 PolarHBondContact OD1-N 3.24Å
735	R	81.4	Confident	84.7	Confident	109 Å²	109	51.1 Å²	51.1	41%	0.411	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	7.6	-176.2	-48.3	180	176	-157.6	-0.5	116.3	L733 L737 P742 M743 Y744	L733-R735 PolarHBondContact O-N 3.34Å; R735-L737 PolarHBondContact O-N 3.06Å; R735-P742 HydrophobicContact CB-CB 4.46Å; R735-M743 VanDerWaalsContact CA-O 3.25Å; R735-M743 WeakPolarHBondContact CA-O 3.13Å; R735-M743 PolarHBondContact N-O 3.31Å; R735-Y744 HydrophobicContact CG-CD1 4.26Å; R735-Y744 HydrophobicContact CG-CE1 4.17Å
736	R	85	Confident	84.8	Confident	83 Å²	83	48 Å²	48	31%	0.313	26%	0.258	S	S	.	.			trans	-60.3	134.2	171.6	-176.3	174.2	178.1	176.5	2.9	110.6	E696 L733 D734 V738 P742 M743	E696-R736 VanDerWaalsContact CD-NH1 3.28Å; E696-R736 IonicContact OE1-CZ 3.27Å; E696-R736 IonicContact OE1-NH1 3.6Å; E696-R736 PolarHBondContact OE1-NH1 2.91Å; E696-R736 IonicContact OE1-NH2 3.83Å; E696-R736 PolarHBondContact OE1-NH2 3.47Å; E696-R736 IonicContact OE2-CZ 2.86Å; E696-R736 IonicContact OE2-NH1 3.97Å; E696-R736 PolarHBondContact OE2-NH1 3.4Å; E696-R736 IonicContact OE2-NH2 3.01Å; E696-R736 PolarHBondContact OE2-NH2 3.36Å; L733-R736 VanDerWaalsContact O-CB 3.27Å; L733-R736 WeakPolarHBondContact O-CB 3.28Å; L733-R736 PolarHBondContact O-N 2.74Å; L733-R736 VanDerWaalsContact O-N 3.08Å; D734-R736 VanDerWaalsContact C-N 3.3Å; D734-R736 PolarHBondContact O-N 3.1Å; R736-V738 PolarHBondContact O-N 3.41Å; R736-P742 WeakPolarHBondContact O-CA 2.98Å; R736-M743 WeakPolarHBondContact O-CB 3.27Å; R736-M743 PolarHBondContact O-N 2.81Å
737	L	80.8	Confident	84.6	Confident	73 Å²	73	51.1 Å²	51.1	38%	0.382	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.3	177.2	-66.2	171.8	0	0	0	110.4	R735 R741 P742 E787	R735-L737 PolarHBondContact O-N 3.06Å; L737-R741 WeakPolarHBondContact CA-O 3.37Å; L737-P742 HydrophobicContact CD2-CB 4.21Å; L737-E787 WeakPolarHBondContact CD1-OE1 3.31Å; L737-E787 WeakPolarHBondContact CD1-OE2 3.3Å
738	V	80.4	Confident	83.9	Confident	14 Å²	14	51.5 Å²	51.5	9%	0.085	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122	172.7	-175.4	0	0	0	0	106.5	L685 V693 R736 G740 R741 M743	L685-V738 HydrophobicContact CD1-CG1 3.51Å; L685-V738 HydrophobicContact CD2-CG1 3.92Å; L685-V738 HydrophobicContact CG-CG1 4.4Å; V693-V738 HydrophobicContact CG1-CG2 4.23Å; V693-V738 HydrophobicContact CG2-CG1 4.28Å; V693-V738 HydrophobicContact CG2-CG2 4.15Å; R736-V738 PolarHBondContact O-N 3.41Å; V738-G740 PolarHBondContact O-N 3.07Å; V738-R741 PolarHBondContact N-O 2.79Å; V738-R741 PolarHBondContact O-N 2.69Å; V738-R741 VanDerWaalsContact O-O 3.09Å; V738-M743 HydrophobicContact CG2-CB 4.13Å; V738-M743 HydrophobicContact CG2-SD 4.29Å
739	D	81.5	Confident	82.7	Confident	87 Å²	87	54.5 Å²	54.5	47%	0.465	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.3	-171.5	-67.7	-14.7	0	0	0	114.1	D682 L685 R741	D682-D739 HydrophobicContact CB-CB 3.94Å; L685-D739 WeakPolarHBondContact CD1-OD2 3.42Å; D739-R741 VanDerWaalsContact C-N 3.26Å; D739-R741 PolarHBondContact O-N 3.18Å
740	G	73.1	Confident	80.9	Confident	42 Å²	42	51.1 Å²	51.1	43%	0.433	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	8	178.5	0	0	0	0	0	114.9	V738	V738-G740 PolarHBondContact O-N 3.07Å
741	R	77.8	Confident	78.9	Confident	40 Å²	40	54.9 Å²	54.9	15%	0.151	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.2	175.7	-66.1	177.7	64.6	-179.6	-7.8	110.8	N680 L681 D682 L737 V738 D739 M743	N680-R741 PolarHBondContact OD1-NH2 3.25Å; L681-R741 PolarHBondContact O-NH1 3.22Å; L681-R741 VanDerWaalsContact O-NH1 3.16Å; L681-R741 PolarHBondContact O-NH2 2.97Å; D682-R741 WeakPolarHBondContact OD2-CD 3.19Å; D682-R741 IonicContact OD2-NH1 2.64Å; L737-R741 WeakPolarHBondContact CA-O 3.37Å; V738-R741 PolarHBondContact N-O 2.79Å; V738-R741 PolarHBondContact O-N 2.69Å; V738-R741 VanDerWaalsContact O-O 3.09Å; D739-R741 VanDerWaalsContact C-N 3.26Å; D739-R741 PolarHBondContact O-N 3.18Å; R741-M743 PolarHBondContact O-N 3.37Å
742	P	81.7	Confident	76.9	Confident	11 Å²	11	59.1 Å²	59.1	7%	0.071	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.5	177.5	25.6	-30.6	0	0	0	110.1	N680 R735 R736 L737 Y744	N680-P742 PolarHBondContact ND2-O 3.11Å; R735-P742 HydrophobicContact CB-CB 4.46Å; R736-P742 WeakPolarHBondContact O-CA 2.98Å; L737-P742 HydrophobicContact CD2-CB 4.21Å; P742-Y744 HydrophobicContact CB-CE1 4.45Å
743	M	90.6	Very high	74.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	32%	0.321	C	S	.	.			trans	-68.9	129.3	174.3	176.9	176.9	71.1	0	0	110	V678 L681 L690 V693 F694 L733 R735 R736 V738 R741 V745	V678-M743 HydrophobicContact CG1-CG 3.28Å; V678-M743 HydrophobicContact CG1-SD 3.46Å; V678-M743 WeakPolarHBondContact CG1-SD 3.37Å; L681-M743 HydrophobicContact CD2-CB 4.27Å; L681-M743 HydrophobicContact CD2-CG 3.71Å; L681-M743 HydrophobicContact CD2-SD 3.99Å; L690-M743 HydrophobicContact CD1-SD 3.76Å; V693-M743 HydrophobicContact CG1-CE 3.85Å; V693-M743 HydrophobicContact CG1-SD 4.47Å; F694-M743 HydrophobicContact CE1-CE 4.33Å; F694-M743 HydrophobicContact CE2-CE 3.94Å; F694-M743 HydrophobicContact CE2-SD 3.62Å; F694-M743 HydrophobicContact CZ-CE 3.66Å; F694-M743 HydrophobicContact CZ-SD 3.78Å; L733-M743 HydrophobicContact CB-CE 3.93Å; R735-M743 VanDerWaalsContact CA-O 3.25Å; R735-M743 WeakPolarHBondContact CA-O 3.13Å; R735-M743 PolarHBondContact N-O 3.31Å; R736-M743 WeakPolarHBondContact O-CB 3.27Å; R736-M743 PolarHBondContact O-N 2.81Å; V738-M743 HydrophobicContact CG2-CB 4.13Å; V738-M743 HydrophobicContact CG2-SD 4.29Å; R741-M743 PolarHBondContact O-N 3.37Å; M743-V745 HydrophobicContact CE-CG2 3.81Å; M743-V745 HydrophobicContact CG-CG2 4.16Å; M743-V745 HydrophobicContact SD-CG2 4.42Å
744	Y	87.7	Confident	72.3	Confident	41 Å²	41	67 Å²	67	16%	0.161	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.1	174.9	-58.5	-52.7	0	0	0	110.9	V678 S679 N680 D734 R735 P742 R804	V678-Y744 CarbonylContact C-O 3.58Å; V678-Y744 WeakPolarHBondContact CA-O 3.28Å; S679-Y744 PolarHBondContact N-O 3.49Å; S679-Y744 PolarHBondContact O-N 3.09Å; N680-Y744 HydrophobicContact CB-CD2 3.28Å; N680-Y744 HydrophobicContact CB-CE2 3.32Å; N680-Y744 HydrophobicContact CB-CG 4.29Å; D734-Y744 WeakPolarHBondContact OD1-CA 3.28Å; R735-Y744 HydrophobicContact CG-CD1 4.26Å; R735-Y744 HydrophobicContact CG-CE1 4.17Å; P742-Y744 HydrophobicContact CB-CE1 4.45Å; Y744-R804 VanDerWaalsContact OH-CZ 3.26Å; Y744-R804 PolarHBondContact OH-NH1 3.07Å; Y744-R804 VanDerWaalsContact OH-NH1 3.17Å; Y744-R804 PolarHBondContact OH-NH2 3.01Å
745	V	90.9	Very high	69.9	Low	9 Å²	9	73.8 Å²	73.8	6%	0.055	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.8	-177.9	-169.1	0	0	0	0	109.5	V676 F677 V678 F694 A730 L731 L733 D734 M743	V676-V745 HydrophobicContact CB-CG1 3.9Å; V676-V745 HydrophobicContact CG1-CG1 4.26Å; V676-V745 HydrophobicContact CG2-CG1 4.04Å; F677-V745 WeakPolarHBondContact O-CA 3.45Å; V678-V745 HydrophobicContact CG1-CG2 4.5Å; F694-V745 HydrophobicContact CE1-CG1 4.15Å; F694-V745 HydrophobicContact CE1-CG2 4.14Å; F694-V745 HydrophobicContact CZ-CG1 4.24Å; F694-V745 HydrophobicContact CZ-CG2 3.79Å; A730-V745 WeakPolarHBondContact O-CG1 3.42Å; L731-V745 HydrophobicContact CD2-CG1 4.49Å; L733-V745 HydrophobicContact CB-CG2 4.31Å; D734-V745 HydrophobicContact CB-CB 4.47Å; D734-V745 PolarHBondContact OD1-N 3.24Å; M743-V745 HydrophobicContact CE-CG2 3.81Å; M743-V745 HydrophobicContact CG-CG2 4.16Å; M743-V745 HydrophobicContact SD-CG2 4.42Å
746	S	86.9	Confident	67.6	Low	48 Å²	48	77.4 Å²	77.4	34%	0.336	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.5	177.5	65.2	0	0	0	0	111.7	V676 F677 C748	V676-S746 CarbonylContact C-O 3.47Å; F677-S746 WeakPolarHBondContact CD1-OG 3.32Å; F677-S746 PolarHBondContact N-O 3.4Å; F677-S746 PolarHBondContact O-N 2.81Å; S746-C748 PolarHBondContact O-N 2.74Å
747	V	85.5	Confident	64.9	Low	73 Å²	73	81.3 Å²	81.3	44%	0.442	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.9	174	-172.8	0	0	0	0	110	L731 R749	L731-V747 HydrophobicContact CD1-CG2 3.86Å; L731-V747 HydrophobicContact CD2-CG2 4.03Å; L731-V747 HydrophobicContact CG-CG2 4.46Å; V747-R749 PolarHBondContact O-N 2.88Å
748	C	73.5	Confident	62.5	Low	22 Å²	22	85.2 Å²	85.2	15%	0.149	45%	0.454	C	S	.	.			trans	-72	120.9	176.6	-162	0	0	0	0	110.3	H670 T675 Y718 S746	H670-C748 PolarHBondContact CE1-SG 3.17Å; H670-C748 PolarHBondContact ND1-SG 3.14Å; T675-C748 HydrophobicContact CG2-CB 4.09Å; T675-C748 VanDerWaalsContact O-CB 3.25Å; T675-C748 WeakPolarHBondContact O-CB 3.15Å; T675-C748 PolarHBondContact O-N 2.96Å; Y718-C748 VanDerWaalsContact CD1-SG 3.59Å; Y718-C748 VanDerWaalsContact CE1-SG 3.57Å; S746-C748 PolarHBondContact O-N 2.74Å
749	R	59.4	Low	60.1	Low	151 Å²	151	90 Å²	90	57%	0.57	48%	0.483	S	S	*	.			trans	-106.8	141.2	177.8	-67	-174.5	177.9	117	4.5	110.6	V747 S763	V747-R749 PolarHBondContact O-N 2.88Å; R749-S763 PolarHBondContact NH1-OG 2.82Å
750	P	49.9	Very low	57.7	Low	50 Å²	50	94 Å²	94	33%	0.325	50%	0.499	S	S	.	.			trans	-68.5	145.8	-174.4	23.5	-31.3	0	0	0	113.9	E672 D752 S753	E672-P750 WeakPolarHBondContact OE1-CB 3.25Å; P750-D752 VanDerWaalsContact C-N 3.27Å; P750-D752 PolarHBondContact O-N 2.74Å; P750-S753 PolarHBondContact O-OG 2.85Å
751	A	46.1	Very low	55.7	Low	78 Å²	78	101.8 Å²	101.8	65%	0.645	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.4	-179.7	0	0	0	0	0	113.9
752	D	44.3	Very low	53.5	Low	154 Å²	154	105 Å²	105	82%	0.824	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	1.7	-172.6	-61.5	-29.8	0	0	0	114.6	P750 K754	P750-D752 VanDerWaalsContact C-N 3.27Å; P750-D752 PolarHBondContact O-N 2.74Å; D752-K754 PolarHBondContact O-N 2.85Å
753	S	39.5	Very low	51.2	Low	85 Å²	85	108.3 Å²	108.3	59%	0.594	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	16.8	178	53.2	0	0	0	0	114.4	P750	P750-S753 PolarHBondContact O-OG 2.85Å
754	K	37.6	Very low	48.4	Very low	190 Å²	190	112.5 Å²	112.5	83%	0.826	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	1.2	-178	-83.1	-176.4	177.3	176.6	0	115.6	D752	D752-K754 PolarHBondContact O-N 2.85Å
755	Q	35	Very low	45.9	Very low	188 Å²	188	115.4 Å²	115.4	88%	0.879	62%	0.619	S	S	*	*	S	Bend	trans	-125.3	-3.1	-173.3	-79.3	-179.2	-1.5	0	0	117.2
756	Q	31.6	Very low	43.3	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.864	66%	0.657	S	S	*	*	S	Bend	trans	-150.3	97.1	177.6	-102.7	170.3	8.2	0	0	111.5
757	M	28.2	Very low	41.2	Very low	165 Å²	165	129 Å²	129	81%	0.813	67%	0.668	S	S	*	*			trans	162	80.8	147.3	-91.4	-173.8	90	0	0	107.6
758	D	31.3	Very low	39.2	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	67%	0.672	S	S	*	*			trans	-56.9	136.2	148.9	-78.6	-44.3	0	0	0	107.6
759	T	29.5	Very low	38.1	Very low	114 Å²	114	133.7 Å²	133.7	70%	0.699	69%	0.689	S	S	*	*	S	Bend	trans	82.6	108.9	179.7	72.4	0	0	0	0	116.2
760	E	31.1	Very low	37.8	Very low	172 Å²	172	127.6 Å²	127.6	80%	0.804	67%	0.673	S	S	*	*			trans	68.8	90.8	160.4	-52.9	-174.7	176.6	0	0	119.2
761	K	31.3	Very low	39	Very low	204 Å²	204	129.5 Å²	129.5	89%	0.887	68%	0.68	S	S	*	*			trans	176.1	158.6	130.7	-96.9	158.2	-175	175.3	0	116.2
762	P	30.9	Very low	40.5	Very low	109 Å²	109	128.2 Å²	128.2	71%	0.708	66%	0.66	S	S	*	*			trans	-101.2	120.9	-149.6	37.3	-31.8	0	0	0	113.6
763	S	34.8	Very low	42.4	Very low	79 Å²	79	125.9 Å²	125.9	55%	0.552	64%	0.643	S	S	*	*			trans	-144.6	10.2	179.2	-175.3	0	0	0	0	116	R749	R749-S763 PolarHBondContact NH1-OG 2.82Å
764	A	31.1	Very low	44.7	Very low	89 Å²	89	124.8 Å²	124.8	74%	0.736	63%	0.631	S	S	*	*	S	Bend	trans	-83.2	132.4	158.8	0	0	0	0	0	107.7	K766	A764-K766 VanDerWaalsContact C-N 3.3Å; A764-K766 PolarHBondContact O-N 3.32Å
765	F	35.1	Very low	47.3	Very low	103 Å²	103	116.8 Å²	116.8	45%	0.452	60%	0.596	S	S	.	*			trans	-54	102.8	166.8	-164.8	-91.6	0	0	0	106.6	Y767	F765-Y767 HydrophobicContact CB-CE2 4.33Å; F765-Y767 AromaticContact CD1-CD1 3.75Å; F765-Y767 HydrophobicContact CD1-CD1 3.75Å; F765-Y767 HydrophobicContact CD1-CD2 4.1Å; F765-Y767 AromaticContact CD1-CE1 3.58Å; F765-Y767 HydrophobicContact CD1-CE1 3.58Å; F765-Y767 AromaticContact CD1-CE2 3.93Å; F765-Y767 HydrophobicContact CD1-CE2 3.93Å; F765-Y767 HydrophobicContact CD1-CG 4.01Å; F765-Y767 AromaticContact CD1-CZ 3.67Å; F765-Y767 AromaticContact CE1-CD1 3.88Å; F765-Y767 HydrophobicContact CE1-CD1 3.88Å; F765-Y767 AromaticContact CE1-CE1 3.75Å; F765-Y767 HydrophobicContact CE1-CE1 3.75Å; F765-Y767 WeakPolarHBondContact O-CD2 3.43Å; F765-Y767 PolarHBondContact O-N 2.89Å
766	K	35.8	Very low	50	Low	197 Å²	197	107.8 Å²	107.8	86%	0.857	55%	0.554	S	S	*	*			trans	-72.7	85	179.2	-156.8	179.9	-171.4	-177.9	0	104.6	A764 F768	A764-K766 VanDerWaalsContact C-N 3.3Å; A764-K766 PolarHBondContact O-N 3.32Å; K766-F768 PolarHBondContact O-N 2.89Å; K766-F768 VanDerWaalsContact O-N 3.13Å
767	Y	43.2	Very low	52.9	Low	144 Å²	144	100.5 Å²	100.5	57%	0.565	52%	0.519	S	S	*	.			trans	-52	124.4	160	-62.3	-81.9	0	0	0	104.8	F765 C769	F765-Y767 HydrophobicContact CB-CE2 4.33Å; F765-Y767 AromaticContact CD1-CD1 3.75Å; F765-Y767 HydrophobicContact CD1-CD1 3.75Å; F765-Y767 HydrophobicContact CD1-CD2 4.1Å; F765-Y767 AromaticContact CD1-CE1 3.58Å; F765-Y767 HydrophobicContact CD1-CE1 3.58Å; F765-Y767 AromaticContact CD1-CE2 3.93Å; F765-Y767 HydrophobicContact CD1-CE2 3.93Å; F765-Y767 HydrophobicContact CD1-CG 4.01Å; F765-Y767 AromaticContact CD1-CZ 3.67Å; F765-Y767 AromaticContact CE1-CD1 3.88Å; F765-Y767 HydrophobicContact CE1-CD1 3.88Å; F765-Y767 AromaticContact CE1-CE1 3.75Å; F765-Y767 HydrophobicContact CE1-CE1 3.75Å; F765-Y767 WeakPolarHBondContact O-CD2 3.43Å; F765-Y767 PolarHBondContact O-N 2.89Å; Y767-C769 VanDerWaalsContact C-N 3.34Å; Y767-C769 PolarHBondContact O-N 2.88Å; Y767-C769 PolarHBondContact O-SG 3.31Å; Y767-C769 VanDerWaalsContact O-SG 3.32Å
768	F	44.5	Very low	56	Low	119 Å²	119	92.6 Å²	92.6	52%	0.522	48%	0.48	S	S	.	.			trans	-61.6	103.7	177.3	-173.4	-99.8	0	0	0	106.8	K766 G770 E772 P851	K766-F768 PolarHBondContact O-N 2.89Å; K766-F768 VanDerWaalsContact O-N 3.13Å; F768-G770 VanDerWaalsContact CD1-C 3.46Å; F768-G770 WeakPolarHBondContact CD1-O 3.28Å; F768-G770 VanDerWaalsContact CE1-O 3.24Å; F768-G770 WeakPolarHBondContact CE1-O 3.03Å; F768-G770 PolarHBondContact O-N 3.09Å; F768-E772 HydrophobicContact CD1-CG 3.51Å; F768-E772 HydrophobicContact CE1-CG 3.91Å; F768-E772 HydrophobicContact CG-CG 4.43Å; F768-P851 WeakPolarHBondContact O-CD 3.25Å
769	C	49.7	Very low	58.8	Low	75 Å²	75	88.8 Å²	88.8	51%	0.507	46%	0.456	S	S	.	.			trans	-81	17.6	175.7	-58	0	0	0	0	111.5	Y767	Y767-C769 VanDerWaalsContact C-N 3.34Å; Y767-C769 PolarHBondContact O-N 2.88Å; Y767-C769 PolarHBondContact O-SG 3.31Å; Y767-C769 VanDerWaalsContact O-SG 3.32Å
770	G	53.7	Low	61.7	Low	23 Å²	23	84.2 Å²	84.2	24%	0.237	43%	0.428	C	S	.	.	S	Bend	trans	-106.5	173.1	178.9	0	0	0	0	0	111.9	F768 E772	F768-G770 VanDerWaalsContact CD1-C 3.46Å; F768-G770 WeakPolarHBondContact CD1-O 3.28Å; F768-G770 VanDerWaalsContact CE1-O 3.24Å; F768-G770 WeakPolarHBondContact CE1-O 3.03Å; F768-G770 PolarHBondContact O-N 3.09Å; G770-E772 PolarHBondContact O-N 3.35Å
771	L	74.3	Confident	64.4	Low	91 Å²	91	76 Å²	76	48%	0.476	39%	0.39	S	S	.	.			trans	-73.3	111.6	176.8	-171.5	71.8	0	0	0	110.9	K773 L848 N850	L771-K773 PolarHBondContact O-N 3.27Å; L771-L848 HydrophobicContact CD1-CB 3.76Å; L771-L848 HydrophobicContact CD1-CD1 4.39Å; L771-L848 HydrophobicContact CD2-CD1 4.4Å; L771-L848 HydrophobicContact CG-CB 4.49Å; L771-N850 HydrophobicContact CD1-CB 4.05Å
772	E	78.9	Confident	67	Low	50 Å²	50	66.9 Å²	66.9	23%	0.234	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	100.8	174.6	-61.5	175.8	128.5	0	0	109.7	F768 G770 N774 K775 S849	F768-E772 HydrophobicContact CD1-CG 3.51Å; F768-E772 HydrophobicContact CE1-CG 3.91Å; F768-E772 HydrophobicContact CG-CG 4.43Å; G770-E772 PolarHBondContact O-N 3.35Å; E772-N774 PolarHBondContact O-N 2.94Å; E772-K775 HydrophobicContact CB-CB 3.91Å; E772-K775 PolarHBondContact O-N 3.49Å; E772-K775 VanDerWaalsContact O-O 3.1Å; E772-K775 IonicContact OE1-NZ 3.88Å; E772-K775 PolarHBondContact OE1-NZ 3.35Å; E772-K775 WeakPolarHBondContact OE2-CD 3.33Å; E772-K775 IonicContact OE2-NZ 3.39Å; E772-K775 PolarHBondContact OE2-NZ 3.25Å; E772-K775 VanDerWaalsContact OE2-NZ 3.11Å; E772-S849 PolarHBondContact N-O 3.03Å; E772-S849 WeakPolarHBondContact OE2-CB 3.27Å; E772-S849 PolarHBondContact OE2-OG 3.37Å
773	K	84.2	Confident	69.5	Low	105 Å²	105	65.1 Å²	65.1	46%	0.457	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-26.8	-172.8	-57.6	-164.1	-175.6	178.4	0	115.4	L771 K775 E824 A827 L848	L771-K773 PolarHBondContact O-N 3.27Å; K773-K775 VanDerWaalsContact C-N 3.3Å; K773-E824 HydrophobicContact CB-CG 4.04Å; K773-E824 VanDerWaalsContact CD-CD 3.48Å; K773-E824 HydrophobicContact CD-CG 4.37Å; K773-E824 WeakPolarHBondContact CD-OE1 3.47Å; K773-E824 IonicContact NZ-OE1 3.5Å; K773-E824 PolarHBondContact NZ-OE1 2.75Å; K773-E824 IonicContact NZ-OE2 2.65Å; K773-A827 WeakPolarHBondContact O-CB 3.2Å; K773-L848 WeakPolarHBondContact O-CD2 3.44Å
774	N	88.1	Confident	71.8	Confident	63 Å²	63	69.1 Å²	69.1	34%	0.337	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-0.7	179	-61.6	-2	0	0	0	112.8	E772 Y821 E824	E772-N774 PolarHBondContact O-N 2.94Å; N774-Y821 PolarHBondContact O-N 3.39Å; N774-E824 WeakPolarHBondContact OD1-CA 3.2Å; N774-E824 VanDerWaalsContact OD1-CB 3.23Å; N774-E824 WeakPolarHBondContact OD1-CB 3.25Å; N774-E824 PolarHBondContact OD1-N 3.25Å; N774-E824 VanDerWaalsContact OD1-N 3.17Å
775	K	90.3	Very high	74.5	Confident	21 Å²	21	65 Å²	65	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125	-170.8	-160.5	-168.2	-158.7	166.9	0	111.5	E772 K773 Y818 I819 E820 S849	E772-K775 HydrophobicContact CB-CB 3.91Å; E772-K775 PolarHBondContact O-N 3.49Å; E772-K775 VanDerWaalsContact O-O 3.1Å; E772-K775 IonicContact OE1-NZ 3.88Å; E772-K775 PolarHBondContact OE1-NZ 3.35Å; E772-K775 WeakPolarHBondContact OE2-CD 3.33Å; E772-K775 IonicContact OE2-NZ 3.39Å; E772-K775 PolarHBondContact OE2-NZ 3.25Å; E772-K775 VanDerWaalsContact OE2-NZ 3.11Å; K773-K775 VanDerWaalsContact C-N 3.3Å; K775-Y818 HydrophobicContact CD-CD1 4.45Å; K775-I819 CarbonylContact C-O 3.48Å; K775-I819 WeakPolarHBondContact CA-O 3.29Å; K775-E820 HydrophobicContact CG-CB 4.16Å; K775-E820 HydrophobicContact CG-CG 4.42Å; K775-S849 WeakPolarHBondContact O-CB 3.49Å; K775-S849 PolarHBondContact O-N 3.34Å
776	L	92.2	Very high	77	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.7	178.6	-55.5	-179.3	0	0	0	110.2	F794 Y818 I819 Y821 A827 A830 L831 V846 Q847 L848	L776-F794 HydrophobicContact CD1-CD1 4.28Å; L776-F794 HydrophobicContact CD1-CE1 3.99Å; L776-Y818 CarbonylContact O-C 3.54Å; L776-Y818 VanDerWaalsContact O-CA 3.3Å; L776-Y818 WeakPolarHBondContact O-CA 3.22Å; L776-I819 HydrophobicContact CB-CB 4.36Å; L776-I819 PolarHBondContact N-O 3.33Å; L776-I819 PolarHBondContact O-N 2.84Å; L776-Y821 HydrophobicContact CD1-CD2 4.36Å; L776-Y821 HydrophobicContact CD1-CE2 3.75Å; L776-Y821 HydrophobicContact CG-CE2 4.42Å; L776-A827 HydrophobicContact CD2-CB 4.17Å; L776-A827 HydrophobicContact CG-CB 4.4Å; L776-A830 HydrophobicContact CD1-CB 3.65Å; L776-L831 HydrophobicContact CD2-CB 4.14Å; L776-L831 HydrophobicContact CD2-CD1 4.45Å; L776-V846 HydrophobicContact CB-CG1 3.91Å; L776-V846 HydrophobicContact CD1-CG1 3.79Å; L776-V846 HydrophobicContact CD2-CG1 4.26Å; L776-V846 HydrophobicContact CG-CG1 4.21Å; L776-Q847 CarbonylContact C-O 3.46Å; L776-Q847 VanDerWaalsContact CA-O 3.31Å; L776-Q847 WeakPolarHBondContact CA-O 3.41Å; L776-L848 HydrophobicContact CD2-CD2 3.97Å
777	F	92.7	Very high	79.5	Confident	31 Å²	31	60.5 Å²	60.5	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.6	167.1	-178.2	-139.2	0	0	0	108.8	K779 L816 A817 Y818 Q847	F777-K779 HydrophobicContact CD1-CD 4.36Å; F777-K779 VanDerWaalsContact CD1-CE 3.44Å; F777-K779 HydrophobicContact CD1-CG 4.06Å; F777-K779 HydrophobicContact CE1-CD 4.01Å; F777-K779 HydrophobicContact CE1-CG 3.76Å; F777-K779 HydrophobicContact CZ-CG 4.02Å; F777-L816 HydrophobicContact CE2-CB 4.04Å; F777-L816 HydrophobicContact CE2-CD1 4.42Å; F777-L816 HydrophobicContact CE2-CD2 4.19Å; F777-L816 HydrophobicContact CE2-CG 4.46Å; F777-L816 HydrophobicContact CZ-CB 4.49Å; F777-L816 HydrophobicContact CZ-CD1 4.17Å; F777-L816 HydrophobicContact CZ-CD2 3.88Å; F777-L816 HydrophobicContact CZ-CG 4.42Å; F777-A817 WeakPolarHBondContact CD2-O 3.35Å; F777-Y818 HydrophobicContact CB-CD1 4.34Å; F777-Y818 HydrophobicContact CB-CE1 4.2Å; F777-Y818 AromaticContact CD2-CD1 3.85Å; F777-Y818 HydrophobicContact CD2-CD1 3.85Å; F777-Y818 HydrophobicContact CD2-CD2 4.47Å; F777-Y818 AromaticContact CD2-CE1 3.39Å; F777-Y818 HydrophobicContact CD2-CE1 3.39Å; F777-Y818 HydrophobicContact CD2-CE2 4.07Å; F777-Y818 HydrophobicContact CD2-CG 4.37Å; F777-Y818 AromaticContact CD2-CZ 3.51Å; F777-Y818 AromaticContact CE2-CE1 3.95Å; F777-Y818 HydrophobicContact CE2-CE1 3.95Å; F777-Y818 AromaticContact CE2-CE2 3.97Å; F777-Y818 HydrophobicContact CE2-CE2 3.97Å; F777-Y818 AromaticContact CE2-CZ 3.55Å; F777-Y818 HydrophobicContact CG-CD1 4.48Å; F777-Y818 AromaticContact CG-CE1 4Å; F777-Y818 HydrophobicContact CG-CE1 4Å; F777-Q847 PolarHBondContact N-O 3.17Å; F777-Q847 PolarHBondContact O-N 2.74Å
778	V	92.9	Very high	81.7	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.5	-178.4	-173.7	0	0	0	0	108.7	L781 F794 L816 A817 I819 L844 S845 V846	V778-L781 HydrophobicContact CB-CD1 4.41Å; V778-L781 HydrophobicContact CG1-CD1 4.08Å; V778-L781 HydrophobicContact CG1-CD2 3.92Å; V778-L781 HydrophobicContact CG1-CG 3.97Å; V778-F794 HydrophobicContact CG1-CZ 4.47Å; V778-F794 HydrophobicContact CG2-CE1 4.33Å; V778-F794 HydrophobicContact CG2-CE2 4.13Å; V778-F794 HydrophobicContact CG2-CZ 3.63Å; V778-L816 CarbonylContact O-C 3.15Å; V778-L816 VanDerWaalsContact O-CA 3.3Å; V778-L816 WeakPolarHBondContact O-CA 3.24Å; V778-A817 HydrophobicContact CB-CB 4.36Å; V778-A817 PolarHBondContact N-O 3.49Å; V778-A817 PolarHBondContact O-N 3.3Å; V778-I819 HydrophobicContact CG2-CD1 3.7Å; V778-I819 HydrophobicContact CG2-CG1 4.06Å; V778-L844 HydrophobicContact CG1-CB 4.37Å; V778-L844 HydrophobicContact CG1-CD1 4.39Å; V778-L844 HydrophobicContact CG1-CD2 4.39Å; V778-S845 CarbonylContact C-O 3.46Å; V778-S845 WeakPolarHBondContact CA-O 3.5Å; V778-V846 HydrophobicContact CG1-CG2 4.24Å; V778-V846 HydrophobicContact CG2-CG1 4.34Å; V778-V846 HydrophobicContact CG2-CG2 4.24Å
779	K	91.2	Very high	83.9	Confident	75 Å²	75	57.5 Å²	57.5	33%	0.326	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	162.1	174.3	-60.9	173.5	179.2	161.8	0	110.4	F777 L816 S845 Q847	F777-K779 HydrophobicContact CD1-CD 4.36Å; F777-K779 VanDerWaalsContact CD1-CE 3.44Å; F777-K779 HydrophobicContact CD1-CG 4.06Å; F777-K779 HydrophobicContact CE1-CD 4.01Å; F777-K779 HydrophobicContact CE1-CG 3.76Å; F777-K779 HydrophobicContact CZ-CG 4.02Å; K779-L816 HydrophobicContact CB-CD2 4.01Å; K779-L816 HydrophobicContact CG-CD2 3.73Å; K779-S845 PolarHBondContact N-O 3.48Å; K779-S845 PolarHBondContact O-N 3.42Å; K779-S845 VanDerWaalsContact O-N 3.07Å; K779-Q847 VanDerWaalsContact NZ-OE1 3.13Å
780	N	89.3	Confident	85.9	Confident	18 Å²	18	54 Å²	54	10%	0.096	26%	0.264	C	S	.	.			trans	70.3	38.3	172.5	-157.4	33.6	0	0	0	113.6	G815 K842 R843 L881	N780-G815 PolarHBondContact N-O 3.26Å; N780-K842 WeakPolarHBondContact O-CB 3.26Å; N780-R843 PolarHBondContact ND2-O 3.09Å; N780-L881 VanDerWaalsContact ND2-CD1 3.28Å; N780-L881 WeakPolarHBondContact ND2-CD1 3.37Å; N780-L881 WeakPolarHBondContact ND2-CG 3.45Å; N780-L881 VanDerWaalsContact OD1-CD1 3.27Å; N780-L881 WeakPolarHBondContact OD1-CD1 3.48Å
781	L	89	Confident	87.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.271	C	S	.	.			trans	-79.7	146.8	173.1	-66.5	165.2	0	0	0	111.8	V778 V785 L790 L805 G815 A817 F839 K842 L844	V778-L781 HydrophobicContact CB-CD1 4.41Å; V778-L781 HydrophobicContact CG1-CD1 4.08Å; V778-L781 HydrophobicContact CG1-CD2 3.92Å; V778-L781 HydrophobicContact CG1-CG 3.97Å; L781-V785 HydrophobicContact CD2-CG1 4.28Å; L781-L790 HydrophobicContact CD1-CD1 3.94Å; L781-L790 HydrophobicContact CD1-CD2 4.04Å; L781-L790 HydrophobicContact CD2-CD2 3.56Å; L781-L790 HydrophobicContact CG-CD2 4.47Å; L781-L805 HydrophobicContact CD1-CD1 3.88Å; L781-G815 PolarHBondContact N-O 3.06Å; L781-G815 VanDerWaalsContact O-CA 3.31Å; L781-G815 WeakPolarHBondContact O-CA 3.46Å; L781-A817 HydrophobicContact CD1-CB 3.38Å; L781-F839 HydrophobicContact CD2-CD1 4.37Å; L781-K842 WeakPolarHBondContact O-CD 3.07Å; L781-L844 HydrophobicContact CD2-CD2 3.47Å; L781-L844 VanDerWaalsContact CD2-CD2 3.47Å; L781-L844 HydrophobicContact CG-CD2 4.32Å
782	S	85.1	Confident	88.6	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.084	28%	0.277	C	S	.	.			trans	-65.8	148.7	176.1	-159.9	0	0	0	0	110.6	F784 V785	S782-F784 PolarHBondContact O-N 3.47Å; S782-V785 WeakPolarHBondContact O-CB 3.29Å; S782-V785 PolarHBondContact O-N 3.24Å; S782-V785 VanDerWaalsContact O-N 3.1Å
783	S	82.6	Confident	89.2	Confident	71 Å²	71	57 Å²	57	50%	0.497	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.2	175.2	46.8	0	0	0	0	112.3
784	F	84.4	Confident	89.7	Confident	163 Å²	163	52 Å²	52	72%	0.715	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.6	177	-55.5	-77.4	0	0	0	114.5	S782 K786	S782-F784 PolarHBondContact O-N 3.47Å; F784-K786 PolarHBondContact O-N 3.43Å
785	V	87.7	Confident	89.9	Confident	3 Å²	3	56 Å²	56	2%	0.018	27%	0.267	C	S	.	.			trans	-68.3	125.1	179.6	167.2	0	0	0	0	109.1	L781 S782 D789 L790 L805 F839 H840	L781-V785 HydrophobicContact CD2-CG1 4.28Å; S782-V785 WeakPolarHBondContact O-CB 3.29Å; S782-V785 PolarHBondContact O-N 3.24Å; S782-V785 VanDerWaalsContact O-N 3.1Å; V785-D789 HydrophobicContact CG1-CB 4.33Å; V785-L790 HydrophobicContact CG1-CD1 4.39Å; V785-L790 HydrophobicContact CG1-CD2 4.25Å; V785-L790 HydrophobicContact CG1-CG 3.86Å; V785-L805 VanDerWaalsContact O-CD2 3.24Å; V785-L805 WeakPolarHBondContact O-CD2 3.32Å; V785-F839 HydrophobicContact CG1-CE1 4.03Å; V785-F839 HydrophobicContact CG2-CD1 4.13Å; V785-F839 HydrophobicContact CG2-CE1 3.85Å; V785-H840 HydrophobicContact CG2-CB 3.96Å
786	K	87.1	Confident	89.9	Confident	150 Å²	150	59.8 Å²	59.8	65%	0.652	29%	0.293	S	S	*	.			trans	-97.6	166.8	172.2	-62.1	-178.6	-178.7	178.9	0	109.9	F784 K788 D789 L790	F784-K786 PolarHBondContact O-N 3.43Å; K786-K788 VanDerWaalsContact C-N 3.28Å; K786-K788 PolarHBondContact O-N 3.29Å; K786-D789 PolarHBondContact N-OD2 3.34Å; K786-D789 PolarHBondContact O-N 3.33Å; K786-L790 PolarHBondContact O-N 2.94Å
787	E	88.5	Confident	89.9	Confident	56 Å²	56	61.4 Å²	61.4	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-38	179.6	-164.8	175.2	156.8	0	0	112.8	L737 D789 L790 E791 V803	L737-E787 WeakPolarHBondContact CD1-OE1 3.31Å; L737-E787 WeakPolarHBondContact CD1-OE2 3.3Å; E787-D789 VanDerWaalsContact C-N 3.33Å; E787-D789 PolarHBondContact O-N 3.28Å; E787-L790 WeakPolarHBondContact O-CB 3.48Å; E787-L790 PolarHBondContact O-N 3.4Å; E787-L790 VanDerWaalsContact O-N 3.15Å; E787-E791 PolarHBondContact O-N 3.4Å; E787-V803 HydrophobicContact CG-CB 4.22Å; E787-V803 HydrophobicContact CG-CG1 3.93Å
788	K	89.4	Confident	89.7	Confident	155 Å²	155	61 Å²	61	67%	0.674	30%	0.304	S	S	*	.	H	α-helix	trans	-59.3	-40.4	175.2	-72	-171.1	175.1	-175.4	0	113.3	K786 L790 E791 D792	K786-K788 VanDerWaalsContact C-N 3.28Å; K786-K788 PolarHBondContact O-N 3.29Å; K788-L790 PolarHBondContact O-N 2.91Å; K788-E791 PolarHBondContact O-N 3.1Å; K788-D792 PolarHBondContact O-N 2.95Å
789	D	91.1	Very high	89.5	Confident	45 Å²	45	68.5 Å²	68.5	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-34.3	-179.6	-46.4	-48.6	0	0	0	110.2	V785 K786 E787 L793 F839	V785-D789 HydrophobicContact CG1-CB 4.33Å; K786-D789 PolarHBondContact N-OD2 3.34Å; K786-D789 PolarHBondContact O-N 3.33Å; E787-D789 VanDerWaalsContact C-N 3.33Å; E787-D789 PolarHBondContact O-N 3.28Å; D789-L793 WeakPolarHBondContact O-CB 2.93Å; D789-L793 PolarHBondContact O-N 2.93Å; D789-L793 VanDerWaalsContact O-N 3.15Å; D789-F839 HydrophobicContact CB-CE1 4.2Å; D789-F839 HydrophobicContact CB-CZ 3.66Å; D789-F839 VanDerWaalsContact O-CZ 3.25Å; D789-F839 WeakPolarHBondContact O-CZ 3.33Å
790	L	91.8	Very high	89.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-71.5	-40.3	174.1	-71.8	175.6	0	0	0	112.8	L781 V785 K786 E787 K788 D792 L793 F794 V803 L805 A817 F839	L781-L790 HydrophobicContact CD1-CD1 3.94Å; L781-L790 HydrophobicContact CD1-CD2 4.04Å; L781-L790 HydrophobicContact CD2-CD2 3.56Å; L781-L790 HydrophobicContact CG-CD2 4.47Å; V785-L790 HydrophobicContact CG1-CD1 4.39Å; V785-L790 HydrophobicContact CG1-CD2 4.25Å; V785-L790 HydrophobicContact CG1-CG 3.86Å; K786-L790 PolarHBondContact O-N 2.94Å; E787-L790 WeakPolarHBondContact O-CB 3.48Å; E787-L790 PolarHBondContact O-N 3.4Å; E787-L790 VanDerWaalsContact O-N 3.15Å; K788-L790 PolarHBondContact O-N 2.91Å; L790-D792 VanDerWaalsContact C-N 3.34Å; L790-L793 PolarHBondContact O-N 2.97Å; L790-F794 HydrophobicContact CD2-CE2 4.19Å; L790-F794 WeakPolarHBondContact O-CD2 3.41Å; L790-F794 PolarHBondContact O-N 3.21Å; L790-F794 VanDerWaalsContact O-N 3.09Å; L790-V803 HydrophobicContact CB-CG1 3.61Å; L790-V803 HydrophobicContact CD1-CG1 4.01Å; L790-V803 HydrophobicContact CG-CG1 4.5Å; L790-L805 HydrophobicContact CD1-CD1 4.02Å; L790-A817 HydrophobicContact CD1-CB 3.45Å; L790-A817 VanDerWaalsContact CD1-CB 3.45Å; L790-F839 HydrophobicContact CD2-CE1 4.35Å
791	E	92.6	Very high	89.4	Confident	83 Å²	83	71.1 Å²	71.1	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-57.5	-49.4	172.9	-74.5	-178.5	159.7	0	0	110.7	E787 K788 L793 F794 K795 V803	E787-E791 PolarHBondContact O-N 3.4Å; K788-E791 PolarHBondContact O-N 3.1Å; E791-L793 VanDerWaalsContact C-N 3.27Å; E791-L793 PolarHBondContact O-N 3.28Å; E791-F794 PolarHBondContact O-N 3.01Å; E791-K795 WeakPolarHBondContact O-CB 3.48Å; E791-K795 PolarHBondContact O-N 2.85Å; E791-V803 HydrophobicContact CG-CB 4.1Å; E791-V803 HydrophobicContact CG-CG1 4.47Å; E791-V803 HydrophobicContact CG-CG2 3.7Å
792	D	91.6	Very high	89.4	Confident	112 Å²	112	73.2 Å²	73.2	60%	0.599	37%	0.368	S	S	*	.	H	α-helix	trans	-61.7	-35.7	-179.6	-72.7	-24.9	0	0	0	112.5	K788 L790 P796	K788-D792 PolarHBondContact O-N 2.95Å; L790-D792 VanDerWaalsContact C-N 3.34Å; D792-P796 WeakPolarHBondContact O-CD 3.41Å
793	L	91.7	Very high	89.6	Confident	34 Å²	34	73.1 Å²	73.1	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-72	-38.8	179.5	-178	63.9	0	0	0	113.4	D789 L790 E791 F797 I837 F839 L844	D789-L793 WeakPolarHBondContact O-CB 2.93Å; D789-L793 PolarHBondContact O-N 2.93Å; D789-L793 VanDerWaalsContact O-N 3.15Å; L790-L793 PolarHBondContact O-N 2.97Å; E791-L793 VanDerWaalsContact C-N 3.27Å; E791-L793 PolarHBondContact O-N 3.28Å; L793-F797 VanDerWaalsContact O-CE2 3.32Å; L793-F797 WeakPolarHBondContact O-CE2 3.5Å; L793-I837 HydrophobicContact CD1-CD1 3.73Å; L793-I837 HydrophobicContact CD2-CD1 4.12Å; L793-I837 HydrophobicContact CG-CD1 4.32Å; L793-F839 HydrophobicContact CB-CE2 4.08Å; L793-F839 HydrophobicContact CB-CZ 4.18Å; L793-F839 HydrophobicContact CD1-CD2 4.07Å; L793-F839 HydrophobicContact CD1-CE2 4.24Å; L793-F839 HydrophobicContact CD2-CB 4.31Å; L793-F839 HydrophobicContact CD2-CD1 3.92Å; L793-F839 HydrophobicContact CD2-CD2 3.77Å; L793-F839 HydrophobicContact CD2-CE1 4.1Å; L793-F839 HydrophobicContact CD2-CE2 3.98Å; L793-F839 HydrophobicContact CD2-CG 3.73Å; L793-F839 HydrophobicContact CD2-CZ 4.12Å; L793-F839 HydrophobicContact CG-CD2 4.38Å; L793-F839 HydrophobicContact CG-CE2 4.33Å; L793-L844 HydrophobicContact CD2-CD1 3.43Å; L793-L844 VanDerWaalsContact CD2-CD1 3.43Å
794	F	94	Very high	90	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-99.8	-21.4	-171.3	-77.3	-92.6	0	0	0	113.6	L776 V778 L790 E791 P796 F797 L800 I819 Y821 A830 T834 V846	L776-F794 HydrophobicContact CD1-CD1 4.28Å; L776-F794 HydrophobicContact CD1-CE1 3.99Å; V778-F794 HydrophobicContact CG1-CZ 4.47Å; V778-F794 HydrophobicContact CG2-CE1 4.33Å; V778-F794 HydrophobicContact CG2-CE2 4.13Å; V778-F794 HydrophobicContact CG2-CZ 3.63Å; L790-F794 HydrophobicContact CD2-CE2 4.19Å; L790-F794 WeakPolarHBondContact O-CD2 3.41Å; L790-F794 PolarHBondContact O-N 3.21Å; L790-F794 VanDerWaalsContact O-N 3.09Å; E791-F794 PolarHBondContact O-N 3.01Å; F794-P796 VanDerWaalsContact C-N 3.29Å; F794-P796 VanDerWaalsContact O-N 3.15Å; F794-F797 WeakPolarHBondContact O-CD2 3.33Å; F794-F797 PolarHBondContact O-N 3.26Å; F794-F797 VanDerWaalsContact O-N 3.14Å; F794-L800 HydrophobicContact CB-CD1 4.32Å; F794-L800 HydrophobicContact CB-CD2 4.11Å; F794-I819 HydrophobicContact CB-CD1 4.05Å; F794-I819 HydrophobicContact CB-CG2 4.17Å; F794-I819 HydrophobicContact CD1-CD1 3.67Å; F794-I819 HydrophobicContact CD1-CG2 4.32Å; F794-I819 HydrophobicContact CD2-CD1 3.05Å; F794-I819 HydrophobicContact CE1-CD1 3.79Å; F794-I819 HydrophobicContact CE2-CD1 3.17Å; F794-I819 HydrophobicContact CG-CD1 3.31Å; F794-I819 HydrophobicContact CG-CG2 4.26Å; F794-I819 HydrophobicContact CZ-CD1 3.56Å; F794-Y821 WeakPolarHBondContact CB-OH 3.45Å; F794-Y821 HydrophobicContact CD1-CE2 4.48Å; F794-Y821 WeakPolarHBondContact CD1-OH 3.49Å; F794-Y821 PolarHBondContact O-OH 3.16Å; F794-A830 HydrophobicContact CD1-CB 4.22Å; F794-T834 HydrophobicContact CD1-CG2 4.22Å; F794-T834 HydrophobicContact CE1-CG2 3.89Å; F794-T834 VanDerWaalsContact CE1-OG1 3.25Å; F794-T834 WeakPolarHBondContact CE1-OG1 3.17Å; F794-T834 HydrophobicContact CZ-CG2 4.28Å; F794-V846 HydrophobicContact CE1-CG1 4.33Å; F794-V846 HydrophobicContact CE1-CG2 4.5Å; F794-V846 HydrophobicContact CZ-CG2 4.07Å
795	K	92	Very high	90.3	Very high	147 Å²	147	66.7 Å²	66.7	64%	0.639	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-51.2	-34.8	176.4	-177.7	176.7	-176.5	179.3	0	115	E791 F797 L800	E791-K795 WeakPolarHBondContact O-CB 3.48Å; E791-K795 PolarHBondContact O-N 2.85Å; K795-F797 PolarHBondContact O-N 3.28Å; K795-L800 HydrophobicContact CB-CD1 4.17Å
796	P	91.6	Very high	90.3	Very high	100 Å²	100	67.8 Å²	67.8	65%	0.649	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-64.1	-15.4	178.9	-25.5	36.3	0	0	0	116.1	D792 F794	D792-P796 WeakPolarHBondContact O-CD 3.41Å; F794-P796 VanDerWaalsContact C-N 3.29Å; F794-P796 VanDerWaalsContact O-N 3.15Å
797	F	91	Very high	90.1	Very high	34 Å²	34	63.2 Å²	63.2	15%	0.149	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-95.6	-14.8	-174	-53	-67.9	0	0	0	114.3	L793 F794 K795 Y821 R829 A830 K833 T834	L793-F797 VanDerWaalsContact O-CE2 3.32Å; L793-F797 WeakPolarHBondContact O-CE2 3.5Å; F794-F797 WeakPolarHBondContact O-CD2 3.33Å; F794-F797 PolarHBondContact O-N 3.26Å; F794-F797 VanDerWaalsContact O-N 3.14Å; K795-F797 PolarHBondContact O-N 3.28Å; F797-Y821 HydrophobicContact CB-CE1 4.23Å; F797-R829 PolarHBondContact O-NE 3.24Å; F797-R829 PolarHBondContact O-NH2 3.41Å; F797-A830 HydrophobicContact CB-CB 3.71Å; F797-A830 HydrophobicContact CD2-CB 3.78Å; F797-A830 HydrophobicContact CG-CB 3.79Å; F797-K833 HydrophobicContact CD1-CB 4.34Å; F797-K833 HydrophobicContact CD1-CD 3.98Å; F797-K833 HydrophobicContact CE1-CB 3.57Å; F797-K833 HydrophobicContact CE1-CD 3.46Å; F797-K833 VanDerWaalsContact CE1-CD 3.46Å; F797-K833 HydrophobicContact CE1-CG 4.13Å; F797-K833 HydrophobicContact CZ-CB 3.93Å; F797-T834 HydrophobicContact CD2-CG2 4.05Å; F797-T834 HydrophobicContact CE2-CG2 3.2Å; F797-T834 HydrophobicContact CZ-CG2 3.57Å
798	G	88.7	Confident	89.3	Confident	21 Å²	21	65.2 Å²	65.2	22%	0.216	33%	0.327	C	S	.	.	S	Bend	trans	163	-179	178.4	0	0	0	0	0	112.8	L800	G798-L800 PolarHBondContact O-N 2.84Å
799	K	90.1	Very high	88.1	Confident	158 Å²	158	66.2 Å²	66.2	69%	0.687	33%	0.332	S	S	*	.			trans	-71.7	116.2	178.5	-173	178.9	179.3	-177	0	110.4	A822	K799-A822 HydrophobicContact CB-CB 4.18Å; K799-A822 PolarHBondContact O-N 3.47Å
800	L	90	Very high	86.7	Confident	42 Å²	42	68.2 Å²	68.2	22%	0.22	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.8	175.7	-62.5	175	0	0	0	110.5	F794 K795 G798 V803 I819 Y821	F794-L800 HydrophobicContact CB-CD1 4.32Å; F794-L800 HydrophobicContact CB-CD2 4.11Å; K795-L800 HydrophobicContact CB-CD1 4.17Å; G798-L800 PolarHBondContact O-N 2.84Å; L800-V803 HydrophobicContact CD1-CG2 3.99Å; L800-I819 HydrophobicContact CD2-CG2 3.52Å; L800-Y821 HydrophobicContact CD2-CD1 3.87Å; L800-Y821 HydrophobicContact CD2-CD2 4.48Å; L800-Y821 HydrophobicContact CD2-CE1 3.44Å; L800-Y821 VanDerWaalsContact CD2-CE1 3.44Å; L800-Y821 HydrophobicContact CD2-CE2 4.1Å; L800-Y821 HydrophobicContact CD2-CG 4.39Å; L800-Y821 HydrophobicContact CG-CE1 4.34Å
801	L	88	Confident	85.8	Confident	106 Å²	106	70.6 Å²	70.6	56%	0.555	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	-41.8	172.3	-70.8	178.2	0	0	0	111.7	E820 A822	L801-E820 HydrophobicContact CB-CB 4.27Å; L801-E820 HydrophobicContact CB-CG 4.13Å; L801-E820 HydrophobicContact CD1-CG 4.25Å; L801-E820 PolarHBondContact N-O 2.97Å; L801-A822 HydrophobicContact CG-CB 4.39Å
802	S	87.4	Confident	84.9	Confident	45 Å²	45	73.1 Å²	73.1	32%	0.315	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	146	174.6	80.2	0	0	0	0	112.1	I819 E820	S802-I819 WeakPolarHBondContact O-CA 3.39Å; S802-E820 PolarHBondContact N-O 3.41Å; S802-E820 PolarHBondContact O-N 3.47Å; S802-E820 PolarHBondContact OG-OE2 3.17Å
803	V	91	Very high	84.5	Confident	10 Å²	10	68.5 Å²	68.5	6%	0.061	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.2	167.4	179.9	0	0	0	0	106.4	E787 L790 E791 L800 I819	E787-V803 HydrophobicContact CG-CB 4.22Å; E787-V803 HydrophobicContact CG-CG1 3.93Å; L790-V803 HydrophobicContact CB-CG1 3.61Å; L790-V803 HydrophobicContact CD1-CG1 4.01Å; L790-V803 HydrophobicContact CG-CG1 4.5Å; E791-V803 HydrophobicContact CG-CB 4.1Å; E791-V803 HydrophobicContact CG-CG1 4.47Å; E791-V803 HydrophobicContact CG-CG2 3.7Å; L800-V803 HydrophobicContact CD1-CG2 3.99Å; V803-I819 HydrophobicContact CG1-CG1 4.48Å; V803-I819 HydrophobicContact CG2-CG2 4.49Å
804	R	89.9	Confident	84.3	Confident	74 Å²	74	71.8 Å²	71.8	28%	0.279	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	108.7	-176.6	-178.7	-174.7	166.7	-177.5	0.7	110.8	Y744 A817 Y818	Y744-R804 VanDerWaalsContact OH-CZ 3.26Å; Y744-R804 PolarHBondContact OH-NH1 3.07Å; Y744-R804 VanDerWaalsContact OH-NH1 3.17Å; Y744-R804 PolarHBondContact OH-NH2 3.01Å; R804-A817 CarbonylContact O-C 3.49Å; R804-A817 WeakPolarHBondContact O-CA 3.44Å; R804-A817 WeakPolarHBondContact O-CB 3.32Å; R804-Y818 PolarHBondContact N-O 3.49Å; R804-Y818 PolarHBondContact O-N 3.15Å
805	L	90.4	Very high	84	Confident	25 Å²	25	72.2 Å²	72.2	13%	0.131	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.3	171.6	-168.9	67.3	0	0	0	110.7	L781 V785 L790 L807 A817	L781-L805 HydrophobicContact CD1-CD1 3.88Å; V785-L805 VanDerWaalsContact O-CD2 3.24Å; V785-L805 WeakPolarHBondContact O-CD2 3.32Å; L790-L805 HydrophobicContact CD1-CD1 4.02Å; L805-L807 HydrophobicContact CD2-CD2 3.82Å; L805-L807 HydrophobicContact CG-CD2 3.99Å; L805-A817 HydrophobicContact CD1-CB 4.22Å
806	V	87.8	Confident	84	Confident	26 Å²	26	67.6 Å²	67.6	16%	0.158	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.6	178.3	-173.1	0	0	0	0	109.3	K814 L816 Y818	V806-K814 HydrophobicContact CB-CB 4.42Å; V806-K814 HydrophobicContact CG1-CB 4.21Å; V806-K814 HydrophobicContact CG1-CD 3.84Å; V806-K814 HydrophobicContact CG1-CG 4.17Å; V806-K814 WeakPolarHBondContact O-CB 3.5Å; V806-K814 PolarHBondContact O-N 3.28Å; V806-L816 HydrophobicContact CB-CB 3.93Å; V806-L816 WeakPolarHBondContact CB-O 3.26Å; V806-L816 HydrophobicContact CG2-CB 3.82Å; V806-L816 WeakPolarHBondContact CG2-O 3.43Å; V806-L816 PolarHBondContact N-O 2.92Å; V806-Y818 HydrophobicContact CG2-CD2 4.05Å; V806-Y818 HydrophobicContact CG2-CE2 3.83Å
807	L	83.4	Confident	84.1	Confident	55 Å²	55	62.9 Å²	62.9	29%	0.288	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153	-178.8	-52.5	178.4	0	0	0	112.1	L805 Q812 K814	L805-L807 HydrophobicContact CD2-CD2 3.82Å; L805-L807 HydrophobicContact CG-CD2 3.99Å; L807-Q812 CarbonylContact C-O 3.52Å; L807-Q812 WeakPolarHBondContact CA-O 3.41Å; L807-K814 VanDerWaalsContact O-CE 3.29Å; L807-K814 WeakPolarHBondContact O-CE 3.45Å
808	H	72.9	Confident	84.2	Confident	97 Å²	97	63.8 Å²	63.8	45%	0.449	33%	0.333	S	S	.	.			trans	-67.8	165.1	165.3	-85.8	-82.6	0	0	0	110.4	S810 G811 Q812	H808-S810 WeakPolarHBondContact CB-OG 3.4Å; H808-S810 PolarHBondContact O-N 3.32Å; H808-S810 VanDerWaalsContact O-N 3.08Å; H808-G811 PolarHBondContact O-N 3.22Å; H808-Q812 WeakPolarHBondContact CB-O 3.49Å; H808-Q812 PolarHBondContact N-O 3.25Å
809	K	62.2	Low	84.4	Confident	177 Å²	177	62.8 Å²	62.8	77%	0.77	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.1	170.7	-67.4	-175.6	-179.7	-179.3	0	112.9	F683	F683-K809 HydrophobicContact CE2-CB 4.27Å; F683-K809 HydrophobicContact CE2-CG 4.47Å
810	S	62.5	Low	84.5	Confident	87 Å²	87	58.2 Å²	58.2	61%	0.608	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.4	175.5	56.3	0	0	0	0	114.3	H808 Q812	H808-S810 WeakPolarHBondContact CB-OG 3.4Å; H808-S810 PolarHBondContact O-N 3.32Å; H808-S810 VanDerWaalsContact O-N 3.08Å; S810-Q812 VanDerWaalsContact C-N 3.26Å; S810-Q812 PolarHBondContact O-N 3.29Å
811	G	72.1	Confident	84.7	Confident	49 Å²	49	56.2 Å²	56.2	51%	0.505	29%	0.294	S	S	.	.	S	Bend	trans	82.5	-11.8	-176.1	0	0	0	0	0	115.1	H808	H808-G811 PolarHBondContact O-N 3.22Å
812	Q	74.2	Confident	84.7	Confident	137 Å²	137	52.8 Å²	52.8	64%	0.64	28%	0.281	S	S	*	.			trans	-72.5	138.7	176.1	-68.3	-173.7	-18.2	0	0	111.9	L807 H808 S810 K814	L807-Q812 CarbonylContact C-O 3.52Å; L807-Q812 WeakPolarHBondContact CA-O 3.41Å; H808-Q812 WeakPolarHBondContact CB-O 3.49Å; H808-Q812 PolarHBondContact N-O 3.25Å; S810-Q812 VanDerWaalsContact C-N 3.26Å; S810-Q812 PolarHBondContact O-N 3.29Å; Q812-K814 PolarHBondContact O-N 2.96Å
813	S	84	Confident	84.7	Confident	15 Å²	15	54.8 Å²	54.8	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.8	178.3	175.4	0	0	0	0	112.6	G815	S813-G815 PolarHBondContact O-N 3.42Å; S813-G815 PolarHBondContact OG-N 2.86Å; S813-G815 VanDerWaalsContact OG-N 3.1Å
814	K	86.8	Confident	84.6	Confident	102 Å²	102	57.9 Å²	57.9	44%	0.443	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-2.4	170.4	-64	-161.9	179.4	174.3	0	112.6	V806 L807 Q812 L816	V806-K814 HydrophobicContact CB-CB 4.42Å; V806-K814 HydrophobicContact CG1-CB 4.21Å; V806-K814 HydrophobicContact CG1-CD 3.84Å; V806-K814 HydrophobicContact CG1-CG 4.17Å; V806-K814 WeakPolarHBondContact O-CB 3.5Å; V806-K814 PolarHBondContact O-N 3.28Å; L807-K814 VanDerWaalsContact O-CE 3.29Å; L807-K814 WeakPolarHBondContact O-CE 3.45Å; Q812-K814 PolarHBondContact O-N 2.96Å; K814-L816 VanDerWaalsContact C-N 3.33Å
815	G	88.1	Confident	84.6	Confident	9 Å²	9	57 Å²	57	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.7	26.1	-176	0	0	0	0	0	113.7	N780 L781 S813	N780-G815 PolarHBondContact N-O 3.26Å; L781-G815 PolarHBondContact N-O 3.06Å; L781-G815 VanDerWaalsContact O-CA 3.31Å; L781-G815 WeakPolarHBondContact O-CA 3.46Å; S813-G815 PolarHBondContact O-N 3.42Å; S813-G815 PolarHBondContact OG-N 2.86Å; S813-G815 VanDerWaalsContact OG-N 3.1Å
816	L	92.4	Very high	84.7	Confident	51 Å²	51	55.9 Å²	55.9	27%	0.267	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145	177.9	-54.8	172.1	0	0	0	109.4	F777 V778 K779 V806 K814	F777-L816 HydrophobicContact CE2-CB 4.04Å; F777-L816 HydrophobicContact CE2-CD1 4.42Å; F777-L816 HydrophobicContact CE2-CD2 4.19Å; F777-L816 HydrophobicContact CE2-CG 4.46Å; F777-L816 HydrophobicContact CZ-CB 4.49Å; F777-L816 HydrophobicContact CZ-CD1 4.17Å; F777-L816 HydrophobicContact CZ-CD2 3.88Å; F777-L816 HydrophobicContact CZ-CG 4.42Å; V778-L816 CarbonylContact O-C 3.15Å; V778-L816 VanDerWaalsContact O-CA 3.3Å; V778-L816 WeakPolarHBondContact O-CA 3.24Å; K779-L816 HydrophobicContact CB-CD2 4.01Å; K779-L816 HydrophobicContact CG-CD2 3.73Å; V806-L816 HydrophobicContact CB-CB 3.93Å; V806-L816 WeakPolarHBondContact CB-O 3.26Å; V806-L816 HydrophobicContact CG2-CB 3.82Å; V806-L816 WeakPolarHBondContact CG2-O 3.43Å; V806-L816 PolarHBondContact N-O 2.92Å; K814-L816 VanDerWaalsContact C-N 3.33Å
817	A	92.5	Very high	84.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160	170.9	0	0	0	0	0	112.1	F777 V778 L781 L790 R804 L805	F777-A817 WeakPolarHBondContact CD2-O 3.35Å; V778-A817 HydrophobicContact CB-CB 4.36Å; V778-A817 PolarHBondContact N-O 3.49Å; V778-A817 PolarHBondContact O-N 3.3Å; L781-A817 HydrophobicContact CD1-CB 3.38Å; L790-A817 HydrophobicContact CD1-CB 3.45Å; L790-A817 VanDerWaalsContact CD1-CB 3.45Å; R804-A817 CarbonylContact O-C 3.49Å; R804-A817 WeakPolarHBondContact O-CA 3.44Å; R804-A817 WeakPolarHBondContact O-CB 3.32Å; L805-A817 HydrophobicContact CD1-CB 4.22Å
818	Y	93.3	Very high	85	Confident	54 Å²	54	56.9 Å²	56.9	21%	0.212	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137	170.5	-64.8	-90.2	0	0	0	109.3	K775 L776 F777 R804 V806	K775-Y818 HydrophobicContact CD-CD1 4.45Å; L776-Y818 CarbonylContact O-C 3.54Å; L776-Y818 VanDerWaalsContact O-CA 3.3Å; L776-Y818 WeakPolarHBondContact O-CA 3.22Å; F777-Y818 HydrophobicContact CB-CD1 4.34Å; F777-Y818 HydrophobicContact CB-CE1 4.2Å; F777-Y818 AromaticContact CD2-CD1 3.85Å; F777-Y818 HydrophobicContact CD2-CD1 3.85Å; F777-Y818 HydrophobicContact CD2-CD2 4.47Å; F777-Y818 AromaticContact CD2-CE1 3.39Å; F777-Y818 HydrophobicContact CD2-CE1 3.39Å; F777-Y818 HydrophobicContact CD2-CE2 4.07Å; F777-Y818 HydrophobicContact CD2-CG 4.37Å; F777-Y818 AromaticContact CD2-CZ 3.51Å; F777-Y818 AromaticContact CE2-CE1 3.95Å; F777-Y818 HydrophobicContact CE2-CE1 3.95Å; F777-Y818 AromaticContact CE2-CE2 3.97Å; F777-Y818 HydrophobicContact CE2-CE2 3.97Å; F777-Y818 AromaticContact CE2-CZ 3.55Å; F777-Y818 HydrophobicContact CG-CD1 4.48Å; F777-Y818 AromaticContact CG-CE1 4Å; F777-Y818 HydrophobicContact CG-CE1 4Å; R804-Y818 PolarHBondContact N-O 3.49Å; R804-Y818 PolarHBondContact O-N 3.15Å; V806-Y818 HydrophobicContact CG2-CD2 4.05Å; V806-Y818 HydrophobicContact CG2-CE2 3.83Å
819	I	93.2	Very high	85.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123	-178.1	-57.1	-175.3	0	0	0	108.3	K775 L776 V778 F794 L800 S802 V803 Y821	K775-I819 CarbonylContact C-O 3.48Å; K775-I819 WeakPolarHBondContact CA-O 3.29Å; L776-I819 HydrophobicContact CB-CB 4.36Å; L776-I819 PolarHBondContact N-O 3.33Å; L776-I819 PolarHBondContact O-N 2.84Å; V778-I819 HydrophobicContact CG2-CD1 3.7Å; V778-I819 HydrophobicContact CG2-CG1 4.06Å; F794-I819 HydrophobicContact CB-CD1 4.05Å; F794-I819 HydrophobicContact CB-CG2 4.17Å; F794-I819 HydrophobicContact CD1-CD1 3.67Å; F794-I819 HydrophobicContact CD1-CG2 4.32Å; F794-I819 HydrophobicContact CD2-CD1 3.05Å; F794-I819 HydrophobicContact CE1-CD1 3.79Å; F794-I819 HydrophobicContact CE2-CD1 3.17Å; F794-I819 HydrophobicContact CG-CD1 3.31Å; F794-I819 HydrophobicContact CG-CG2 4.26Å; F794-I819 HydrophobicContact CZ-CD1 3.56Å; L800-I819 HydrophobicContact CD2-CG2 3.52Å; S802-I819 WeakPolarHBondContact O-CA 3.39Å; V803-I819 HydrophobicContact CG1-CG1 4.48Å; V803-I819 HydrophobicContact CG2-CG2 4.49Å; I819-Y821 HydrophobicContact CG2-CD2 4.48Å; I819-Y821 HydrophobicContact CG2-CE2 3.99Å
820	E	92.9	Very high	87.3	Confident	61 Å²	61	49.2 Å²	49.2	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.4	-175.9	-168.4	171.1	-174.2	0	0	110	K775 L801 S802	K775-E820 HydrophobicContact CG-CB 4.16Å; K775-E820 HydrophobicContact CG-CG 4.42Å; L801-E820 HydrophobicContact CB-CB 4.27Å; L801-E820 HydrophobicContact CB-CG 4.13Å; L801-E820 HydrophobicContact CD1-CG 4.25Å; L801-E820 PolarHBondContact N-O 2.97Å; S802-E820 PolarHBondContact N-O 3.41Å; S802-E820 PolarHBondContact O-N 3.47Å; S802-E820 PolarHBondContact OG-OE2 3.17Å
821	Y	93.9	Very high	88.6	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	155.9	175.3	-76.8	-84.7	0	0	0	111.4	N774 L776 F794 F797 L800 I819 D823 A827 A830	N774-Y821 PolarHBondContact O-N 3.39Å; L776-Y821 HydrophobicContact CD1-CD2 4.36Å; L776-Y821 HydrophobicContact CD1-CE2 3.75Å; L776-Y821 HydrophobicContact CG-CE2 4.42Å; F794-Y821 WeakPolarHBondContact CB-OH 3.45Å; F794-Y821 HydrophobicContact CD1-CE2 4.48Å; F794-Y821 WeakPolarHBondContact CD1-OH 3.49Å; F794-Y821 PolarHBondContact O-OH 3.16Å; F797-Y821 HydrophobicContact CB-CE1 4.23Å; L800-Y821 HydrophobicContact CD2-CD1 3.87Å; L800-Y821 HydrophobicContact CD2-CD2 4.48Å; L800-Y821 HydrophobicContact CD2-CE1 3.44Å; L800-Y821 VanDerWaalsContact CD2-CE1 3.44Å; L800-Y821 HydrophobicContact CD2-CE2 4.1Å; L800-Y821 HydrophobicContact CD2-CG 4.39Å; L800-Y821 HydrophobicContact CG-CE1 4.34Å; I819-Y821 HydrophobicContact CG2-CD2 4.48Å; I819-Y821 HydrophobicContact CG2-CE2 3.99Å; Y821-D823 VanDerWaalsContact C-N 3.27Å; Y821-D823 PolarHBondContact O-N 3.02Å; Y821-A827 HydrophobicContact CD2-CB 3.95Å; Y821-A827 HydrophobicContact CG-CB 4.5Å; Y821-A830 HydrophobicContact CE2-CB 3.62Å; Y821-A830 WeakPolarHBondContact OH-CB 3.41Å
822	A	87.8	Confident	89.4	Confident	34 Å²	34	49.7 Å²	49.7	28%	0.281	26%	0.257	S	S	.	.	S	Bend	trans	-62.1	-33.3	171.6	0	0	0	0	0	113.1	K799 L801	K799-A822 HydrophobicContact CB-CB 4.18Å; K799-A822 PolarHBondContact O-N 3.47Å; L801-A822 HydrophobicContact CG-CB 4.39Å
823	D	88.2	Confident	90.1	Very high	87 Å²	87	49.9 Å²	49.9	47%	0.465	26%	0.255	S	S	.	.	S	Bend	trans	-132.1	145.5	-172.9	-45.6	-64.8	0	0	0	112.5	Y821 S825 S826 A827	Y821-D823 VanDerWaalsContact C-N 3.27Å; Y821-D823 PolarHBondContact O-N 3.02Å; D823-S825 VanDerWaalsContact C-N 3.3Å; D823-S825 PolarHBondContact O-N 3.1Å; D823-S826 WeakPolarHBondContact O-CB 3.45Å; D823-S826 PolarHBondContact O-N 3.09Å; D823-S826 VanDerWaalsContact O-N 3.09Å; D823-A827 PolarHBondContact O-N 3.29Å
824	E	89.2	Confident	90.3	Very high	74 Å²	74	49.1 Å²	49.1	35%	0.346	25%	0.25	S	S	.	.	H	α-helix	trans	-55.6	-43.6	176	-173.3	171.1	171.2	0	0	111.5	K773 N774 S826 A827 E828	K773-E824 HydrophobicContact CB-CG 4.04Å; K773-E824 VanDerWaalsContact CD-CD 3.48Å; K773-E824 HydrophobicContact CD-CG 4.37Å; K773-E824 WeakPolarHBondContact CD-OE1 3.47Å; K773-E824 IonicContact NZ-OE1 3.5Å; K773-E824 PolarHBondContact NZ-OE1 2.75Å; K773-E824 IonicContact NZ-OE2 2.65Å; N774-E824 WeakPolarHBondContact OD1-CA 3.2Å; N774-E824 VanDerWaalsContact OD1-CB 3.23Å; N774-E824 WeakPolarHBondContact OD1-CB 3.25Å; N774-E824 PolarHBondContact OD1-N 3.25Å; N774-E824 VanDerWaalsContact OD1-N 3.17Å; E824-S826 PolarHBondContact O-N 2.93Å; E824-A827 WeakPolarHBondContact O-CB 3.45Å; E824-A827 PolarHBondContact O-N 3.4Å; E824-A827 VanDerWaalsContact O-N 3.09Å; E824-E828 PolarHBondContact O-N 2.95Å
825	S	88.8	Confident	90.4	Very high	55 Å²	55	47 Å²	47	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-31.9	179.4	72.5	0	0	0	0	113	D823 R829	D823-S825 VanDerWaalsContact C-N 3.3Å; D823-S825 PolarHBondContact O-N 3.1Å; S825-R829 VanDerWaalsContact O-CG 3.3Å; S825-R829 WeakPolarHBondContact O-CG 3.49Å; S825-R829 PolarHBondContact O-N 3.44Å; S825-R829 VanDerWaalsContact O-N 3.12Å; S825-R829 PolarHBondContact O-NH1 3Å; S825-R829 PolarHBondContact OG-NH1 2.81Å; S825-R829 VanDerWaalsContact OG-NH1 3.12Å
826	S	91.9	Very high	90.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-73.4	-38.8	177.3	-60.7	0	0	0	0	111.3	D823 E824 R829 A830	D823-S826 WeakPolarHBondContact O-CB 3.45Å; D823-S826 PolarHBondContact O-N 3.09Å; D823-S826 VanDerWaalsContact O-N 3.09Å; E824-S826 PolarHBondContact O-N 2.93Å; S826-R829 PolarHBondContact OG-NH2 3.49Å; S826-A830 WeakPolarHBondContact O-CB 3.43Å; S826-A830 PolarHBondContact O-N 2.98Å
827	A	90.2	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-42	175	0	0	0	0	0	112	K773 L776 Y821 D823 E824 A830 L831	K773-A827 WeakPolarHBondContact O-CB 3.2Å; L776-A827 HydrophobicContact CD2-CB 4.17Å; L776-A827 HydrophobicContact CG-CB 4.4Å; Y821-A827 HydrophobicContact CD2-CB 3.95Å; Y821-A827 HydrophobicContact CG-CB 4.5Å; D823-A827 PolarHBondContact O-N 3.29Å; E824-A827 WeakPolarHBondContact O-CB 3.45Å; E824-A827 PolarHBondContact O-N 3.4Å; E824-A827 VanDerWaalsContact O-N 3.09Å; A827-A830 PolarHBondContact O-N 3.33Å; A827-L831 VanDerWaalsContact O-CB 3.29Å; A827-L831 WeakPolarHBondContact O-CB 3.26Å; A827-L831 PolarHBondContact O-N 3.17Å
828	E	88.9	Confident	89.7	Confident	101 Å²	101	51.1 Å²	51.1	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-45.9	175.4	-72	-176.5	160	0	0	112.5	E824 A830 L831 S832	E824-E828 PolarHBondContact O-N 2.95Å; E828-A830 VanDerWaalsContact C-N 3.29Å; E828-A830 PolarHBondContact O-N 3.38Å; E828-L831 WeakPolarHBondContact O-CB 3.48Å; E828-L831 PolarHBondContact O-N 2.95Å; E828-S832 PolarHBondContact O-N 3.36Å; E828-S832 PolarHBondContact O-OG 3.2Å
829	R	90.8	Very high	89.4	Confident	113 Å²	113	50.1 Å²	50.1	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-42.5	175.4	-75.3	-170.9	-52.6	-90.2	1.5	111.8	F797 S825 S826 K833	F797-R829 PolarHBondContact O-NE 3.24Å; F797-R829 PolarHBondContact O-NH2 3.41Å; S825-R829 VanDerWaalsContact O-CG 3.3Å; S825-R829 WeakPolarHBondContact O-CG 3.49Å; S825-R829 PolarHBondContact O-N 3.44Å; S825-R829 VanDerWaalsContact O-N 3.12Å; S825-R829 PolarHBondContact O-NH1 3Å; S825-R829 PolarHBondContact OG-NH1 2.81Å; S825-R829 VanDerWaalsContact OG-NH1 3.12Å; S826-R829 PolarHBondContact OG-NH2 3.49Å; R829-K833 WeakPolarHBondContact O-CB 3.43Å; R829-K833 WeakPolarHBondContact O-CG 3.38Å; R829-K833 PolarHBondContact O-N 3Å
830	A	92	Very high	88.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-45.7	175.6	0	0	0	0	0	111.3	L776 F794 F797 Y821 S826 A827 E828 S832 K833 T834	L776-A830 HydrophobicContact CD1-CB 3.65Å; F794-A830 HydrophobicContact CD1-CB 4.22Å; F797-A830 HydrophobicContact CB-CB 3.71Å; F797-A830 HydrophobicContact CD2-CB 3.78Å; F797-A830 HydrophobicContact CG-CB 3.79Å; Y821-A830 HydrophobicContact CE2-CB 3.62Å; Y821-A830 WeakPolarHBondContact OH-CB 3.41Å; S826-A830 WeakPolarHBondContact O-CB 3.43Å; S826-A830 PolarHBondContact O-N 2.98Å; A827-A830 PolarHBondContact O-N 3.33Å; E828-A830 VanDerWaalsContact C-N 3.29Å; E828-A830 PolarHBondContact O-N 3.38Å; A830-S832 PolarHBondContact O-N 2.96Å; A830-K833 PolarHBondContact O-N 3.16Å; A830-T834 VanDerWaalsContact O-CB 3.28Å; A830-T834 WeakPolarHBondContact O-CB 3.5Å; A830-T834 WeakPolarHBondContact O-CG2 3.49Å; A830-T834 PolarHBondContact O-N 2.79Å; A830-T834 PolarHBondContact O-OG1 3.17Å
831	L	90	Very high	88.2	Confident	43 Å²	43	58 Å²	58	23%	0.225	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-51.9	177.5	179.2	66.9	0	0	0	111.5	L776 A827 E828 K833 D835 V846 L848	L776-L831 HydrophobicContact CD2-CB 4.14Å; L776-L831 HydrophobicContact CD2-CD1 4.45Å; A827-L831 VanDerWaalsContact O-CB 3.29Å; A827-L831 WeakPolarHBondContact O-CB 3.26Å; A827-L831 PolarHBondContact O-N 3.17Å; E828-L831 WeakPolarHBondContact O-CB 3.48Å; E828-L831 PolarHBondContact O-N 2.95Å; L831-K833 VanDerWaalsContact C-N 3.31Å; L831-K833 PolarHBondContact O-N 2.99Å; L831-D835 VanDerWaalsContact O-CB 3.27Å; L831-D835 WeakPolarHBondContact O-CB 2.99Å; L831-D835 PolarHBondContact O-N 3.21Å; L831-V846 VanDerWaalsContact CD1-C 3.46Å; L831-V846 HydrophobicContact CD1-CB 4.2Å; L831-V846 HydrophobicContact CD1-CG1 3.96Å; L831-V846 WeakPolarHBondContact CD1-O 2.96Å; L831-L848 HydrophobicContact CD2-CD2 4.49Å; L831-L848 HydrophobicContact CD2-CG 4.24Å
832	S	87.6	Confident	87.6	Confident	103 Å²	103	60.9 Å²	60.9	72%	0.72	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-30.6	-178.9	-57.6	0	0	0	0	113.7	E828 A830	E828-S832 PolarHBondContact O-N 3.36Å; E828-S832 PolarHBondContact O-OG 3.2Å; A830-S832 PolarHBondContact O-N 2.96Å
833	K	88.8	Confident	87.6	Confident	141 Å²	141	62 Å²	62	61%	0.613	31%	0.311	S	S	*	.	H	α-helix	trans	-95.3	-23.6	-177.1	-71.1	-173.3	174.9	-174.4	0	114.3	F797 R829 A830 L831 I837	F797-K833 HydrophobicContact CD1-CB 4.34Å; F797-K833 HydrophobicContact CD1-CD 3.98Å; F797-K833 HydrophobicContact CE1-CB 3.57Å; F797-K833 HydrophobicContact CE1-CD 3.46Å; F797-K833 VanDerWaalsContact CE1-CD 3.46Å; F797-K833 HydrophobicContact CE1-CG 4.13Å; F797-K833 HydrophobicContact CZ-CB 3.93Å; R829-K833 WeakPolarHBondContact O-CB 3.43Å; R829-K833 WeakPolarHBondContact O-CG 3.38Å; R829-K833 PolarHBondContact O-N 3Å; A830-K833 PolarHBondContact O-N 3.16Å; L831-K833 VanDerWaalsContact C-N 3.31Å; L831-K833 PolarHBondContact O-N 2.99Å; K833-I837 WeakPolarHBondContact O-CG2 3.3Å
834	T	88.3	Confident	87.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-108.2	-19.9	-175.7	64.4	0	0	0	0	113.9	F794 F797 A830 G836 I837	F794-T834 HydrophobicContact CD1-CG2 4.22Å; F794-T834 HydrophobicContact CE1-CG2 3.89Å; F794-T834 VanDerWaalsContact CE1-OG1 3.25Å; F794-T834 WeakPolarHBondContact CE1-OG1 3.17Å; F794-T834 HydrophobicContact CZ-CG2 4.28Å; F797-T834 HydrophobicContact CD2-CG2 4.05Å; F797-T834 HydrophobicContact CE2-CG2 3.2Å; F797-T834 HydrophobicContact CZ-CG2 3.57Å; A830-T834 VanDerWaalsContact O-CB 3.28Å; A830-T834 WeakPolarHBondContact O-CB 3.5Å; A830-T834 WeakPolarHBondContact O-CG2 3.49Å; A830-T834 PolarHBondContact O-N 2.79Å; A830-T834 PolarHBondContact O-OG1 3.17Å; T834-G836 PolarHBondContact O-N 2.75Å; T834-G836 VanDerWaalsContact O-N 3.16Å; T834-I837 HydrophobicContact CG2-CD1 4.14Å; T834-I837 WeakPolarHBondContact O-CG1 2.81Å; T834-I837 PolarHBondContact O-N 3.29Å
835	D	89.2	Confident	87.8	Confident	58 Å²	58	55.7 Å²	55.7	31%	0.31	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	120.2	171.2	-173.7	52.7	0	0	0	110.1	L831 S845 V846 R880	L831-D835 VanDerWaalsContact O-CB 3.27Å; L831-D835 WeakPolarHBondContact O-CB 2.99Å; L831-D835 PolarHBondContact O-N 3.21Å; D835-S845 VanDerWaalsContact OD1-CA 3.28Å; D835-S845 WeakPolarHBondContact OD1-CA 3.31Å; D835-V846 HydrophobicContact CB-CB 4.11Å; D835-V846 PolarHBondContact OD1-N 2.82Å; D835-R880 IonicContact OD1-NH1 2.7Å; D835-R880 PolarHBondContact OD1-NH1 3.24Å; D835-R880 IonicContact OD2-CZ 3.25Å; D835-R880 IonicContact OD2-NH1 2.76Å; D835-R880 PolarHBondContact OD2-NH1 3.44Å; D835-R880 IonicContact OD2-NH2 3.79Å
836	G	84.1	Confident	87.9	Confident	13 Å²	13	53.2 Å²	53.2	13%	0.134	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	7.1	177.7	0	0	0	0	0	116.5	T834 R843 L844	T834-G836 PolarHBondContact O-N 2.75Å; T834-G836 VanDerWaalsContact O-N 3.16Å; G836-R843 VanDerWaalsContact C-CG 3.45Å; G836-R843 VanDerWaalsContact CA-NE 3.31Å; G836-R843 VanDerWaalsContact O-CD 3.28Å; G836-R843 WeakPolarHBondContact O-CD 3.39Å; G836-R843 WeakPolarHBondContact O-CG 3.46Å; G836-R843 PolarHBondContact O-NE 3.37Å; G836-L844 WeakPolarHBondContact CA-O 3.39Å; G836-L844 PolarHBondContact N-O 3.44Å
837	I	89.5	Confident	87.9	Confident	51 Å²	51	57.4 Å²	57.4	26%	0.262	28%	0.284	S	S	.	.			trans	-77.6	155.4	170.1	72.1	179.9	0	0	0	111.7	L793 K833 T834 R843 L844	L793-I837 HydrophobicContact CD1-CD1 3.73Å; L793-I837 HydrophobicContact CD2-CD1 4.12Å; L793-I837 HydrophobicContact CG-CD1 4.32Å; K833-I837 WeakPolarHBondContact O-CG2 3.3Å; T834-I837 HydrophobicContact CG2-CD1 4.14Å; T834-I837 WeakPolarHBondContact O-CG1 2.81Å; T834-I837 PolarHBondContact O-N 3.29Å; I837-R843 CarbonylContact O-C 3.59Å; I837-R843 WeakPolarHBondContact O-CA 3.47Å; I837-L844 HydrophobicContact CD1-CD1 4.31Å; I837-L844 HydrophobicContact CG1-CD1 4.1Å; I837-L844 HydrophobicContact CG1-CG 4.36Å; I837-L844 PolarHBondContact O-N 2.87Å
838	H	86.1	Confident	87.9	Confident	82 Å²	82	59.6 Å²	59.6	38%	0.38	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.9	173.5	-57.2	71.1	0	0	0	110.2	K842 R880 L882 R887	H838-K842 CarbonylContact C-O 3.55Å; H838-K842 WeakPolarHBondContact CA-O 3.06Å; H838-R880 PolarHBondContact NE2-O 3.34Å; H838-L882 PolarHBondContact CD2-O 3.1Å; H838-L882 PolarHBondContact NE2-O 2.73Å; H838-R887 PolarHBondContact CE1-NH1 3.45Å; H838-R887 PolarHBondContact NE2-NH1 3.28Å
839	F	86.3	Confident	87.8	Confident	32 Å²	32	54.9 Å²	54.9	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	116.2	-176.2	-176.6	-114.3	0	0	0	109.3	L781 V785 D789 L790 L793 N841 K842 L844	L781-F839 HydrophobicContact CD2-CD1 4.37Å; V785-F839 HydrophobicContact CG1-CE1 4.03Å; V785-F839 HydrophobicContact CG2-CD1 4.13Å; V785-F839 HydrophobicContact CG2-CE1 3.85Å; D789-F839 HydrophobicContact CB-CE1 4.2Å; D789-F839 HydrophobicContact CB-CZ 3.66Å; D789-F839 VanDerWaalsContact O-CZ 3.25Å; D789-F839 WeakPolarHBondContact O-CZ 3.33Å; L790-F839 HydrophobicContact CD2-CE1 4.35Å; L793-F839 HydrophobicContact CB-CE2 4.08Å; L793-F839 HydrophobicContact CB-CZ 4.18Å; L793-F839 HydrophobicContact CD1-CD2 4.07Å; L793-F839 HydrophobicContact CD1-CE2 4.24Å; L793-F839 HydrophobicContact CD2-CB 4.31Å; L793-F839 HydrophobicContact CD2-CD1 3.92Å; L793-F839 HydrophobicContact CD2-CD2 3.77Å; L793-F839 HydrophobicContact CD2-CE1 4.1Å; L793-F839 HydrophobicContact CD2-CE2 3.98Å; L793-F839 HydrophobicContact CD2-CG 3.73Å; L793-F839 HydrophobicContact CD2-CZ 4.12Å; L793-F839 HydrophobicContact CG-CD2 4.38Å; L793-F839 HydrophobicContact CG-CE2 4.33Å; F839-N841 PolarHBondContact O-N 3.05Å; F839-K842 PolarHBondContact N-O 3.08Å; F839-K842 WeakPolarHBondContact O-CA 3.45Å; F839-K842 PolarHBondContact O-N 3.28Å; F839-L844 HydrophobicContact CB-CD1 3.81Å; F839-L844 HydrophobicContact CB-CD2 4.11Å; F839-L844 HydrophobicContact CB-CG 3.94Å; F839-L844 HydrophobicContact CD1-CD1 4.21Å; F839-L844 HydrophobicContact CD1-CD2 4.35Å; F839-L844 HydrophobicContact CG-CD1 4.22Å
840	H	83.6	Confident	87.3	Confident	90 Å²	90	54.2 Å²	54.2	42%	0.417	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	47.3	-171.5	-66.8	-86.6	0	0	0	115	V785 K842	V785-H840 HydrophobicContact CG2-CB 3.96Å; H840-K842 PolarHBondContact O-N 3.37Å
841	N	77.7	Confident	86.3	Confident	138 Å²	138	55.9 Å²	55.9	74%	0.738	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	33	-173.7	-62	-18.3	0	0	0	111.4	F839 L881	F839-N841 PolarHBondContact O-N 3.05Å; N841-L881 WeakPolarHBondContact O-CD2 3.3Å
842	K	81.4	Confident	84.6	Confident	60 Å²	60	59.2 Å²	59.2	26%	0.261	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.2	170.3	-6.6	-169.2	169.2	171.3	0	116.8	N780 L781 H838 F839 H840 L844 L881	N780-K842 WeakPolarHBondContact O-CB 3.26Å; L781-K842 WeakPolarHBondContact O-CD 3.07Å; H838-K842 CarbonylContact C-O 3.55Å; H838-K842 WeakPolarHBondContact CA-O 3.06Å; F839-K842 PolarHBondContact N-O 3.08Å; F839-K842 WeakPolarHBondContact O-CA 3.45Å; F839-K842 PolarHBondContact O-N 3.28Å; H840-K842 PolarHBondContact O-N 3.37Å; K842-L844 PolarHBondContact O-N 3.4Å; K842-L881 HydrophobicContact CB-CD1 3.64Å; K842-L881 HydrophobicContact CB-CD2 3.21Å; K842-L881 HydrophobicContact CB-CG 3.75Å; K842-L881 HydrophobicContact CD-CD1 3.52Å; K842-L881 HydrophobicContact CD-CD2 4.41Å; K842-L881 HydrophobicContact CG-CD1 3.63Å; K842-L881 HydrophobicContact CG-CD2 3.56Å; K842-L881 HydrophobicContact CG-CG 4.13Å
843	R	87.9	Confident	83.1	Confident	59 Å²	59	59.3 Å²	59.3	22%	0.223	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.5	170.6	178.8	-179.1	172.7	-154.3	0.9	109.8	N780 G836 I837 R880	N780-R843 PolarHBondContact ND2-O 3.09Å; G836-R843 VanDerWaalsContact C-CG 3.45Å; G836-R843 VanDerWaalsContact CA-NE 3.31Å; G836-R843 VanDerWaalsContact O-CD 3.28Å; G836-R843 WeakPolarHBondContact O-CD 3.39Å; G836-R843 WeakPolarHBondContact O-CG 3.46Å; G836-R843 PolarHBondContact O-NE 3.37Å; I837-R843 CarbonylContact O-C 3.59Å; I837-R843 WeakPolarHBondContact O-CA 3.47Å; R843-R880 HydrophobicContact CB-CB 3.47Å; R843-R880 VanDerWaalsContact CB-CB 3.47Å; R843-R880 WeakPolarHBondContact CB-O 3.37Å; R843-R880 WeakPolarHBondContact CD-O 3.37Å; R843-R880 HydrophobicContact CG-CB 3.45Å; R843-R880 VanDerWaalsContact CG-CB 3.45Å; R843-R880 HydrophobicContact CG-CG 4.02Å; R843-R880 WeakPolarHBondContact CG-O 3.49Å; R843-R880 VanDerWaalsContact CZ-CD 3.45Å; R843-R880 VanDerWaalsContact CZ-NE 3.26Å; R843-R880 VanDerWaalsContact NE-CD 3.33Å
844	L	90.4	Very high	81	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.326	C	S	.	.			trans	-69.4	140.8	-170.3	-53.2	-174.2	0	0	0	109.3	V778 L781 L793 G836 I837 F839 K842 V846	V778-L844 HydrophobicContact CG1-CB 4.37Å; V778-L844 HydrophobicContact CG1-CD1 4.39Å; V778-L844 HydrophobicContact CG1-CD2 4.39Å; L781-L844 HydrophobicContact CD2-CD2 3.47Å; L781-L844 VanDerWaalsContact CD2-CD2 3.47Å; L781-L844 HydrophobicContact CG-CD2 4.32Å; L793-L844 HydrophobicContact CD2-CD1 3.43Å; L793-L844 VanDerWaalsContact CD2-CD1 3.43Å; G836-L844 WeakPolarHBondContact CA-O 3.39Å; G836-L844 PolarHBondContact N-O 3.44Å; I837-L844 HydrophobicContact CD1-CD1 4.31Å; I837-L844 HydrophobicContact CG1-CD1 4.1Å; I837-L844 HydrophobicContact CG1-CG 4.36Å; I837-L844 PolarHBondContact O-N 2.87Å; F839-L844 HydrophobicContact CB-CD1 3.81Å; F839-L844 HydrophobicContact CB-CD2 4.11Å; F839-L844 HydrophobicContact CB-CG 3.94Å; F839-L844 HydrophobicContact CD1-CD1 4.21Å; F839-L844 HydrophobicContact CD1-CD2 4.35Å; F839-L844 HydrophobicContact CG-CD1 4.22Å; K842-L844 PolarHBondContact O-N 3.4Å; L844-V846 HydrophobicContact CB-CG2 4.1Å
845	S	89.9	Confident	78.9	Confident	28 Å²	28	72.9 Å²	72.9	20%	0.196	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112	162.6	171.3	0	0	0	0	106.7	V778 K779 D835	V778-S845 CarbonylContact C-O 3.46Å; V778-S845 WeakPolarHBondContact CA-O 3.5Å; K779-S845 PolarHBondContact N-O 3.48Å; K779-S845 PolarHBondContact O-N 3.42Å; K779-S845 VanDerWaalsContact O-N 3.07Å; D835-S845 VanDerWaalsContact OD1-CA 3.28Å; D835-S845 WeakPolarHBondContact OD1-CA 3.31Å
846	V	92.5	Very high	76.6	Confident	3 Å²	3	75.9 Å²	75.9	2%	0.018	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.6	-177.9	-173.7	0	0	0	0	106.5	L776 V778 F794 L831 D835 L844	L776-V846 HydrophobicContact CB-CG1 3.91Å; L776-V846 HydrophobicContact CD1-CG1 3.79Å; L776-V846 HydrophobicContact CD2-CG1 4.26Å; L776-V846 HydrophobicContact CG-CG1 4.21Å; V778-V846 HydrophobicContact CG1-CG2 4.24Å; V778-V846 HydrophobicContact CG2-CG1 4.34Å; V778-V846 HydrophobicContact CG2-CG2 4.24Å; F794-V846 HydrophobicContact CE1-CG1 4.33Å; F794-V846 HydrophobicContact CE1-CG2 4.5Å; F794-V846 HydrophobicContact CZ-CG2 4.07Å; L831-V846 VanDerWaalsContact CD1-C 3.46Å; L831-V846 HydrophobicContact CD1-CB 4.2Å; L831-V846 HydrophobicContact CD1-CG1 3.96Å; L831-V846 WeakPolarHBondContact CD1-O 2.96Å; D835-V846 HydrophobicContact CB-CB 4.11Å; D835-V846 PolarHBondContact OD1-N 2.82Å; L844-V846 HydrophobicContact CB-CG2 4.1Å
847	Q	90.9	Very high	74.3	Confident	90 Å²	90	81 Å²	81	42%	0.421	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.9	179.7	-66.6	-179.5	-30.8	0	0	108.8	L776 F777 K779	L776-Q847 CarbonylContact C-O 3.46Å; L776-Q847 VanDerWaalsContact CA-O 3.31Å; L776-Q847 WeakPolarHBondContact CA-O 3.41Å; F777-Q847 PolarHBondContact N-O 3.17Å; F777-Q847 PolarHBondContact O-N 2.74Å; K779-Q847 VanDerWaalsContact NZ-OE1 3.13Å
848	L	90.5	Very high	71.8	Confident	47 Å²	47	85.4 Å²	85.4	25%	0.246	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	138.3	163.3	-65.4	177.4	0	0	0	109.2	L771 K773 L776 L831 N850	L771-L848 HydrophobicContact CD1-CB 3.76Å; L771-L848 HydrophobicContact CD1-CD1 4.39Å; L771-L848 HydrophobicContact CD2-CD1 4.4Å; L771-L848 HydrophobicContact CG-CB 4.49Å; K773-L848 WeakPolarHBondContact O-CD2 3.44Å; L776-L848 HydrophobicContact CD2-CD2 3.97Å; L831-L848 HydrophobicContact CD2-CD2 4.49Å; L831-L848 HydrophobicContact CD2-CG 4.24Å; L848-N850 PolarHBondContact O-N 2.93Å
849	S	85.4	Confident	69.3	Low	1 Å²	1	86.3 Å²	86.3	1%	0.007	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	119.2	-178	175.1	0	0	0	0	110.3	E772 K775	E772-S849 PolarHBondContact N-O 3.03Å; E772-S849 WeakPolarHBondContact OE2-CB 3.27Å; E772-S849 PolarHBondContact OE2-OG 3.37Å; K775-S849 WeakPolarHBondContact O-CB 3.49Å; K775-S849 PolarHBondContact O-N 3.34Å
850	N	82.4	Confident	66.7	Low	100 Å²	100	88.9 Å²	88.9	54%	0.535	51%	0.51	S	S	.	.			trans	-140.1	79.6	178.6	-169.1	24	0	0	0	111	L771 L848	L771-N850 HydrophobicContact CD1-CB 4.05Å; L848-N850 PolarHBondContact O-N 2.93Å
851	P	69.9	Low	64.3	Low	34 Å²	34	88.4 Å²	88.4	22%	0.221	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-69.5	132	-174	-16.6	31.5	0	0	0	112.5	F768	F768-P851 WeakPolarHBondContact O-CD 3.25Å
852	P	54	Low	62.2	Low	114 Å²	114	89.1 Å²	89.1	74%	0.74	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-71.4	150.9	-179.7	27.3	-33.2	0	0	0	113
853	P	56.7	Low	60.2	Low	105 Å²	105	90.5 Å²	90.5	68%	0.682	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-66.8	143.5	175.7	27.4	-33	0	0	0	111.6
854	R	43.5	Very low	57.5	Low	242 Å²	242	94.3 Å²	94.3	91%	0.913	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-81.3	125	-177.6	-144.8	178.9	-170.8	-138.7	1.5	110.3
855	Q	44.8	Very low	55	Low	183 Å²	183	103.6 Å²	103.6	86%	0.855	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-74	142.5	173.6	-69.9	-167.7	-7.7	0	0	111.7
856	P	41.6	Very low	52.3	Low	121 Å²	121	107.7 Å²	107.7	79%	0.786	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-73.7	135.2	177.6	28.5	-31.5	0	0	0	111.8
857	S	35.3	Very low	49.4	Very low	122 Å²	122	117.5 Å²	117.5	85%	0.853	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-89.1	116.2	178.7	54.2	0	0	0	0	111.8
858	T	37.5	Very low	46.7	Very low	142 Å²	142	118.7 Å²	118.7	87%	0.871	72%	0.716	S	S	*	*			trans	-120.9	144.3	169.4	27	0	0	0	0	111.4
859	A	33.9	Very low	43.9	Very low	101 Å²	101	122.9 Å²	122.9	84%	0.835	74%	0.743	S	S	*	*			trans	-83.2	148.8	-169.5	0	0	0	0	0	114.2
860	G	31	Very low	41.4	Very low	87 Å²	87	129 Å²	129	90%	0.897	78%	0.78	S	S	*	*			trans	76.1	124.1	150.1	0	0	0	0	0	118.9
861	G	33.4	Very low	39	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	80%	0.795	S	S	*	*			trans	133.6	104.7	158.2	0	0	0	0	0	115.2
862	V	33.3	Very low	37.1	Very low	153 Å²	153	136.5 Å²	136.5	93%	0.927	82%	0.819	S	S	*	*			trans	-81.5	112.8	170	176.8	0	0	0	0	108.7
863	A	38.7	Very low	36.1	Very low	89 Å²	89	136.7 Å²	136.7	74%	0.736	82%	0.82	S	S	*	*			trans	-146.4	117.5	160.4	0	0	0	0	0	109.3	K865	A863-K865 PolarHBondContact O-N 3.31Å
864	T	32.7	Very low	34.9	Very low	139 Å²	139	141.3 Å²	141.3	85%	0.853	83%	0.829	S	S	*	*			trans	-58.7	125.6	173.4	44.2	0	0	0	0	111.1
865	K	37.6	Very low	34.6	Very low	196 Å²	196	134.5 Å²	134.5	85%	0.852	82%	0.819	S	S	*	*			trans	-135.3	147.1	161.3	-80	-169.2	179.6	180	0	111	A863	A863-K865 PolarHBondContact O-N 3.31Å
866	P	32.2	Very low	34	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.3	151.4	-156.7	30.3	-23.4	0	0	0	112.5	P868	P866-P868 VanDerWaalsContact O-CD 3.32Å; P866-P868 WeakPolarHBondContact O-CD 3.31Å
867	F	31	Very low	33.6	Very low	208 Å²	208	127.9 Å²	127.9	91%	0.912	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.9	123.5	177.4	-83	-87.8	0	0	0	111.8
868	P	35.3	Very low	33.7	Very low	116 Å²	116	130.2 Å²	130.2	75%	0.753	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.4	130.5	155.9	7.9	12.8	0	0	0	109.5	P866 T870	P866-P868 VanDerWaalsContact O-CD 3.32Å; P866-P868 WeakPolarHBondContact O-CD 3.31Å; P868-T870 PolarHBondContact O-N 3.17Å
869	V	31.4	Very low	33.5	Very low	134 Å²	134	124.6 Å²	124.6	81%	0.812	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.2	119.9	169.5	176.6	0	0	0	0	109.1
870	T	33.3	Very low	33.8	Very low	129 Å²	129	123.5 Å²	123.5	79%	0.791	73%	0.73	S	S	*	*			trans	170.5	135.1	133	30.9	0	0	0	0	114.4	P868	P868-T870 PolarHBondContact O-N 3.17Å
871	Q	32.5	Very low	34.3	Very low	181 Å²	181	121.4 Å²	121.4	85%	0.846	70%	0.698	S	S	*	*			trans	93	123.7	164	-54.3	-161.8	4.3	0	0	120.1
872	P	29.2	Very low	34.3	Very low	112 Å²	112	118.6 Å²	118.6	73%	0.727	67%	0.665	S	S	*	*			trans	-88.9	135	-165.8	35.2	-33.1	0	0	0	113
873	P	32.9	Very low	34.3	Very low	118 Å²	118	114.1 Å²	114.1	77%	0.766	64%	0.638	S	S	*	*			trans	-83.9	119.3	172.1	30.6	-29.5	0	0	0	111.5	S875	P873-S875 PolarHBondContact O-N 3.31Å; P873-S875 VanDerWaalsContact O-N 3.13Å
874	K	31.1	Very low	33.9	Very low	202 Å²	202	119.9 Å²	119.9	88%	0.878	64%	0.641	S	S	*	*			trans	-64.4	100	173.9	-62.4	173.7	179.3	177.1	0	111
875	S	37.1	Very low	34	Very low	98 Å²	98	116.4 Å²	116.4	69%	0.685	63%	0.627	S	S	*	*			trans	-156.7	91	161.6	51.7	0	0	0	0	112.6	P873 P877	P873-S875 PolarHBondContact O-N 3.31Å; P873-S875 VanDerWaalsContact O-N 3.13Å; S875-P877 WeakPolarHBondContact O-CD 3.41Å
876	A	32.3	Very low	34.1	Very low	64 Å²	64	108.3 Å²	108.3	53%	0.529	59%	0.594	S	S	.	*			trans	-64.5	124.5	172.6	0	0	0	0	0	112.2	Y907	A876-Y907 HydrophobicContact CB-CD1 4.15Å; A876-Y907 HydrophobicContact CB-CE1 3.31Å
877	P	33.3	Very low	34.4	Very low	102 Å²	102	107.4 Å²	107.4	66%	0.662	58%	0.575	S	S	*	*			trans	-110.1	127.7	175.3	31.1	-16	0	0	0	113.3	S875	S875-P877 WeakPolarHBondContact O-CD 3.41Å
878	K	37.2	Very low	34.5	Very low	171 Å²	171	102.6 Å²	102.6	74%	0.743	56%	0.563	S	S	*	*	S	Bend	trans	50.5	70.6	143.3	-62.9	178.3	178	175.3	0	118.3
879	M	34.8	Very low	34.2	Very low	24 Å²	24	103.1 Å²	103.1	12%	0.118	56%	0.559	C	S	.	*			trans	-137.5	9.1	171.7	-143.6	-95	-46.4	0	0	113.5	L881 L882 E909 E910 A913	M879-L881 PolarHBondContact O-N 3.32Å; M879-L882 HydrophobicContact SD-CD1 4.26Å; M879-E909 HydrophobicContact CE-CB 4.24Å; M879-E910 HydrophobicContact CB-CB 3.98Å; M879-E910 HydrophobicContact CB-CG 3.55Å; M879-E910 HydrophobicContact CE-CB 3.86Å; M879-E910 VanDerWaalsContact CE-CD 3.44Å; M879-E910 HydrophobicContact CE-CG 3.56Å; M879-E910 WeakPolarHBondContact CE-OE1 3.3Å; M879-E910 HydrophobicContact CG-CB 3.77Å; M879-E910 HydrophobicContact CG-CG 3.9Å; M879-E910 VanDerWaalsContact SD-CA 3.58Å; M879-E910 HydrophobicContact SD-CB 4.35Å; M879-E910 HydrophobicContact SD-CG 4.46Å; M879-A913 HydrophobicContact CG-CB 4.09Å; M879-A913 HydrophobicContact SD-CB 3.19Å; M879-A913 WeakPolarHBondContact SD-CB 3.46Å
880	R	40.2	Very low	34.2	Very low	78 Å²	78	99.7 Å²	99.7	29%	0.294	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	3.7	-172	-91.8	-157.8	171.8	-172.8	2.4	111.4	D835 H838 R843 R887	D835-R880 IonicContact OD1-NH1 2.7Å; D835-R880 PolarHBondContact OD1-NH1 3.24Å; D835-R880 IonicContact OD2-CZ 3.25Å; D835-R880 IonicContact OD2-NH1 2.76Å; D835-R880 PolarHBondContact OD2-NH1 3.44Å; D835-R880 IonicContact OD2-NH2 3.79Å; H838-R880 PolarHBondContact NE2-O 3.34Å; R843-R880 HydrophobicContact CB-CB 3.47Å; R843-R880 VanDerWaalsContact CB-CB 3.47Å; R843-R880 WeakPolarHBondContact CB-O 3.37Å; R843-R880 WeakPolarHBondContact CD-O 3.37Å; R843-R880 HydrophobicContact CG-CB 3.45Å; R843-R880 VanDerWaalsContact CG-CB 3.45Å; R843-R880 HydrophobicContact CG-CG 4.02Å; R843-R880 WeakPolarHBondContact CG-O 3.49Å; R843-R880 VanDerWaalsContact CZ-CD 3.45Å; R843-R880 VanDerWaalsContact CZ-NE 3.26Å; R843-R880 VanDerWaalsContact NE-CD 3.33Å; R880-R887 PolarHBondContact O-NH2 3.45Å
881	L	40	Very low	34.3	Very low	43 Å²	43	97.1 Å²	97.1	23%	0.225	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7.6	-151.8	-103.4	175.7	0	0	0	120.7	N780 N841 K842 M879	N780-L881 VanDerWaalsContact ND2-CD1 3.28Å; N780-L881 WeakPolarHBondContact ND2-CD1 3.37Å; N780-L881 WeakPolarHBondContact ND2-CG 3.45Å; N780-L881 VanDerWaalsContact OD1-CD1 3.27Å; N780-L881 WeakPolarHBondContact OD1-CD1 3.48Å; N841-L881 WeakPolarHBondContact O-CD2 3.3Å; K842-L881 HydrophobicContact CB-CD1 3.64Å; K842-L881 HydrophobicContact CB-CD2 3.21Å; K842-L881 HydrophobicContact CB-CG 3.75Å; K842-L881 HydrophobicContact CD-CD1 3.52Å; K842-L881 HydrophobicContact CD-CD2 4.41Å; K842-L881 HydrophobicContact CG-CD1 3.63Å; K842-L881 HydrophobicContact CG-CD2 3.56Å; K842-L881 HydrophobicContact CG-CG 4.13Å; M879-L881 PolarHBondContact O-N 3.32Å
882	L	33.7	Very low	34.6	Very low	20 Å²	20	95.1 Å²	95.1	11%	0.105	53%	0.533	C	S	.	.			trans	-71.9	135	-175.1	-72.8	162.4	0	0	0	111.9	H838 M879 R884 V886 R887 A913 F982	H838-L882 PolarHBondContact CD2-O 3.1Å; H838-L882 PolarHBondContact NE2-O 2.73Å; M879-L882 HydrophobicContact SD-CD1 4.26Å; L882-R884 PolarHBondContact O-N 3.44Å; L882-V886 HydrophobicContact CB-CB 4.32Å; L882-V886 HydrophobicContact CB-CG1 4.37Å; L882-V886 HydrophobicContact CD1-CG1 4.41Å; L882-V886 HydrophobicContact CD2-CB 4.2Å; L882-V886 HydrophobicContact CD2-CG1 3.58Å; L882-V886 HydrophobicContact CG-CG1 4.33Å; L882-R887 HydrophobicContact CB-CG 4.26Å; L882-A913 HydrophobicContact CD1-CB 4.32Å; L882-F982 HydrophobicContact CD2-CE1 3.53Å; L882-F982 HydrophobicContact CD2-CZ 3.43Å; L882-F982 VanDerWaalsContact CD2-CZ 3.43Å; L882-F982 HydrophobicContact CG-CE1 4.16Å
883	P	33.4	Very low	35.1	Very low	58 Å²	58	94 Å²	94	38%	0.377	53%	0.527	S	S	.	.			trans	-49.1	140.3	166.2	-23.7	32.4	0	0	0	110.1	A885 V886	P883-A885 PolarHBondContact O-N 3.3Å; P883-V886 HydrophobicContact CB-CG2 4.35Å; P883-V886 HydrophobicContact CG-CG2 4.39Å; P883-V886 WeakPolarHBondContact O-CA 3.32Å; P883-V886 WeakPolarHBondContact O-CB 3.34Å; P883-V886 PolarHBondContact O-N 3.22Å
884	R	31.5	Very low	35.6	Very low	211 Å²	211	90.3 Å²	90.3	80%	0.796	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-55.5	-26.8	-177.6	-158.9	175.5	177.5	174.4	-1.6	112.9	L882 V886 R887 T888	L882-R884 PolarHBondContact O-N 3.44Å; R884-V886 VanDerWaalsContact C-N 3.31Å; R884-V886 PolarHBondContact O-N 2.97Å; R884-R887 PolarHBondContact O-N 2.96Å; R884-T888 PolarHBondContact O-OG1 3.11Å
885	A	34.8	Very low	36.2	Very low	66 Å²	66	88 Å²	88	55%	0.545	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-60.8	-34.1	171.9	0	0	0	0	0	113.7	P883 R887 L889	P883-A885 PolarHBondContact O-N 3.3Å; A885-R887 VanDerWaalsContact C-N 3.33Å; A885-L889 WeakPolarHBondContact O-CD1 3.48Å
886	V	39.1	Very low	36.7	Very low	26 Å²	26	87.2 Å²	87.2	16%	0.158	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-83.6	-8.4	178.4	-178	0	0	0	0	112	L882 P883 R884 E920	L882-V886 HydrophobicContact CB-CB 4.32Å; L882-V886 HydrophobicContact CB-CG1 4.37Å; L882-V886 HydrophobicContact CD1-CG1 4.41Å; L882-V886 HydrophobicContact CD2-CB 4.2Å; L882-V886 HydrophobicContact CD2-CG1 3.58Å; L882-V886 HydrophobicContact CG-CG1 4.33Å; P883-V886 HydrophobicContact CB-CG2 4.35Å; P883-V886 HydrophobicContact CG-CG2 4.39Å; P883-V886 WeakPolarHBondContact O-CA 3.32Å; P883-V886 WeakPolarHBondContact O-CB 3.34Å; P883-V886 PolarHBondContact O-N 3.22Å; R884-V886 VanDerWaalsContact C-N 3.31Å; R884-V886 PolarHBondContact O-N 2.97Å; V886-E920 WeakPolarHBondContact CG1-OE2 3.36Å
887	R	37.9	Very low	37.2	Very low	94 Å²	94	85.6 Å²	85.6	36%	0.355	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-96.4	-9.6	179.6	-88	-153.4	174.6	128.5	16.3	115.4	H838 R880 L882 R884 A885	H838-R887 PolarHBondContact CE1-NH1 3.45Å; H838-R887 PolarHBondContact NE2-NH1 3.28Å; R880-R887 PolarHBondContact O-NH2 3.45Å; L882-R887 HydrophobicContact CB-CG 4.26Å; R884-R887 PolarHBondContact O-N 2.96Å; A885-R887 VanDerWaalsContact C-N 3.33Å
888	T	34.4	Very low	37.9	Very low	108 Å²	108	81 Å²	81	66%	0.663	43%	0.431	S	S	*	.	S	Bend	trans	-126.4	8.4	-167.4	-12.6	0	0	0	0	112.7	R884	R884-T888 PolarHBondContact O-OG1 3.11Å
889	L	28.6	Very low	38.3	Very low	127 Å²	127	77.3 Å²	77.3	67%	0.665	42%	0.42	S	S	*	.	S	Bend	trans	-140.2	105.2	-174.1	-68.5	167.8	0	0	0	108.1	A885	A885-L889 WeakPolarHBondContact O-CD1 3.48Å
890	G	30.6	Very low	38.5	Very low	62 Å²	62	82.6 Å²	82.6	64%	0.639	44%	0.444	S	S	*	.			trans	138.8	0.5	166.4	0	0	0	0	0	119.5	D892	G890-D892 PolarHBondContact O-N 2.67Å
891	S	35.8	Very low	38.7	Very low	74 Å²	74	83.5 Å²	83.5	52%	0.517	46%	0.462	S	S	.	.	H	α-helix	trans	-64.4	-7.6	-169.7	-174.4	0	0	0	0	117.4	R895	S891-R895 PolarHBondContact OG-NH1 2.82Å
892	D	38.6	Very low	39	Very low	139 Å²	139	83.4 Å²	83.4	74%	0.743	47%	0.465	S	S	*	.	H	α-helix	trans	-96	-26.1	-169.9	-69.1	-20.2	0	0	0	114.5	G890	G890-D892 PolarHBondContact O-N 2.67Å
893	C	39.3	Very low	39.7	Very low	90 Å²	90	86.5 Å²	86.5	61%	0.608	48%	0.476	S	S	*	.	H	α-helix	trans	-84.5	-26.9	-178.1	-78.5	0	0	0	0	114.1	S896	C893-S896 PolarHBondContact O-OG 3.47Å
894	F	43.8	Very low	40.3	Very low	39 Å²	39	89.3 Å²	89.3	17%	0.171	49%	0.492	C	S	.	.	H	α-helix	trans	-79.5	-32.8	-179.7	-158.9	-94.5	0	0	0	112.2	S896 M897 V898 V912 M994	F894-S896 PolarHBondContact O-N 3.34Å; F894-M897 PolarHBondContact O-N 3.1Å; F894-V898 HydrophobicContact CD1-CG2 4.05Å; F894-V898 HydrophobicContact CE1-CB 4.28Å; F894-V898 HydrophobicContact CE1-CG2 3.44Å; F894-V898 VanDerWaalsContact CE1-CG2 3.44Å; F894-V898 HydrophobicContact CZ-CG2 3.67Å; F894-V898 PolarHBondContact O-N 2.79Å; F894-V912 HydrophobicContact CE1-CG1 4.29Å; F894-V912 HydrophobicContact CE1-CG2 4.26Å; F894-V912 HydrophobicContact CE2-CB 4.23Å; F894-V912 HydrophobicContact CE2-CG1 4.04Å; F894-V912 HydrophobicContact CE2-CG2 4.31Å; F894-V912 HydrophobicContact CZ-CB 4.13Å; F894-V912 HydrophobicContact CZ-CG1 3.57Å; F894-V912 HydrophobicContact CZ-CG2 4.1Å; F894-M994 HydrophobicContact CE2-CE 4.04Å; F894-M994 HydrophobicContact CE2-SD 4.14Å
895	R	44.9	Very low	41.2	Very low	153 Å²	153	85 Å²	85	58%	0.577	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-22	177.1	-98.6	-175	173.7	125.9	4.2	113.8	S891 E900	S891-R895 PolarHBondContact OG-NH1 2.82Å; R895-E900 IonicContact NE-OE1 3.62Å
896	S	46.1	Very low	42.2	Very low	83 Å²	83	84.7 Å²	84.7	58%	0.58	49%	0.488	S	S	*	.	H	α-helix	trans	-82.5	-26.8	178.9	66.1	0	0	0	0	113.5	C893 F894	C893-S896 PolarHBondContact O-OG 3.47Å; F894-S896 PolarHBondContact O-N 3.34Å
897	M	44.3	Very low	43.5	Very low	29 Å²	29	89 Å²	89	14%	0.143	50%	0.502	C	S	.	.	H	α-helix	trans	-89.4	-21.9	-178.3	-83.4	-172.3	168	0	0	113.8	F894 E950 V997	F894-M897 PolarHBondContact O-N 3.1Å; M897-E950 HydrophobicContact CE-CB 3.31Å; M897-E950 HydrophobicContact CE-CG 4.31Å; M897-E950 WeakPolarHBondContact CE-OE2 2.97Å; M897-V997 HydrophobicContact CB-CG1 4.49Å; M897-V997 HydrophobicContact SD-CG1 4.33Å
898	V	46.6	Very low	45.3	Very low	6 Å²	6	86.1 Å²	86.1	4%	0.036	49%	0.493	C	S	.	.	S	Bend	trans	-117.2	104.4	-175.6	-165	0	0	0	0	109	F894 E900	F894-V898 HydrophobicContact CD1-CG2 4.05Å; F894-V898 HydrophobicContact CE1-CB 4.28Å; F894-V898 HydrophobicContact CE1-CG2 3.44Å; F894-V898 VanDerWaalsContact CE1-CG2 3.44Å; F894-V898 HydrophobicContact CZ-CG2 3.67Å; F894-V898 PolarHBondContact O-N 2.79Å; V898-E900 PolarHBondContact O-N 3.42Å; V898-E900 VanDerWaalsContact O-N 3.14Å
899	D	45.4	Very low	47.5	Very low	93 Å²	93	87.3 Å²	87.3	50%	0.497	49%	0.491	S	S	.	.			trans	-46.8	117.5	171.8	-177.4	3.5	0	0	0	110.2	S901 S902	D899-S901 PolarHBondContact O-N 3.35Å; D899-S901 WeakPolarHBondContact OD1-CB 3.49Å; D899-S901 PolarHBondContact OD1-N 3.03Å; D899-S901 VanDerWaalsContact OD1-N 3.15Å; D899-S901 PolarHBondContact OD1-OG 3.4Å; D899-S901 VanDerWaalsContact OD1-OG 3.11Å; D899-S901 PolarHBondContact OD2-OG 2.83Å; D899-S902 PolarHBondContact O-N 2.9Å; D899-S902 PolarHBondContact O-OG 3.1Å
900	E	39.6	Very low	50.1	Low	136 Å²	136	84 Å²	84	64%	0.636	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-53.3	-24.3	179.2	-81.7	-172.1	156.7	0	0	112.2	R895 V898 S902	R895-E900 IonicContact NE-OE1 3.62Å; V898-E900 PolarHBondContact O-N 3.42Å; V898-E900 VanDerWaalsContact O-N 3.14Å; E900-S902 PolarHBondContact O-N 3.31Å
901	S	44.2	Very low	52.8	Low	96 Å²	96	82.9 Å²	82.9	67%	0.671	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-70.5	-15.9	177.2	81.4	0	0	0	0	114.2	D899	D899-S901 PolarHBondContact O-N 3.35Å; D899-S901 WeakPolarHBondContact OD1-CB 3.49Å; D899-S901 PolarHBondContact OD1-N 3.03Å; D899-S901 VanDerWaalsContact OD1-N 3.15Å; D899-S901 PolarHBondContact OD1-OG 3.4Å; D899-S901 VanDerWaalsContact OD1-OG 3.11Å; D899-S901 PolarHBondContact OD2-OG 2.83Å
902	S	46.4	Very low	55.5	Low	41 Å²	41	79.7 Å²	79.7	29%	0.287	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-94.2	2.1	-178.6	64.7	0	0	0	0	115.4	D899 E900 V904	D899-S902 PolarHBondContact O-N 2.9Å; D899-S902 PolarHBondContact O-OG 3.1Å; E900-S902 PolarHBondContact O-N 3.31Å; S902-V904 VanDerWaalsContact C-N 3.27Å; S902-V904 WeakPolarHBondContact O-CG2 3.42Å; S902-V904 PolarHBondContact O-N 3.29Å
903	Y	47.8	Very low	58	Low	85 Å²	85	73.4 Å²	73.4	33%	0.333	40%	0.396	S	S	.	.			trans	-69.2	78	173.4	-94	-94.4	0	0	0	111.2	N905 E908	Y903-N905 PolarHBondContact O-N 3.3Å; Y903-E908 HydrophobicContact CD1-CB 4.24Å; Y903-E908 HydrophobicContact CE1-CB 3.77Å
904	V	47	Very low	60.5	Low	117 Å²	117	69.1 Å²	69.1	71%	0.709	37%	0.367	S	S	*	.			trans	-74.3	-21.9	-174.2	-178.9	0	0	0	0	112.5	S902	S902-V904 VanDerWaalsContact C-N 3.27Å; S902-V904 WeakPolarHBondContact O-CG2 3.42Å; S902-V904 PolarHBondContact O-N 3.29Å
905	N	50.1	Low	62.9	Low	122 Å²	122	68.2 Å²	68.2	65%	0.652	36%	0.362	S	S	*	.	S	Bend	trans	-149.1	9.5	-169.8	-77.8	-49	0	0	0	119	Y903 Y907	Y903-N905 PolarHBondContact O-N 3.3Å; N905-Y907 HydrophobicContact CB-CD2 4.14Å; N905-Y907 WeakPolarHBondContact O-CD2 3.24Å; N905-Y907 WeakPolarHBondContact O-CE2 3.14Å; N905-Y907 PolarHBondContact O-N 3.43Å; N905-Y907 VanDerWaalsContact O-N 3.11Å
906	G	56.2	Low	65.1	Low	59 Å²	59	62.8 Å²	62.8	61%	0.608	35%	0.346	S	S	*	.	S	Bend	trans	65.9	13	173.5	0	0	0	0	0	116.4
907	Y	65.8	Low	67.3	Low	117 Å²	117	59.7 Å²	59.7	46%	0.459	32%	0.322	S	S	.	.			trans	-112.2	12.2	177.7	-61.4	-64.2	0	0	0	113.2	A876 N905 E910 L911	A876-Y907 HydrophobicContact CB-CD1 4.15Å; A876-Y907 HydrophobicContact CB-CE1 3.31Å; N905-Y907 HydrophobicContact CB-CD2 4.14Å; N905-Y907 WeakPolarHBondContact O-CD2 3.24Å; N905-Y907 WeakPolarHBondContact O-CE2 3.14Å; N905-Y907 PolarHBondContact O-N 3.43Å; N905-Y907 VanDerWaalsContact O-N 3.11Å; Y907-E910 VanDerWaalsContact C-OE2 3.31Å; Y907-E910 VanDerWaalsContact CA-OE2 3.23Å; Y907-E910 WeakPolarHBondContact CA-OE2 3.1Å; Y907-E910 WeakPolarHBondContact O-CB 3.44Å; Y907-E910 PolarHBondContact O-N 3.39Å; Y907-L911 PolarHBondContact O-N 2.79Å
908	E	75.2	Confident	69.5	Low	32 Å²	32	58.4 Å²	58.4	15%	0.15	32%	0.316	C	S	.	.	H	α-helix	trans	-77	-31.6	-172.6	-149.8	159.7	-151.3	0	0	111.8	Y903 E910 L911 V912 Y993	Y903-E908 HydrophobicContact CD1-CB 4.24Å; Y903-E908 HydrophobicContact CE1-CB 3.77Å; E908-E910 PolarHBondContact O-N 2.89Å; E908-L911 WeakPolarHBondContact O-CB 3.23Å; E908-L911 PolarHBondContact O-N 3.33Å; E908-L911 VanDerWaalsContact O-N 3.13Å; E908-V912 WeakPolarHBondContact O-CG2 3.31Å; E908-V912 PolarHBondContact O-N 3.37Å; E908-V912 VanDerWaalsContact O-N 3.13Å; E908-Y993 PolarHBondContact OE1-OH 3.02Å
909	E	80.8	Confident	71.4	Confident	133 Å²	133	60.1 Å²	60.1	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-58.7	-39.3	169.1	-67.6	-176.5	-175.2	0	0	111	M879 L911 A913	M879-E909 HydrophobicContact CE-CB 4.24Å; E909-L911 VanDerWaalsContact C-N 3.32Å; E909-L911 PolarHBondContact O-N 3.02Å; E909-A913 WeakPolarHBondContact O-CB 3.34Å; E909-A913 PolarHBondContact O-N 3.1Å; E909-A913 VanDerWaalsContact O-N 3.15Å
910	E	83.6	Confident	73.3	Confident	57 Å²	57	59 Å²	59	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-38.8	175.2	-67.2	54.9	-156.9	0	0	113.4	M879 Y907 E908	M879-E910 HydrophobicContact CB-CB 3.98Å; M879-E910 HydrophobicContact CB-CG 3.55Å; M879-E910 HydrophobicContact CE-CB 3.86Å; M879-E910 VanDerWaalsContact CE-CD 3.44Å; M879-E910 HydrophobicContact CE-CG 3.56Å; M879-E910 WeakPolarHBondContact CE-OE1 3.3Å; M879-E910 HydrophobicContact CG-CB 3.77Å; M879-E910 HydrophobicContact CG-CG 3.9Å; M879-E910 VanDerWaalsContact SD-CA 3.58Å; M879-E910 HydrophobicContact SD-CB 4.35Å; M879-E910 HydrophobicContact SD-CG 4.46Å; Y907-E910 VanDerWaalsContact C-OE2 3.31Å; Y907-E910 VanDerWaalsContact CA-OE2 3.23Å; Y907-E910 WeakPolarHBondContact CA-OE2 3.1Å; Y907-E910 WeakPolarHBondContact O-CB 3.44Å; Y907-E910 PolarHBondContact O-N 3.39Å; E908-E910 PolarHBondContact O-N 2.89Å
911	L	87.3	Confident	75.4	Confident	40 Å²	40	53.3 Å²	53.3	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-39.9	-178.2	179.8	60.6	0	0	0	111.6	Y907 E908 E909 N989 S990 Y993	Y907-L911 PolarHBondContact O-N 2.79Å; E908-L911 WeakPolarHBondContact O-CB 3.23Å; E908-L911 PolarHBondContact O-N 3.33Å; E908-L911 VanDerWaalsContact O-N 3.13Å; E909-L911 VanDerWaalsContact C-N 3.32Å; E909-L911 PolarHBondContact O-N 3.02Å; L911-N989 WeakPolarHBondContact CD1-ND2 3.29Å; L911-S990 WeakPolarHBondContact O-CB 3.5Å; L911-S990 PolarHBondContact O-OG 3.45Å; L911-Y993 HydrophobicContact CD2-CD1 3.85Å; L911-Y993 HydrophobicContact CD2-CD2 3.51Å; L911-Y993 HydrophobicContact CD2-CE1 4.04Å; L911-Y993 HydrophobicContact CD2-CE2 3.7Å; L911-Y993 HydrophobicContact CD2-CG 3.58Å; L911-Y993 HydrophobicContact CG-CD1 4.14Å; L911-Y993 HydrophobicContact CG-CD2 4.47Å; L911-Y993 HydrophobicContact CG-CG 4.07Å
912	V	91.7	Very high	76.8	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-95.7	-7.9	-172.4	-56	0	0	0	0	114.1	F894 E908 P914 Y915 V916 Y993 M994	F894-V912 HydrophobicContact CE1-CG1 4.29Å; F894-V912 HydrophobicContact CE1-CG2 4.26Å; F894-V912 HydrophobicContact CE2-CB 4.23Å; F894-V912 HydrophobicContact CE2-CG1 4.04Å; F894-V912 HydrophobicContact CE2-CG2 4.31Å; F894-V912 HydrophobicContact CZ-CB 4.13Å; F894-V912 HydrophobicContact CZ-CG1 3.57Å; F894-V912 HydrophobicContact CZ-CG2 4.1Å; E908-V912 WeakPolarHBondContact O-CG2 3.31Å; E908-V912 PolarHBondContact O-N 3.37Å; E908-V912 VanDerWaalsContact O-N 3.13Å; V912-P914 VanDerWaalsContact C-CD 3.48Å; V912-Y915 WeakPolarHBondContact O-CA 3.48Å; V912-Y915 WeakPolarHBondContact O-CB 3.43Å; V912-Y915 PolarHBondContact O-N 3.19Å; V912-V916 HydrophobicContact CB-CG2 4.49Å; V912-V916 HydrophobicContact CG2-CG2 4.07Å; V912-V916 WeakPolarHBondContact O-CG2 3.4Å; V912-V916 PolarHBondContact O-N 3.19Å; V912-Y993 HydrophobicContact CG1-CD1 3.93Å; V912-Y993 HydrophobicContact CG1-CE1 3.74Å; V912-M994 HydrophobicContact CG1-SD 4.09Å
913	A	91.2	Very high	78	Confident	7 Å²	7	53.4 Å²	53.4	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-53	-40.1	-178.9	0	0	0	0	0	115.6	M879 L882 E909 Y915 V916 Y917 F982	M879-A913 HydrophobicContact CG-CB 4.09Å; M879-A913 HydrophobicContact SD-CB 3.19Å; M879-A913 WeakPolarHBondContact SD-CB 3.46Å; L882-A913 HydrophobicContact CD1-CB 4.32Å; E909-A913 WeakPolarHBondContact O-CB 3.34Å; E909-A913 PolarHBondContact O-N 3.1Å; E909-A913 VanDerWaalsContact O-N 3.15Å; A913-Y915 VanDerWaalsContact C-N 3.34Å; A913-Y915 PolarHBondContact O-N 3.28Å; A913-V916 PolarHBondContact O-N 3.1Å; A913-Y917 WeakPolarHBondContact O-CB 3.33Å; A913-Y917 PolarHBondContact O-N 3.32Å; A913-F982 HydrophobicContact CB-CD1 4.34Å; A913-F982 HydrophobicContact CB-CE1 3.93Å
914	P	92.9	Very high	79	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-41.1	173.1	-23	33.5	0	0	0	113.2	V912 V918 M961 A978 F982 S986 T987	V912-P914 VanDerWaalsContact C-CD 3.48Å; P914-V918 PolarHBondContact O-N 3.36Å; P914-M961 HydrophobicContact CB-CE 3.55Å; P914-A978 HydrophobicContact CB-CB 4.42Å; P914-F982 HydrophobicContact CB-CB 4.3Å; P914-F982 HydrophobicContact CB-CD2 3.92Å; P914-F982 HydrophobicContact CB-CG 4.1Å; P914-F982 HydrophobicContact CG-CB 3.74Å; P914-F982 HydrophobicContact CG-CD1 4.2Å; P914-F982 HydrophobicContact CG-CD2 4.11Å; P914-F982 HydrophobicContact CG-CG 3.75Å; P914-S986 WeakPolarHBondContact CG-OG 3.42Å; P914-T987 HydrophobicContact CB-CG2 4.5Å
915	Y	94.1	Very high	80.3	Confident	19 Å²	19	52.3 Å²	52.3	8%	0.075	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-47.2	175.9	170	-94.4	0	0	0	112.1	V912 A913 Y917 V918 S919 T954 N957 M961 S990 M994	V912-Y915 WeakPolarHBondContact O-CA 3.48Å; V912-Y915 WeakPolarHBondContact O-CB 3.43Å; V912-Y915 PolarHBondContact O-N 3.19Å; A913-Y915 VanDerWaalsContact C-N 3.34Å; A913-Y915 PolarHBondContact O-N 3.28Å; Y915-Y917 VanDerWaalsContact C-N 3.27Å; Y915-Y917 PolarHBondContact O-N 3.35Å; Y915-V918 PolarHBondContact O-N 3.48Å; Y915-V918 VanDerWaalsContact O-N 3.11Å; Y915-S919 WeakPolarHBondContact O-CB 3.5Å; Y915-S919 PolarHBondContact O-N 2.96Å; Y915-T954 HydrophobicContact CE2-CG2 4.12Å; Y915-T954 VanDerWaalsContact OH-CA 3.29Å; Y915-T954 WeakPolarHBondContact OH-CA 3.32Å; Y915-T954 PolarHBondContact OH-OG1 2.68Å; Y915-N957 HydrophobicContact CD2-CB 4.02Å; Y915-N957 HydrophobicContact CE2-CB 3.61Å; Y915-M961 HydrophobicContact CD2-SD 4.4Å; Y915-S990 PolarHBondContact N-OG 2.78Å; Y915-M994 HydrophobicContact CD1-CE 3.85Å; Y915-M994 HydrophobicContact CD1-CG 4.14Å; Y915-M994 HydrophobicContact CD1-SD 4Å; Y915-M994 HydrophobicContact CD2-CB 4.17Å; Y915-M994 HydrophobicContact CD2-CE 4.3Å; Y915-M994 HydrophobicContact CD2-CG 3.58Å; Y915-M994 HydrophobicContact CD2-SD 4.45Å; Y915-M994 HydrophobicContact CE1-CE 3.66Å; Y915-M994 HydrophobicContact CE1-SD 4.41Å; Y915-M994 HydrophobicContact CE2-CB 4.46Å; Y915-M994 HydrophobicContact CE2-CE 4.08Å; Y915-M994 HydrophobicContact CE2-CG 4.16Å; Y915-M994 HydrophobicContact CG-CE 4.19Å; Y915-M994 HydrophobicContact CG-CG 3.56Å; Y915-M994 HydrophobicContact CG-SD 4.03Å
916	V	91.8	Very high	81.7	Confident	40 Å²	40	47 Å²	47	24%	0.242	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-46.1	178.1	173.1	0	0	0	0	109.9	V912 A913 V918 S919 E920	V912-V916 HydrophobicContact CB-CG2 4.49Å; V912-V916 HydrophobicContact CG2-CG2 4.07Å; V912-V916 WeakPolarHBondContact O-CG2 3.4Å; V912-V916 PolarHBondContact O-N 3.19Å; A913-V916 PolarHBondContact O-N 3.1Å; V916-V918 PolarHBondContact O-N 2.78Å; V916-S919 WeakPolarHBondContact CA-OG 3Å; V916-S919 PolarHBondContact O-N 3.21Å; V916-S919 VanDerWaalsContact O-N 3.17Å; V916-S919 PolarHBondContact O-OG 3.34Å; V916-E920 HydrophobicContact CG1-CG 4.47Å; V916-E920 VanDerWaalsContact CG1-OE1 3.26Å; V916-E920 WeakPolarHBondContact CG1-OE1 3.49Å; V916-E920 WeakPolarHBondContact O-CG 3.42Å; V916-E920 PolarHBondContact O-N 2.99Å
917	Y	91.9	Very high	82.8	Confident	18 Å²	18	46.4 Å²	46.4	7%	0.071	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-47	175.7	173.7	-104	0	0	0	113.5	A913 Y915 L921 P976 A978 M981 F982	A913-Y917 WeakPolarHBondContact O-CB 3.33Å; A913-Y917 PolarHBondContact O-N 3.32Å; Y915-Y917 VanDerWaalsContact C-N 3.27Å; Y915-Y917 PolarHBondContact O-N 3.35Å; Y917-L921 HydrophobicContact CE1-CD1 4.46Å; Y917-L921 WeakPolarHBondContact O-CG 3.33Å; Y917-P976 VanDerWaalsContact CE1-O 3.31Å; Y917-P976 WeakPolarHBondContact CE1-O 3.37Å; Y917-P976 PolarHBondContact OH-O 2.65Å; Y917-A978 HydrophobicContact CD1-CB 4.25Å; Y917-M981 HydrophobicContact CE1-CG 4.14Å; Y917-F982 VanDerWaalsContact CB-CE2 3.46Å; Y917-F982 AromaticContact CD1-CE2 3.76Å; Y917-F982 HydrophobicContact CD1-CE2 3.76Å; Y917-F982 HydrophobicContact CD2-CE2 4.24Å; Y917-F982 HydrophobicContact CD2-CZ 4.34Å; Y917-F982 AromaticContact CG-CE2 3.55Å; Y917-F982 HydrophobicContact CG-CE2 3.55Å; Y917-F982 AromaticContact CG-CZ 3.95Å; Y917-F982 HydrophobicContact CG-CZ 3.95Å
918	V	89.2	Confident	83.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-38	178.8	174.6	0	0	0	0	111.6	P914 Y915 V916 E920 L921 N957 I960 M961 A978	P914-V918 PolarHBondContact O-N 3.36Å; Y915-V918 PolarHBondContact O-N 3.48Å; Y915-V918 VanDerWaalsContact O-N 3.11Å; V916-V918 PolarHBondContact O-N 2.78Å; V918-E920 VanDerWaalsContact C-N 3.27Å; V918-E920 PolarHBondContact O-N 3.15Å; V918-L921 WeakPolarHBondContact O-CB 3.35Å; V918-L921 PolarHBondContact O-N 3.15Å; V918-N957 HydrophobicContact CG1-CB 4.22Å; V918-I960 HydrophobicContact CG1-CG2 3.96Å; V918-M961 HydrophobicContact CB-CG 4.34Å; V918-M961 HydrophobicContact CG2-CG 3.74Å; V918-M961 HydrophobicContact CG2-SD 4.29Å; V918-A978 HydrophobicContact CG2-CB 3.74Å
919	S	86.8	Confident	83.9	Confident	43 Å²	43	49.1 Å²	49.1	30%	0.301	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-29.3	-180	77.3	0	0	0	0	113	Y915 V916	Y915-S919 WeakPolarHBondContact O-CB 3.5Å; Y915-S919 PolarHBondContact O-N 2.96Å; V916-S919 WeakPolarHBondContact CA-OG 3Å; V916-S919 PolarHBondContact O-N 3.21Å; V916-S919 VanDerWaalsContact O-N 3.17Å; V916-S919 PolarHBondContact O-OG 3.34Å
920	E	86.3	Confident	83.9	Confident	70 Å²	70	43.1 Å²	43.1	33%	0.327	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-15	176.6	-73.4	176.3	-165.7	0	0	113.5	V886 V916 V918	V886-E920 WeakPolarHBondContact CG1-OE2 3.36Å; V916-E920 HydrophobicContact CG1-CG 4.47Å; V916-E920 VanDerWaalsContact CG1-OE1 3.26Å; V916-E920 WeakPolarHBondContact CG1-OE1 3.49Å; V916-E920 WeakPolarHBondContact O-CG 3.42Å; V916-E920 PolarHBondContact O-N 2.99Å; V918-E920 VanDerWaalsContact C-N 3.27Å; V918-E920 PolarHBondContact O-N 3.15Å
921	L	82.4	Confident	84	Confident	16 Å²	16	40.5 Å²	40.5	8%	0.084	21%	0.205	C	C	.	.	S	Bend	trans	-68.3	133	177.6	-63.3	178.8	0	0	0	110.4	Y917 V918 A923 R973 K975	Y917-L921 HydrophobicContact CE1-CD1 4.46Å; Y917-L921 WeakPolarHBondContact O-CG 3.33Å; V918-L921 WeakPolarHBondContact O-CB 3.35Å; V918-L921 PolarHBondContact O-N 3.15Å; L921-A923 PolarHBondContact O-N 2.79Å; L921-A923 VanDerWaalsContact O-N 3.09Å; L921-R973 HydrophobicContact CB-CB 4.48Å; L921-R973 PolarHBondContact O-NH1 3.39Å; L921-K975 HydrophobicContact CD2-CB 3.79Å; L921-K975 HydrophobicContact CD2-CG 3.61Å
922	P	75	Confident	83.8	Confident	107 Å²	107	42.9 Å²	42.9	70%	0.695	22%	0.215	S	C	*	.			trans	-59.4	116.4	-176.6	21.2	-31.2	0	0	0	111.9	R973	P922-R973 VanDerWaalsContact O-CD 3.24Å; P922-R973 WeakPolarHBondContact O-CD 3.42Å
923	A	70.2	Confident	83.2	Confident	32 Å²	32	42.7 Å²	42.7	26%	0.264	21%	0.214	S	C	.	.			trans	-109.7	155.3	-178.4	0	0	0	0	0	111.9	L921 Q925 R973	L921-A923 PolarHBondContact O-N 2.79Å; L921-A923 VanDerWaalsContact O-N 3.09Å; A923-Q925 PolarHBondContact O-N 2.87Å; A923-R973 VanDerWaalsContact CB-CZ 3.4Å
924	K	69.6	Low	82.8	Confident	96 Å²	96	42.5 Å²	42.5	42%	0.417	21%	0.212	S	C	.	.			trans	-68.1	-8.7	172.4	-64.9	179.1	-178.2	174.8	0	113.9	V926 Y1117 F1236	K924-V926 HydrophobicContact CB-CG2 3.91Å; K924-V926 PolarHBondContact O-N 3.49Å; K924-V926 VanDerWaalsContact O-N 3.16Å; K924-Y1117 PolarHBondContact NZ-OH 2.84Å; K924-F1236 HydrophobicContact CB-CD1 4.4Å; K924-F1236 HydrophobicContact CB-CE1 4.21Å; K924-F1236 HydrophobicContact CD-CD1 4.21Å
925	Q	74.9	Confident	82.4	Confident	82 Å²	82	43.6 Å²	43.6	38%	0.383	22%	0.218	S	C	.	.			trans	52.2	34	-179.5	-59	-62.4	-16.1	0	0	114.4	A923 R927 K928 R929	A923-Q925 PolarHBondContact O-N 2.87Å; Q925-R927 PolarHBondContact O-N 2.81Å; Q925-K928 HydrophobicContact CB-CB 4.49Å; Q925-K928 PolarHBondContact O-N 3.3Å; Q925-R929 PolarHBondContact O-N 3.11Å; Q925-R929 VanDerWaalsContact O-N 3.11Å
926	V	77.9	Confident	81.6	Confident	12 Å²	12	44.7 Å²	44.7	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-48.3	-174.5	177.7	0	0	0	0	111.7	K924 R929 L930 F1074 F1102 F1236	K924-V926 HydrophobicContact CB-CG2 3.91Å; K924-V926 PolarHBondContact O-N 3.49Å; K924-V926 VanDerWaalsContact O-N 3.16Å; V926-R929 PolarHBondContact O-N 3.43Å; V926-L930 WeakPolarHBondContact O-CB 3.46Å; V926-L930 PolarHBondContact O-N 2.96Å; V926-F1074 HydrophobicContact CG1-CZ 4.45Å; V926-F1102 HydrophobicContact CB-CE2 4.45Å; V926-F1102 HydrophobicContact CG1-CD2 4.41Å; V926-F1102 HydrophobicContact CG1-CE2 3.83Å; V926-F1102 HydrophobicContact CG1-CZ 4.43Å; V926-F1102 HydrophobicContact CG2-CE2 3.92Å; V926-F1102 HydrophobicContact CG2-CZ 4.14Å; V926-F1236 HydrophobicContact CB-CE1 4.11Å; V926-F1236 HydrophobicContact CB-CZ 3.81Å; V926-F1236 HydrophobicContact CG1-CE1 4.39Å; V926-F1236 HydrophobicContact CG1-CE2 4.06Å; V926-F1236 HydrophobicContact CG1-CZ 3.66Å; V926-F1236 HydrophobicContact CG2-CD1 4.05Å; V926-F1236 HydrophobicContact CG2-CE1 3.26Å; V926-F1236 HydrophobicContact CG2-CE2 4.28Å; V926-F1236 HydrophobicContact CG2-CZ 3.42Å; V926-F1236 VanDerWaalsContact CG2-CZ 3.42Å
927	R	79.8	Confident	80.7	Confident	46 Å²	46	43.9 Å²	43.9	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-40.8	-176.9	-71.3	179.2	-154.1	76.5	7.4	113.2	Q925 R929 L930 I931 V952 H956 L1073 F1074	Q925-R927 PolarHBondContact O-N 2.81Å; R927-R929 VanDerWaalsContact C-N 3.35Å; R927-L930 WeakPolarHBondContact O-CB 3.47Å; R927-L930 PolarHBondContact O-N 3.13Å; R927-I931 WeakPolarHBondContact O-CG1 3.44Å; R927-I931 PolarHBondContact O-N 3.39Å; R927-V952 HydrophobicContact CB-CG1 3.98Å; R927-V952 HydrophobicContact CG-CG1 4.26Å; R927-H956 PolarHBondContact NH1-CD2 3.07Å; R927-H956 PolarHBondContact NH1-CE1 2.71Å; R927-H956 PolarHBondContact NH1-ND1 3.07Å; R927-H956 PolarHBondContact NH1-NE2 3.45Å; R927-H956 PolarHBondContact NH2-CE1 2.88Å; R927-H956 PolarHBondContact NH2-ND1 2.78Å; R927-H956 PolarHBondContact NH2-NE2 3.39Å; R927-L1073 VanDerWaalsContact NE-CD2 3.35Å; R927-F1074 HydrophobicContact CG-CD1 4.01Å; R927-F1074 HydrophobicContact CG-CE1 3.67Å
928	K	82.8	Confident	80.2	Confident	101 Å²	101	43.1 Å²	43.1	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-47.6	175.1	178.5	173.6	172.8	172.7	0	110.4	Q925 L930 I931 E932	Q925-K928 HydrophobicContact CB-CB 4.49Å; Q925-K928 PolarHBondContact O-N 3.3Å; K928-L930 VanDerWaalsContact C-N 3.29Å; K928-L930 PolarHBondContact O-N 2.78Å; K928-I931 PolarHBondContact O-N 2.94Å; K928-E932 WeakPolarHBondContact CE-OE1 3.33Å; K928-E932 HydrophobicContact CG-CG 4.44Å; K928-E932 IonicContact NZ-OE1 2.69Å; K928-E932 WeakPolarHBondContact O-CB 3.48Å; K928-E932 VanDerWaalsContact O-CG 3.3Å; K928-E932 WeakPolarHBondContact O-CG 3.28Å; K928-E932 PolarHBondContact O-N 2.97Å
929	R	82	Confident	80	Confident	105 Å²	105	50.1 Å²	50.1	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-35.4	176.1	-68.2	-174.7	176.4	-179.1	-0.4	112.8	Q925 V926 R927 A933 T1232 S1235	Q925-R929 PolarHBondContact O-N 3.11Å; Q925-R929 VanDerWaalsContact O-N 3.11Å; V926-R929 PolarHBondContact O-N 3.43Å; R927-R929 VanDerWaalsContact C-N 3.35Å; R929-A933 VanDerWaalsContact O-CB 3.24Å; R929-A933 WeakPolarHBondContact O-CB 3.48Å; R929-A933 PolarHBondContact O-N 3.07Å; R929-T1232 HydrophobicContact CB-CG2 3.59Å; R929-T1232 HydrophobicContact CG-CG2 4.47Å; R929-S1235 PolarHBondContact NH1-OG 3.5Å
930	L	80.9	Confident	80	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-50.3	174.4	-170.2	71.8	0	0	0	110.7	V926 R927 K928 E932 A933 F934 F1074 F1098	V926-L930 WeakPolarHBondContact O-CB 3.46Å; V926-L930 PolarHBondContact O-N 2.96Å; R927-L930 WeakPolarHBondContact O-CB 3.47Å; R927-L930 PolarHBondContact O-N 3.13Å; K928-L930 VanDerWaalsContact C-N 3.29Å; K928-L930 PolarHBondContact O-N 2.78Å; L930-E932 PolarHBondContact O-N 3.07Å; L930-A933 WeakPolarHBondContact O-CB 3.27Å; L930-A933 PolarHBondContact O-N 3.25Å; L930-F934 HydrophobicContact CD1-CD2 4.08Å; L930-F934 HydrophobicContact CD1-CE2 3.75Å; L930-F934 HydrophobicContact CG-CD2 4Å; L930-F934 HydrophobicContact CG-CE2 4.03Å; L930-F934 WeakPolarHBondContact O-CD2 3.42Å; L930-F934 PolarHBondContact O-N 2.96Å; L930-F1074 HydrophobicContact CD2-CB 4.04Å; L930-F1074 HydrophobicContact CD2-CD1 3.65Å; L930-F1074 HydrophobicContact CD2-CE1 4.23Å; L930-F1074 HydrophobicContact CD2-CG 3.87Å; L930-F1098 HydrophobicContact CD1-CD1 4.35Å; L930-F1098 HydrophobicContact CD1-CE1 4.06Å; L930-F1098 HydrophobicContact CD1-CZ 4.36Å; L930-F1098 HydrophobicContact CD2-CE1 4.47Å
931	I	84.5	Confident	80.1	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-46	177.2	-67.4	163.3	0	0	0	110.6	R927 K928 A933 F934 N935 L945 I948 V952	R927-I931 WeakPolarHBondContact O-CG1 3.44Å; R927-I931 PolarHBondContact O-N 3.39Å; K928-I931 PolarHBondContact O-N 2.94Å; I931-A933 VanDerWaalsContact C-N 3.32Å; I931-A933 PolarHBondContact O-N 3.12Å; I931-F934 PolarHBondContact O-N 2.88Å; I931-N935 WeakPolarHBondContact O-CB 3.46Å; I931-N935 PolarHBondContact O-N 3.43Å; I931-L945 HydrophobicContact CG2-CD1 3.47Å; I931-L945 VanDerWaalsContact CG2-CD1 3.47Å; I931-L945 HydrophobicContact CG2-CG 4.02Å; I931-I948 HydrophobicContact CD1-CG2 4.48Å; I931-V952 HydrophobicContact CD1-CB 4.18Å; I931-V952 HydrophobicContact CD1-CG1 4.29Å; I931-V952 HydrophobicContact CD1-CG2 4.09Å
932	E	83.7	Confident	80.4	Confident	90 Å²	90	52.8 Å²	52.8	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-37.7	176.3	-72.7	170.4	171	0	0	112.4	K928 L930 N935	K928-E932 WeakPolarHBondContact CE-OE1 3.33Å; K928-E932 HydrophobicContact CG-CG 4.44Å; K928-E932 IonicContact NZ-OE1 2.69Å; K928-E932 WeakPolarHBondContact O-CB 3.48Å; K928-E932 VanDerWaalsContact O-CG 3.3Å; K928-E932 WeakPolarHBondContact O-CG 3.28Å; K928-E932 PolarHBondContact O-N 2.97Å; L930-E932 PolarHBondContact O-N 3.07Å; E932-N935 PolarHBondContact O-N 2.91Å
933	A	79.6	Confident	81	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-49.5	175	0	0	0	0	0	110.7	R929 L930 I931 N935 V936 W937 I1229	R929-A933 VanDerWaalsContact O-CB 3.24Å; R929-A933 WeakPolarHBondContact O-CB 3.48Å; R929-A933 PolarHBondContact O-N 3.07Å; L930-A933 WeakPolarHBondContact O-CB 3.27Å; L930-A933 PolarHBondContact O-N 3.25Å; I931-A933 VanDerWaalsContact C-N 3.32Å; I931-A933 PolarHBondContact O-N 3.12Å; A933-N935 VanDerWaalsContact C-N 3.27Å; A933-N935 PolarHBondContact O-N 3.31Å; A933-V936 WeakPolarHBondContact O-CB 3.48Å; A933-V936 WeakPolarHBondContact O-CG2 3.05Å; A933-V936 PolarHBondContact O-N 2.65Å; A933-W937 VanDerWaalsContact O-CH2 3.28Å; A933-W937 WeakPolarHBondContact O-CH2 3.21Å; A933-W937 WeakPolarHBondContact O-CZ3 3.17Å; A933-I1229 HydrophobicContact CB-CG1 4.21Å
934	F	81.9	Confident	81.9	Confident	3 Å²	3	55.6 Å²	55.6	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-31.4	176.6	-84.7	-81.1	0	0	0	112.9	L930 I931 V936 W937 L938 V1078 Y1091 L1094 V1095 F1225 I1229	L930-F934 HydrophobicContact CD1-CD2 4.08Å; L930-F934 HydrophobicContact CD1-CE2 3.75Å; L930-F934 HydrophobicContact CG-CD2 4Å; L930-F934 HydrophobicContact CG-CE2 4.03Å; L930-F934 WeakPolarHBondContact O-CD2 3.42Å; L930-F934 PolarHBondContact O-N 2.96Å; I931-F934 PolarHBondContact O-N 2.88Å; F934-V936 PolarHBondContact O-N 3.21Å; F934-V936 VanDerWaalsContact O-N 3.1Å; F934-W937 HydrophobicContact CD1-CE3 4.11Å; F934-W937 HydrophobicContact CD1-CZ3 4.35Å; F934-W937 PolarHBondContact O-N 2.8Å; F934-L938 HydrophobicContact CB-CD1 4.12Å; F934-L938 WeakPolarHBondContact O-CG 3.46Å; F934-L938 PolarHBondContact O-N 3.17Å; F934-V1078 HydrophobicContact CD1-CG1 4.23Å; F934-V1078 HydrophobicContact CD1-CG2 4.35Å; F934-V1078 HydrophobicContact CD2-CG2 3.73Å; F934-V1078 HydrophobicContact CE1-CG1 4.44Å; F934-V1078 HydrophobicContact CE1-CG2 4.45Å; F934-V1078 HydrophobicContact CE2-CG2 3.84Å; F934-V1078 HydrophobicContact CG-CG2 4Å; F934-V1078 HydrophobicContact CZ-CG2 4.21Å; F934-Y1091 HydrophobicContact CD1-CD2 4.32Å; F934-Y1091 HydrophobicContact CD1-CG 4.3Å; F934-Y1091 AromaticContact CE1-CD1 3.88Å; F934-Y1091 HydrophobicContact CE1-CD1 3.88Å; F934-Y1091 HydrophobicContact CE1-CD2 4.2Å; F934-Y1091 HydrophobicContact CE1-CE1 4.46Å; F934-Y1091 AromaticContact CE1-CG 3.74Å; F934-Y1091 HydrophobicContact CE1-CG 3.74Å; F934-L1094 HydrophobicContact CZ-CD2 4.31Å; F934-V1095 HydrophobicContact CE2-CG2 4.23Å; F934-V1095 HydrophobicContact CZ-CG2 3.82Å; F934-F1225 HydrophobicContact CE1-CE2 4.38Å; F934-F1225 HydrophobicContact CE1-CZ 4.16Å; F934-F1225 HydrophobicContact CZ-CZ 4.33Å; F934-I1229 HydrophobicContact CE2-CD1 4.33Å
935	N	85.2	Confident	82.9	Confident	22 Å²	22	51.8 Å²	51.8	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-15.8	179.2	-157.8	47	0	0	0	114	I931 E932 A933 W937 Q939 V940 L945	I931-N935 WeakPolarHBondContact O-CB 3.46Å; I931-N935 PolarHBondContact O-N 3.43Å; E932-N935 PolarHBondContact O-N 2.91Å; A933-N935 VanDerWaalsContact C-N 3.27Å; A933-N935 PolarHBondContact O-N 3.31Å; N935-W937 PolarHBondContact O-N 2.95Å; N935-Q939 WeakPolarHBondContact O-CA 3.05Å; N935-Q939 PolarHBondContact O-N 3.33Å; N935-V940 PolarHBondContact ND2-O 2.7Å; N935-V940 WeakPolarHBondContact OD1-CA 3.42Å; N935-V940 VanDerWaalsContact OD1-CB 3.22Å; N935-V940 WeakPolarHBondContact OD1-CB 3.43Å; N935-V940 PolarHBondContact OD1-N 3.42Å; N935-L945 HydrophobicContact CB-CD1 3.79Å; N935-L945 HydrophobicContact CB-CD2 3.94Å; N935-L945 WeakPolarHBondContact ND2-CD2 3.46Å
936	V	77.5	Confident	83.6	Confident	42 Å²	42	55.6 Å²	55.6	26%	0.255	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-37.5	170.7	-175.5	0	0	0	0	111.1	A933 F934	A933-V936 WeakPolarHBondContact O-CB 3.48Å; A933-V936 WeakPolarHBondContact O-CG2 3.05Å; A933-V936 PolarHBondContact O-N 2.65Å; F934-V936 PolarHBondContact O-N 3.21Å; F934-V936 VanDerWaalsContact O-N 3.1Å
937	W	71.9	Confident	84.1	Confident	24 Å²	24	56.8 Å²	56.8	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-92.1	-34.5	175.8	-54.7	-73.3	0	0	0	113.1	A933 F934 N935 F1221 F1225	A933-W937 VanDerWaalsContact O-CH2 3.28Å; A933-W937 WeakPolarHBondContact O-CH2 3.21Å; A933-W937 WeakPolarHBondContact O-CZ3 3.17Å; F934-W937 HydrophobicContact CD1-CE3 4.11Å; F934-W937 HydrophobicContact CD1-CZ3 4.35Å; F934-W937 PolarHBondContact O-N 2.8Å; N935-W937 PolarHBondContact O-N 2.95Å; W937-F1221 AromaticContact CD1-CD1 3.82Å; W937-F1221 AromaticContact CD1-CE1 3.56Å; W937-F1221 AromaticContact NE1-CD1 3.72Å; W937-F1221 AromaticContact NE1-CE1 3.73Å; W937-F1225 AromaticContact CD2-CD2 3.34Å; W937-F1225 HydrophobicContact CD2-CD2 3.34Å; W937-F1225 AromaticContact CD2-CE2 3.58Å; W937-F1225 HydrophobicContact CD2-CE2 3.58Å; W937-F1225 HydrophobicContact CD2-CG 4.41Å; W937-F1225 AromaticContact CE2-CD2 3.04Å; W937-F1225 AromaticContact CE2-CE2 3.79Å; W937-F1225 AromaticContact CE2-CG 3.76Å; W937-F1225 AromaticContact CE3-CD2 3.35Å; W937-F1225 HydrophobicContact CE3-CD2 3.35Å; W937-F1225 AromaticContact CE3-CE2 3.11Å; W937-F1225 HydrophobicContact CE3-CE2 3.11Å; W937-F1225 HydrophobicContact CE3-CG 4.41Å; W937-F1225 HydrophobicContact CE3-CZ 4.14Å; W937-F1225 HydrophobicContact CG-CD2 4.36Å; W937-F1225 HydrophobicContact CH2-CB 3.59Å; W937-F1225 AromaticContact CH2-CD1 3.98Å; W937-F1225 HydrophobicContact CH2-CD1 3.98Å; W937-F1225 AromaticContact CH2-CD2 2.92Å; W937-F1225 HydrophobicContact CH2-CD2 2.92Å; W937-F1225 HydrophobicContact CH2-CE1 4.33Å; W937-F1225 AromaticContact CH2-CE2 3.31Å; W937-F1225 HydrophobicContact CH2-CE2 3.31Å; W937-F1225 AromaticContact CH2-CG 3.18Å; W937-F1225 HydrophobicContact CH2-CG 3.18Å; W937-F1225 AromaticContact CH2-CZ 3.97Å; W937-F1225 HydrophobicContact CH2-CZ 3.97Å; W937-F1225 HydrophobicContact CZ2-CB 3.12Å; W937-F1225 HydrophobicContact CZ2-CD1 4.37Å; W937-F1225 AromaticContact CZ2-CD2 2.93Å; W937-F1225 HydrophobicContact CZ2-CD2 2.93Å; W937-F1225 AromaticContact CZ2-CE2 3.77Å; W937-F1225 HydrophobicContact CZ2-CE2 3.77Å; W937-F1225 AromaticContact CZ2-CG 3.2Å; W937-F1225 HydrophobicContact CZ2-CG 3.2Å; W937-F1225 HydrophobicContact CZ3-CD1 4.46Å; W937-F1225 AromaticContact CZ3-CD2 3.11Å; W937-F1225 HydrophobicContact CZ3-CD2 3.11Å; W937-F1225 HydrophobicContact CZ3-CE1 4.38Å; W937-F1225 AromaticContact CZ3-CE2 2.91Å; W937-F1225 HydrophobicContact CZ3-CE2 2.91Å; W937-F1225 AromaticContact CZ3-CG 3.81Å; W937-F1225 HydrophobicContact CZ3-CG 3.81Å; W937-F1225 AromaticContact CZ3-CZ 3.6Å; W937-F1225 HydrophobicContact CZ3-CZ 3.6Å; W937-F1225 AromaticContact NE1-CD2 3.7Å
938	L	82.1	Confident	84.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-81.5	-21.3	-173.7	-62	-177.6	0	0	0	113	F934 V940 V1078 T1081 Q1082 S1085 N1087 Y1091	F934-L938 HydrophobicContact CB-CD1 4.12Å; F934-L938 WeakPolarHBondContact O-CG 3.46Å; F934-L938 PolarHBondContact O-N 3.17Å; L938-V940 HydrophobicContact CB-CG2 4.15Å; L938-V940 PolarHBondContact O-N 2.97Å; L938-V1078 HydrophobicContact CD1-CG1 4.45Å; L938-T1081 HydrophobicContact CB-CG2 4.05Å; L938-T1081 HydrophobicContact CD1-CG2 3.5Å; L938-T1081 HydrophobicContact CG-CG2 4.43Å; L938-Q1082 HydrophobicContact CD1-CG 3.72Å; L938-Q1082 HydrophobicContact CD2-CG 3.62Å; L938-Q1082 HydrophobicContact CG-CG 4.34Å; L938-S1085 VanDerWaalsContact CA-OG 3.3Å; L938-S1085 WeakPolarHBondContact CA-OG 3.47Å; L938-S1085 WeakPolarHBondContact CD2-OG 3.23Å; L938-S1085 WeakPolarHBondContact O-CA 3.24Å; L938-S1085 WeakPolarHBondContact O-CB 3.48Å; L938-S1085 PolarHBondContact O-OG 2.94Å; L938-N1087 HydrophobicContact CD2-CB 4.15Å; L938-Y1091 HydrophobicContact CD2-CE2 3.91Å
939	Q	86	Confident	84.8	Confident	149 Å²	149	50.7 Å²	50.7	70%	0.696	24%	0.243	S	C	*	.			trans	48.2	39.4	173.5	-58.4	-174.9	7.9	0	0	113.8	N935	N935-Q939 WeakPolarHBondContact O-CA 3.05Å; N935-Q939 PolarHBondContact O-N 3.33Å
940	V	85.8	Confident	85.1	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.024	24%	0.239	C	C	.	.			trans	-74.7	139	177.9	177.8	0	0	0	0	109.5	N935 L938 D942 K944 L945 T1081 F1084	N935-V940 PolarHBondContact ND2-O 2.7Å; N935-V940 WeakPolarHBondContact OD1-CA 3.42Å; N935-V940 VanDerWaalsContact OD1-CB 3.22Å; N935-V940 WeakPolarHBondContact OD1-CB 3.43Å; N935-V940 PolarHBondContact OD1-N 3.42Å; L938-V940 HydrophobicContact CB-CG2 4.15Å; L938-V940 PolarHBondContact O-N 2.97Å; V940-D942 PolarHBondContact O-N 2.76Å; V940-K944 HydrophobicContact CG1-CB 3.8Å; V940-L945 HydrophobicContact CB-CD1 4.37Å; V940-T1081 HydrophobicContact CB-CG2 4.23Å; V940-T1081 HydrophobicContact CG2-CG2 3.54Å; V940-T1081 WeakPolarHBondContact CG2-O 3.47Å; V940-F1084 HydrophobicContact CB-CB 4.41Å; V940-F1084 HydrophobicContact CG1-CB 3.61Å; V940-F1084 HydrophobicContact CG1-CG 4.45Å; V940-F1084 HydrophobicContact CG2-CB 4.03Å
941	P	88.4	Confident	85.5	Confident	78 Å²	78	48.6 Å²	48.6	51%	0.506	24%	0.238	S	C	.	.			trans	-53.4	135.8	174.9	-27.4	34.8	0	0	0	112.6	E943 K944 L945	P941-E943 PolarHBondContact O-N 3.29Å; P941-K944 PolarHBondContact O-N 3.22Å; P941-L945 PolarHBondContact O-N 2.53Å
942	D	88.5	Confident	85.6	Confident	102 Å²	102	48.5 Å²	48.5	55%	0.545	24%	0.237	S	C	.	.	H	α-helix	trans	-52.5	-34.9	-176	-75.8	-14.3	0	0	0	113.7	V940 L945 R946	V940-D942 PolarHBondContact O-N 2.76Å; D942-L945 PolarHBondContact O-N 3.49Å; D942-R946 WeakPolarHBondContact O-CB 3.43Å; D942-R946 WeakPolarHBondContact O-CG 3.37Å; D942-R946 PolarHBondContact O-N 2.73Å
943	E	88.6	Confident	85.9	Confident	141 Å²	141	46.5 Å²	46.5	66%	0.659	23%	0.23	S	C	*	.	H	α-helix	trans	-60.9	-51.2	177.2	-172.1	-172.6	161.1	0	0	111.3	P941 R946 T947	P941-E943 PolarHBondContact O-N 3.29Å; E943-R946 PolarHBondContact O-N 3.01Å; E943-T947 PolarHBondContact O-N 3.03Å; E943-T947 PolarHBondContact O-OG1 2.8Å
944	K	88.4	Confident	86.4	Confident	58 Å²	58	46.5 Å²	46.5	25%	0.252	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-39.5	178	-62.5	-64.3	179.2	-177.3	0	111	V940 P941 R946 T947 I948 L1005 F1084	V940-K944 HydrophobicContact CG1-CB 3.8Å; P941-K944 PolarHBondContact O-N 3.22Å; K944-R946 VanDerWaalsContact C-N 3.32Å; K944-R946 PolarHBondContact O-N 3.25Å; K944-T947 PolarHBondContact O-N 3.01Å; K944-I948 WeakPolarHBondContact O-CD1 2.73Å; K944-I948 VanDerWaalsContact O-CG1 3.24Å; K944-I948 WeakPolarHBondContact O-CG1 2.74Å; K944-I948 PolarHBondContact O-N 2.92Å; K944-L1005 HydrophobicContact CD-CD2 4.14Å; K944-L1005 PolarHBondContact NZ-O 3.31Å; K944-F1084 HydrophobicContact CB-CG 4.41Å; K944-F1084 HydrophobicContact CD-CD1 4.33Å; K944-F1084 HydrophobicContact CD-CE1 4.16Å; K944-F1084 HydrophobicContact CG-CD1 4.19Å; K944-F1084 HydrophobicContact CG-CG 4.48Å
945	L	89.5	Confident	86.7	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-41.1	177.6	-164.3	76.4	0	0	0	112	I931 N935 V940 P941 D942 I948 C949 T1081	I931-L945 HydrophobicContact CG2-CD1 3.47Å; I931-L945 VanDerWaalsContact CG2-CD1 3.47Å; I931-L945 HydrophobicContact CG2-CG 4.02Å; N935-L945 HydrophobicContact CB-CD1 3.79Å; N935-L945 HydrophobicContact CB-CD2 3.94Å; N935-L945 WeakPolarHBondContact ND2-CD2 3.46Å; V940-L945 HydrophobicContact CB-CD1 4.37Å; P941-L945 PolarHBondContact O-N 2.53Å; D942-L945 PolarHBondContact O-N 3.49Å; L945-I948 PolarHBondContact O-N 2.88Å; L945-C949 WeakPolarHBondContact O-CB 3.33Å; L945-C949 PolarHBondContact O-N 2.92Å; L945-C949 PolarHBondContact O-SG 2.71Å; L945-T1081 HydrophobicContact CD1-CG2 3.8Å
946	R	89.8	Confident	86.8	Confident	161 Å²	161	46.5 Å²	46.5	61%	0.608	23%	0.229	S	C	*	.	H	α-helix	trans	-61.5	-48.9	175.3	-75	173	-151.2	167.8	7.5	111	D942 E943 K944 I948 C949 E950	D942-R946 WeakPolarHBondContact O-CB 3.43Å; D942-R946 WeakPolarHBondContact O-CG 3.37Å; D942-R946 PolarHBondContact O-N 2.73Å; E943-R946 PolarHBondContact O-N 3.01Å; K944-R946 VanDerWaalsContact C-N 3.32Å; K944-R946 PolarHBondContact O-N 3.25Å; R946-I948 VanDerWaalsContact C-N 3.32Å; R946-I948 PolarHBondContact O-N 2.85Å; R946-C949 WeakPolarHBondContact O-CB 3.35Å; R946-C949 PolarHBondContact O-N 2.89Å; R946-E950 WeakPolarHBondContact O-CG 3.42Å; R946-E950 PolarHBondContact O-N 2.82Å
947	T	88.5	Confident	87.5	Confident	37 Å²	37	44.7 Å²	44.7	23%	0.227	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-41.8	177.9	-50.2	0	0	0	0	111.6	E943 K944 E950 I951 L1005	E943-T947 PolarHBondContact O-N 3.03Å; E943-T947 PolarHBondContact O-OG1 2.8Å; K944-T947 PolarHBondContact O-N 3.01Å; T947-E950 PolarHBondContact O-N 3.27Å; T947-I951 HydrophobicContact CG2-CD1 3.97Å; T947-I951 WeakPolarHBondContact O-CD1 3.39Å; T947-I951 VanDerWaalsContact O-CG1 3.26Å; T947-I951 WeakPolarHBondContact O-CG1 3.25Å; T947-I951 PolarHBondContact O-N 3.36Å; T947-L1005 HydrophobicContact CG2-CD2 3.56Å; T947-L1005 HydrophobicContact CG2-CG 4.18Å
948	I	88.1	Confident	88.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-43.8	176.2	-66.6	163.7	0	0	0	111.1	I931 K944 L945 R946 E950 I951 V952 L1005 L1080 F1084	I931-I948 HydrophobicContact CD1-CG2 4.48Å; K944-I948 WeakPolarHBondContact O-CD1 2.73Å; K944-I948 VanDerWaalsContact O-CG1 3.24Å; K944-I948 WeakPolarHBondContact O-CG1 2.74Å; K944-I948 PolarHBondContact O-N 2.92Å; L945-I948 PolarHBondContact O-N 2.88Å; R946-I948 VanDerWaalsContact C-N 3.32Å; R946-I948 PolarHBondContact O-N 2.85Å; I948-E950 VanDerWaalsContact C-N 3.3Å; I948-E950 PolarHBondContact O-N 3.45Å; I948-I951 PolarHBondContact O-N 3.5Å; I948-V952 HydrophobicContact CG2-CG2 4.45Å; I948-V952 WeakPolarHBondContact O-CG2 3.32Å; I948-V952 PolarHBondContact O-N 3.45Å; I948-L1005 HydrophobicContact CG1-CD1 4.21Å; I948-L1005 HydrophobicContact CG1-CD2 4.29Å; I948-L1080 HydrophobicContact CD1-CB 4.49Å; I948-L1080 WeakPolarHBondContact CD1-O 3.3Å; I948-L1080 HydrophobicContact CG1-CB 4.32Å; I948-L1080 HydrophobicContact CG2-CB 3.87Å; I948-L1080 HydrophobicContact CG2-CD1 4.46Å; I948-F1084 HydrophobicContact CD1-CD2 3.89Å; I948-F1084 HydrophobicContact CD1-CE2 4.27Å
949	C	89.4	Confident	88.8	Confident	20 Å²	20	44.5 Å²	44.5	14%	0.135	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-41.5	175.1	-71.6	0	0	0	0	111.9	L945 R946 N953	L945-C949 WeakPolarHBondContact O-CB 3.33Å; L945-C949 PolarHBondContact O-N 2.92Å; L945-C949 PolarHBondContact O-SG 2.71Å; R946-C949 WeakPolarHBondContact O-CB 3.35Å; R946-C949 PolarHBondContact O-N 2.89Å; C949-N953 WeakPolarHBondContact O-CB 3.5Å; C949-N953 PolarHBondContact O-N 3.01Å
950	E	89.1	Confident	88.9	Confident	66 Å²	66	37.7 Å²	37.7	31%	0.308	19%	0.188	S	C	.	.	H	α-helix	trans	-67.2	-41.8	178.6	-68.1	167.7	175.5	0	0	111.8	M897 R946 T947 I948 N953 T954	M897-E950 HydrophobicContact CE-CB 3.31Å; M897-E950 HydrophobicContact CE-CG 4.31Å; M897-E950 WeakPolarHBondContact CE-OE2 2.97Å; R946-E950 WeakPolarHBondContact O-CG 3.42Å; R946-E950 PolarHBondContact O-N 2.82Å; T947-E950 PolarHBondContact O-N 3.27Å; I948-E950 VanDerWaalsContact C-N 3.3Å; I948-E950 PolarHBondContact O-N 3.45Å; E950-N953 PolarHBondContact O-N 2.87Å; E950-T954 VanDerWaalsContact O-CB 3.3Å; E950-T954 WeakPolarHBondContact O-CB 3.27Å; E950-T954 PolarHBondContact O-N 3.23Å; E950-T954 PolarHBondContact O-OG1 3.31Å
951	I	88.4	Confident	89.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-54.8	173.9	-71.8	159.4	0	0	0	110.1	T947 I948 N953 T954 L955 C1002 L1005 L1080	T947-I951 HydrophobicContact CG2-CD1 3.97Å; T947-I951 WeakPolarHBondContact O-CD1 3.39Å; T947-I951 VanDerWaalsContact O-CG1 3.26Å; T947-I951 WeakPolarHBondContact O-CG1 3.25Å; T947-I951 PolarHBondContact O-N 3.36Å; I948-I951 PolarHBondContact O-N 3.5Å; I951-N953 VanDerWaalsContact C-N 3.31Å; I951-N953 PolarHBondContact O-N 2.78Å; I951-T954 WeakPolarHBondContact O-CB 3.34Å; I951-T954 PolarHBondContact O-N 3.29Å; I951-T954 VanDerWaalsContact O-N 3.13Å; I951-L955 HydrophobicContact CG2-CD1 4.14Å; I951-L955 WeakPolarHBondContact O-CG 3.48Å; I951-L955 PolarHBondContact O-N 2.81Å; I951-C1002 HydrophobicContact CD1-CB 4.49Å; I951-C1002 VanDerWaalsContact CG2-SG 3.57Å; I951-L1005 HydrophobicContact CD1-CD1 3.7Å; I951-L1005 HydrophobicContact CD1-CG 4.1Å; I951-L1080 HydrophobicContact CG2-CD1 4.08Å
952	V	87.4	Confident	89.5	Confident	1 Å²	1	35 Å²	35	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-40.9	-178.4	169.6	0	0	0	0	111.4	R927 I931 I948 T954 H956 L1073 S1077	R927-V952 HydrophobicContact CB-CG1 3.98Å; R927-V952 HydrophobicContact CG-CG1 4.26Å; I931-V952 HydrophobicContact CD1-CB 4.18Å; I931-V952 HydrophobicContact CD1-CG1 4.29Å; I931-V952 HydrophobicContact CD1-CG2 4.09Å; I948-V952 HydrophobicContact CG2-CG2 4.45Å; I948-V952 WeakPolarHBondContact O-CG2 3.32Å; I948-V952 PolarHBondContact O-N 3.45Å; V952-T954 VanDerWaalsContact C-N 3.34Å; V952-H956 WeakPolarHBondContact O-CB 3.43Å; V952-H956 PolarHBondContact O-N 2.91Å; V952-L1073 HydrophobicContact CG1-CD2 4.46Å; V952-S1077 WeakPolarHBondContact CG1-OG 3.42Å; V952-S1077 WeakPolarHBondContact CG2-OG 3.48Å
953	N	89.2	Confident	89.6	Confident	48 Å²	48	31.6 Å²	31.6	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-68	-35.7	178	-167.3	49.8	0	0	0	112	C949 E950 I951 H956 N957	C949-N953 WeakPolarHBondContact O-CB 3.5Å; C949-N953 PolarHBondContact O-N 3.01Å; E950-N953 PolarHBondContact O-N 2.87Å; I951-N953 VanDerWaalsContact C-N 3.31Å; I951-N953 PolarHBondContact O-N 2.78Å; N953-H956 PolarHBondContact O-N 2.9Å; N953-N957 PolarHBondContact O-N 3.49Å; N953-N957 PolarHBondContact O-ND2 2.81Å; N953-N957 VanDerWaalsContact O-ND2 3.16Å
954	T	89.9	Confident	89.7	Confident	4 Å²	4	25 Å²	25	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-50.9	175.8	-61.3	0	0	0	0	111.4	Y915 E950 I951 V952 H956 N957 A958 M994 A998	Y915-T954 HydrophobicContact CE2-CG2 4.12Å; Y915-T954 VanDerWaalsContact OH-CA 3.29Å; Y915-T954 WeakPolarHBondContact OH-CA 3.32Å; Y915-T954 PolarHBondContact OH-OG1 2.68Å; E950-T954 VanDerWaalsContact O-CB 3.3Å; E950-T954 WeakPolarHBondContact O-CB 3.27Å; E950-T954 PolarHBondContact O-N 3.23Å; E950-T954 PolarHBondContact O-OG1 3.31Å; I951-T954 WeakPolarHBondContact O-CB 3.34Å; I951-T954 PolarHBondContact O-N 3.29Å; I951-T954 VanDerWaalsContact O-N 3.13Å; V952-T954 VanDerWaalsContact C-N 3.34Å; T954-H956 VanDerWaalsContact C-N 3.31Å; T954-H956 PolarHBondContact O-N 3.12Å; T954-N957 PolarHBondContact O-N 3.41Å; T954-A958 WeakPolarHBondContact O-CB 3.47Å; T954-A958 PolarHBondContact O-N 2.73Å; T954-M994 HydrophobicContact CG2-CB 4.02Å; T954-M994 HydrophobicContact CG2-CE 3.43Å; T954-M994 VanDerWaalsContact CG2-CE 3.43Å; T954-M994 WeakPolarHBondContact CG2-O 3.24Å; T954-A998 HydrophobicContact CG2-CB 4.14Å
955	L	88.4	Confident	89.8	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-42.2	177.7	-60.7	166.5	0	0	0	111.9	I951 A958 S959 Y995 A998 F1033 M1037 L1073 L1076	I951-L955 HydrophobicContact CG2-CD1 4.14Å; I951-L955 WeakPolarHBondContact O-CG 3.48Å; I951-L955 PolarHBondContact O-N 2.81Å; L955-A958 PolarHBondContact O-N 3.34Å; L955-S959 WeakPolarHBondContact O-CB 3.38Å; L955-S959 PolarHBondContact O-N 3.08Å; L955-S959 PolarHBondContact O-OG 2.8Å; L955-Y995 HydrophobicContact CD2-CD1 3.89Å; L955-A998 HydrophobicContact CD2-CB 3.43Å; L955-A998 VanDerWaalsContact CD2-CB 3.43Å; L955-A998 HydrophobicContact CG-CB 3.9Å; L955-F1033 HydrophobicContact CD1-CD2 4.23Å; L955-F1033 HydrophobicContact CD1-CE2 3.27Å; L955-F1033 HydrophobicContact CD1-CZ 3.84Å; L955-F1033 HydrophobicContact CD2-CE2 3.84Å; L955-F1033 HydrophobicContact CD2-CZ 3.5Å; L955-F1033 HydrophobicContact CG-CE2 4.12Å; L955-F1033 HydrophobicContact CG-CZ 4.27Å; L955-M1037 HydrophobicContact CD2-SD 4.29Å; L955-L1073 HydrophobicContact CB-CD1 4.22Å; L955-L1076 HydrophobicContact CD1-CD2 3.46Å; L955-L1076 VanDerWaalsContact CD1-CD2 3.46Å
956	H	88.2	Confident	89.7	Confident	24 Å²	24	26 Å²	26	11%	0.111	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-46.8	179.2	173	49.2	0	0	0	112.8	R927 V952 N953 T954 A958 S959 I960 L1073	R927-H956 PolarHBondContact NH1-CD2 3.07Å; R927-H956 PolarHBondContact NH1-CE1 2.71Å; R927-H956 PolarHBondContact NH1-ND1 3.07Å; R927-H956 PolarHBondContact NH1-NE2 3.45Å; R927-H956 PolarHBondContact NH2-CE1 2.88Å; R927-H956 PolarHBondContact NH2-ND1 2.78Å; R927-H956 PolarHBondContact NH2-NE2 3.39Å; V952-H956 WeakPolarHBondContact O-CB 3.43Å; V952-H956 PolarHBondContact O-N 2.91Å; N953-H956 PolarHBondContact O-N 2.9Å; T954-H956 VanDerWaalsContact C-N 3.31Å; T954-H956 PolarHBondContact O-N 3.12Å; H956-A958 VanDerWaalsContact C-N 3.34Å; H956-S959 PolarHBondContact O-N 2.88Å; H956-S959 PolarHBondContact O-OG 2.7Å; H956-I960 WeakPolarHBondContact CE1-CD1 3.4Å; H956-I960 VanDerWaalsContact CE1-CG1 3.47Å; H956-I960 WeakPolarHBondContact CE1-CG1 3.33Å; H956-I960 WeakPolarHBondContact NE2-CD1 3.2Å; H956-I960 WeakPolarHBondContact O-CB 3.27Å; H956-I960 WeakPolarHBondContact O-CG1 3.44Å; H956-I960 PolarHBondContact O-N 3.15Å; H956-L1073 HydrophobicContact CB-CD2 3.75Å
957	N	91.3	Very high	89.5	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-70.9	-35.5	-178.5	-68.9	-35.1	0	0	0	110.8	Y915 V918 N953 T954 I960 M961	Y915-N957 HydrophobicContact CD2-CB 4.02Å; Y915-N957 HydrophobicContact CE2-CB 3.61Å; V918-N957 HydrophobicContact CG1-CB 4.22Å; N953-N957 PolarHBondContact O-N 3.49Å; N953-N957 PolarHBondContact O-ND2 2.81Å; N953-N957 VanDerWaalsContact O-ND2 3.16Å; T954-N957 PolarHBondContact O-N 3.41Å; N957-I960 PolarHBondContact O-N 2.77Å; N957-M961 VanDerWaalsContact O-CG 3.3Å; N957-M961 WeakPolarHBondContact O-CG 3.43Å; N957-M961 PolarHBondContact O-N 3.41Å; N957-M961 VanDerWaalsContact O-N 3.15Å
958	A	92	Very high	89.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61	-47.1	171.1	0	0	0	0	0	111.5	T954 L955 H956 I960 M961 I962 A991 M994 Y995	T954-A958 WeakPolarHBondContact O-CB 3.47Å; T954-A958 PolarHBondContact O-N 2.73Å; L955-A958 PolarHBondContact O-N 3.34Å; H956-A958 VanDerWaalsContact C-N 3.34Å; A958-I960 PolarHBondContact O-N 3.35Å; A958-M961 WeakPolarHBondContact O-CB 3.35Å; A958-M961 PolarHBondContact O-N 3.35Å; A958-I962 PolarHBondContact O-N 3.18Å; A958-A991 HydrophobicContact CB-CB 4.43Å; A958-M994 HydrophobicContact CB-CB 4.02Å; A958-Y995 HydrophobicContact CB-CD1 3.96Å; A958-Y995 HydrophobicContact CB-CE1 3.67Å
959	S	89.4	Confident	89.2	Confident	22 Å²	22	21 Å²	21	15%	0.154	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-37.3	178.8	81.6	0	0	0	0	112.2	L955 H956 M961 I962 D963 Y995	L955-S959 WeakPolarHBondContact O-CB 3.38Å; L955-S959 PolarHBondContact O-N 3.08Å; L955-S959 PolarHBondContact O-OG 2.8Å; H956-S959 PolarHBondContact O-N 2.88Å; H956-S959 PolarHBondContact O-OG 2.7Å; S959-M961 VanDerWaalsContact C-N 3.3Å; S959-M961 PolarHBondContact O-N 2.76Å; S959-I962 PolarHBondContact O-N 3.17Å; S959-D963 WeakPolarHBondContact O-CB 3.29Å; S959-D963 PolarHBondContact O-N 3.18Å; S959-Y995 WeakPolarHBondContact CA-OH 3.24Å
960	I	89.2	Confident	89	Confident	6 Å²	6	24.5 Å²	24.5	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-43.4	172.6	-84.8	-178.5	0	0	0	111.7	V918 H956 N957 A958 I962 D963 D964	V918-I960 HydrophobicContact CG1-CG2 3.96Å; H956-I960 WeakPolarHBondContact CE1-CD1 3.4Å; H956-I960 VanDerWaalsContact CE1-CG1 3.47Å; H956-I960 WeakPolarHBondContact CE1-CG1 3.33Å; H956-I960 WeakPolarHBondContact NE2-CD1 3.2Å; H956-I960 WeakPolarHBondContact O-CB 3.27Å; H956-I960 WeakPolarHBondContact O-CG1 3.44Å; H956-I960 PolarHBondContact O-N 3.15Å; N957-I960 PolarHBondContact O-N 2.77Å; A958-I960 PolarHBondContact O-N 3.35Å; I960-I962 VanDerWaalsContact C-N 3.26Å; I960-I962 PolarHBondContact O-N 3.46Å; I960-D963 PolarHBondContact O-N 2.97Å; I960-D964 WeakPolarHBondContact O-CB 3.39Å; I960-D964 PolarHBondContact O-N 3.47Å
961	M	93.1	Very high	88.8	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-33.9	-177.4	-72.5	162.6	63.2	0	0	111.9	P914 Y915 V918 N957 A958 S959 I965 A978 T987 A991	P914-M961 HydrophobicContact CB-CE 3.55Å; Y915-M961 HydrophobicContact CD2-SD 4.4Å; V918-M961 HydrophobicContact CB-CG 4.34Å; V918-M961 HydrophobicContact CG2-CG 3.74Å; V918-M961 HydrophobicContact CG2-SD 4.29Å; N957-M961 VanDerWaalsContact O-CG 3.3Å; N957-M961 WeakPolarHBondContact O-CG 3.43Å; N957-M961 PolarHBondContact O-N 3.41Å; N957-M961 VanDerWaalsContact O-N 3.15Å; A958-M961 WeakPolarHBondContact O-CB 3.35Å; A958-M961 PolarHBondContact O-N 3.35Å; S959-M961 VanDerWaalsContact C-N 3.3Å; S959-M961 PolarHBondContact O-N 2.76Å; M961-I965 VanDerWaalsContact O-CD1 3.31Å; M961-I965 WeakPolarHBondContact O-CD1 3.09Å; M961-I965 VanDerWaalsContact O-CG1 3.31Å; M961-I965 WeakPolarHBondContact O-CG1 3.48Å; M961-A978 HydrophobicContact CG-CB 4.4Å; M961-T987 HydrophobicContact CB-CG2 3.94Å; M961-T987 HydrophobicContact CE-CG2 3.64Å; M961-T987 WeakPolarHBondContact CE-O 3.09Å; M961-T987 HydrophobicContact CG-CG2 4.32Å; M961-A991 HydrophobicContact CB-CB 4.05Å; M961-A991 HydrophobicContact CE-CB 4.06Å; M961-A991 HydrophobicContact SD-CB 4.43Å
962	I	93.1	Very high	88.5	Confident	24 Å²	24	25.6 Å²	25.6	12%	0.123	14%	0.136	C	C	.	.	H	α-helix	trans	-74.1	-46.3	174.6	-59.6	-58.1	0	0	0	110.5	A958 S959 I960 D964 I965 E966 A991	A958-I962 PolarHBondContact O-N 3.18Å; S959-I962 PolarHBondContact O-N 3.17Å; I960-I962 VanDerWaalsContact C-N 3.26Å; I960-I962 PolarHBondContact O-N 3.46Å; I962-D964 PolarHBondContact O-N 3.46Å; I962-I965 WeakPolarHBondContact O-CA 3.39Å; I962-I965 VanDerWaalsContact O-CB 3.32Å; I962-I965 WeakPolarHBondContact O-CB 3.06Å; I962-I965 PolarHBondContact O-N 3.29Å; I962-E966 HydrophobicContact CG2-CG 4.25Å; I962-E966 WeakPolarHBondContact CG2-OE1 3.4Å; I962-E966 WeakPolarHBondContact O-CG 2.93Å; I962-E966 PolarHBondContact O-N 3.39Å; I962-A991 HydrophobicContact CD1-CB 3.62Å; I962-A991 HydrophobicContact CG1-CB 3.79Å
963	D	90	Very high	88.1	Confident	30 Å²	30	27.9 Å²	27.9	16%	0.16	14%	0.144	C	C	.	.	H	α-helix	trans	-55.3	-48.3	175.9	-177.3	74.4	0	0	0	111.7	S959 I960 I965 E966 D967 R972 Q1044 K1069	S959-D963 WeakPolarHBondContact O-CB 3.29Å; S959-D963 PolarHBondContact O-N 3.18Å; I960-D963 PolarHBondContact O-N 2.97Å; D963-I965 PolarHBondContact O-N 3.45Å; D963-I965 VanDerWaalsContact O-N 3.11Å; D963-E966 PolarHBondContact O-N 3.35Å; D963-E966 VanDerWaalsContact O-N 3.09Å; D963-D967 PolarHBondContact O-N 3.32Å; D963-R972 IonicContact OD2-NH2 2.81Å; D963-R972 PolarHBondContact OD2-NH2 3.19Å; D963-Q1044 PolarHBondContact OD1-NE2 3.31Å; D963-K1069 IonicContact OD1-NZ 3.53Å
964	D	90.9	Very high	87.6	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-28	175.6	-78.8	-22.5	0	0	0	113.2	I960 I962 D968 S969 R972 V977 H979	I960-D964 WeakPolarHBondContact O-CB 3.39Å; I960-D964 PolarHBondContact O-N 3.47Å; I962-D964 PolarHBondContact O-N 3.46Å; D964-D968 PolarHBondContact O-N 3.18Å; D964-S969 PolarHBondContact O-N 3.41Å; D964-R972 IonicContact OD1-CZ 2.71Å; D964-R972 IonicContact OD1-NE 2.84Å; D964-R972 PolarHBondContact OD1-NE 3.21Å; D964-R972 IonicContact OD1-NH2 3.7Å; D964-R972 PolarHBondContact OD1-NH2 3.14Å; D964-R972 WeakPolarHBondContact OD2-CD 3.47Å; D964-R972 IonicContact OD2-CZ 3.33Å; D964-R972 IonicContact OD2-NE 3.76Å; D964-R972 PolarHBondContact OD2-NE 3.37Å; D964-V977 HydrophobicContact CB-CB 4.15Å; D964-V977 HydrophobicContact CB-CG1 4.06Å; D964-H979 PolarHBondContact O-CE1 3.03Å
965	I	90.9	Very high	87.3	Confident	36 Å²	36	32.5 Å²	32.5	19%	0.185	17%	0.172	C	C	.	.	H	α-helix	trans	-80.1	-45.3	176.2	-72.3	166.7	0	0	0	110.5	M961 I962 D963 D967 D968 H979 L984 T987 I988	M961-I965 VanDerWaalsContact O-CD1 3.31Å; M961-I965 WeakPolarHBondContact O-CD1 3.09Å; M961-I965 VanDerWaalsContact O-CG1 3.31Å; M961-I965 WeakPolarHBondContact O-CG1 3.48Å; I962-I965 WeakPolarHBondContact O-CA 3.39Å; I962-I965 VanDerWaalsContact O-CB 3.32Å; I962-I965 WeakPolarHBondContact O-CB 3.06Å; I962-I965 PolarHBondContact O-N 3.29Å; D963-I965 PolarHBondContact O-N 3.45Å; D963-I965 VanDerWaalsContact O-N 3.11Å; I965-D967 PolarHBondContact O-N 2.89Å; I965-D968 PolarHBondContact O-N 3.04Å; I965-H979 HydrophobicContact CD1-CB 3.95Å; I965-H979 HydrophobicContact CG1-CB 3.61Å; I965-L984 HydrophobicContact CB-CD1 4.24Å; I965-L984 HydrophobicContact CD1-CD1 3.85Å; I965-L984 HydrophobicContact CG1-CD1 3.81Å; I965-L984 HydrophobicContact CG2-CD1 3.44Å; I965-L984 VanDerWaalsContact CG2-CD1 3.44Å; I965-T987 HydrophobicContact CD1-CG2 3.87Å; I965-I988 HydrophobicContact CD1-CD1 4.43Å; I965-I988 HydrophobicContact CD1-CG1 3.62Å
966	E	88	Confident	87.3	Confident	60 Å²	60	35 Å²	35	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-29.4	-179	-70.7	173.2	168.5	0	0	112.7	I962 D963 Q1044 I1048 R1051	I962-E966 HydrophobicContact CG2-CG 4.25Å; I962-E966 WeakPolarHBondContact CG2-OE1 3.4Å; I962-E966 WeakPolarHBondContact O-CG 2.93Å; I962-E966 PolarHBondContact O-N 3.39Å; D963-E966 PolarHBondContact O-N 3.35Å; D963-E966 VanDerWaalsContact O-N 3.09Å; E966-Q1044 WeakPolarHBondContact OE2-CG 3.26Å; E966-Q1044 PolarHBondContact OE2-NE2 3.07Å; E966-I1048 HydrophobicContact CB-CD1 4.23Å; E966-I1048 HydrophobicContact CG-CD1 4.34Å; E966-R1051 PolarHBondContact O-NH1 3.25Å
967	D	84.3	Confident	87.4	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.4	176.9	-69.9	-39.3	0	0	0	113.9	D963 I965 S969 R1051 E1129 K1131 R1174	D963-D967 PolarHBondContact O-N 3.32Å; I965-D967 PolarHBondContact O-N 2.89Å; D967-S969 WeakPolarHBondContact CB-OG 3.23Å; D967-S969 PolarHBondContact O-N 3.3Å; D967-R1051 IonicContact OD1-NH1 3.48Å; D967-R1051 PolarHBondContact OD1-NH1 2.92Å; D967-E1129 HydrophobicContact CB-CG 4.22Å; D967-K1131 VanDerWaalsContact CG-CE 3.47Å; D967-K1131 WeakPolarHBondContact OD1-CE 3.13Å; D967-K1131 IonicContact OD1-NZ 2.61Å; D967-K1131 PolarHBondContact OD1-NZ 3.08Å; D967-K1131 VanDerWaalsContact OD2-CE 3.32Å; D967-K1131 WeakPolarHBondContact OD2-CE 3.5Å; D967-K1131 IonicContact OD2-NZ 3.52Å; D967-K1131 PolarHBondContact OD2-NZ 3.2Å; D967-R1174 PolarHBondContact O-NH1 2.91Å
968	D	84.4	Confident	87.5	Confident	87 Å²	87	33.8 Å²	33.8	47%	0.465	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	38.8	-168.6	-168.4	32.8	0	0	0	112.3	D964 I965 K980	D964-D968 PolarHBondContact O-N 3.18Å; I965-D968 PolarHBondContact O-N 3.04Å; D968-K980 IonicContact OD1-NZ 2.63Å; D968-K980 PolarHBondContact OD1-NZ 3.37Å
969	S	86.3	Confident	87.5	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.028	19%	0.186	C	C	.	.			trans	-61.4	148.9	-179.1	-50	0	0	0	0	110.8	D964 D967 V977 H979 E1129	D964-S969 PolarHBondContact O-N 3.41Å; D967-S969 WeakPolarHBondContact CB-OG 3.23Å; D967-S969 PolarHBondContact O-N 3.3Å; S969-V977 WeakPolarHBondContact O-CG2 3.4Å; S969-H979 PolarHBondContact O-CE1 3.39Å; S969-E1129 PolarHBondContact OG-OE1 3.11Å
970	V	85.3	Confident	87.5	Confident	93 Å²	93	38.6 Å²	38.6	56%	0.564	20%	0.201	S	C	*	.			trans	-100.2	-40.6	-178.1	-178.6	0	0	0	0	111.2	P976 V977	V970-P976 WeakPolarHBondContact O-CA 3.4Å; V970-V977 PolarHBondContact O-N 3.18Å
971	L	85.4	Confident	87.6	Confident	54 Å²	54	42.4 Å²	42.4	28%	0.283	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.6	-175.2	-63.1	175.4	0	0	0	110.7	K975	L971-K975 CarbonylContact C-O 3.54Å; L971-K975 VanDerWaalsContact CA-O 3.28Å; L971-K975 WeakPolarHBondContact CA-O 3.33Å
972	R	81.9	Confident	87.4	Confident	34 Å²	34	44.5 Å²	44.5	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.2	164.9	179.2	157.2	-67.6	-111.4	3.2	109.6	D963 D964 G974 K975 V977	D963-R972 IonicContact OD2-NH2 2.81Å; D963-R972 PolarHBondContact OD2-NH2 3.19Å; D964-R972 IonicContact OD1-CZ 2.71Å; D964-R972 IonicContact OD1-NE 2.84Å; D964-R972 PolarHBondContact OD1-NE 3.21Å; D964-R972 IonicContact OD1-NH2 3.7Å; D964-R972 PolarHBondContact OD1-NH2 3.14Å; D964-R972 WeakPolarHBondContact OD2-CD 3.47Å; D964-R972 IonicContact OD2-CZ 3.33Å; D964-R972 IonicContact OD2-NE 3.76Å; D964-R972 PolarHBondContact OD2-NE 3.37Å; R972-G974 PolarHBondContact O-N 2.9Å; R972-K975 PolarHBondContact N-O 3.45Å; R972-K975 PolarHBondContact O-N 3.4Å; R972-K975 VanDerWaalsContact O-O 3.14Å; R972-V977 HydrophobicContact CB-CG1 3.9Å
973	R	79.7	Confident	87.2	Confident	49 Å²	49	44.9 Å²	44.9	19%	0.185	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.1	-178.3	-59.1	162.5	177.8	171.5	13.5	111.6	L921 P922 A923 K975 L1120	L921-R973 HydrophobicContact CB-CB 4.48Å; L921-R973 PolarHBondContact O-NH1 3.39Å; P922-R973 VanDerWaalsContact O-CD 3.24Å; P922-R973 WeakPolarHBondContact O-CD 3.42Å; A923-R973 VanDerWaalsContact CB-CZ 3.4Å; R973-K975 VanDerWaalsContact C-N 3.25Å; R973-K975 PolarHBondContact O-N 3.37Å; R973-L1120 WeakPolarHBondContact CA-O 3.43Å; R973-L1120 PolarHBondContact N-O 2.81Å
974	G	77.8	Confident	87.3	Confident	34 Å²	34	47.8 Å²	47.8	35%	0.351	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	8.5	179.8	0	0	0	0	0	115.3	R972 D1119 L1120	R972-G974 PolarHBondContact O-N 2.9Å; G974-D1119 VanDerWaalsContact CA-O 3.26Å; G974-D1119 WeakPolarHBondContact CA-O 3.47Å; G974-L1120 PolarHBondContact N-O 3.01Å
975	K	83.7	Confident	87.3	Confident	116 Å²	116	51.6 Å²	51.6	50%	0.504	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153.8	176.1	-61.5	-62.5	-175	-176.1	0	110.4	L921 L971 R972 R973	L921-K975 HydrophobicContact CD2-CB 3.79Å; L921-K975 HydrophobicContact CD2-CG 3.61Å; L971-K975 CarbonylContact C-O 3.54Å; L971-K975 VanDerWaalsContact CA-O 3.28Å; L971-K975 WeakPolarHBondContact CA-O 3.33Å; R972-K975 PolarHBondContact N-O 3.45Å; R972-K975 PolarHBondContact O-N 3.4Å; R972-K975 VanDerWaalsContact O-O 3.14Å; R973-K975 VanDerWaalsContact C-N 3.25Å; R973-K975 PolarHBondContact O-N 3.37Å
976	P	88	Confident	87.4	Confident	53 Å²	53	51.8 Å²	51.8	34%	0.344	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	140.1	175.1	-23.2	33.8	0	0	0	111.7	Y917 V970 M981	Y917-P976 VanDerWaalsContact CE1-O 3.31Å; Y917-P976 WeakPolarHBondContact CE1-O 3.37Å; Y917-P976 PolarHBondContact OH-O 2.65Å; V970-P976 WeakPolarHBondContact O-CA 3.4Å; P976-M981 HydrophobicContact CB-CG 4.01Å; P976-M981 HydrophobicContact CB-SD 3.85Å; P976-M981 HydrophobicContact CG-SD 4.13Å
977	V	91.6	Very high	87.8	Confident	1 Å²	1	49 Å²	49	1%	0.006	28%	0.276	C	S	.	.			trans	-64.3	156.5	177.8	-61.3	0	0	0	0	112.3	D964 S969 V970 R972 H979 K980 M981	D964-V977 HydrophobicContact CB-CB 4.15Å; D964-V977 HydrophobicContact CB-CG1 4.06Å; S969-V977 WeakPolarHBondContact O-CG2 3.4Å; V970-V977 PolarHBondContact O-N 3.18Å; R972-V977 HydrophobicContact CB-CG1 3.9Å; V977-H979 VanDerWaalsContact C-N 3.31Å; V977-H979 WeakPolarHBondContact CG2-CE1 3.21Å; V977-H979 WeakPolarHBondContact CG2-ND1 3.45Å; V977-H979 PolarHBondContact O-N 3Å; V977-K980 HydrophobicContact CG2-CB 4.24Å; V977-K980 HydrophobicContact CG2-CG 3.6Å; V977-K980 PolarHBondContact O-N 3.28Å; V977-K980 VanDerWaalsContact O-N 3.12Å; V977-M981 PolarHBondContact O-N 3.16Å
978	A	92.6	Very high	88.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-40.4	-173.3	0	0	0	0	0	113.4	P914 Y917 V918 M961 K980 M981 F982 T987	P914-A978 HydrophobicContact CB-CB 4.42Å; Y917-A978 HydrophobicContact CD1-CB 4.25Å; V918-A978 HydrophobicContact CG2-CB 3.74Å; M961-A978 HydrophobicContact CG-CB 4.4Å; A978-K980 VanDerWaalsContact C-N 3.29Å; A978-K980 PolarHBondContact O-N 3.4Å; A978-M981 WeakPolarHBondContact O-CA 3.13Å; A978-M981 PolarHBondContact O-N 2.94Å; A978-F982 HydrophobicContact CB-CD2 4.34Å; A978-F982 WeakPolarHBondContact O-CD2 3.33Å; A978-F982 PolarHBondContact O-N 2.84Å; A978-T987 HydrophobicContact CB-CG2 3.77Å; A978-T987 PolarHBondContact O-OG1 2.69Å
979	H	92.7	Very high	88.8	Confident	17 Å²	17	52 Å²	52	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-25	-177.7	78.8	-100.6	0	0	0	113.7	D964 I965 S969 V977 G983 L984 T987	D964-H979 PolarHBondContact O-CE1 3.03Å; I965-H979 HydrophobicContact CD1-CB 3.95Å; I965-H979 HydrophobicContact CG1-CB 3.61Å; S969-H979 PolarHBondContact O-CE1 3.39Å; V977-H979 VanDerWaalsContact C-N 3.31Å; V977-H979 WeakPolarHBondContact CG2-CE1 3.21Å; V977-H979 WeakPolarHBondContact CG2-ND1 3.45Å; V977-H979 PolarHBondContact O-N 3Å; H979-G983 CarbonylContact O-C 3.48Å; H979-G983 VanDerWaalsContact O-C 3.27Å; H979-G983 WeakPolarHBondContact O-CA 3.48Å; H979-G983 PolarHBondContact O-N 3.4Å; H979-G983 VanDerWaalsContact O-N 3.1Å; H979-L984 HydrophobicContact CB-CD1 4.44Å; H979-T987 VanDerWaalsContact CA-OG1 3.24Å; H979-T987 WeakPolarHBondContact CA-OG1 3.48Å; H979-T987 HydrophobicContact CB-CG2 4.06Å; H979-T987 PolarHBondContact N-OG1 3.18Å
980	K	89.8	Confident	89.2	Confident	105 Å²	105	51.9 Å²	51.9	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-76.8	-26.6	170.2	-58.3	-62.4	-172.2	-146.5	0	111.6	D968 V977 A978	D968-K980 IonicContact OD1-NZ 2.63Å; D968-K980 PolarHBondContact OD1-NZ 3.37Å; V977-K980 HydrophobicContact CG2-CB 4.24Å; V977-K980 HydrophobicContact CG2-CG 3.6Å; V977-K980 PolarHBondContact O-N 3.28Å; V977-K980 VanDerWaalsContact O-N 3.12Å; A978-K980 VanDerWaalsContact C-N 3.29Å; A978-K980 PolarHBondContact O-N 3.4Å
981	M	89.5	Confident	89.6	Confident	87 Å²	87	47.4 Å²	47.4	43%	0.429	26%	0.264	S	S	.	.	H	α-helix	trans	-85.7	-47.6	-179.2	-67.9	-59.4	-64.2	0	0	113.9	Y917 P976 V977 A978	Y917-M981 HydrophobicContact CE1-CG 4.14Å; P976-M981 HydrophobicContact CB-CG 4.01Å; P976-M981 HydrophobicContact CB-SD 3.85Å; P976-M981 HydrophobicContact CG-SD 4.13Å; V977-M981 PolarHBondContact O-N 3.16Å; A978-M981 WeakPolarHBondContact O-CA 3.13Å; A978-M981 PolarHBondContact O-N 2.94Å
982	F	90.3	Very high	89.9	Confident	45 Å²	45	48 Å²	48	20%	0.197	27%	0.267	C	S	.	.	H	α-helix	trans	-105.7	-11	-174.8	-57.6	-86.8	0	0	0	113.2	L882 A913 P914 Y917 A978	L882-F982 HydrophobicContact CD2-CE1 3.53Å; L882-F982 HydrophobicContact CD2-CZ 3.43Å; L882-F982 VanDerWaalsContact CD2-CZ 3.43Å; L882-F982 HydrophobicContact CG-CE1 4.16Å; A913-F982 HydrophobicContact CB-CD1 4.34Å; A913-F982 HydrophobicContact CB-CE1 3.93Å; P914-F982 HydrophobicContact CB-CB 4.3Å; P914-F982 HydrophobicContact CB-CD2 3.92Å; P914-F982 HydrophobicContact CB-CG 4.1Å; P914-F982 HydrophobicContact CG-CB 3.74Å; P914-F982 HydrophobicContact CG-CD1 4.2Å; P914-F982 HydrophobicContact CG-CD2 4.11Å; P914-F982 HydrophobicContact CG-CG 3.75Å; Y917-F982 VanDerWaalsContact CB-CE2 3.46Å; Y917-F982 AromaticContact CD1-CE2 3.76Å; Y917-F982 HydrophobicContact CD1-CE2 3.76Å; Y917-F982 HydrophobicContact CD2-CE2 4.24Å; Y917-F982 HydrophobicContact CD2-CZ 4.34Å; Y917-F982 AromaticContact CG-CE2 3.55Å; Y917-F982 HydrophobicContact CG-CE2 3.55Å; Y917-F982 AromaticContact CG-CZ 3.95Å; Y917-F982 HydrophobicContact CG-CZ 3.95Å; A978-F982 HydrophobicContact CB-CD2 4.34Å; A978-F982 WeakPolarHBondContact O-CD2 3.33Å; A978-F982 PolarHBondContact O-N 2.84Å
983	G	89.1	Confident	90.4	Very high	31 Å²	31	48.9 Å²	48.9	32%	0.32	27%	0.271	S	S	.	.			trans	93.2	154.8	-174.3	0	0	0	0	0	112.5	H979 T987	H979-G983 CarbonylContact O-C 3.48Å; H979-G983 VanDerWaalsContact O-C 3.27Å; H979-G983 WeakPolarHBondContact O-CA 3.48Å; H979-G983 PolarHBondContact O-N 3.4Å; H979-G983 VanDerWaalsContact O-N 3.1Å; G983-T987 WeakPolarHBondContact O-CB 3.41Å; G983-T987 PolarHBondContact O-N 3.06Å; G983-T987 VanDerWaalsContact O-N 3.1Å; G983-T987 PolarHBondContact O-OG1 3.38Å
984	L	90.7	Very high	91.1	Very high	92 Å²	92	46.6 Å²	46.6	48%	0.482	26%	0.262	S	S	.	.	H	α-helix	trans	-56.5	-57.2	-176.1	-173.5	67.4	0	0	0	112.3	I965 H979 S986 T987 I988	I965-L984 HydrophobicContact CB-CD1 4.24Å; I965-L984 HydrophobicContact CD1-CD1 3.85Å; I965-L984 HydrophobicContact CG1-CD1 3.81Å; I965-L984 HydrophobicContact CG2-CD1 3.44Å; I965-L984 VanDerWaalsContact CG2-CD1 3.44Å; H979-L984 HydrophobicContact CB-CD1 4.44Å; L984-S986 PolarHBondContact O-N 3.06Å; L984-T987 PolarHBondContact O-N 3.47Å; L984-I988 HydrophobicContact CD1-CD1 4.11Å; L984-I988 HydrophobicContact CG-CD1 3.94Å; L984-I988 WeakPolarHBondContact O-CG1 3.45Å; L984-I988 PolarHBondContact O-N 3.18Å
985	A	92.6	Very high	91.6	Very high	81 Å²	81	46.4 Å²	46.4	67%	0.669	25%	0.251	S	S	*	.	H	α-helix	trans	-61.6	-39.8	-176	0	0	0	0	0	113.4	N989	A985-N989 WeakPolarHBondContact O-CB 3.09Å; A985-N989 PolarHBondContact O-N 3.01Å
986	S	92.3	Very high	91.7	Very high	41 Å²	41	47.5 Å²	47.5	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-66.3	-40.4	177.8	174.5	0	0	0	0	111.3	P914 L984 N989 S990	P914-S986 WeakPolarHBondContact CG-OG 3.42Å; L984-S986 PolarHBondContact O-N 3.06Å; S986-N989 PolarHBondContact O-N 3.12Å; S986-S990 WeakPolarHBondContact O-CB 3.05Å; S986-S990 PolarHBondContact O-N 3.37Å
987	T	95.2	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-44.2	179.9	-55.7	0	0	0	0	111.5	P914 M961 I965 A978 H979 G983 L984 S990 A991	P914-T987 HydrophobicContact CB-CG2 4.5Å; M961-T987 HydrophobicContact CB-CG2 3.94Å; M961-T987 HydrophobicContact CE-CG2 3.64Å; M961-T987 WeakPolarHBondContact CE-O 3.09Å; M961-T987 HydrophobicContact CG-CG2 4.32Å; I965-T987 HydrophobicContact CD1-CG2 3.87Å; A978-T987 HydrophobicContact CB-CG2 3.77Å; A978-T987 PolarHBondContact O-OG1 2.69Å; H979-T987 VanDerWaalsContact CA-OG1 3.24Å; H979-T987 WeakPolarHBondContact CA-OG1 3.48Å; H979-T987 HydrophobicContact CB-CG2 4.06Å; H979-T987 PolarHBondContact N-OG1 3.18Å; G983-T987 WeakPolarHBondContact O-CB 3.41Å; G983-T987 PolarHBondContact O-N 3.06Å; G983-T987 VanDerWaalsContact O-N 3.1Å; G983-T987 PolarHBondContact O-OG1 3.38Å; L984-T987 PolarHBondContact O-N 3.47Å; T987-S990 PolarHBondContact O-N 3.4Å; T987-A991 WeakPolarHBondContact O-CB 3.38Å; T987-A991 PolarHBondContact O-N 3.22Å
988	I	95.5	Very high	91.5	Very high	63 Å²	63	45.2 Å²	45.2	32%	0.323	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-48.4	174.8	-65.5	172.7	0	0	0	110.6	I965 L984 S990 A991 N992	I965-I988 HydrophobicContact CD1-CD1 4.43Å; I965-I988 HydrophobicContact CD1-CG1 3.62Å; L984-I988 HydrophobicContact CD1-CD1 4.11Å; L984-I988 HydrophobicContact CG-CD1 3.94Å; L984-I988 WeakPolarHBondContact O-CG1 3.45Å; L984-I988 PolarHBondContact O-N 3.18Å; I988-S990 VanDerWaalsContact C-N 3.34Å; I988-S990 PolarHBondContact O-N 3.37Å; I988-A991 PolarHBondContact O-N 2.94Å; I988-N992 WeakPolarHBondContact O-CB 3.28Å; I988-N992 PolarHBondContact O-N 3.49Å
989	N	94.2	Very high	91	Very high	92 Å²	92	47.6 Å²	47.6	49%	0.492	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-41.3	-179.2	-166.7	37.7	0	0	0	111.9	L911 A985 S986 Y993	L911-N989 WeakPolarHBondContact CD1-ND2 3.29Å; A985-N989 WeakPolarHBondContact O-CB 3.09Å; A985-N989 PolarHBondContact O-N 3.01Å; S986-N989 PolarHBondContact O-N 3.12Å; N989-Y993 VanDerWaalsContact O-CB 3.26Å; N989-Y993 WeakPolarHBondContact O-CB 3.31Å; N989-Y993 PolarHBondContact O-N 3.06Å
990	S	95.6	Very high	90.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-50	175.9	-167.9	0	0	0	0	111.4	L911 Y915 S986 T987 I988 N992 Y993 M994	L911-S990 WeakPolarHBondContact O-CB 3.5Å; L911-S990 PolarHBondContact O-OG 3.45Å; Y915-S990 PolarHBondContact N-OG 2.78Å; S986-S990 WeakPolarHBondContact O-CB 3.05Å; S986-S990 PolarHBondContact O-N 3.37Å; T987-S990 PolarHBondContact O-N 3.4Å; I988-S990 VanDerWaalsContact C-N 3.34Å; I988-S990 PolarHBondContact O-N 3.37Å; S990-N992 PolarHBondContact O-N 2.87Å; S990-Y993 PolarHBondContact O-N 2.92Å; S990-M994 VanDerWaalsContact O-CG 3.26Å; S990-M994 WeakPolarHBondContact O-CG 3.33Å; S990-M994 PolarHBondContact O-N 3.16Å
991	A	93.5	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-47.2	177.9	0	0	0	0	0	112.3	A958 M961 I962 T987 I988 Y993 M994 Y995	A958-A991 HydrophobicContact CB-CB 4.43Å; M961-A991 HydrophobicContact CB-CB 4.05Å; M961-A991 HydrophobicContact CE-CB 4.06Å; M961-A991 HydrophobicContact SD-CB 4.43Å; I962-A991 HydrophobicContact CD1-CB 3.62Å; I962-A991 HydrophobicContact CG1-CB 3.79Å; T987-A991 WeakPolarHBondContact O-CB 3.38Å; T987-A991 PolarHBondContact O-N 3.22Å; I988-A991 PolarHBondContact O-N 2.94Å; A991-Y993 PolarHBondContact O-N 3.49Å; A991-M994 PolarHBondContact O-N 3.48Å; A991-Y995 PolarHBondContact O-N 3.46Å
992	N	92.8	Very high	90	Very high	65 Å²	65	42.5 Å²	42.5	35%	0.348	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-43.2	178	-72.1	-8	0	0	0	112.1	I988 S990 M994 Y995 F996	I988-N992 WeakPolarHBondContact O-CB 3.28Å; I988-N992 PolarHBondContact O-N 3.49Å; S990-N992 PolarHBondContact O-N 2.87Å; N992-M994 VanDerWaalsContact C-N 3.29Å; N992-M994 PolarHBondContact O-N 2.94Å; N992-Y995 WeakPolarHBondContact O-CB 3.14Å; N992-Y995 PolarHBondContact O-N 3.36Å; N992-F996 WeakPolarHBondContact O-CD2 3.29Å
993	Y	92.4	Very high	89.3	Confident	53 Å²	53	46.2 Å²	46.2	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-41.8	174.8	176.6	-97.9	0	0	0	111.4	E908 L911 V912 N989 S990 A991 Y995 F996 V997	E908-Y993 PolarHBondContact OE1-OH 3.02Å; L911-Y993 HydrophobicContact CD2-CD1 3.85Å; L911-Y993 HydrophobicContact CD2-CD2 3.51Å; L911-Y993 HydrophobicContact CD2-CE1 4.04Å; L911-Y993 HydrophobicContact CD2-CE2 3.7Å; L911-Y993 HydrophobicContact CD2-CG 3.58Å; L911-Y993 HydrophobicContact CG-CD1 4.14Å; L911-Y993 HydrophobicContact CG-CD2 4.47Å; L911-Y993 HydrophobicContact CG-CG 4.07Å; V912-Y993 HydrophobicContact CG1-CD1 3.93Å; V912-Y993 HydrophobicContact CG1-CE1 3.74Å; N989-Y993 VanDerWaalsContact O-CB 3.26Å; N989-Y993 WeakPolarHBondContact O-CB 3.31Å; N989-Y993 PolarHBondContact O-N 3.06Å; S990-Y993 PolarHBondContact O-N 2.92Å; A991-Y993 PolarHBondContact O-N 3.49Å; Y993-Y995 VanDerWaalsContact C-N 3.3Å; Y993-Y995 PolarHBondContact O-N 3.5Å; Y993-F996 WeakPolarHBondContact O-CA 3.13Å; Y993-F996 WeakPolarHBondContact O-CB 3.17Å; Y993-F996 PolarHBondContact O-N 3.46Å; Y993-V997 HydrophobicContact CD1-CG2 3.79Å; Y993-V997 HydrophobicContact CE1-CG2 3.34Å; Y993-V997 PolarHBondContact O-N 3.09Å
994	M	92.9	Very high	89	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-26.7	179.1	-66.4	-49.7	-55.7	0	0	113.9	F894 V912 Y915 T954 A958 S990 A991 N992 F996 V997 A998	F894-M994 HydrophobicContact CE2-CE 4.04Å; F894-M994 HydrophobicContact CE2-SD 4.14Å; V912-M994 HydrophobicContact CG1-SD 4.09Å; Y915-M994 HydrophobicContact CD1-CE 3.85Å; Y915-M994 HydrophobicContact CD1-CG 4.14Å; Y915-M994 HydrophobicContact CD1-SD 4Å; Y915-M994 HydrophobicContact CD2-CB 4.17Å; Y915-M994 HydrophobicContact CD2-CE 4.3Å; Y915-M994 HydrophobicContact CD2-CG 3.58Å; Y915-M994 HydrophobicContact CD2-SD 4.45Å; Y915-M994 HydrophobicContact CE1-CE 3.66Å; Y915-M994 HydrophobicContact CE1-SD 4.41Å; Y915-M994 HydrophobicContact CE2-CB 4.46Å; Y915-M994 HydrophobicContact CE2-CE 4.08Å; Y915-M994 HydrophobicContact CE2-CG 4.16Å; Y915-M994 HydrophobicContact CG-CE 4.19Å; Y915-M994 HydrophobicContact CG-CG 3.56Å; Y915-M994 HydrophobicContact CG-SD 4.03Å; T954-M994 HydrophobicContact CG2-CB 4.02Å; T954-M994 HydrophobicContact CG2-CE 3.43Å; T954-M994 VanDerWaalsContact CG2-CE 3.43Å; T954-M994 WeakPolarHBondContact CG2-O 3.24Å; A958-M994 HydrophobicContact CB-CB 4.02Å; S990-M994 VanDerWaalsContact O-CG 3.26Å; S990-M994 WeakPolarHBondContact O-CG 3.33Å; S990-M994 PolarHBondContact O-N 3.16Å; A991-M994 PolarHBondContact O-N 3.48Å; N992-M994 VanDerWaalsContact C-N 3.29Å; N992-M994 PolarHBondContact O-N 2.94Å; M994-F996 VanDerWaalsContact C-N 3.32Å; M994-V997 HydrophobicContact CE-CB 3.96Å; M994-V997 HydrophobicContact CE-CG1 3.94Å; M994-V997 HydrophobicContact CE-CG2 4.27Å; M994-V997 PolarHBondContact O-N 2.91Å; M994-V997 HydrophobicContact SD-CB 4.4Å; M994-V997 HydrophobicContact SD-CG2 4.12Å; M994-A998 PolarHBondContact O-N 3.13Å
995	Y	87.8	Confident	88.6	Confident	31 Å²	31	44 Å²	44	12%	0.122	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-40.3	168.2	-66	-43.8	0	0	0	111.9	L955 A958 S959 A991 N992 Y993 A998 L999 M1037	L955-Y995 HydrophobicContact CD2-CD1 3.89Å; A958-Y995 HydrophobicContact CB-CD1 3.96Å; A958-Y995 HydrophobicContact CB-CE1 3.67Å; S959-Y995 WeakPolarHBondContact CA-OH 3.24Å; A991-Y995 PolarHBondContact O-N 3.46Å; N992-Y995 WeakPolarHBondContact O-CB 3.14Å; N992-Y995 PolarHBondContact O-N 3.36Å; Y993-Y995 VanDerWaalsContact C-N 3.3Å; Y993-Y995 PolarHBondContact O-N 3.5Å; Y995-A998 PolarHBondContact O-N 3.1Å; Y995-L999 PolarHBondContact O-N 3.34Å; Y995-M1037 HydrophobicContact CD1-CE 3.76Å; Y995-M1037 HydrophobicContact CE1-CE 3.39Å
996	F	87.5	Confident	87.8	Confident	138 Å²	138	43.2 Å²	43.2	61%	0.605	24%	0.239	S	C	*	.	H	α-helix	trans	-74.6	-29.4	176.1	-60.7	-70.4	0	0	0	113.1	N992 Y993 M994 L999 K1000	N992-F996 WeakPolarHBondContact O-CD2 3.29Å; Y993-F996 WeakPolarHBondContact O-CA 3.13Å; Y993-F996 WeakPolarHBondContact O-CB 3.17Å; Y993-F996 PolarHBondContact O-N 3.46Å; M994-F996 VanDerWaalsContact C-N 3.32Å; F996-L999 VanDerWaalsContact O-CB 3.3Å; F996-L999 WeakPolarHBondContact O-CB 3.37Å; F996-L999 PolarHBondContact O-N 3.23Å; F996-K1000 PolarHBondContact O-N 3.41Å
997	V	87.7	Confident	87.1	Confident	7 Å²	7	43.7 Å²	43.7	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-41.4	170.8	175.6	0	0	0	0	110.7	M897 Y993 M994 L999 K1000 S1001	M897-V997 HydrophobicContact CB-CG1 4.49Å; M897-V997 HydrophobicContact SD-CG1 4.33Å; Y993-V997 HydrophobicContact CD1-CG2 3.79Å; Y993-V997 HydrophobicContact CE1-CG2 3.34Å; Y993-V997 PolarHBondContact O-N 3.09Å; M994-V997 HydrophobicContact CE-CB 3.96Å; M994-V997 HydrophobicContact CE-CG1 3.94Å; M994-V997 HydrophobicContact CE-CG2 4.27Å; M994-V997 PolarHBondContact O-N 2.91Å; M994-V997 HydrophobicContact SD-CB 4.4Å; M994-V997 HydrophobicContact SD-CG2 4.12Å; V997-L999 VanDerWaalsContact C-N 3.29Å; V997-L999 PolarHBondContact O-N 3.46Å; V997-K1000 PolarHBondContact O-N 2.92Å; V997-S1001 WeakPolarHBondContact O-CB 3.5Å; V997-S1001 PolarHBondContact O-N 3.39Å; V997-S1001 PolarHBondContact O-OG 3.38Å
998	A	86.9	Confident	85.9	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-36.3	172.8	0	0	0	0	0	111.7	T954 L955 M994 Y995 S1001 C1002	T954-A998 HydrophobicContact CG2-CB 4.14Å; L955-A998 HydrophobicContact CD2-CB 3.43Å; L955-A998 VanDerWaalsContact CD2-CB 3.43Å; L955-A998 HydrophobicContact CG-CB 3.9Å; M994-A998 PolarHBondContact O-N 3.13Å; Y995-A998 PolarHBondContact O-N 3.1Å; A998-S1001 PolarHBondContact O-N 3.4Å; A998-C1002 WeakPolarHBondContact O-CB 3.48Å; A998-C1002 PolarHBondContact O-N 2.94Å
999	L	82.7	Confident	84.6	Confident	50 Å²	50	46.3 Å²	46.3	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-57.4	-53.2	169.9	176.8	35.8	0	0	0	112.9	Y995 F996 V997 S1001 C1002 H1003 F1014	Y995-L999 PolarHBondContact O-N 3.34Å; F996-L999 VanDerWaalsContact O-CB 3.3Å; F996-L999 WeakPolarHBondContact O-CB 3.37Å; F996-L999 PolarHBondContact O-N 3.23Å; V997-L999 VanDerWaalsContact C-N 3.29Å; V997-L999 PolarHBondContact O-N 3.46Å; L999-S1001 PolarHBondContact O-N 2.76Å; L999-C1002 WeakPolarHBondContact O-CB 3.44Å; L999-C1002 PolarHBondContact O-N 3.37Å; L999-H1003 PolarHBondContact O-N 3.24Å; L999-F1014 HydrophobicContact CB-CD1 3.88Å; L999-F1014 HydrophobicContact CB-CD2 4.3Å; L999-F1014 HydrophobicContact CB-CE1 3.23Å; L999-F1014 HydrophobicContact CB-CE2 3.71Å; L999-F1014 HydrophobicContact CB-CG 4.35Å; L999-F1014 HydrophobicContact CB-CZ 3.11Å; L999-F1014 HydrophobicContact CD1-CB 3.76Å; L999-F1014 HydrophobicContact CD1-CD1 2.99Å; L999-F1014 HydrophobicContact CD1-CD2 3.78Å; L999-F1014 HydrophobicContact CD1-CE1 3.42Å; L999-F1014 VanDerWaalsContact CD1-CE1 3.42Å; L999-F1014 HydrophobicContact CD1-CE2 4.12Å; L999-F1014 HydrophobicContact CD1-CG 3.18Å; L999-F1014 HydrophobicContact CD1-CZ 3.95Å; L999-F1014 HydrophobicContact CD2-CD1 3.72Å; L999-F1014 HydrophobicContact CD2-CE1 3.49Å; L999-F1014 VanDerWaalsContact CD2-CE1 3.49Å; L999-F1014 HydrophobicContact CD2-CZ 4.3Å; L999-F1014 HydrophobicContact CG-CD1 3.6Å; L999-F1014 HydrophobicContact CG-CE1 3.44Å; L999-F1014 VanDerWaalsContact CG-CE1 3.44Å; L999-F1014 HydrophobicContact CG-CE2 4.39Å; L999-F1014 HydrophobicContact CG-CG 4.14Å; L999-F1014 HydrophobicContact CG-CZ 3.85Å
1000	K	82.8	Confident	83.2	Confident	96 Å²	96	41.9 Å²	41.9	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-58.1	-40.8	179.1	-172.4	179.9	177.4	-177.5	0	110.9	F996 V997 H1003 A1004	F996-K1000 PolarHBondContact O-N 3.41Å; V997-K1000 PolarHBondContact O-N 2.92Å; K1000-H1003 WeakPolarHBondContact O-CB 3.23Å; K1000-H1003 PolarHBondContact O-N 3.27Å; K1000-A1004 PolarHBondContact O-N 3.31Å
1001	S	85.2	Confident	81.7	Confident	7 Å²	7	43.6 Å²	43.6	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-40.2	178.4	-57.2	0	0	0	0	112.6	V997 A998 L999 H1003 A1004 L1005	V997-S1001 WeakPolarHBondContact O-CB 3.5Å; V997-S1001 PolarHBondContact O-N 3.39Å; V997-S1001 PolarHBondContact O-OG 3.38Å; A998-S1001 PolarHBondContact O-N 3.4Å; L999-S1001 PolarHBondContact O-N 2.76Å; S1001-H1003 VanDerWaalsContact C-N 3.33Å; S1001-H1003 PolarHBondContact O-N 2.96Å; S1001-A1004 PolarHBondContact O-N 3.08Å; S1001-L1005 PolarHBondContact O-N 2.97Å
1002	C	81.3	Confident	80	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-41.9	171.3	-85.7	0	0	0	0	111.9	I951 A998 L999 A1004 L1005 F1014	I951-C1002 HydrophobicContact CD1-CB 4.49Å; I951-C1002 VanDerWaalsContact CG2-SG 3.57Å; A998-C1002 WeakPolarHBondContact O-CB 3.48Å; A998-C1002 PolarHBondContact O-N 2.94Å; L999-C1002 WeakPolarHBondContact O-CB 3.44Å; L999-C1002 PolarHBondContact O-N 3.37Å; C1002-A1004 VanDerWaalsContact C-N 3.32Å; C1002-A1004 PolarHBondContact O-N 2.97Å; C1002-L1005 WeakPolarHBondContact O-CB 3.25Å; C1002-L1005 PolarHBondContact O-N 3.16Å; C1002-F1014 HydrophobicContact CB-CD2 3.51Å; C1002-F1014 HydrophobicContact CB-CE2 4.06Å; C1002-F1014 HydrophobicContact CB-CG 4.44Å
1003	H	77.5	Confident	78.2	Confident	122 Å²	122	44.7 Å²	44.7	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-62.1	-40.6	175.2	-175.3	80.3	0	0	0	111.8	L999 K1000 S1001 L1005 G1006 V1011	L999-H1003 PolarHBondContact O-N 3.24Å; K1000-H1003 WeakPolarHBondContact O-CB 3.23Å; K1000-H1003 PolarHBondContact O-N 3.27Å; S1001-H1003 VanDerWaalsContact C-N 3.33Å; S1001-H1003 PolarHBondContact O-N 2.96Å; H1003-L1005 PolarHBondContact O-N 2.89Å; H1003-G1006 PolarHBondContact O-N 3.02Å; H1003-V1011 HydrophobicContact CB-CG2 3.87Å; H1003-V1011 WeakPolarHBondContact ND1-CG2 3.25Å
1004	A	81.7	Confident	76.1	Confident	75 Å²	75	43.1 Å²	43.1	62%	0.62	24%	0.239	S	C	*	.	H	α-helix	trans	-66.7	-14.9	177.6	0	0	0	0	0	114.3	K1000 S1001 C1002 G1006	K1000-A1004 PolarHBondContact O-N 3.31Å; S1001-A1004 PolarHBondContact O-N 3.08Å; C1002-A1004 VanDerWaalsContact C-N 3.32Å; C1002-A1004 PolarHBondContact O-N 2.97Å; A1004-G1006 PolarHBondContact O-N 2.9Å
1005	L	82.1	Confident	74	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.8	173	-72.2	170.3	0	0	0	112.5	K944 T947 I948 I951 S1001 C1002 H1003 H1007 A1010 F1084	K944-L1005 HydrophobicContact CD-CD2 4.14Å; K944-L1005 PolarHBondContact NZ-O 3.31Å; T947-L1005 HydrophobicContact CG2-CD2 3.56Å; T947-L1005 HydrophobicContact CG2-CG 4.18Å; I948-L1005 HydrophobicContact CG1-CD1 4.21Å; I948-L1005 HydrophobicContact CG1-CD2 4.29Å; I951-L1005 HydrophobicContact CD1-CD1 3.7Å; I951-L1005 HydrophobicContact CD1-CG 4.1Å; S1001-L1005 PolarHBondContact O-N 2.97Å; C1002-L1005 WeakPolarHBondContact O-CB 3.25Å; C1002-L1005 PolarHBondContact O-N 3.16Å; H1003-L1005 PolarHBondContact O-N 2.89Å; L1005-H1007 VanDerWaalsContact C-N 3.28Å; L1005-H1007 PolarHBondContact O-N 3.21Å; L1005-A1010 HydrophobicContact CB-CB 4.39Å; L1005-F1084 HydrophobicContact CB-CE2 4.32Å; L1005-F1084 HydrophobicContact CB-CZ 3.77Å; L1005-F1084 HydrophobicContact CD1-CE2 4.11Å; L1005-F1084 HydrophobicContact CD1-CZ 4.39Å; L1005-F1084 HydrophobicContact CD2-CE2 4.42Å; L1005-F1084 HydrophobicContact CD2-CZ 4.41Å; L1005-F1084 HydrophobicContact CG-CZ 4.44Å
1006	G	76.2	Confident	71.9	Confident	64 Å²	64	46.4 Å²	46.4	66%	0.66	27%	0.27	S	S	*	.			trans	78.2	3.3	171.9	0	0	0	0	0	115.2	H1003 A1004	H1003-G1006 PolarHBondContact O-N 3.02Å; A1004-G1006 PolarHBondContact O-N 2.9Å
1007	H	77.4	Confident	69.6	Low	50 Å²	50	46.2 Å²	46.2	23%	0.231	27%	0.273	C	S	.	.			trans	-82.8	129.3	172	-165.4	-82.3	0	0	0	109.2	L1005 D1009 A1010 F1084	L1005-H1007 VanDerWaalsContact C-N 3.28Å; L1005-H1007 PolarHBondContact O-N 3.21Å; H1007-D1009 IonicContact CE1-OD2 3.32Å; H1007-D1009 PolarHBondContact CE1-OD2 2.73Å; H1007-D1009 VanDerWaalsContact CE1-OD2 3.32Å; H1007-D1009 WeakPolarHBondContact ND1-CB 3.45Å; H1007-D1009 PolarHBondContact ND1-N 3.32Å; H1007-D1009 VanDerWaalsContact ND1-N 3.14Å; H1007-D1009 IonicContact ND1-OD2 3.87Å; H1007-D1009 PolarHBondContact O-N 3.45Å; H1007-D1009 VanDerWaalsContact O-N 3.15Å; H1007-A1010 HydrophobicContact CB-CB 3.93Å; H1007-A1010 WeakPolarHBondContact O-CB 3.35Å; H1007-A1010 PolarHBondContact O-N 3.32Å; H1007-F1084 HydrophobicContact CB-CE1 3.9Å; H1007-F1084 HydrophobicContact CB-CZ 3.62Å
1008	P	69.2	Low	67.3	Low	91 Å²	91	57.7 Å²	57.7	59%	0.591	32%	0.315	S	S	*	.	H	α-helix	trans	-57.9	-34.1	-177.7	21	-31.4	0	0	0	111.8
1009	D	68.3	Low	64.9	Low	27 Å²	27	58.9 Å²	58.9	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-85.3	-9.7	177	-51.3	-42.1	0	0	0	113.6	H1007 V1011 K1012 I1013 I1022 L1083	H1007-D1009 IonicContact CE1-OD2 3.32Å; H1007-D1009 PolarHBondContact CE1-OD2 2.73Å; H1007-D1009 VanDerWaalsContact CE1-OD2 3.32Å; H1007-D1009 WeakPolarHBondContact ND1-CB 3.45Å; H1007-D1009 PolarHBondContact ND1-N 3.32Å; H1007-D1009 VanDerWaalsContact ND1-N 3.14Å; H1007-D1009 IonicContact ND1-OD2 3.87Å; H1007-D1009 PolarHBondContact O-N 3.45Å; H1007-D1009 VanDerWaalsContact O-N 3.15Å; D1009-V1011 VanDerWaalsContact C-N 3.26Å; D1009-V1011 PolarHBondContact O-N 2.82Å; D1009-K1012 PolarHBondContact O-N 3.44Å; D1009-K1012 WeakPolarHBondContact OD1-CD 3.27Å; D1009-K1012 WeakPolarHBondContact OD1-CE 3.24Å; D1009-K1012 IonicContact OD1-NZ 2.78Å; D1009-K1012 PolarHBondContact OD1-NZ 2.9Å; D1009-I1013 VanDerWaalsContact O-CB 3.22Å; D1009-I1013 WeakPolarHBondContact O-CB 3.46Å; D1009-I1013 WeakPolarHBondContact O-CG1 3.5Å; D1009-I1013 PolarHBondContact O-N 3.08Å; D1009-I1022 HydrophobicContact CB-CD1 4.41Å; D1009-L1083 HydrophobicContact CB-CD2 4.36Å
1010	A	65.7	Low	62.9	Low	0 Å²	0	62 Å²	62	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-36.3	174.9	0	0	0	0	0	111.4	L1005 H1007 F1014 L1083	L1005-A1010 HydrophobicContact CB-CB 4.39Å; H1007-A1010 HydrophobicContact CB-CB 3.93Å; H1007-A1010 WeakPolarHBondContact O-CB 3.35Å; H1007-A1010 PolarHBondContact O-N 3.32Å; A1010-F1014 PolarHBondContact O-N 2.92Å; A1010-L1083 HydrophobicContact CB-CD1 4.12Å
1011	V	63.3	Low	60.8	Low	36 Å²	36	61.8 Å²	61.8	22%	0.218	36%	0.362	C	S	.	.	H	α-helix	trans	-81.3	-32.2	175.5	-173	0	0	0	0	111.6	H1003 D1009 I1013 F1014 T1015	H1003-V1011 HydrophobicContact CB-CG2 3.87Å; H1003-V1011 WeakPolarHBondContact ND1-CG2 3.25Å; D1009-V1011 VanDerWaalsContact C-N 3.26Å; D1009-V1011 PolarHBondContact O-N 2.82Å; V1011-I1013 VanDerWaalsContact C-N 3.32Å; V1011-F1014 VanDerWaalsContact C-N 3.31Å; V1011-F1014 CarbonylContact O-C 3.52Å; V1011-F1014 VanDerWaalsContact O-CA 3.23Å; V1011-F1014 WeakPolarHBondContact O-CA 3.28Å; V1011-F1014 VanDerWaalsContact O-CB 3.25Å; V1011-F1014 WeakPolarHBondContact O-CB 3.49Å; V1011-F1014 PolarHBondContact O-N 3.47Å; V1011-T1015 HydrophobicContact CG1-CG2 3.98Å; V1011-T1015 WeakPolarHBondContact O-CG2 3.3Å; V1011-T1015 PolarHBondContact O-N 2.87Å; V1011-T1015 PolarHBondContact O-OG1 2.76Å
1012	K	58.1	Low	58.7	Low	68 Å²	68	66 Å²	66	30%	0.296	38%	0.383	S	S	.	.	H	α-helix	trans	-67.5	-38.5	173.4	-62.9	-176.2	-160.6	153.6	0	111.3	D1009 F1014 T1015 G1016 A1019	D1009-K1012 PolarHBondContact O-N 3.44Å; D1009-K1012 WeakPolarHBondContact OD1-CD 3.27Å; D1009-K1012 WeakPolarHBondContact OD1-CE 3.24Å; D1009-K1012 IonicContact OD1-NZ 2.78Å; D1009-K1012 PolarHBondContact OD1-NZ 2.9Å; K1012-F1014 VanDerWaalsContact C-N 3.28Å; K1012-T1015 PolarHBondContact O-N 3.34Å; K1012-G1016 PolarHBondContact O-N 3.12Å; K1012-A1019 HydrophobicContact CD-CB 3.65Å
1013	I	55.8	Low	56.5	Low	19 Å²	19	74.8 Å²	74.8	10%	0.097	42%	0.424	C	S	.	.	H	α-helix	trans	-55.8	-49.9	162.6	-71.2	-174.1	0	0	0	107	D1009 V1011 T1015 L1030 S1032 F1033 A1034 L1076 L1080 L1083	D1009-I1013 VanDerWaalsContact O-CB 3.22Å; D1009-I1013 WeakPolarHBondContact O-CB 3.46Å; D1009-I1013 WeakPolarHBondContact O-CG1 3.5Å; D1009-I1013 PolarHBondContact O-N 3.08Å; V1011-I1013 VanDerWaalsContact C-N 3.32Å; I1013-T1015 PolarHBondContact O-N 3.41Å; I1013-L1030 HydrophobicContact CD1-CD2 3.86Å; I1013-S1032 CarbonylContact O-C 3.53Å; I1013-S1032 VanDerWaalsContact O-CA 3.24Å; I1013-S1032 WeakPolarHBondContact O-CA 3.38Å; I1013-S1032 WeakPolarHBondContact O-CB 3.28Å; I1013-F1033 HydrophobicContact CG2-CB 3.6Å; I1013-F1033 VanDerWaalsContact CG2-N 3.35Å; I1013-F1033 VanDerWaalsContact O-CA 3.31Å; I1013-F1033 WeakPolarHBondContact O-CA 3.45Å; I1013-F1033 VanDerWaalsContact O-CB 3.26Å; I1013-F1033 WeakPolarHBondContact O-CB 3.46Å; I1013-F1033 PolarHBondContact O-N 3.06Å; I1013-A1034 PolarHBondContact O-N 3.01Å; I1013-L1076 HydrophobicContact CG2-CD1 4.46Å; I1013-L1080 HydrophobicContact CG2-CD2 4.31Å; I1013-L1083 HydrophobicContact CD1-CD1 3.52Å; I1013-L1083 HydrophobicContact CD1-CD2 3.85Å; I1013-L1083 HydrophobicContact CD1-CG 3.76Å
1014	F	48.6	Very low	54.4	Low	20 Å²	20	74 Å²	74	9%	0.088	43%	0.432	C	S	.	.	H	α-helix	trans	-57.9	-40.5	176.7	-145.4	-78.6	0	0	0	117	L999 C1002 A1010 V1011 K1012 F1033 A1034	L999-F1014 HydrophobicContact CB-CD1 3.88Å; L999-F1014 HydrophobicContact CB-CD2 4.3Å; L999-F1014 HydrophobicContact CB-CE1 3.23Å; L999-F1014 HydrophobicContact CB-CE2 3.71Å; L999-F1014 HydrophobicContact CB-CG 4.35Å; L999-F1014 HydrophobicContact CB-CZ 3.11Å; L999-F1014 HydrophobicContact CD1-CB 3.76Å; L999-F1014 HydrophobicContact CD1-CD1 2.99Å; L999-F1014 HydrophobicContact CD1-CD2 3.78Å; L999-F1014 HydrophobicContact CD1-CE1 3.42Å; L999-F1014 VanDerWaalsContact CD1-CE1 3.42Å; L999-F1014 HydrophobicContact CD1-CE2 4.12Å; L999-F1014 HydrophobicContact CD1-CG 3.18Å; L999-F1014 HydrophobicContact CD1-CZ 3.95Å; L999-F1014 HydrophobicContact CD2-CD1 3.72Å; L999-F1014 HydrophobicContact CD2-CE1 3.49Å; L999-F1014 VanDerWaalsContact CD2-CE1 3.49Å; L999-F1014 HydrophobicContact CD2-CZ 4.3Å; L999-F1014 HydrophobicContact CG-CD1 3.6Å; L999-F1014 HydrophobicContact CG-CE1 3.44Å; L999-F1014 VanDerWaalsContact CG-CE1 3.44Å; L999-F1014 HydrophobicContact CG-CE2 4.39Å; L999-F1014 HydrophobicContact CG-CG 4.14Å; L999-F1014 HydrophobicContact CG-CZ 3.85Å; C1002-F1014 HydrophobicContact CB-CD2 3.51Å; C1002-F1014 HydrophobicContact CB-CE2 4.06Å; C1002-F1014 HydrophobicContact CB-CG 4.44Å; A1010-F1014 PolarHBondContact O-N 2.92Å; V1011-F1014 VanDerWaalsContact C-N 3.31Å; V1011-F1014 CarbonylContact O-C 3.52Å; V1011-F1014 VanDerWaalsContact O-CA 3.23Å; V1011-F1014 WeakPolarHBondContact O-CA 3.28Å; V1011-F1014 VanDerWaalsContact O-CB 3.25Å; V1011-F1014 WeakPolarHBondContact O-CB 3.49Å; V1011-F1014 PolarHBondContact O-N 3.47Å; K1012-F1014 VanDerWaalsContact C-N 3.28Å; F1014-F1033 AromaticContact CD1-CD1 3.83Å; F1014-F1033 HydrophobicContact CD1-CD1 3.83Å; F1014-F1033 HydrophobicContact CD1-CE1 4Å; F1014-F1033 HydrophobicContact CD2-CB 4.43Å; F1014-F1033 AromaticContact CD2-CD1 3.53Å; F1014-F1033 HydrophobicContact CD2-CD1 3.53Å; F1014-F1033 AromaticContact CD2-CD2 3.74Å; F1014-F1033 HydrophobicContact CD2-CD2 3.74Å; F1014-F1033 AromaticContact CD2-CE1 3.76Å; F1014-F1033 HydrophobicContact CD2-CE1 3.76Å; F1014-F1033 AromaticContact CD2-CE2 3.83Å; F1014-F1033 HydrophobicContact CD2-CE2 3.83Å; F1014-F1033 AromaticContact CD2-CG 3.65Å; F1014-F1033 HydrophobicContact CD2-CG 3.65Å; F1014-F1033 AromaticContact CD2-CZ 3.93Å; F1014-F1033 HydrophobicContact CD2-CZ 3.93Å; F1014-F1033 AromaticContact CE1-CD1 3.75Å; F1014-F1033 HydrophobicContact CE1-CD1 3.75Å; F1014-F1033 AromaticContact CE1-CE1 3.41Å; F1014-F1033 HydrophobicContact CE1-CE1 3.41Å; F1014-F1033 VanDerWaalsContact CE1-CE1 3.41Å; F1014-F1033 HydrophobicContact CE1-CZ 4.09Å; F1014-F1033 AromaticContact CE2-CD1 3.45Å; F1014-F1033 HydrophobicContact CE2-CD1 3.45Å; F1014-F1033 VanDerWaalsContact CE2-CD1 3.45Å; F1014-F1033 AromaticContact CE2-CD2 3.63Å; F1014-F1033 HydrophobicContact CE2-CD2 3.63Å; F1014-F1033 AromaticContact CE2-CE1 3.14Å; F1014-F1033 HydrophobicContact CE2-CE1 3.14Å; F1014-F1033 AromaticContact CE2-CE2 3.21Å; F1014-F1033 HydrophobicContact CE2-CE2 3.21Å; F1014-F1033 AromaticContact CE2-CG 3.79Å; F1014-F1033 HydrophobicContact CE2-CG 3.79Å; F1014-F1033 AromaticContact CE2-CZ 3.04Å; F1014-F1033 HydrophobicContact CE2-CZ 3.04Å; F1014-F1033 AromaticContact CG-CD1 3.75Å; F1014-F1033 HydrophobicContact CG-CD1 3.75Å; F1014-F1033 HydrophobicContact CG-CE1 4.17Å; F1014-F1033 HydrophobicContact CG-CG 4.14Å; F1014-F1033 AromaticContact CZ-CD1 3.57Å; F1014-F1033 HydrophobicContact CZ-CD1 3.57Å; F1014-F1033 HydrophobicContact CZ-CD2 4.45Å; F1014-F1033 AromaticContact CZ-CE1 2.95Å; F1014-F1033 HydrophobicContact CZ-CE1 2.95Å; F1014-F1033 AromaticContact CZ-CE2 3.86Å; F1014-F1033 HydrophobicContact CZ-CE2 3.86Å; F1014-F1033 HydrophobicContact CZ-CG 4.38Å; F1014-F1033 AromaticContact CZ-CZ 3.15Å; F1014-F1033 HydrophobicContact CZ-CZ 3.15Å; F1014-A1034 WeakPolarHBondContact O-CB 3.46Å; F1014-A1034 PolarHBondContact O-N 3.41Å
1015	T	48	Very low	52.1	Low	65 Å²	65	75.9 Å²	75.9	40%	0.399	43%	0.431	S	S	.	.	H	α-helix	trans	-100.6	-10	-166.3	55.8	0	0	0	0	115	V1011 K1012 I1013 M1017	V1011-T1015 HydrophobicContact CG1-CG2 3.98Å; V1011-T1015 WeakPolarHBondContact O-CG2 3.3Å; V1011-T1015 PolarHBondContact O-N 2.87Å; V1011-T1015 PolarHBondContact O-OG1 2.76Å; K1012-T1015 PolarHBondContact O-N 3.34Å; I1013-T1015 PolarHBondContact O-N 3.41Å; T1015-M1017 VanDerWaalsContact C-N 3.27Å; T1015-M1017 PolarHBondContact O-N 3.47Å
1016	G	43	Very low	49.7	Very low	36 Å²	36	79 Å²	79	37%	0.371	46%	0.457	S	S	.	.			trans	80.5	2.5	-178.8	0	0	0	0	0	115.7	K1012 R1018 S1032	K1012-G1016 PolarHBondContact O-N 3.12Å; G1016-R1018 PolarHBondContact O-N 3.09Å; G1016-R1018 VanDerWaalsContact O-N 3.12Å; G1016-S1032 WeakPolarHBondContact CA-OG 3.35Å
1017	M	40.3	Very low	47.6	Very low	135 Å²	135	79.3 Å²	79.3	67%	0.665	45%	0.449	S	S	*	.			trans	-69.1	112.5	171.5	-88	-174.2	-95.5	0	0	109.9	T1015 A1019	T1015-M1017 VanDerWaalsContact C-N 3.27Å; T1015-M1017 PolarHBondContact O-N 3.47Å; M1017-A1019 PolarHBondContact O-N 3.08Å
1018	R	38.9	Very low	45.7	Very low	248 Å²	248	86.8 Å²	86.8	94%	0.936	48%	0.484	S	S	*	.			trans	-49.4	111.2	164.8	-86.4	-177.2	172.1	136.3	-3.1	108	G1016 S1020	G1016-R1018 PolarHBondContact O-N 3.09Å; G1016-R1018 VanDerWaalsContact O-N 3.12Å; R1018-S1020 PolarHBondContact O-N 3.42Å; R1018-S1020 VanDerWaalsContact O-N 3.09Å
1019	A	37.3	Very low	44.5	Very low	24 Å²	24	84.5 Å²	84.5	20%	0.198	47%	0.469	C	S	.	.			trans	-67.6	107.8	168	0	0	0	0	0	107.1	K1012 M1017 S1021 I1022	K1012-A1019 HydrophobicContact CD-CB 3.65Å; M1017-A1019 PolarHBondContact O-N 3.08Å; A1019-S1021 PolarHBondContact O-N 2.98Å; A1019-I1022 HydrophobicContact CB-CD1 3.77Å; A1019-I1022 HydrophobicContact CB-CG1 3.81Å; A1019-I1022 PolarHBondContact O-N 2.86Å
1020	S	40.5	Very low	43.4	Very low	116 Å²	116	88 Å²	88	81%	0.811	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-4.7	173.8	42.1	0	0	0	0	114	R1018	R1018-S1020 PolarHBondContact O-N 3.42Å; R1018-S1020 VanDerWaalsContact O-N 3.09Å
1021	S	39.2	Very low	42.5	Very low	91 Å²	91	90.5 Å²	90.5	64%	0.636	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-0	-177.9	59	0	0	0	0	115.1	A1019	A1019-S1021 PolarHBondContact O-N 2.98Å
1022	I	39.8	Very low	41.9	Very low	96 Å²	96	89.5 Å²	89.5	49%	0.492	50%	0.499	S	S	.	.			trans	-108	59.2	179.3	-49.2	176.9	0	0	0	109.5	D1009 A1019	D1009-I1022 HydrophobicContact CB-CD1 4.41Å; A1019-I1022 HydrophobicContact CB-CD1 3.77Å; A1019-I1022 HydrophobicContact CB-CG1 3.81Å; A1019-I1022 PolarHBondContact O-N 2.86Å
1023	Q	35.1	Very low	41.9	Very low	184 Å²	184	86.6 Å²	86.6	86%	0.86	49%	0.486	S	S	*	.			trans	-98.4	3.9	-175.7	-150.4	161.2	9.3	0	0	113.6
1024	S	34.3	Very low	42	Very low	105 Å²	105	87 Å²	87	73%	0.734	49%	0.493	S	S	*	.	S	Bend	trans	-125	5.4	-170	67.3	0	0	0	0	117.4
1025	L	33.8	Very low	42.8	Very low	115 Å²	115	88.4 Å²	88.4	60%	0.602	50%	0.5	S	S	*	.	S	Bend	trans	-132.9	104.9	171.7	-86.2	101.1	0	0	0	112.1	K1088	L1025-K1088 HydrophobicContact CD2-CB 3.9Å; L1025-K1088 HydrophobicContact CD2-CG 4.27Å
1026	A	30	Very low	43.8	Very low	69 Å²	69	86.2 Å²	86.2	57%	0.57	49%	0.485	S	S	*	.			trans	60.8	102.1	148.1	0	0	0	0	0	118.5
1027	S	32.2	Very low	45.2	Very low	71 Å²	71	85.4 Å²	85.4	50%	0.497	47%	0.471	S	S	.	.			trans	46.8	100.7	141.4	66.5	0	0	0	0	117.7	T1029 N1090	S1027-T1029 PolarHBondContact O-N 3.13Å; S1027-T1029 PolarHBondContact O-OG1 2.93Å; S1027-N1090 PolarHBondContact OG-ND2 3.32Å
1028	E	38.6	Very low	46.9	Very low	207 Å²	207	83.4 Å²	83.4	97%	0.967	46%	0.462	S	S	*	.	S	Bend	trans	40.4	-3.9	143.5	-71.6	-178.4	157.9	0	0	122.9
1029	T	44.4	Very low	48.8	Very low	43 Å²	43	73.4 Å²	73.4	26%	0.264	43%	0.425	S	S	.	.			trans	-123.1	-12.5	-157.9	35.9	0	0	0	0	114.6	S1027 S1031 N1090 D1092	S1027-T1029 PolarHBondContact O-N 3.13Å; S1027-T1029 PolarHBondContact O-OG1 2.93Å; T1029-S1031 PolarHBondContact O-N 3.26Å; T1029-N1090 PolarHBondContact OG1-ND2 3.12Å; T1029-D1092 WeakPolarHBondContact CB-OD2 3.21Å; T1029-D1092 HydrophobicContact CG2-CB 4.49Å; T1029-D1092 PolarHBondContact OG1-OD2 2.89Å
1030	L	43.6	Very low	50.9	Low	101 Å²	101	73.1 Å²	73.1	53%	0.529	42%	0.421	S	S	.	.			trans	-83.6	57.1	170	-118.8	148.5	0	0	0	111.5	I1013 S1032	I1013-L1030 HydrophobicContact CD1-CD2 3.86Å; L1030-S1032 PolarHBondContact O-N 3.36Å
1031	S	47.9	Very low	53	Low	51 Å²	51	71.8 Å²	71.8	36%	0.357	40%	0.401	S	S	.	.			trans	-70	134.5	172.2	-152.4	0	0	0	0	110.1	T1029 E1035 Q1036	T1029-S1031 PolarHBondContact O-N 3.26Å; S1031-E1035 WeakPolarHBondContact OG-CB 3.18Å; S1031-E1035 WeakPolarHBondContact OG-CG 3.38Å; S1031-Q1036 WeakPolarHBondContact O-CG 3.42Å; S1031-Q1036 PolarHBondContact O-NE2 3.46Å
1032	S	51.5	Low	55.3	Low	16 Å²	16	72.5 Å²	72.5	11%	0.112	39%	0.39	C	S	.	.			trans	-40.3	145.3	179.6	71.8	0	0	0	0	112.8	I1013 G1016 L1030 A1034 E1035 Q1036	I1013-S1032 CarbonylContact O-C 3.53Å; I1013-S1032 VanDerWaalsContact O-CA 3.24Å; I1013-S1032 WeakPolarHBondContact O-CA 3.38Å; I1013-S1032 WeakPolarHBondContact O-CB 3.28Å; G1016-S1032 WeakPolarHBondContact CA-OG 3.35Å; L1030-S1032 PolarHBondContact O-N 3.36Å; S1032-A1034 PolarHBondContact O-N 3.1Å; S1032-A1034 VanDerWaalsContact O-N 3.15Å; S1032-E1035 CarbonylContact O-C 3.57Å; S1032-E1035 WeakPolarHBondContact O-CA 3.34Å; S1032-E1035 WeakPolarHBondContact O-CB 3.47Å; S1032-E1035 PolarHBondContact O-N 3.24Å; S1032-E1035 VanDerWaalsContact OG-CB 3.3Å; S1032-E1035 WeakPolarHBondContact OG-CB 3.5Å; S1032-E1035 PolarHBondContact OG-N 3.21Å; S1032-Q1036 WeakPolarHBondContact O-CG 3.44Å; S1032-Q1036 PolarHBondContact O-N 3.42Å
1033	F	56.6	Low	57.6	Low	7 Å²	7	68 Å²	68	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-42.3	-40.5	164.9	165.7	-61.2	0	0	0	113.5	L955 I1013 F1014 E1035 Q1036 M1037 L1076	L955-F1033 HydrophobicContact CD1-CD2 4.23Å; L955-F1033 HydrophobicContact CD1-CE2 3.27Å; L955-F1033 HydrophobicContact CD1-CZ 3.84Å; L955-F1033 HydrophobicContact CD2-CE2 3.84Å; L955-F1033 HydrophobicContact CD2-CZ 3.5Å; L955-F1033 HydrophobicContact CG-CE2 4.12Å; L955-F1033 HydrophobicContact CG-CZ 4.27Å; I1013-F1033 HydrophobicContact CG2-CB 3.6Å; I1013-F1033 VanDerWaalsContact CG2-N 3.35Å; I1013-F1033 VanDerWaalsContact O-CA 3.31Å; I1013-F1033 WeakPolarHBondContact O-CA 3.45Å; I1013-F1033 VanDerWaalsContact O-CB 3.26Å; I1013-F1033 WeakPolarHBondContact O-CB 3.46Å; I1013-F1033 PolarHBondContact O-N 3.06Å; F1014-F1033 AromaticContact CD1-CD1 3.83Å; F1014-F1033 HydrophobicContact CD1-CD1 3.83Å; F1014-F1033 HydrophobicContact CD1-CE1 4Å; F1014-F1033 HydrophobicContact CD2-CB 4.43Å; F1014-F1033 AromaticContact CD2-CD1 3.53Å; F1014-F1033 HydrophobicContact CD2-CD1 3.53Å; F1014-F1033 AromaticContact CD2-CD2 3.74Å; F1014-F1033 HydrophobicContact CD2-CD2 3.74Å; F1014-F1033 AromaticContact CD2-CE1 3.76Å; F1014-F1033 HydrophobicContact CD2-CE1 3.76Å; F1014-F1033 AromaticContact CD2-CE2 3.83Å; F1014-F1033 HydrophobicContact CD2-CE2 3.83Å; F1014-F1033 AromaticContact CD2-CG 3.65Å; F1014-F1033 HydrophobicContact CD2-CG 3.65Å; F1014-F1033 AromaticContact CD2-CZ 3.93Å; F1014-F1033 HydrophobicContact CD2-CZ 3.93Å; F1014-F1033 AromaticContact CE1-CD1 3.75Å; F1014-F1033 HydrophobicContact CE1-CD1 3.75Å; F1014-F1033 AromaticContact CE1-CE1 3.41Å; F1014-F1033 HydrophobicContact CE1-CE1 3.41Å; F1014-F1033 VanDerWaalsContact CE1-CE1 3.41Å; F1014-F1033 HydrophobicContact CE1-CZ 4.09Å; F1014-F1033 AromaticContact CE2-CD1 3.45Å; F1014-F1033 HydrophobicContact CE2-CD1 3.45Å; F1014-F1033 VanDerWaalsContact CE2-CD1 3.45Å; F1014-F1033 AromaticContact CE2-CD2 3.63Å; F1014-F1033 HydrophobicContact CE2-CD2 3.63Å; F1014-F1033 AromaticContact CE2-CE1 3.14Å; F1014-F1033 HydrophobicContact CE2-CE1 3.14Å; F1014-F1033 AromaticContact CE2-CE2 3.21Å; F1014-F1033 HydrophobicContact CE2-CE2 3.21Å; F1014-F1033 AromaticContact CE2-CG 3.79Å; F1014-F1033 HydrophobicContact CE2-CG 3.79Å; F1014-F1033 AromaticContact CE2-CZ 3.04Å; F1014-F1033 HydrophobicContact CE2-CZ 3.04Å; F1014-F1033 AromaticContact CG-CD1 3.75Å; F1014-F1033 HydrophobicContact CG-CD1 3.75Å; F1014-F1033 HydrophobicContact CG-CE1 4.17Å; F1014-F1033 HydrophobicContact CG-CG 4.14Å; F1014-F1033 AromaticContact CZ-CD1 3.57Å; F1014-F1033 HydrophobicContact CZ-CD1 3.57Å; F1014-F1033 HydrophobicContact CZ-CD2 4.45Å; F1014-F1033 AromaticContact CZ-CE1 2.95Å; F1014-F1033 HydrophobicContact CZ-CE1 2.95Å; F1014-F1033 AromaticContact CZ-CE2 3.86Å; F1014-F1033 HydrophobicContact CZ-CE2 3.86Å; F1014-F1033 HydrophobicContact CZ-CG 4.38Å; F1014-F1033 AromaticContact CZ-CZ 3.15Å; F1014-F1033 HydrophobicContact CZ-CZ 3.15Å; F1033-E1035 VanDerWaalsContact C-N 3.34Å; F1033-Q1036 PolarHBondContact O-N 3.26Å; F1033-M1037 HydrophobicContact CD1-CG 3.91Å; F1033-M1037 HydrophobicContact CE1-CB 4.38Å; F1033-M1037 HydrophobicContact CE1-CG 3.32Å; F1033-M1037 HydrophobicContact CE1-SD 4.45Å; F1033-M1037 HydrophobicContact CE2-CG 4.45Å; F1033-M1037 HydrophobicContact CZ-CG 3.62Å; F1033-M1037 HydrophobicContact CZ-SD 4.17Å; F1033-M1037 WeakPolarHBondContact O-CB 3.39Å; F1033-M1037 WeakPolarHBondContact O-CG 3.35Å; F1033-M1037 PolarHBondContact O-N 2.94Å; F1033-L1076 HydrophobicContact CB-CD1 3.72Å; F1033-L1076 HydrophobicContact CD2-CD1 3.64Å; F1033-L1076 HydrophobicContact CD2-CD2 3.49Å; F1033-L1076 VanDerWaalsContact CD2-CD2 3.49Å; F1033-L1076 HydrophobicContact CD2-CG 4.19Å; F1033-L1076 HydrophobicContact CE2-CD2 3.77Å; F1033-L1076 HydrophobicContact CG-CD1 4.13Å; F1033-L1076 HydrophobicContact CG-CD2 4.4Å
1034	A	59.4	Low	60.1	Low	28 Å²	28	60 Å²	60	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-48	175.3	0	0	0	0	0	110.4	I1013 F1014 S1032 Q1036 M1037 M1038	I1013-A1034 PolarHBondContact O-N 3.01Å; F1014-A1034 WeakPolarHBondContact O-CB 3.46Å; F1014-A1034 PolarHBondContact O-N 3.41Å; S1032-A1034 PolarHBondContact O-N 3.1Å; S1032-A1034 VanDerWaalsContact O-N 3.15Å; A1034-Q1036 VanDerWaalsContact C-N 3.35Å; A1034-Q1036 PolarHBondContact O-N 3.49Å; A1034-M1037 PolarHBondContact O-N 3.48Å; A1034-M1038 WeakPolarHBondContact O-CB 3.42Å; A1034-M1038 VanDerWaalsContact O-CG 3.26Å; A1034-M1038 WeakPolarHBondContact O-CG 3.4Å; A1034-M1038 PolarHBondContact O-N 3.46Å
1035	E	64.9	Low	62.8	Low	49 Å²	49	56.7 Å²	56.7	23%	0.229	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-42.7	173.4	-172	68.6	-167.6	0	0	111	S1031 S1032 F1033 M1037 M1038 Q1039 R1042	S1031-E1035 WeakPolarHBondContact OG-CB 3.18Å; S1031-E1035 WeakPolarHBondContact OG-CG 3.38Å; S1032-E1035 CarbonylContact O-C 3.57Å; S1032-E1035 WeakPolarHBondContact O-CA 3.34Å; S1032-E1035 WeakPolarHBondContact O-CB 3.47Å; S1032-E1035 PolarHBondContact O-N 3.24Å; S1032-E1035 VanDerWaalsContact OG-CB 3.3Å; S1032-E1035 WeakPolarHBondContact OG-CB 3.5Å; S1032-E1035 PolarHBondContact OG-N 3.21Å; F1033-E1035 VanDerWaalsContact C-N 3.34Å; E1035-M1037 VanDerWaalsContact C-N 3.33Å; E1035-M1037 PolarHBondContact O-N 3.42Å; E1035-M1038 CarbonylContact O-C 3.58Å; E1035-M1038 WeakPolarHBondContact O-CA 3.36Å; E1035-M1038 WeakPolarHBondContact O-CB 3.22Å; E1035-M1038 PolarHBondContact O-N 3.34Å; E1035-M1038 VanDerWaalsContact O-N 3.08Å; E1035-Q1039 HydrophobicContact CG-CG 4.12Å; E1035-Q1039 WeakPolarHBondContact O-CB 3.33Å; E1035-Q1039 VanDerWaalsContact O-CG 3.22Å; E1035-Q1039 WeakPolarHBondContact O-CG 3.42Å; E1035-Q1039 PolarHBondContact O-N 2.91Å; E1035-Q1039 PolarHBondContact OE1-NE2 3.1Å; E1035-R1042 IonicContact OE1-CZ 3.89Å; E1035-R1042 IonicContact OE1-NH1 3.35Å; E1035-R1042 PolarHBondContact OE1-NH1 2.98Å; E1035-R1042 IonicContact OE2-NH1 3.92Å
1036	Q	68	Low	65.5	Low	19 Å²	19	53 Å²	53	9%	0.089	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-38.6	178.2	-63.4	-63.3	-12.5	0	0	112.1	S1031 S1032 F1033 A1034 Q1039 L1040	S1031-Q1036 WeakPolarHBondContact O-CG 3.42Å; S1031-Q1036 PolarHBondContact O-NE2 3.46Å; S1032-Q1036 WeakPolarHBondContact O-CG 3.44Å; S1032-Q1036 PolarHBondContact O-N 3.42Å; F1033-Q1036 PolarHBondContact O-N 3.26Å; A1034-Q1036 VanDerWaalsContact C-N 3.35Å; A1034-Q1036 PolarHBondContact O-N 3.49Å; Q1036-Q1039 PolarHBondContact O-N 3.4Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.33Å; Q1036-L1040 PolarHBondContact O-N 3.23Å
1037	M	73.9	Confident	68.4	Low	18 Å²	18	50.4 Å²	50.4	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-68.2	-36.9	172.8	-72.5	-56.7	-60.2	0	0	111.2	L955 Y995 F1033 A1034 E1035 L1040 H1041 L1073	L955-M1037 HydrophobicContact CD2-SD 4.29Å; Y995-M1037 HydrophobicContact CD1-CE 3.76Å; Y995-M1037 HydrophobicContact CE1-CE 3.39Å; F1033-M1037 HydrophobicContact CD1-CG 3.91Å; F1033-M1037 HydrophobicContact CE1-CB 4.38Å; F1033-M1037 HydrophobicContact CE1-CG 3.32Å; F1033-M1037 HydrophobicContact CE1-SD 4.45Å; F1033-M1037 HydrophobicContact CE2-CG 4.45Å; F1033-M1037 HydrophobicContact CZ-CG 3.62Å; F1033-M1037 HydrophobicContact CZ-SD 4.17Å; F1033-M1037 WeakPolarHBondContact O-CB 3.39Å; F1033-M1037 WeakPolarHBondContact O-CG 3.35Å; F1033-M1037 PolarHBondContact O-N 2.94Å; A1034-M1037 PolarHBondContact O-N 3.48Å; E1035-M1037 VanDerWaalsContact C-N 3.33Å; E1035-M1037 PolarHBondContact O-N 3.42Å; M1037-L1040 HydrophobicContact CE-CD2 3.86Å; M1037-L1040 WeakPolarHBondContact O-CB 2.95Å; M1037-L1040 PolarHBondContact O-N 3.37Å; M1037-L1040 HydrophobicContact SD-CD2 4.1Å; M1037-H1041 PolarHBondContact O-N 3.4Å; M1037-H1041 VanDerWaalsContact O-N 3.13Å; M1037-H1041 PolarHBondContact O-ND1 3.17Å; M1037-L1073 HydrophobicContact SD-CD1 4.48Å
1038	M	75.4	Confident	71	Confident	93 Å²	93	48.9 Å²	48.9	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-66.2	-41.4	172.6	-71.4	174.8	67.4	0	0	111.5	A1034 E1035 H1041 R1042	A1034-M1038 WeakPolarHBondContact O-CB 3.42Å; A1034-M1038 VanDerWaalsContact O-CG 3.26Å; A1034-M1038 WeakPolarHBondContact O-CG 3.4Å; A1034-M1038 PolarHBondContact O-N 3.46Å; E1035-M1038 CarbonylContact O-C 3.58Å; E1035-M1038 WeakPolarHBondContact O-CA 3.36Å; E1035-M1038 WeakPolarHBondContact O-CB 3.22Å; E1035-M1038 PolarHBondContact O-N 3.34Å; E1035-M1038 VanDerWaalsContact O-N 3.08Å; M1038-H1041 CarbonylContact O-C 3.53Å; M1038-H1041 PolarHBondContact O-N 3.49Å; M1038-R1042 WeakPolarHBondContact O-CB 3.33Å; M1038-R1042 VanDerWaalsContact O-CG 3.3Å; M1038-R1042 WeakPolarHBondContact O-CG 3.39Å; M1038-R1042 PolarHBondContact O-N 2.89Å
1039	Q	77.8	Confident	73.2	Confident	38 Å²	38	44.9 Å²	44.9	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-42	174.8	-66.8	-64.1	-9.1	0	0	110.6	E1035 Q1036 H1041 R1042 G1043 K1068	E1035-Q1039 HydrophobicContact CG-CG 4.12Å; E1035-Q1039 WeakPolarHBondContact O-CB 3.33Å; E1035-Q1039 VanDerWaalsContact O-CG 3.22Å; E1035-Q1039 WeakPolarHBondContact O-CG 3.42Å; E1035-Q1039 PolarHBondContact O-N 2.91Å; E1035-Q1039 PolarHBondContact OE1-NE2 3.1Å; Q1036-Q1039 PolarHBondContact O-N 3.4Å; Q1039-H1041 VanDerWaalsContact C-N 3.31Å; Q1039-H1041 PolarHBondContact O-N 3.47Å; Q1039-R1042 PolarHBondContact O-N 3.27Å; Q1039-R1042 VanDerWaalsContact O-N 3.13Å; Q1039-G1043 PolarHBondContact O-N 3.36Å; Q1039-K1068 CarbonylContact C-O 3.57Å; Q1039-K1068 HydrophobicContact CB-CB 4.5Å; Q1039-K1068 CarbonylContact O-C 3.54Å; Q1039-K1068 WeakPolarHBondContact O-CB 3.48Å; Q1039-K1068 VanDerWaalsContact O-O 3.1Å
1040	L	81.9	Confident	75.3	Confident	19 Å²	19	43.6 Å²	43.6	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-53.7	-48.4	172.9	178.3	71.8	0	0	0	111.1	Q1036 M1037 Q1044 K1068 K1069 L1073	Q1036-L1040 WeakPolarHBondContact O-CB 3.33Å; Q1036-L1040 PolarHBondContact O-N 3.23Å; M1037-L1040 HydrophobicContact CE-CD2 3.86Å; M1037-L1040 WeakPolarHBondContact O-CB 2.95Å; M1037-L1040 PolarHBondContact O-N 3.37Å; M1037-L1040 HydrophobicContact SD-CD2 4.1Å; L1040-Q1044 WeakPolarHBondContact O-CB 3.36Å; L1040-Q1044 PolarHBondContact O-N 3.06Å; L1040-K1068 WeakPolarHBondContact CA-O 3.41Å; L1040-K1068 PolarHBondContact N-O 3Å; L1040-K1068 VanDerWaalsContact N-O 3.1Å; L1040-K1069 HydrophobicContact CD1-CG 4.41Å; L1040-K1069 WeakPolarHBondContact CD1-O 3.29Å; L1040-L1073 HydrophobicContact CD2-CD1 4.21Å
1041	H	85.1	Confident	77.1	Confident	87 Å²	87	39.7 Å²	39.7	40%	0.403	20%	0.203	S	C	.	.	H	α-helix	trans	-72.6	-32	178.2	-69.6	79.7	0	0	0	112.9	M1037 M1038 Q1039 G1045	M1037-H1041 PolarHBondContact O-N 3.4Å; M1037-H1041 VanDerWaalsContact O-N 3.13Å; M1037-H1041 PolarHBondContact O-ND1 3.17Å; M1038-H1041 CarbonylContact O-C 3.53Å; M1038-H1041 PolarHBondContact O-N 3.49Å; Q1039-H1041 VanDerWaalsContact C-N 3.31Å; Q1039-H1041 PolarHBondContact O-N 3.47Å; H1041-G1045 PolarHBondContact O-N 3.28Å
1042	R	86.5	Confident	78.4	Confident	107 Å²	107	41.2 Å²	41.2	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-65	-46.1	173	-75.9	173.2	-179.6	147.6	1.1	111	E1035 M1038 Q1039 G1045 M1046	E1035-R1042 IonicContact OE1-CZ 3.89Å; E1035-R1042 IonicContact OE1-NH1 3.35Å; E1035-R1042 PolarHBondContact OE1-NH1 2.98Å; E1035-R1042 IonicContact OE2-NH1 3.92Å; M1038-R1042 WeakPolarHBondContact O-CB 3.33Å; M1038-R1042 VanDerWaalsContact O-CG 3.3Å; M1038-R1042 WeakPolarHBondContact O-CG 3.39Å; M1038-R1042 PolarHBondContact O-N 2.89Å; Q1039-R1042 PolarHBondContact O-N 3.27Å; Q1039-R1042 VanDerWaalsContact O-N 3.13Å; R1042-G1045 PolarHBondContact O-N 3.43Å; R1042-M1046 WeakPolarHBondContact O-CG 3.22Å; R1042-M1046 PolarHBondContact O-N 2.71Å
1043	G	88.7	Confident	79.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-44.9	174.8	0	0	0	0	0	111.9	Q1039 G1045 M1046 D1047 M1065	Q1039-G1043 PolarHBondContact O-N 3.36Å; G1043-G1045 VanDerWaalsContact C-N 3.32Å; G1043-G1045 PolarHBondContact O-N 3.03Å; G1043-M1046 WeakPolarHBondContact O-CB 3.49Å; G1043-M1046 PolarHBondContact O-N 3.17Å; G1043-D1047 PolarHBondContact O-N 2.75Å; G1043-D1047 VanDerWaalsContact O-N 3.16Å; G1043-M1065 VanDerWaalsContact O-CG 3.29Å; G1043-M1065 WeakPolarHBondContact O-CG 3.43Å
1044	Q	88.2	Confident	80.2	Confident	17 Å²	17	43 Å²	43	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-42.6	172.7	-171.1	70.4	2.6	0	0	112.1	D963 E966 L1040 M1046 D1047 I1048 K1069	D963-Q1044 PolarHBondContact OD1-NE2 3.31Å; E966-Q1044 WeakPolarHBondContact OE2-CG 3.26Å; E966-Q1044 PolarHBondContact OE2-NE2 3.07Å; L1040-Q1044 WeakPolarHBondContact O-CB 3.36Å; L1040-Q1044 PolarHBondContact O-N 3.06Å; Q1044-M1046 VanDerWaalsContact C-N 3.34Å; Q1044-M1046 PolarHBondContact O-N 3.19Å; Q1044-D1047 PolarHBondContact O-N 3.41Å; Q1044-I1048 HydrophobicContact CG-CD1 3.98Å; Q1044-I1048 WeakPolarHBondContact O-CG1 3.17Å; Q1044-I1048 PolarHBondContact O-N 3Å; Q1044-K1069 VanDerWaalsContact OE1-CD 3.31Å
1045	G	90.1	Very high	81	Confident	36 Å²	36	45 Å²	45	37%	0.371	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-36.9	176	0	0	0	0	0	113.2	H1041 R1042 G1043 F1049	H1041-G1045 PolarHBondContact O-N 3.28Å; R1042-G1045 PolarHBondContact O-N 3.43Å; G1043-G1045 VanDerWaalsContact C-N 3.32Å; G1043-G1045 PolarHBondContact O-N 3.03Å; G1045-F1049 WeakPolarHBondContact O-CB 3.47Å; G1045-F1049 PolarHBondContact O-N 3.37Å
1046	M	91.9	Very high	81.9	Confident	36 Å²	36	44.1 Å²	44.1	18%	0.177	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-47.6	173.6	-68.5	168.4	74.9	0	0	111.3	R1042 G1043 Q1044 F1049 W1050 M1065 K1068	R1042-M1046 WeakPolarHBondContact O-CG 3.22Å; R1042-M1046 PolarHBondContact O-N 2.71Å; G1043-M1046 WeakPolarHBondContact O-CB 3.49Å; G1043-M1046 PolarHBondContact O-N 3.17Å; Q1044-M1046 VanDerWaalsContact C-N 3.34Å; Q1044-M1046 PolarHBondContact O-N 3.19Å; M1046-F1049 PolarHBondContact O-N 3.39Å; M1046-W1050 HydrophobicContact CB-CH2 4.08Å; M1046-W1050 HydrophobicContact CB-CZ2 4Å; M1046-W1050 HydrophobicContact CB-CZ3 4.41Å; M1046-W1050 HydrophobicContact CE-CH2 3.82Å; M1046-W1050 HydrophobicContact CE-CZ2 3.66Å; M1046-W1050 PolarHBondContact O-N 3.34Å; M1046-M1065 HydrophobicContact CB-CB 4.3Å; M1046-M1065 HydrophobicContact CB-CG 4.06Å; M1046-M1065 HydrophobicContact CE-CB 4.13Å; M1046-M1065 HydrophobicContact SD-CB 4.29Å; M1046-K1068 HydrophobicContact SD-CD 3.91Å
1047	D	89.4	Confident	82.9	Confident	15 Å²	15	43.4 Å²	43.4	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-46.7	178.4	-165.3	13.5	0	0	0	111.5	G1043 Q1044 W1050 R1051 M1065 K1069	G1043-D1047 PolarHBondContact O-N 2.75Å; G1043-D1047 VanDerWaalsContact O-N 3.16Å; Q1044-D1047 PolarHBondContact O-N 3.41Å; D1047-W1050 PolarHBondContact O-N 3.38Å; D1047-R1051 WeakPolarHBondContact O-CB 3.14Å; D1047-R1051 PolarHBondContact O-N 3.34Å; D1047-M1065 HydrophobicContact CB-CG 4.39Å; D1047-M1065 HydrophobicContact CB-SD 4.41Å; D1047-K1069 IonicContact OD2-NZ 2.7Å; D1047-K1069 PolarHBondContact OD2-NZ 3.09Å
1048	I	86.4	Confident	83.7	Confident	39 Å²	39	45.3 Å²	45.3	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-45.2	175.4	-69.4	169.3	0	0	0	111.5	E966 Q1044 W1050 R1051 D1052	E966-I1048 HydrophobicContact CB-CD1 4.23Å; E966-I1048 HydrophobicContact CG-CD1 4.34Å; Q1044-I1048 HydrophobicContact CG-CD1 3.98Å; Q1044-I1048 WeakPolarHBondContact O-CG1 3.17Å; Q1044-I1048 PolarHBondContact O-N 3Å; I1048-W1050 PolarHBondContact O-N 2.97Å; I1048-R1051 PolarHBondContact O-N 3.19Å; I1048-D1052 WeakPolarHBondContact CG2-OD2 3.48Å; I1048-D1052 WeakPolarHBondContact O-CB 3.14Å; I1048-D1052 PolarHBondContact O-N 3.33Å
1049	F	86.7	Confident	84.5	Confident	123 Å²	123	42 Å²	42	54%	0.539	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-46.5	179.7	172.5	-99.6	0	0	0	111.1	G1045 M1046 D1052 S1053	G1045-F1049 WeakPolarHBondContact O-CB 3.47Å; G1045-F1049 PolarHBondContact O-N 3.37Å; M1046-F1049 PolarHBondContact O-N 3.39Å; F1049-D1052 PolarHBondContact O-N 3.19Å; F1049-S1053 WeakPolarHBondContact O-CB 3.41Å; F1049-S1053 PolarHBondContact O-N 3.33Å; F1049-S1053 PolarHBondContact O-OG 3.36Å
1050	W	87.1	Confident	85.2	Confident	16 Å²	16	46.4 Å²	46.4	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-45.7	177	-61.1	-31.8	0	0	0	111.7	M1046 D1047 I1048 D1052 V1054 T1055 P1057 K1061 Y1062 M1065 F1132	M1046-W1050 HydrophobicContact CB-CH2 4.08Å; M1046-W1050 HydrophobicContact CB-CZ2 4Å; M1046-W1050 HydrophobicContact CB-CZ3 4.41Å; M1046-W1050 HydrophobicContact CE-CH2 3.82Å; M1046-W1050 HydrophobicContact CE-CZ2 3.66Å; M1046-W1050 PolarHBondContact O-N 3.34Å; D1047-W1050 PolarHBondContact O-N 3.38Å; I1048-W1050 PolarHBondContact O-N 2.97Å; W1050-D1052 PolarHBondContact O-N 3.39Å; W1050-V1054 CarbonylContact O-C 3.54Å; W1050-V1054 WeakPolarHBondContact O-CA 3.46Å; W1050-V1054 PolarHBondContact O-N 2.93Å; W1050-T1055 WeakPolarHBondContact CB-O 3.44Å; W1050-T1055 PolarHBondContact O-N 3.11Å; W1050-P1057 HydrophobicContact CD2-CB 3.76Å; W1050-P1057 HydrophobicContact CD2-CG 3.82Å; W1050-P1057 HydrophobicContact CE3-CB 3.9Å; W1050-P1057 HydrophobicContact CE3-CG 3.61Å; W1050-P1057 HydrophobicContact CG-CB 4.43Å; W1050-P1057 HydrophobicContact CG-CG 4.41Å; W1050-P1057 HydrophobicContact CH2-CB 3.77Å; W1050-P1057 HydrophobicContact CH2-CG 4.22Å; W1050-P1057 HydrophobicContact CZ2-CB 3.67Å; W1050-P1057 HydrophobicContact CZ2-CG 4.45Å; W1050-P1057 HydrophobicContact CZ3-CB 3.9Å; W1050-P1057 HydrophobicContact CZ3-CG 3.82Å; W1050-K1061 HydrophobicContact CH2-CB 4.26Å; W1050-K1061 WeakPolarHBondContact CH2-O 3.39Å; W1050-K1061 HydrophobicContact CZ2-CB 4.02Å; W1050-Y1062 HydrophobicContact CZ3-CD2 4.49Å; W1050-M1065 HydrophobicContact CH2-CB 3.54Å; W1050-M1065 HydrophobicContact CH2-CG 4.15Å; W1050-M1065 HydrophobicContact CZ3-CB 3.69Å; W1050-M1065 HydrophobicContact CZ3-CE 4.26Å; W1050-M1065 HydrophobicContact CZ3-CG 3.85Å; W1050-F1132 HydrophobicContact CB-CD2 4.02Å; W1050-F1132 HydrophobicContact CB-CE2 4.48Å; W1050-F1132 WeakPolarHBondContact O-CE2 3.2Å
1051	R	81	Confident	85.7	Confident	19 Å²	19	50.9 Å²	50.9	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-48.1	175.7	-179.7	-167.7	72.8	-170.7	0.3	112.5	E966 D967 D1047 I1048 E1129 G1130	E966-R1051 PolarHBondContact O-NH1 3.25Å; D967-R1051 IonicContact OD1-NH1 3.48Å; D967-R1051 PolarHBondContact OD1-NH1 2.92Å; D1047-R1051 WeakPolarHBondContact O-CB 3.14Å; D1047-R1051 PolarHBondContact O-N 3.34Å; I1048-R1051 PolarHBondContact O-N 3.19Å; R1051-E1129 WeakPolarHBondContact CD-O 3.3Å; R1051-G1130 WeakPolarHBondContact CG-O 3.42Å
1052	D	76.3	Confident	86.1	Confident	84 Å²	84	47 Å²	47	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-86.5	-33.9	-170.1	-66.1	-11.2	0	0	0	113.1	I1048 F1049 W1050 V1054	I1048-D1052 WeakPolarHBondContact CG2-OD2 3.48Å; I1048-D1052 WeakPolarHBondContact O-CB 3.14Å; I1048-D1052 PolarHBondContact O-N 3.33Å; F1049-D1052 PolarHBondContact O-N 3.19Å; W1050-D1052 PolarHBondContact O-N 3.39Å; D1052-V1054 VanDerWaalsContact C-N 3.3Å
1053	S	72.4	Confident	86.5	Confident	43 Å²	43	43.3 Å²	43.3	30%	0.301	23%	0.229	S	C	.	.	H	α-helix	trans	-78.6	-16.9	170.3	69.8	0	0	0	0	113	F1049 T1055	F1049-S1053 WeakPolarHBondContact O-CB 3.41Å; F1049-S1053 PolarHBondContact O-N 3.33Å; F1049-S1053 PolarHBondContact O-OG 3.36Å; S1053-T1055 VanDerWaalsContact C-N 3.28Å; S1053-T1055 PolarHBondContact O-N 2.96Å; S1053-T1055 WeakPolarHBondContact OG-CB 3.38Å; S1053-T1055 PolarHBondContact OG-N 2.84Å; S1053-T1055 PolarHBondContact OG-OG1 2.71Å
1054	V	72.6	Confident	86.7	Confident	18 Å²	18	47.3 Å²	47.3	11%	0.109	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	38.4	-174.6	-157.8	0	0	0	0	113	W1050 D1052 F1132 A1168 L1171 R1172	W1050-V1054 CarbonylContact O-C 3.54Å; W1050-V1054 WeakPolarHBondContact O-CA 3.46Å; W1050-V1054 PolarHBondContact O-N 2.93Å; D1052-V1054 VanDerWaalsContact C-N 3.3Å; V1054-F1132 HydrophobicContact CG1-CE2 4.42Å; V1054-F1132 HydrophobicContact CG1-CZ 4.07Å; V1054-A1168 HydrophobicContact CB-CB 3.52Å; V1054-A1168 HydrophobicContact CG1-CB 3.94Å; V1054-A1168 HydrophobicContact CG2-CB 3.7Å; V1054-A1168 WeakPolarHBondContact CG2-O 3.35Å; V1054-L1171 HydrophobicContact CG1-CB 4.4Å; V1054-L1171 HydrophobicContact CG1-CD1 4.04Å; V1054-R1172 HydrophobicContact CG2-CG 4.19Å
1055	T	77	Confident	86.9	Confident	70 Å²	70	46.6 Å²	46.6	43%	0.429	25%	0.245	S	C	.	.			trans	-97.4	113.1	176.3	-52	0	0	0	0	109.1	W1050 S1053 P1057	W1050-T1055 WeakPolarHBondContact CB-O 3.44Å; W1050-T1055 PolarHBondContact O-N 3.11Å; S1053-T1055 VanDerWaalsContact C-N 3.28Å; S1053-T1055 PolarHBondContact O-N 2.96Å; S1053-T1055 WeakPolarHBondContact OG-CB 3.38Å; S1053-T1055 PolarHBondContact OG-N 2.84Å; S1053-T1055 PolarHBondContact OG-OG1 2.71Å; T1055-P1057 WeakPolarHBondContact O-CD 3.43Å
1056	C	83.5	Confident	87	Confident	30 Å²	30	44.9 Å²	44.9	20%	0.203	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-69.2	123.9	176.8	-172.3	0	0	0	0	110.2	F1132 V1140	C1056-F1132 HydrophobicContact CB-CD1 4.06Å; C1056-F1132 HydrophobicContact CB-CE1 3.59Å; C1056-F1132 HydrophobicContact CB-CZ 4.08Å; C1056-V1140 HydrophobicContact CB-CB 4.49Å; C1056-V1140 HydrophobicContact CB-CG1 3.83Å
1057	P	88.8	Confident	86.8	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.026	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-71.6	160.5	174.5	31.7	-37.1	0	0	0	111.7	W1050 T1055 K1061 I1137	W1050-P1057 HydrophobicContact CD2-CB 3.76Å; W1050-P1057 HydrophobicContact CD2-CG 3.82Å; W1050-P1057 HydrophobicContact CE3-CB 3.9Å; W1050-P1057 HydrophobicContact CE3-CG 3.61Å; W1050-P1057 HydrophobicContact CG-CB 4.43Å; W1050-P1057 HydrophobicContact CG-CG 4.41Å; W1050-P1057 HydrophobicContact CH2-CB 3.77Å; W1050-P1057 HydrophobicContact CH2-CG 4.22Å; W1050-P1057 HydrophobicContact CZ2-CB 3.67Å; W1050-P1057 HydrophobicContact CZ2-CG 4.45Å; W1050-P1057 HydrophobicContact CZ3-CB 3.9Å; W1050-P1057 HydrophobicContact CZ3-CG 3.82Å; T1055-P1057 WeakPolarHBondContact O-CD 3.43Å; P1057-K1061 HydrophobicContact CB-CB 4.1Å; P1057-I1137 HydrophobicContact CG-CD1 3.64Å; P1057-I1137 HydrophobicContact CG-CG1 4.02Å; P1057-I1137 WeakPolarHBondContact O-CG2 3.48Å
1058	T	90.8	Very high	86.7	Confident	58 Å²	58	47.1 Å²	47.1	36%	0.356	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-72.6	165.4	163	73.5	0	0	0	0	110.2	E1060 K1061 Y1062	T1058-E1060 VanDerWaalsContact C-N 3.26Å; T1058-E1060 WeakPolarHBondContact CB-OE2 3.41Å; T1058-E1060 PolarHBondContact O-N 2.83Å; T1058-E1060 PolarHBondContact OG1-OE2 3.06Å; T1058-K1061 PolarHBondContact O-N 3.28Å; T1058-K1061 PolarHBondContact OG1-N 3.49Å; T1058-Y1062 WeakPolarHBondContact O-CB 2.98Å; T1058-Y1062 PolarHBondContact O-N 2.82Å
1059	E	91.5	Very high	86.7	Confident	23 Å²	23	46.4 Å²	46.4	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-37.7	176.9	-67.3	-164.1	-172.3	0	0	111.8	Y1062 F1063 Y1134 H1138 Y1196	E1059-Y1062 PolarHBondContact O-N 2.79Å; E1059-F1063 HydrophobicContact CB-CE2 4.41Å; E1059-F1063 HydrophobicContact CB-CZ 4.26Å; E1059-F1063 WeakPolarHBondContact O-CD1 3.19Å; E1059-F1063 WeakPolarHBondContact O-CD2 3.46Å; E1059-F1063 VanDerWaalsContact O-CG 3.26Å; E1059-F1063 WeakPolarHBondContact O-CG 3.43Å; E1059-F1063 PolarHBondContact O-N 3.21Å; E1059-Y1134 HydrophobicContact CB-CE2 4.37Å; E1059-Y1134 VanDerWaalsContact CD-OH 3.23Å; E1059-Y1134 HydrophobicContact CG-CE2 3.98Å; E1059-Y1134 PolarHBondContact OE1-OH 2.78Å; E1059-Y1134 PolarHBondContact OE2-OH 2.67Å; E1059-H1138 IonicContact OE1-CD2 3.26Å; E1059-Y1196 VanDerWaalsContact OE1-CE1 3.26Å; E1059-Y1196 WeakPolarHBondContact OE1-CE1 3.39Å; E1059-Y1196 PolarHBondContact OE1-OH 3.33Å; E1059-Y1196 PolarHBondContact OE2-OH 3.35Å
1060	E	92.4	Very high	86.5	Confident	130 Å²	130	41.6 Å²	41.6	61%	0.607	21%	0.213	S	C	*	.	H	α-helix	trans	-65	-46.5	179.1	-56.6	70.6	-149.3	0	0	111.3	T1058 Y1062 F1063 E1064	T1058-E1060 VanDerWaalsContact C-N 3.26Å; T1058-E1060 WeakPolarHBondContact CB-OE2 3.41Å; T1058-E1060 PolarHBondContact O-N 2.83Å; T1058-E1060 PolarHBondContact OG1-OE2 3.06Å; E1060-Y1062 VanDerWaalsContact C-N 3.29Å; E1060-Y1062 PolarHBondContact O-N 3.34Å; E1060-F1063 PolarHBondContact O-N 3.01Å; E1060-E1064 PolarHBondContact O-N 2.58Å
1061	K	93.5	Very high	86.1	Confident	114 Å²	114	40.8 Å²	40.8	50%	0.496	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-39.6	175.5	-76.6	-170.6	176.3	-179.9	0	111.2	W1050 P1057 T1058 E1064 M1065	W1050-K1061 HydrophobicContact CH2-CB 4.26Å; W1050-K1061 WeakPolarHBondContact CH2-O 3.39Å; W1050-K1061 HydrophobicContact CZ2-CB 4.02Å; P1057-K1061 HydrophobicContact CB-CB 4.1Å; T1058-K1061 PolarHBondContact O-N 3.28Å; T1058-K1061 PolarHBondContact OG1-N 3.49Å; K1061-E1064 WeakPolarHBondContact O-CB 3.39Å; K1061-E1064 PolarHBondContact O-N 2.95Å; K1061-M1065 PolarHBondContact O-N 2.99Å
1062	Y	94.2	Very high	86.1	Confident	4 Å²	4	40 Å²	40	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-39.7	175.5	179.1	-96.3	0	0	0	111.8	W1050 T1058 E1059 E1060 M1065 I1066 Q1103 I1104 D1107 Y1134 I1137	W1050-Y1062 HydrophobicContact CZ3-CD2 4.49Å; T1058-Y1062 WeakPolarHBondContact O-CB 2.98Å; T1058-Y1062 PolarHBondContact O-N 2.82Å; E1059-Y1062 PolarHBondContact O-N 2.79Å; E1060-Y1062 VanDerWaalsContact C-N 3.29Å; E1060-Y1062 PolarHBondContact O-N 3.34Å; Y1062-M1065 HydrophobicContact CD2-CE 3.57Å; Y1062-M1065 HydrophobicContact CE2-CE 3.46Å; Y1062-M1065 VanDerWaalsContact CE2-CE 3.46Å; Y1062-M1065 HydrophobicContact CG-CE 4.39Å; Y1062-M1065 PolarHBondContact O-N 3.16Å; Y1062-I1066 HydrophobicContact CD1-CD1 3.68Å; Y1062-I1066 HydrophobicContact CD1-CG1 4.44Å; Y1062-I1066 HydrophobicContact CE1-CD1 3.19Å; Y1062-I1066 HydrophobicContact CE1-CG1 4.09Å; Y1062-I1066 WeakPolarHBondContact O-CG1 3.47Å; Y1062-I1066 PolarHBondContact O-N 2.94Å; Y1062-Q1103 WeakPolarHBondContact OH-CG 3.37Å; Y1062-I1104 HydrophobicContact CE1-CG1 4.13Å; Y1062-D1107 VanDerWaalsContact OH-CG 3.26Å; Y1062-D1107 PolarHBondContact OH-OD2 3.4Å; Y1062-Y1134 AromaticContact CD1-CD2 3.68Å; Y1062-Y1134 HydrophobicContact CD1-CD2 3.68Å; Y1062-Y1134 HydrophobicContact CD1-CE2 4.42Å; Y1062-Y1134 AromaticContact CE1-CD2 3.69Å; Y1062-Y1134 HydrophobicContact CE1-CD2 3.69Å; Y1062-Y1134 HydrophobicContact CE1-CG 4.2Å; Y1062-I1137 HydrophobicContact CD1-CD1 4.36Å; Y1062-I1137 HydrophobicContact CD2-CD1 3.22Å; Y1062-I1137 HydrophobicContact CE2-CD1 3.82Å; Y1062-I1137 HydrophobicContact CG-CD1 3.55Å
1063	F	93.9	Very high	86.3	Confident	30 Å²	30	36.3 Å²	36.3	13%	0.132	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-41.1	173.2	-59.7	-22.5	0	0	0	112.7	E1059 E1060 M1065 I1066 I1067 I1100 I1104 Y1134	E1059-F1063 HydrophobicContact CB-CE2 4.41Å; E1059-F1063 HydrophobicContact CB-CZ 4.26Å; E1059-F1063 WeakPolarHBondContact O-CD1 3.19Å; E1059-F1063 WeakPolarHBondContact O-CD2 3.46Å; E1059-F1063 VanDerWaalsContact O-CG 3.26Å; E1059-F1063 WeakPolarHBondContact O-CG 3.43Å; E1059-F1063 PolarHBondContact O-N 3.21Å; E1060-F1063 PolarHBondContact O-N 3.01Å; F1063-M1065 VanDerWaalsContact C-N 3.32Å; F1063-M1065 PolarHBondContact O-N 3.41Å; F1063-I1066 HydrophobicContact CD1-CD1 4.43Å; F1063-I1066 PolarHBondContact O-N 3.21Å; F1063-I1066 VanDerWaalsContact O-N 3.14Å; F1063-I1067 WeakPolarHBondContact O-CG1 3.29Å; F1063-I1067 PolarHBondContact O-N 3.02Å; F1063-I1100 HydrophobicContact CB-CD1 4.17Å; F1063-I1100 HydrophobicContact CD1-CG2 3.86Å; F1063-I1100 HydrophobicContact CE1-CG2 4.09Å; F1063-I1100 HydrophobicContact CG-CD1 4.4Å; F1063-I1100 HydrophobicContact CG-CG2 4.45Å; F1063-I1104 HydrophobicContact CD1-CD1 4.5Å; F1063-I1104 HydrophobicContact CE1-CD1 3.78Å; F1063-Y1134 HydrophobicContact CE1-CD2 4.24Å; F1063-Y1134 AromaticContact CE1-CE2 3.61Å; F1063-Y1134 HydrophobicContact CE1-CE2 3.61Å; F1063-Y1134 AromaticContact CZ-CE2 3.89Å; F1063-Y1134 HydrophobicContact CZ-CE2 3.89Å
1064	E	92.4	Very high	86.8	Confident	84 Å²	84	34.3 Å²	34.3	39%	0.393	17%	0.173	S	C	.	.	H	α-helix	trans	-58.6	-44	174	-168.1	-167.1	165	0	0	111.4	E1060 K1061 I1066 I1067 K1068	E1060-E1064 PolarHBondContact O-N 2.58Å; K1061-E1064 WeakPolarHBondContact O-CB 3.39Å; K1061-E1064 PolarHBondContact O-N 2.95Å; E1064-I1066 VanDerWaalsContact C-N 3.33Å; E1064-I1066 PolarHBondContact O-N 2.97Å; E1064-I1067 PolarHBondContact O-N 2.92Å; E1064-K1068 HydrophobicContact CG-CD 4.33Å; E1064-K1068 WeakPolarHBondContact O-CB 3.47Å; E1064-K1068 WeakPolarHBondContact O-CG 3.19Å; E1064-K1068 PolarHBondContact O-N 2.9Å; E1064-K1068 WeakPolarHBondContact OE1-CE 3.38Å; E1064-K1068 IonicContact OE1-NZ 3.13Å; E1064-K1068 PolarHBondContact OE1-NZ 3.46Å
1065	M	93.1	Very high	87.3	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-43.5	174.1	176.1	-78	-66.9	0	0	111.5	G1043 M1046 D1047 W1050 K1061 Y1062 F1063 I1067 K1068 K1069	G1043-M1065 VanDerWaalsContact O-CG 3.29Å; G1043-M1065 WeakPolarHBondContact O-CG 3.43Å; M1046-M1065 HydrophobicContact CB-CB 4.3Å; M1046-M1065 HydrophobicContact CB-CG 4.06Å; M1046-M1065 HydrophobicContact CE-CB 4.13Å; M1046-M1065 HydrophobicContact SD-CB 4.29Å; D1047-M1065 HydrophobicContact CB-CG 4.39Å; D1047-M1065 HydrophobicContact CB-SD 4.41Å; W1050-M1065 HydrophobicContact CH2-CB 3.54Å; W1050-M1065 HydrophobicContact CH2-CG 4.15Å; W1050-M1065 HydrophobicContact CZ3-CB 3.69Å; W1050-M1065 HydrophobicContact CZ3-CE 4.26Å; W1050-M1065 HydrophobicContact CZ3-CG 3.85Å; K1061-M1065 PolarHBondContact O-N 2.99Å; Y1062-M1065 HydrophobicContact CD2-CE 3.57Å; Y1062-M1065 HydrophobicContact CE2-CE 3.46Å; Y1062-M1065 VanDerWaalsContact CE2-CE 3.46Å; Y1062-M1065 HydrophobicContact CG-CE 4.39Å; Y1062-M1065 PolarHBondContact O-N 3.16Å; F1063-M1065 VanDerWaalsContact C-N 3.32Å; F1063-M1065 PolarHBondContact O-N 3.41Å; M1065-I1067 PolarHBondContact O-N 3.44Å; M1065-K1068 PolarHBondContact O-N 3.03Å; M1065-K1069 VanDerWaalsContact O-CB 3.27Å; M1065-K1069 WeakPolarHBondContact O-CB 3.45Å; M1065-K1069 PolarHBondContact O-N 3.2Å; M1065-K1069 HydrophobicContact SD-CB 4.13Å; M1065-K1069 HydrophobicContact SD-CD 3.89Å
1066	I	92	Very high	87.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-44.4	178.4	-66	168	0	0	0	111.5	Y1062 F1063 E1064 K1068 K1069 T1070 G1071 A1099 I1100 Q1103 I1104	Y1062-I1066 HydrophobicContact CD1-CD1 3.68Å; Y1062-I1066 HydrophobicContact CD1-CG1 4.44Å; Y1062-I1066 HydrophobicContact CE1-CD1 3.19Å; Y1062-I1066 HydrophobicContact CE1-CG1 4.09Å; Y1062-I1066 WeakPolarHBondContact O-CG1 3.47Å; Y1062-I1066 PolarHBondContact O-N 2.94Å; F1063-I1066 HydrophobicContact CD1-CD1 4.43Å; F1063-I1066 PolarHBondContact O-N 3.21Å; F1063-I1066 VanDerWaalsContact O-N 3.14Å; E1064-I1066 VanDerWaalsContact C-N 3.33Å; E1064-I1066 PolarHBondContact O-N 2.97Å; I1066-K1068 VanDerWaalsContact C-N 3.3Å; I1066-K1068 PolarHBondContact O-N 3.48Å; I1066-K1069 PolarHBondContact O-N 3.17Å; I1066-T1070 PolarHBondContact O-N 3.05Å; I1066-G1071 PolarHBondContact O-N 3.39Å; I1066-A1099 HydrophobicContact CG2-CB 4.14Å; I1066-A1099 WeakPolarHBondContact CG2-O 3.36Å; I1066-I1100 HydrophobicContact CG2-CG1 4.28Å; I1066-Q1103 HydrophobicContact CD1-CB 3.71Å; I1066-Q1103 HydrophobicContact CD1-CG 3.87Å; I1066-Q1103 HydrophobicContact CG1-CB 3.86Å; I1066-Q1103 HydrophobicContact CG1-CG 3.81Å; I1066-Q1103 HydrophobicContact CG2-CB 3.85Å; I1066-I1104 HydrophobicContact CD1-CG1 4.38Å
1067	I	88.4	Confident	87.5	Confident	48 Å²	48	29.8 Å²	29.8	25%	0.246	14%	0.144	C	C	.	.	I	π-helix	trans	-60	-44.9	178.4	-69.6	167.4	0	0	0	109.8	F1063 E1064 M1065 G1071 G1072 Q1096 I1100	F1063-I1067 WeakPolarHBondContact O-CG1 3.29Å; F1063-I1067 PolarHBondContact O-N 3.02Å; E1064-I1067 PolarHBondContact O-N 2.92Å; M1065-I1067 PolarHBondContact O-N 3.44Å; I1067-G1071 CarbonylContact O-C 3.56Å; I1067-G1071 WeakPolarHBondContact O-CA 3.21Å; I1067-G1071 PolarHBondContact O-N 3.41Å; I1067-G1072 PolarHBondContact O-N 3.49Å; I1067-Q1096 HydrophobicContact CG1-CB 4.26Å; I1067-Q1096 HydrophobicContact CG1-CG 4.35Å; I1067-Q1096 HydrophobicContact CG2-CG 4.07Å; I1067-I1100 HydrophobicContact CD1-CD1 4.35Å; I1067-I1100 HydrophobicContact CG1-CD1 4.41Å; I1067-I1100 HydrophobicContact CG1-CG1 4.46Å
1068	K	86.6	Confident	87.2	Confident	49 Å²	49	29.7 Å²	29.7	21%	0.213	14%	0.143	C	C	.	.	I	π-helix	trans	-67	-42.1	178.5	-71.5	178.4	170	171.4	0	112.7	Q1039 L1040 M1046 E1064 M1065 I1066	Q1039-K1068 CarbonylContact C-O 3.57Å; Q1039-K1068 HydrophobicContact CB-CB 4.5Å; Q1039-K1068 CarbonylContact O-C 3.54Å; Q1039-K1068 WeakPolarHBondContact O-CB 3.48Å; Q1039-K1068 VanDerWaalsContact O-O 3.1Å; L1040-K1068 WeakPolarHBondContact CA-O 3.41Å; L1040-K1068 PolarHBondContact N-O 3Å; L1040-K1068 VanDerWaalsContact N-O 3.1Å; M1046-K1068 HydrophobicContact SD-CD 3.91Å; E1064-K1068 HydrophobicContact CG-CD 4.33Å; E1064-K1068 WeakPolarHBondContact O-CB 3.47Å; E1064-K1068 WeakPolarHBondContact O-CG 3.19Å; E1064-K1068 PolarHBondContact O-N 2.9Å; E1064-K1068 WeakPolarHBondContact OE1-CE 3.38Å; E1064-K1068 IonicContact OE1-NZ 3.13Å; E1064-K1068 PolarHBondContact OE1-NZ 3.46Å; M1065-K1068 PolarHBondContact O-N 3.03Å; I1066-K1068 VanDerWaalsContact C-N 3.3Å; I1066-K1068 PolarHBondContact O-N 3.48Å
1069	K	86.3	Confident	86.7	Confident	24 Å²	24	27.2 Å²	27.2	10%	0.104	13%	0.129	C	C	.	.	I	π-helix	trans	-83.6	-75.5	-177.2	-177.5	173	168	163.5	0	112.4	D963 L1040 Q1044 D1047 M1065 I1066	D963-K1069 IonicContact OD1-NZ 3.53Å; L1040-K1069 HydrophobicContact CD1-CG 4.41Å; L1040-K1069 WeakPolarHBondContact CD1-O 3.29Å; Q1044-K1069 VanDerWaalsContact OE1-CD 3.31Å; D1047-K1069 IonicContact OD2-NZ 2.7Å; D1047-K1069 PolarHBondContact OD2-NZ 3.09Å; M1065-K1069 VanDerWaalsContact O-CB 3.27Å; M1065-K1069 WeakPolarHBondContact O-CB 3.45Å; M1065-K1069 PolarHBondContact O-N 3.2Å; M1065-K1069 HydrophobicContact SD-CB 4.13Å; M1065-K1069 HydrophobicContact SD-CD 3.89Å; I1066-K1069 PolarHBondContact O-N 3.17Å
1070	T	82.2	Confident	86.2	Confident	22 Å²	22	26.1 Å²	26.1	14%	0.135	12%	0.124	C	C	.	.	I	π-helix	trans	-77	-36.1	-175.2	-60.2	0	0	0	0	111.8	I1066 F1074 A1099 F1102 Q1103	I1066-T1070 PolarHBondContact O-N 3.05Å; T1070-F1074 HydrophobicContact CG2-CD2 4.27Å; T1070-F1074 HydrophobicContact CG2-CE2 3.72Å; T1070-F1074 HydrophobicContact CG2-CZ 4.15Å; T1070-A1099 HydrophobicContact CG2-CB 4.31Å; T1070-F1102 HydrophobicContact CG2-CD1 4.26Å; T1070-Q1103 PolarHBondContact OG1-OE1 2.77Å; T1070-Q1103 VanDerWaalsContact OG1-OE1 3.04Å
1071	G	80.2	Confident	85.9	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-64.4	-40.9	178.7	0	0	0	0	0	112.9	I1066 I1067 L1073 F1074 L1075	I1066-G1071 PolarHBondContact O-N 3.39Å; I1067-G1071 CarbonylContact O-C 3.56Å; I1067-G1071 WeakPolarHBondContact O-CA 3.21Å; I1067-G1071 PolarHBondContact O-N 3.41Å; G1071-L1073 VanDerWaalsContact C-N 3.33Å; G1071-L1073 PolarHBondContact O-N 2.88Å; G1071-F1074 PolarHBondContact O-N 3.47Å; G1071-L1075 WeakPolarHBondContact O-CB 3.28Å; G1071-L1075 WeakPolarHBondContact O-CG 3.35Å; G1071-L1075 PolarHBondContact O-N 2.94Å
1072	G	79.2	Confident	85.5	Confident	1 Å²	1	15 Å²	15	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-55.8	-42.3	-178.4	0	0	0	0	0	113.9	I1067 L1076	I1067-G1072 PolarHBondContact O-N 3.49Å; G1072-L1076 WeakPolarHBondContact O-CB 2.97Å; G1072-L1076 PolarHBondContact O-N 3.34Å
1073	L	80.8	Confident	85	Confident	8 Å²	8	16.1 Å²	16.1	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-74	-31.4	178.4	-137.1	86.1	0	0	0	113	R927 V952 L955 H956 M1037 L1040 G1071 S1077	R927-L1073 VanDerWaalsContact NE-CD2 3.35Å; V952-L1073 HydrophobicContact CG1-CD2 4.46Å; L955-L1073 HydrophobicContact CB-CD1 4.22Å; H956-L1073 HydrophobicContact CB-CD2 3.75Å; M1037-L1073 HydrophobicContact SD-CD1 4.48Å; L1040-L1073 HydrophobicContact CD2-CD1 4.21Å; G1071-L1073 VanDerWaalsContact C-N 3.33Å; G1071-L1073 PolarHBondContact O-N 2.88Å; L1073-S1077 PolarHBondContact O-N 2.9Å; L1073-S1077 VanDerWaalsContact O-N 3.13Å; L1073-S1077 PolarHBondContact O-OG 3.22Å
1074	F	84	Confident	84.6	Confident	1 Å²	1	16.8 Å²	16.8	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-72.7	-42.4	174.7	-66.3	-28.6	0	0	0	111.6	V926 R927 L930 T1070 G1071 L1076 S1077 V1078 V1095 F1098 A1099 F1102	V926-F1074 HydrophobicContact CG1-CZ 4.45Å; R927-F1074 HydrophobicContact CG-CD1 4.01Å; R927-F1074 HydrophobicContact CG-CE1 3.67Å; L930-F1074 HydrophobicContact CD2-CB 4.04Å; L930-F1074 HydrophobicContact CD2-CD1 3.65Å; L930-F1074 HydrophobicContact CD2-CE1 4.23Å; L930-F1074 HydrophobicContact CD2-CG 3.87Å; T1070-F1074 HydrophobicContact CG2-CD2 4.27Å; T1070-F1074 HydrophobicContact CG2-CE2 3.72Å; T1070-F1074 HydrophobicContact CG2-CZ 4.15Å; G1071-F1074 PolarHBondContact O-N 3.47Å; F1074-L1076 VanDerWaalsContact C-N 3.32Å; F1074-L1076 PolarHBondContact O-N 2.91Å; F1074-S1077 WeakPolarHBondContact O-CB 3.49Å; F1074-S1077 PolarHBondContact O-N 3.26Å; F1074-S1077 VanDerWaalsContact O-N 3.11Å; F1074-V1078 PolarHBondContact O-N 2.88Å; F1074-V1078 VanDerWaalsContact O-N 3.08Å; F1074-V1095 HydrophobicContact CB-CG1 3.48Å; F1074-V1095 VanDerWaalsContact CB-CG1 3.48Å; F1074-F1098 AromaticContact CD2-CD1 3.9Å; F1074-F1098 HydrophobicContact CD2-CD1 3.9Å; F1074-F1098 HydrophobicContact CD2-CE1 4.22Å; F1074-F1098 AromaticContact CE2-CD1 3.72Å; F1074-F1098 HydrophobicContact CE2-CD1 3.72Å; F1074-F1098 AromaticContact CE2-CE1 3.69Å; F1074-F1098 HydrophobicContact CE2-CE1 3.69Å; F1074-F1098 HydrophobicContact CZ-CD1 4.42Å; F1074-F1098 AromaticContact CZ-CE1 3.94Å; F1074-F1098 HydrophobicContact CZ-CE1 3.94Å; F1074-A1099 HydrophobicContact CD2-CB 3.93Å; F1074-A1099 HydrophobicContact CE2-CB 4.31Å; F1074-F1102 HydrophobicContact CE2-CB 4.47Å; F1074-F1102 HydrophobicContact CZ-CG 4.47Å
1075	L	83.3	Confident	84.2	Confident	15 Å²	15	13.1 Å²	13.1	8%	0.079	7%	0.066	C	C	.	.	H	α-helix	trans	-59.3	-44.2	173.2	-72.4	168.9	0	0	0	110.7	G1071 S1077 V1078 G1079 D1092 V1095 Q1096	G1071-L1075 WeakPolarHBondContact O-CB 3.28Å; G1071-L1075 WeakPolarHBondContact O-CG 3.35Å; G1071-L1075 PolarHBondContact O-N 2.94Å; L1075-S1077 VanDerWaalsContact C-N 3.29Å; L1075-S1077 PolarHBondContact O-N 3.45Å; L1075-V1078 PolarHBondContact O-N 3.12Å; L1075-G1079 PolarHBondContact O-N 3.35Å; L1075-D1092 HydrophobicContact CD2-CB 3.71Å; L1075-D1092 VanDerWaalsContact CD2-OD1 3.25Å; L1075-D1092 WeakPolarHBondContact CD2-OD1 3.25Å; L1075-V1095 HydrophobicContact CD2-CB 3.97Å; L1075-V1095 HydrophobicContact CD2-CG1 3.85Å; L1075-V1095 HydrophobicContact CG-CG1 3.98Å; L1075-Q1096 HydrophobicContact CD1-CG 4.18Å; L1075-Q1096 HydrophobicContact CD2-CG 4.44Å
1076	L	81	Confident	83.5	Confident	7 Å²	7	17.9 Å²	17.9	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-59	-40.8	174.4	178.2	64.7	0	0	0	112.5	L955 I1013 F1033 G1072 F1074 L1080	L955-L1076 HydrophobicContact CD1-CD2 3.46Å; L955-L1076 VanDerWaalsContact CD1-CD2 3.46Å; I1013-L1076 HydrophobicContact CG2-CD1 4.46Å; F1033-L1076 HydrophobicContact CB-CD1 3.72Å; F1033-L1076 HydrophobicContact CD2-CD1 3.64Å; F1033-L1076 HydrophobicContact CD2-CD2 3.49Å; F1033-L1076 VanDerWaalsContact CD2-CD2 3.49Å; F1033-L1076 HydrophobicContact CD2-CG 4.19Å; F1033-L1076 HydrophobicContact CE2-CD2 3.77Å; F1033-L1076 HydrophobicContact CG-CD1 4.13Å; F1033-L1076 HydrophobicContact CG-CD2 4.4Å; G1072-L1076 WeakPolarHBondContact O-CB 2.97Å; G1072-L1076 PolarHBondContact O-N 3.34Å; F1074-L1076 VanDerWaalsContact C-N 3.32Å; F1074-L1076 PolarHBondContact O-N 2.91Å; L1076-L1080 HydrophobicContact CD1-CD1 3.89Å; L1076-L1080 HydrophobicContact CD1-CG 3.85Å; L1076-L1080 HydrophobicContact CG-CD1 4Å; L1076-L1080 HydrophobicContact CG-CG 4.34Å; L1076-L1080 WeakPolarHBondContact O-CB 3.27Å; L1076-L1080 WeakPolarHBondContact O-CG 3.5Å; L1076-L1080 PolarHBondContact O-N 2.79Å
1077	S	83.4	Confident	82.8	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-46.3	-179.7	-56.3	0	0	0	0	111.6	V952 L1073 F1074 L1075 T1081	V952-S1077 WeakPolarHBondContact CG1-OG 3.42Å; V952-S1077 WeakPolarHBondContact CG2-OG 3.48Å; L1073-S1077 PolarHBondContact O-N 2.9Å; L1073-S1077 VanDerWaalsContact O-N 3.13Å; L1073-S1077 PolarHBondContact O-OG 3.22Å; F1074-S1077 WeakPolarHBondContact O-CB 3.49Å; F1074-S1077 PolarHBondContact O-N 3.26Å; F1074-S1077 VanDerWaalsContact O-N 3.11Å; L1075-S1077 VanDerWaalsContact C-N 3.29Å; L1075-S1077 PolarHBondContact O-N 3.45Å; S1077-T1081 PolarHBondContact O-N 2.71Å; S1077-T1081 PolarHBondContact O-OG1 2.82Å
1078	V	82.9	Confident	82.2	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-71.8	-44.9	178.9	179.9	0	0	0	0	110.4	F934 L938 F1074 L1075 L1080 T1081 Q1082 Y1091 V1095	F934-V1078 HydrophobicContact CD1-CG1 4.23Å; F934-V1078 HydrophobicContact CD1-CG2 4.35Å; F934-V1078 HydrophobicContact CD2-CG2 3.73Å; F934-V1078 HydrophobicContact CE1-CG1 4.44Å; F934-V1078 HydrophobicContact CE1-CG2 4.45Å; F934-V1078 HydrophobicContact CE2-CG2 3.84Å; F934-V1078 HydrophobicContact CG-CG2 4Å; F934-V1078 HydrophobicContact CZ-CG2 4.21Å; L938-V1078 HydrophobicContact CD1-CG1 4.45Å; F1074-V1078 PolarHBondContact O-N 2.88Å; F1074-V1078 VanDerWaalsContact O-N 3.08Å; L1075-V1078 PolarHBondContact O-N 3.12Å; V1078-L1080 PolarHBondContact O-N 2.88Å; V1078-T1081 CarbonylContact O-C 3.6Å; V1078-T1081 WeakPolarHBondContact O-CB 3.4Å; V1078-T1081 PolarHBondContact O-N 2.94Å; V1078-T1081 VanDerWaalsContact O-N 3.1Å; V1078-Q1082 HydrophobicContact CG1-CG 4.21Å; V1078-Q1082 WeakPolarHBondContact O-CG 3.25Å; V1078-Q1082 PolarHBondContact O-N 3.49Å; V1078-Y1091 HydrophobicContact CG1-CD2 4.17Å; V1078-V1095 HydrophobicContact CB-CG2 4.42Å; V1078-V1095 HydrophobicContact CG2-CG2 3.81Å
1079	G	80.1	Confident	81.6	Confident	6 Å²	6	23.6 Å²	23.6	6%	0.062	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-43.4	179.3	0	0	0	0	0	113.9	L1075 T1081 Q1082 L1083	L1075-G1079 PolarHBondContact O-N 3.35Å; G1079-T1081 VanDerWaalsContact C-N 3.32Å; G1079-T1081 PolarHBondContact O-N 3.37Å; G1079-Q1082 PolarHBondContact O-N 3.35Å; G1079-L1083 PolarHBondContact O-N 2.94Å
1080	L	81.5	Confident	81	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-37.9	173.8	-75.8	176.4	0	0	0	112.1	I948 I951 I1013 L1076 V1078 L1083 F1084	I948-L1080 HydrophobicContact CD1-CB 4.49Å; I948-L1080 WeakPolarHBondContact CD1-O 3.3Å; I948-L1080 HydrophobicContact CG1-CB 4.32Å; I948-L1080 HydrophobicContact CG2-CB 3.87Å; I948-L1080 HydrophobicContact CG2-CD1 4.46Å; I951-L1080 HydrophobicContact CG2-CD1 4.08Å; I1013-L1080 HydrophobicContact CG2-CD2 4.31Å; L1076-L1080 HydrophobicContact CD1-CD1 3.89Å; L1076-L1080 HydrophobicContact CD1-CG 3.85Å; L1076-L1080 HydrophobicContact CG-CD1 4Å; L1076-L1080 HydrophobicContact CG-CG 4.34Å; L1076-L1080 WeakPolarHBondContact O-CB 3.27Å; L1076-L1080 WeakPolarHBondContact O-CG 3.5Å; L1076-L1080 PolarHBondContact O-N 2.79Å; V1078-L1080 PolarHBondContact O-N 2.88Å; L1080-L1083 HydrophobicContact CD2-CD1 4.43Å; L1080-F1084 WeakPolarHBondContact O-CD2 3.34Å
1081	T	84.7	Confident	80.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-41.6	176.2	-50.2	0	0	0	0	110.1	L938 V940 L945 S1077 V1078 G1079 L1083 F1084 S1085	L938-T1081 HydrophobicContact CB-CG2 4.05Å; L938-T1081 HydrophobicContact CD1-CG2 3.5Å; L938-T1081 HydrophobicContact CG-CG2 4.43Å; V940-T1081 HydrophobicContact CB-CG2 4.23Å; V940-T1081 HydrophobicContact CG2-CG2 3.54Å; V940-T1081 WeakPolarHBondContact CG2-O 3.47Å; L945-T1081 HydrophobicContact CD1-CG2 3.8Å; S1077-T1081 PolarHBondContact O-N 2.71Å; S1077-T1081 PolarHBondContact O-OG1 2.82Å; V1078-T1081 CarbonylContact O-C 3.6Å; V1078-T1081 WeakPolarHBondContact O-CB 3.4Å; V1078-T1081 PolarHBondContact O-N 2.94Å; V1078-T1081 VanDerWaalsContact O-N 3.1Å; G1079-T1081 VanDerWaalsContact C-N 3.32Å; G1079-T1081 PolarHBondContact O-N 3.37Å; T1081-L1083 VanDerWaalsContact C-N 3.28Å; T1081-L1083 PolarHBondContact O-N 3Å; T1081-F1084 PolarHBondContact O-N 2.84Å; T1081-F1084 VanDerWaalsContact O-N 3.14Å; T1081-S1085 PolarHBondContact O-N 2.91Å
1082	Q	85.2	Confident	80.7	Confident	11 Å²	11	26.3 Å²	26.3	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-28.2	179.1	-77.5	-173.5	-62.5	0	0	114.3	L938 V1078 G1079 F1084 S1085 K1088 T1089	L938-Q1082 HydrophobicContact CD1-CG 3.72Å; L938-Q1082 HydrophobicContact CD2-CG 3.62Å; L938-Q1082 HydrophobicContact CG-CG 4.34Å; V1078-Q1082 HydrophobicContact CG1-CG 4.21Å; V1078-Q1082 WeakPolarHBondContact O-CG 3.25Å; V1078-Q1082 PolarHBondContact O-N 3.49Å; G1079-Q1082 PolarHBondContact O-N 3.35Å; Q1082-F1084 PolarHBondContact O-N 3.16Å; Q1082-S1085 PolarHBondContact O-N 3.37Å; Q1082-S1085 VanDerWaalsContact O-N 3.15Å; Q1082-K1088 PolarHBondContact O-NZ 3.37Å; Q1082-T1089 PolarHBondContact NE2-O 2.82Å
1083	L	83	Confident	80.6	Confident	26 Å²	26	30.9 Å²	30.9	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-55	-36.4	174.1	-79.1	-175.3	0	0	0	112.6	D1009 A1010 I1013 G1079 L1080 T1081	D1009-L1083 HydrophobicContact CB-CD2 4.36Å; A1010-L1083 HydrophobicContact CB-CD1 4.12Å; I1013-L1083 HydrophobicContact CD1-CD1 3.52Å; I1013-L1083 HydrophobicContact CD1-CD2 3.85Å; I1013-L1083 HydrophobicContact CD1-CG 3.76Å; G1079-L1083 PolarHBondContact O-N 2.94Å; L1080-L1083 HydrophobicContact CD2-CD1 4.43Å; T1081-L1083 VanDerWaalsContact C-N 3.28Å; T1081-L1083 PolarHBondContact O-N 3Å
1084	F	86	Confident	80.6	Confident	45 Å²	45	32.4 Å²	32.4	20%	0.197	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	8.3	-177.3	-59.8	-83.1	0	0	0	113.6	V940 K944 I948 L1005 H1007 L1080 T1081 Q1082	V940-F1084 HydrophobicContact CB-CB 4.41Å; V940-F1084 HydrophobicContact CG1-CB 3.61Å; V940-F1084 HydrophobicContact CG1-CG 4.45Å; V940-F1084 HydrophobicContact CG2-CB 4.03Å; K944-F1084 HydrophobicContact CB-CG 4.41Å; K944-F1084 HydrophobicContact CD-CD1 4.33Å; K944-F1084 HydrophobicContact CD-CE1 4.16Å; K944-F1084 HydrophobicContact CG-CD1 4.19Å; K944-F1084 HydrophobicContact CG-CG 4.48Å; I948-F1084 HydrophobicContact CD1-CD2 3.89Å; I948-F1084 HydrophobicContact CD1-CE2 4.27Å; L1005-F1084 HydrophobicContact CB-CE2 4.32Å; L1005-F1084 HydrophobicContact CB-CZ 3.77Å; L1005-F1084 HydrophobicContact CD1-CE2 4.11Å; L1005-F1084 HydrophobicContact CD1-CZ 4.39Å; L1005-F1084 HydrophobicContact CD2-CE2 4.42Å; L1005-F1084 HydrophobicContact CD2-CZ 4.41Å; L1005-F1084 HydrophobicContact CG-CZ 4.44Å; H1007-F1084 HydrophobicContact CB-CE1 3.9Å; H1007-F1084 HydrophobicContact CB-CZ 3.62Å; L1080-F1084 WeakPolarHBondContact O-CD2 3.34Å; T1081-F1084 PolarHBondContact O-N 2.84Å; T1081-F1084 VanDerWaalsContact O-N 3.14Å; Q1082-F1084 PolarHBondContact O-N 3.16Å
1085	S	84.3	Confident	80.4	Confident	6 Å²	6	32.4 Å²	32.4	4%	0.042	18%	0.18	C	C	.	.			trans	-104.1	144.5	-179.6	167.5	0	0	0	0	111.1	L938 T1081 Q1082 N1087 K1088	L938-S1085 VanDerWaalsContact CA-OG 3.3Å; L938-S1085 WeakPolarHBondContact CA-OG 3.47Å; L938-S1085 WeakPolarHBondContact CD2-OG 3.23Å; L938-S1085 WeakPolarHBondContact O-CA 3.24Å; L938-S1085 WeakPolarHBondContact O-CB 3.48Å; L938-S1085 PolarHBondContact O-OG 2.94Å; T1081-S1085 PolarHBondContact O-N 2.91Å; Q1082-S1085 PolarHBondContact O-N 3.37Å; Q1082-S1085 VanDerWaalsContact O-N 3.15Å; S1085-N1087 VanDerWaalsContact C-N 3.29Å; S1085-N1087 WeakPolarHBondContact OG-CA 3.43Å; S1085-N1087 WeakPolarHBondContact OG-CB 3.44Å; S1085-N1087 PolarHBondContact OG-N 3.15Å; S1085-N1087 PolarHBondContact OG-O 3.38Å; S1085-K1088 WeakPolarHBondContact O-CE 3.39Å; S1085-K1088 PolarHBondContact O-NZ 3.44Å
1086	A	79.3	Confident	80.5	Confident	103 Å²	103	34 Å²	34	85%	0.851	19%	0.187	S	C	*	.	S	Bend	trans	-71.9	-26.5	166.5	0	0	0	0	0	112.1	K1088	A1086-K1088 PolarHBondContact O-N 2.94Å
1087	N	76.6	Confident	80.7	Confident	42 Å²	42	35.9 Å²	35.9	23%	0.225	20%	0.195	C	C	.	.			trans	-78.1	118.2	175.7	-179.8	-13.8	0	0	0	110.6	L938 S1085 T1089 Y1091	L938-N1087 HydrophobicContact CD2-CB 4.15Å; S1085-N1087 VanDerWaalsContact C-N 3.29Å; S1085-N1087 WeakPolarHBondContact OG-CA 3.43Å; S1085-N1087 WeakPolarHBondContact OG-CB 3.44Å; S1085-N1087 PolarHBondContact OG-N 3.15Å; S1085-N1087 PolarHBondContact OG-O 3.38Å; N1087-T1089 VanDerWaalsContact OD1-CB 3.25Å; N1087-T1089 WeakPolarHBondContact OD1-CB 3.48Å; N1087-T1089 PolarHBondContact OD1-N 3.43Å; N1087-T1089 PolarHBondContact OD1-OG1 3.38Å; N1087-Y1091 PolarHBondContact ND2-OH 3.33Å
1088	K	76.6	Confident	80.8	Confident	101 Å²	101	36.7 Å²	36.7	44%	0.439	20%	0.199	S	C	.	.			trans	-113	20.9	-179.1	-55.1	-58.9	-177.7	-173.8	0	113.3	L1025 Q1082 S1085 A1086 N1090	L1025-K1088 HydrophobicContact CD2-CB 3.9Å; L1025-K1088 HydrophobicContact CD2-CG 4.27Å; Q1082-K1088 PolarHBondContact O-NZ 3.37Å; S1085-K1088 WeakPolarHBondContact O-CE 3.39Å; S1085-K1088 PolarHBondContact O-NZ 3.44Å; A1086-K1088 PolarHBondContact O-N 2.94Å; K1088-N1090 PolarHBondContact O-N 2.89Å
1089	T	73.8	Confident	80.9	Confident	75 Å²	75	36.6 Å²	36.6	46%	0.46	20%	0.198	S	C	.	.			trans	-58.4	134.8	176.8	-53.4	0	0	0	0	110.2	Q1082 N1087 Y1091	Q1082-T1089 PolarHBondContact NE2-O 2.82Å; N1087-T1089 VanDerWaalsContact OD1-CB 3.25Å; N1087-T1089 WeakPolarHBondContact OD1-CB 3.48Å; N1087-T1089 PolarHBondContact OD1-N 3.43Å; N1087-T1089 PolarHBondContact OD1-OG1 3.38Å; T1089-Y1091 HydrophobicContact CG2-CD1 4.48Å; T1089-Y1091 HydrophobicContact CG2-CE1 3.99Å; T1089-Y1091 VanDerWaalsContact O-CD2 3.25Å; T1089-Y1091 WeakPolarHBondContact O-CD2 3.43Å; T1089-Y1091 WeakPolarHBondContact O-CE2 3.47Å; T1089-Y1091 PolarHBondContact O-N 3.46Å
1090	N	72.8	Confident	81.4	Confident	67 Å²	67	37.2 Å²	37.2	36%	0.358	20%	0.199	S	C	.	.			trans	-73.2	116.8	175.3	-172.2	-20.7	0	0	0	109.6	S1027 T1029 K1088 D1092	S1027-N1090 PolarHBondContact OG-ND2 3.32Å; T1029-N1090 PolarHBondContact OG1-ND2 3.12Å; K1088-N1090 PolarHBondContact O-N 2.89Å; N1090-D1092 WeakPolarHBondContact OD1-CB 3.21Å; N1090-D1092 PolarHBondContact OD1-N 2.97Å; N1090-D1092 PolarHBondContact OD1-OD2 3.34Å
1091	Y	78.1	Confident	81.8	Confident	26 Å²	26	37.7 Å²	37.7	10%	0.102	20%	0.201	C	C	.	.			trans	-104.3	5.6	178.6	-66.1	-66	0	0	0	113.1	F934 L938 V1078 N1087 T1089 E1093 L1094 V1095	F934-Y1091 HydrophobicContact CD1-CD2 4.32Å; F934-Y1091 HydrophobicContact CD1-CG 4.3Å; F934-Y1091 AromaticContact CE1-CD1 3.88Å; F934-Y1091 HydrophobicContact CE1-CD1 3.88Å; F934-Y1091 HydrophobicContact CE1-CD2 4.2Å; F934-Y1091 HydrophobicContact CE1-CE1 4.46Å; F934-Y1091 AromaticContact CE1-CG 3.74Å; F934-Y1091 HydrophobicContact CE1-CG 3.74Å; L938-Y1091 HydrophobicContact CD2-CE2 3.91Å; V1078-Y1091 HydrophobicContact CG1-CD2 4.17Å; N1087-Y1091 PolarHBondContact ND2-OH 3.33Å; T1089-Y1091 HydrophobicContact CG2-CD1 4.48Å; T1089-Y1091 HydrophobicContact CG2-CE1 3.99Å; T1089-Y1091 VanDerWaalsContact O-CD2 3.25Å; T1089-Y1091 WeakPolarHBondContact O-CD2 3.43Å; T1089-Y1091 WeakPolarHBondContact O-CE2 3.47Å; T1089-Y1091 PolarHBondContact O-N 3.46Å; Y1091-E1093 PolarHBondContact O-N 3.37Å; Y1091-L1094 PolarHBondContact O-N 3.44Å; Y1091-V1095 VanDerWaalsContact O-CG2 3.29Å; Y1091-V1095 WeakPolarHBondContact O-CG2 3.13Å; Y1091-V1095 PolarHBondContact O-N 3.47Å
1092	D	77	Confident	81.9	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-40.1	-164.9	-64.5	-20.5	0	0	0	112	T1029 L1075 N1090 L1094 V1095 Q1096	T1029-D1092 WeakPolarHBondContact CB-OD2 3.21Å; T1029-D1092 HydrophobicContact CG2-CB 4.49Å; T1029-D1092 PolarHBondContact OG1-OD2 2.89Å; L1075-D1092 HydrophobicContact CD2-CB 3.71Å; L1075-D1092 VanDerWaalsContact CD2-OD1 3.25Å; L1075-D1092 WeakPolarHBondContact CD2-OD1 3.25Å; N1090-D1092 WeakPolarHBondContact OD1-CB 3.21Å; N1090-D1092 PolarHBondContact OD1-N 2.97Å; N1090-D1092 PolarHBondContact OD1-OD2 3.34Å; D1092-L1094 PolarHBondContact O-N 2.93Å; D1092-V1095 PolarHBondContact O-N 3.3Å; D1092-Q1096 VanDerWaalsContact O-CB 3.29Å; D1092-Q1096 WeakPolarHBondContact O-CB 3.46Å; D1092-Q1096 WeakPolarHBondContact O-CG 3.25Å; D1092-Q1096 PolarHBondContact O-N 2.69Å
1093	E	78.9	Confident	82.1	Confident	96 Å²	96	40.3 Å²	40.3	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-44.8	175.1	-168.6	-171.2	160.2	0	0	111.7	Y1091 Q1096 K1097	Y1091-E1093 PolarHBondContact O-N 3.37Å; E1093-Q1096 PolarHBondContact O-N 3.08Å; E1093-K1097 HydrophobicContact CG-CD 4.25Å; E1093-K1097 WeakPolarHBondContact O-CB 3.48Å; E1093-K1097 VanDerWaalsContact O-CG 3.28Å; E1093-K1097 WeakPolarHBondContact O-CG 3.4Å; E1093-K1097 PolarHBondContact O-N 3.26Å; E1093-K1097 VanDerWaalsContact OE1-CE 3.29Å; E1093-K1097 WeakPolarHBondContact OE1-CE 3.27Å; E1093-K1097 IonicContact OE1-NZ 3.83Å; E1093-K1097 PolarHBondContact OE1-NZ 3.23Å
1094	L	79.5	Confident	82.6	Confident	40 Å²	40	39 Å²	39	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-43.4	178.5	179.1	63.1	0	0	0	111.2	F934 Y1091 D1092 F1098 Y1208 F1225	F934-L1094 HydrophobicContact CZ-CD2 4.31Å; Y1091-L1094 PolarHBondContact O-N 3.44Å; D1092-L1094 PolarHBondContact O-N 2.93Å; L1094-F1098 WeakPolarHBondContact O-CB 3.46Å; L1094-F1098 PolarHBondContact O-N 3.27Å; L1094-Y1208 HydrophobicContact CD1-CD1 4.41Å; L1094-F1225 HydrophobicContact CD2-CE1 3.8Å; L1094-F1225 HydrophobicContact CD2-CE2 4.45Å; L1094-F1225 HydrophobicContact CD2-CZ 3.47Å; L1094-F1225 VanDerWaalsContact CD2-CZ 3.47Å
1095	V	80.8	Confident	82.7	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-42.7	179.4	174.9	0	0	0	0	111.5	F934 F1074 L1075 V1078 Y1091 D1092 F1098 A1099	F934-V1095 HydrophobicContact CE2-CG2 4.23Å; F934-V1095 HydrophobicContact CZ-CG2 3.82Å; F1074-V1095 HydrophobicContact CB-CG1 3.48Å; F1074-V1095 VanDerWaalsContact CB-CG1 3.48Å; L1075-V1095 HydrophobicContact CD2-CB 3.97Å; L1075-V1095 HydrophobicContact CD2-CG1 3.85Å; L1075-V1095 HydrophobicContact CG-CG1 3.98Å; V1078-V1095 HydrophobicContact CB-CG2 4.42Å; V1078-V1095 HydrophobicContact CG2-CG2 3.81Å; Y1091-V1095 VanDerWaalsContact O-CG2 3.29Å; Y1091-V1095 WeakPolarHBondContact O-CG2 3.13Å; Y1091-V1095 PolarHBondContact O-N 3.47Å; D1092-V1095 PolarHBondContact O-N 3.3Å; V1095-F1098 PolarHBondContact O-N 3.5Å; V1095-A1099 PolarHBondContact O-N 2.94Å
1096	Q	85.6	Confident	82.8	Confident	49 Å²	49	39 Å²	39	23%	0.229	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-49.8	177.5	-75.9	174.3	20.4	0	0	111.2	I1067 L1075 D1092 E1093 F1098 A1099 I1100	I1067-Q1096 HydrophobicContact CG1-CB 4.26Å; I1067-Q1096 HydrophobicContact CG1-CG 4.35Å; I1067-Q1096 HydrophobicContact CG2-CG 4.07Å; L1075-Q1096 HydrophobicContact CD1-CG 4.18Å; L1075-Q1096 HydrophobicContact CD2-CG 4.44Å; D1092-Q1096 VanDerWaalsContact O-CB 3.29Å; D1092-Q1096 WeakPolarHBondContact O-CB 3.46Å; D1092-Q1096 WeakPolarHBondContact O-CG 3.25Å; D1092-Q1096 PolarHBondContact O-N 2.69Å; E1093-Q1096 PolarHBondContact O-N 3.08Å; Q1096-F1098 VanDerWaalsContact C-N 3.28Å; Q1096-F1098 PolarHBondContact O-N 2.95Å; Q1096-A1099 WeakPolarHBondContact O-CB 3.31Å; Q1096-A1099 PolarHBondContact O-N 3.24Å; Q1096-A1099 VanDerWaalsContact O-N 3.16Å; Q1096-I1100 WeakPolarHBondContact O-CG1 3.48Å; Q1096-I1100 PolarHBondContact O-N 3.14Å; Q1096-I1100 VanDerWaalsContact O-N 3.11Å
1097	K	84.7	Confident	83.3	Confident	45 Å²	45	34.6 Å²	34.6	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-56.7	-48.1	174	-67.2	173.3	165	166	0	107.9	E1093 A1099 I1100 Y1101 Y1208	E1093-K1097 HydrophobicContact CG-CD 4.25Å; E1093-K1097 WeakPolarHBondContact O-CB 3.48Å; E1093-K1097 VanDerWaalsContact O-CG 3.28Å; E1093-K1097 WeakPolarHBondContact O-CG 3.4Å; E1093-K1097 PolarHBondContact O-N 3.26Å; E1093-K1097 VanDerWaalsContact OE1-CE 3.29Å; E1093-K1097 WeakPolarHBondContact OE1-CE 3.27Å; E1093-K1097 IonicContact OE1-NZ 3.83Å; E1093-K1097 PolarHBondContact OE1-NZ 3.23Å; K1097-A1099 PolarHBondContact O-N 3.34Å; K1097-I1100 WeakPolarHBondContact O-CA 3.4Å; K1097-I1100 WeakPolarHBondContact O-CB 3.32Å; K1097-I1100 PolarHBondContact O-N 2.88Å; K1097-Y1101 PolarHBondContact O-N 3.29Å; K1097-Y1101 VanDerWaalsContact O-N 3.09Å; K1097-Y1208 VanDerWaalsContact C-CZ 3.47Å; K1097-Y1208 HydrophobicContact CB-CD1 3.99Å; K1097-Y1208 HydrophobicContact CB-CE1 3.13Å; K1097-Y1208 HydrophobicContact CG-CE1 4.39Å; K1097-Y1208 VanDerWaalsContact O-CZ 3.27Å; K1097-Y1208 PolarHBondContact O-OH 2.94Å
1098	F	84.2	Confident	84	Confident	18 Å²	18	35.2 Å²	35.2	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-37.5	-178.2	175.9	-97.2	0	0	0	112.4	L930 F1074 L1094 V1095 Q1096 Y1101 F1102 Y1208 I1233	L930-F1098 HydrophobicContact CD1-CD1 4.35Å; L930-F1098 HydrophobicContact CD1-CE1 4.06Å; L930-F1098 HydrophobicContact CD1-CZ 4.36Å; L930-F1098 HydrophobicContact CD2-CE1 4.47Å; F1074-F1098 AromaticContact CD2-CD1 3.9Å; F1074-F1098 HydrophobicContact CD2-CD1 3.9Å; F1074-F1098 HydrophobicContact CD2-CE1 4.22Å; F1074-F1098 AromaticContact CE2-CD1 3.72Å; F1074-F1098 HydrophobicContact CE2-CD1 3.72Å; F1074-F1098 AromaticContact CE2-CE1 3.69Å; F1074-F1098 HydrophobicContact CE2-CE1 3.69Å; F1074-F1098 HydrophobicContact CZ-CD1 4.42Å; F1074-F1098 AromaticContact CZ-CE1 3.94Å; F1074-F1098 HydrophobicContact CZ-CE1 3.94Å; L1094-F1098 WeakPolarHBondContact O-CB 3.46Å; L1094-F1098 PolarHBondContact O-N 3.27Å; V1095-F1098 PolarHBondContact O-N 3.5Å; Q1096-F1098 VanDerWaalsContact C-N 3.28Å; Q1096-F1098 PolarHBondContact O-N 2.95Å; F1098-Y1101 PolarHBondContact O-N 3.12Å; F1098-F1102 VanDerWaalsContact O-CB 3.31Å; F1098-F1102 WeakPolarHBondContact O-CB 3.32Å; F1098-F1102 PolarHBondContact O-N 3.39Å; F1098-Y1208 VanDerWaalsContact N-CE1 3.32Å; F1098-I1233 HydrophobicContact CD2-CD1 4.33Å; F1098-I1233 HydrophobicContact CE2-CD1 4Å; F1098-I1233 HydrophobicContact CE2-CG1 3.78Å
1099	A	86.5	Confident	84.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-44.6	173.7	0	0	0	0	0	112.4	I1066 T1070 F1074 V1095 Q1096 K1097 F1102 Q1103	I1066-A1099 HydrophobicContact CG2-CB 4.14Å; I1066-A1099 WeakPolarHBondContact CG2-O 3.36Å; T1070-A1099 HydrophobicContact CG2-CB 4.31Å; F1074-A1099 HydrophobicContact CD2-CB 3.93Å; F1074-A1099 HydrophobicContact CE2-CB 4.31Å; V1095-A1099 PolarHBondContact O-N 2.94Å; Q1096-A1099 WeakPolarHBondContact O-CB 3.31Å; Q1096-A1099 PolarHBondContact O-N 3.24Å; Q1096-A1099 VanDerWaalsContact O-N 3.16Å; K1097-A1099 PolarHBondContact O-N 3.34Å; A1099-F1102 PolarHBondContact O-N 3.01Å; A1099-Q1103 PolarHBondContact O-N 2.86Å
1100	I	90.3	Very high	85.1	Confident	18 Å²	18	28 Å²	28	9%	0.092	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-51.9	176.7	-64.1	169.6	0	0	0	110.7	F1063 I1066 I1067 Q1096 K1097 F1102 Q1103 I1104 L1204	F1063-I1100 HydrophobicContact CB-CD1 4.17Å; F1063-I1100 HydrophobicContact CD1-CG2 3.86Å; F1063-I1100 HydrophobicContact CE1-CG2 4.09Å; F1063-I1100 HydrophobicContact CG-CD1 4.4Å; F1063-I1100 HydrophobicContact CG-CG2 4.45Å; I1066-I1100 HydrophobicContact CG2-CG1 4.28Å; I1067-I1100 HydrophobicContact CD1-CD1 4.35Å; I1067-I1100 HydrophobicContact CG1-CD1 4.41Å; I1067-I1100 HydrophobicContact CG1-CG1 4.46Å; Q1096-I1100 WeakPolarHBondContact O-CG1 3.48Å; Q1096-I1100 PolarHBondContact O-N 3.14Å; Q1096-I1100 VanDerWaalsContact O-N 3.11Å; K1097-I1100 WeakPolarHBondContact O-CA 3.4Å; K1097-I1100 WeakPolarHBondContact O-CB 3.32Å; K1097-I1100 PolarHBondContact O-N 2.88Å; I1100-F1102 VanDerWaalsContact C-N 3.32Å; I1100-F1102 PolarHBondContact O-N 3.43Å; I1100-Q1103 PolarHBondContact O-N 2.81Å; I1100-I1104 HydrophobicContact CG2-CD1 3.63Å; I1100-I1104 HydrophobicContact CG2-CG1 4.44Å; I1100-I1104 WeakPolarHBondContact O-CG1 3.39Å; I1100-I1104 PolarHBondContact O-N 3.41Å; I1100-L1204 HydrophobicContact CG2-CD1 3.99Å
1101	Y	89.6	Confident	85.7	Confident	12 Å²	12	24.9 Å²	24.9	5%	0.047	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-43.4	177.6	178	-92	0	0	0	112.3	K1097 F1098 Q1103 R1105 L1201 L1204 A1205 Y1208 I1233	K1097-Y1101 PolarHBondContact O-N 3.29Å; K1097-Y1101 VanDerWaalsContact O-N 3.09Å; F1098-Y1101 PolarHBondContact O-N 3.12Å; Y1101-Q1103 PolarHBondContact O-N 3.35Å; Y1101-R1105 VanDerWaalsContact O-CB 3.26Å; Y1101-R1105 WeakPolarHBondContact O-CB 3.5Å; Y1101-R1105 PolarHBondContact O-N 2.82Å; Y1101-L1201 HydrophobicContact CD2-CD2 3.73Å; Y1101-L1201 HydrophobicContact CE2-CB 4.25Å; Y1101-L1201 HydrophobicContact CE2-CD2 3.74Å; Y1101-L1201 WeakPolarHBondContact CE2-O 3.15Å; Y1101-L1201 HydrophobicContact CG-CD2 4.39Å; Y1101-L1204 HydrophobicContact CD2-CB 4.14Å; Y1101-A1205 HydrophobicContact CE2-CB 4.12Å; Y1101-Y1208 VanDerWaalsContact CB-OH 3.29Å; Y1101-Y1208 WeakPolarHBondContact CB-OH 3.4Å; Y1101-Y1208 AromaticContact CD2-CE2 3.94Å; Y1101-Y1208 HydrophobicContact CD2-CE2 3.94Å; Y1101-Y1208 AromaticContact CG-CE2 3.91Å; Y1101-Y1208 HydrophobicContact CG-CE2 3.91Å; Y1101-I1233 HydrophobicContact CE1-CG2 4.13Å
1102	F	86.8	Confident	85.9	Confident	34 Å²	34	25.9 Å²	25.9	15%	0.149	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-44.1	-178.8	-174.4	-88	0	0	0	111.9	V926 T1070 F1074 F1098 A1099 I1100 R1105 D1106	V926-F1102 HydrophobicContact CB-CE2 4.45Å; V926-F1102 HydrophobicContact CG1-CD2 4.41Å; V926-F1102 HydrophobicContact CG1-CE2 3.83Å; V926-F1102 HydrophobicContact CG1-CZ 4.43Å; V926-F1102 HydrophobicContact CG2-CE2 3.92Å; V926-F1102 HydrophobicContact CG2-CZ 4.14Å; T1070-F1102 HydrophobicContact CG2-CD1 4.26Å; F1074-F1102 HydrophobicContact CE2-CB 4.47Å; F1074-F1102 HydrophobicContact CZ-CG 4.47Å; F1098-F1102 VanDerWaalsContact O-CB 3.31Å; F1098-F1102 WeakPolarHBondContact O-CB 3.32Å; F1098-F1102 PolarHBondContact O-N 3.39Å; A1099-F1102 PolarHBondContact O-N 3.01Å; I1100-F1102 VanDerWaalsContact C-N 3.32Å; I1100-F1102 PolarHBondContact O-N 3.43Å; F1102-R1105 VanDerWaalsContact CE2-NH2 3.29Å; F1102-D1106 PolarHBondContact O-N 3.43Å; F1102-D1106 VanDerWaalsContact O-N 3.13Å
1103	Q	90.1	Very high	85.7	Confident	31 Å²	31	27.1 Å²	27.1	15%	0.145	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-51.7	179.7	-171.8	69.1	46	0	0	111.8	Y1062 I1066 T1070 A1099 I1100 Y1101 R1105 D1106 D1107	Y1062-Q1103 WeakPolarHBondContact OH-CG 3.37Å; I1066-Q1103 HydrophobicContact CD1-CB 3.71Å; I1066-Q1103 HydrophobicContact CD1-CG 3.87Å; I1066-Q1103 HydrophobicContact CG1-CB 3.86Å; I1066-Q1103 HydrophobicContact CG1-CG 3.81Å; I1066-Q1103 HydrophobicContact CG2-CB 3.85Å; T1070-Q1103 PolarHBondContact OG1-OE1 2.77Å; T1070-Q1103 VanDerWaalsContact OG1-OE1 3.04Å; A1099-Q1103 PolarHBondContact O-N 2.86Å; I1100-Q1103 PolarHBondContact O-N 2.81Å; Y1101-Q1103 PolarHBondContact O-N 3.35Å; Q1103-R1105 PolarHBondContact O-N 3.15Å; Q1103-R1105 VanDerWaalsContact O-N 3.14Å; Q1103-D1106 WeakPolarHBondContact O-CA 3.16Å; Q1103-D1106 PolarHBondContact O-N 2.93Å; Q1103-D1107 PolarHBondContact NE2-OD1 3.4Å; Q1103-D1107 PolarHBondContact O-N 3.03Å
1104	I	92	Very high	84.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-35	-179	-64.4	170.9	0	0	0	110.8	Y1062 F1063 I1066 I1100 Y1108 Y1134 T1197 L1201 L1204	Y1062-I1104 HydrophobicContact CE1-CG1 4.13Å; F1063-I1104 HydrophobicContact CD1-CD1 4.5Å; F1063-I1104 HydrophobicContact CE1-CD1 3.78Å; I1066-I1104 HydrophobicContact CD1-CG1 4.38Å; I1100-I1104 HydrophobicContact CG2-CD1 3.63Å; I1100-I1104 HydrophobicContact CG2-CG1 4.44Å; I1100-I1104 WeakPolarHBondContact O-CG1 3.39Å; I1100-I1104 PolarHBondContact O-N 3.41Å; I1104-Y1108 WeakPolarHBondContact O-CB 3.4Å; I1104-Y1108 PolarHBondContact O-N 3.09Å; I1104-Y1134 HydrophobicContact CD1-CD2 4.33Å; I1104-Y1134 HydrophobicContact CD1-CE1 4.48Å; I1104-Y1134 HydrophobicContact CD1-CE2 4.35Å; I1104-Y1134 HydrophobicContact CD1-CG 4.41Å; I1104-Y1134 HydrophobicContact CG1-CD1 4.42Å; I1104-Y1134 HydrophobicContact CG1-CD2 4.28Å; I1104-Y1134 HydrophobicContact CG1-CG 4.09Å; I1104-Y1134 HydrophobicContact CG2-CD1 3.67Å; I1104-Y1134 HydrophobicContact CG2-CE1 4.22Å; I1104-Y1134 HydrophobicContact CG2-CG 4.05Å; I1104-T1197 HydrophobicContact CG2-CG2 3.73Å; I1104-L1201 HydrophobicContact CB-CD2 3.92Å; I1104-L1201 HydrophobicContact CG2-CD1 4.29Å; I1104-L1201 HydrophobicContact CG2-CD2 3.7Å; I1104-L1201 HydrophobicContact CG2-CG 3.79Å; I1104-L1204 HydrophobicContact CD1-CD1 3.73Å
1105	R	88.9	Confident	83.7	Confident	27 Å²	27	34.3 Å²	34.3	10%	0.102	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-39	175.6	-168.2	-155.5	66.5	-159.9	-9.1	112.2	Y1101 F1102 Q1103 Y1108 A1109 L1201	Y1101-R1105 VanDerWaalsContact O-CB 3.26Å; Y1101-R1105 WeakPolarHBondContact O-CB 3.5Å; Y1101-R1105 PolarHBondContact O-N 2.82Å; F1102-R1105 VanDerWaalsContact CE2-NH2 3.29Å; Q1103-R1105 PolarHBondContact O-N 3.15Å; Q1103-R1105 VanDerWaalsContact O-N 3.14Å; R1105-Y1108 PolarHBondContact O-N 3.34Å; R1105-A1109 VanDerWaalsContact O-CB 3.29Å; R1105-A1109 WeakPolarHBondContact O-CB 3.49Å; R1105-A1109 PolarHBondContact O-N 3.36Å; R1105-L1201 HydrophobicContact CB-CD1 4.38Å; R1105-L1201 HydrophobicContact CB-CD2 3.94Å
1106	D	86.6	Confident	82.6	Confident	24 Å²	24	39 Å²	39	13%	0.128	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-45.7	176.4	-152.9	56.5	0	0	0	110.5	F1102 Q1103 Y1108 A1109 N1110 Y1117 K1121	F1102-D1106 PolarHBondContact O-N 3.43Å; F1102-D1106 VanDerWaalsContact O-N 3.13Å; Q1103-D1106 WeakPolarHBondContact O-CA 3.16Å; Q1103-D1106 PolarHBondContact O-N 2.93Å; D1106-Y1108 PolarHBondContact O-N 3.44Å; D1106-A1109 PolarHBondContact O-N 2.92Å; D1106-N1110 WeakPolarHBondContact O-CB 3.34Å; D1106-N1110 PolarHBondContact O-N 3.15Å; D1106-Y1117 PolarHBondContact OD1-OH 2.87Å; D1106-K1121 IonicContact OD2-NZ 3.12Å; D1106-K1121 PolarHBondContact OD2-NZ 3.3Å; D1106-K1121 VanDerWaalsContact OD2-NZ 3.13Å
1107	D	90.6	Very high	81.4	Confident	10 Å²	10	38 Å²	38	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-47.5	174.7	-76.9	32.2	0	0	0	112.1	Y1062 Q1103 A1109 N1110 L1111 S1133 Y1134	Y1062-D1107 VanDerWaalsContact OH-CG 3.26Å; Y1062-D1107 PolarHBondContact OH-OD2 3.4Å; Q1103-D1107 PolarHBondContact NE2-OD1 3.4Å; Q1103-D1107 PolarHBondContact O-N 3.03Å; D1107-A1109 PolarHBondContact O-N 3.49Å; D1107-N1110 PolarHBondContact O-N 3.49Å; D1107-L1111 PolarHBondContact O-N 2.93Å; D1107-S1133 WeakPolarHBondContact OD2-CA 3.5Å; D1107-S1133 VanDerWaalsContact OD2-CB 3.26Å; D1107-S1133 WeakPolarHBondContact OD2-CB 3.31Å; D1107-Y1134 PolarHBondContact OD2-N 3.08Å
1108	Y	90.4	Very high	80.1	Confident	55 Å²	55	36.8 Å²	36.8	22%	0.216	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-42.6	176.7	-176.1	-99.6	0	0	0	111.8	I1104 R1105 D1106 L1111 T1112 L1194 T1197 R1198 L1201	I1104-Y1108 WeakPolarHBondContact O-CB 3.4Å; I1104-Y1108 PolarHBondContact O-N 3.09Å; R1105-Y1108 PolarHBondContact O-N 3.34Å; D1106-Y1108 PolarHBondContact O-N 3.44Å; Y1108-L1111 PolarHBondContact O-N 2.8Å; Y1108-T1112 HydrophobicContact CD1-CG2 4.39Å; Y1108-T1112 HydrophobicContact CD2-CG2 4.15Å; Y1108-T1112 HydrophobicContact CE1-CG2 4.03Å; Y1108-T1112 HydrophobicContact CE2-CG2 3.76Å; Y1108-T1112 HydrophobicContact CG-CG2 4.45Å; Y1108-T1112 WeakPolarHBondContact O-CB 3.44Å; Y1108-T1112 WeakPolarHBondContact O-CG2 3.15Å; Y1108-T1112 PolarHBondContact O-N 3.28Å; Y1108-T1112 VanDerWaalsContact O-N 3.08Å; Y1108-T1112 PolarHBondContact O-OG1 3.44Å; Y1108-L1194 HydrophobicContact CD2-CD2 4.4Å; Y1108-L1194 HydrophobicContact CE2-CB 4.17Å; Y1108-L1194 HydrophobicContact CE2-CD2 4.25Å; Y1108-L1194 VanDerWaalsContact CE2-O 3.3Å; Y1108-L1194 WeakPolarHBondContact CE2-O 3.44Å; Y1108-T1197 HydrophobicContact CD2-CG2 3.73Å; Y1108-T1197 HydrophobicContact CG-CG2 4.2Å; Y1108-R1198 HydrophobicContact CE2-CB 4.46Å; Y1108-L1201 HydrophobicContact CG-CD1 4.35Å
1109	A	86.4	Confident	78.9	Confident	19 Å²	19	42.1 Å²	42.1	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-37.1	179.4	0	0	0	0	0	112.4	R1105 D1106 D1107 L1111 T1112 S1113 Y1117	R1105-A1109 VanDerWaalsContact O-CB 3.29Å; R1105-A1109 WeakPolarHBondContact O-CB 3.49Å; R1105-A1109 PolarHBondContact O-N 3.36Å; D1106-A1109 PolarHBondContact O-N 2.92Å; D1107-A1109 PolarHBondContact O-N 3.49Å; A1109-L1111 VanDerWaalsContact C-N 3.29Å; A1109-L1111 PolarHBondContact O-N 2.8Å; A1109-T1112 PolarHBondContact O-N 3.33Å; A1109-S1113 WeakPolarHBondContact O-CB 3.29Å; A1109-S1113 PolarHBondContact O-N 3.46Å; A1109-Y1117 HydrophobicContact CB-CD2 4.29Å; A1109-Y1117 HydrophobicContact CB-CE2 4.06Å
1110	N	87.2	Confident	77.8	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-43	176.6	-170.8	-69.2	0	0	0	111.6	D1106 D1107 A1124 E1125 D1126	D1106-N1110 WeakPolarHBondContact O-CB 3.34Å; D1106-N1110 PolarHBondContact O-N 3.15Å; D1107-N1110 PolarHBondContact O-N 3.49Å; N1110-A1124 WeakPolarHBondContact O-CA 3.42Å; N1110-A1124 VanDerWaalsContact OD1-C 3.29Å; N1110-A1124 VanDerWaalsContact OD1-CA 3.28Å; N1110-A1124 WeakPolarHBondContact OD1-CA 3.33Å; N1110-E1125 PolarHBondContact OD1-N 3.02Å; N1110-D1126 WeakPolarHBondContact CB-OD2 3.44Å; N1110-D1126 VanDerWaalsContact CG-OD1 3.31Å; N1110-D1126 VanDerWaalsContact CG-OD2 3.28Å; N1110-D1126 PolarHBondContact ND2-OD1 3.37Å; N1110-D1126 PolarHBondContact OD1-N 2.88Å; N1110-D1126 VanDerWaalsContact OD1-N 3.17Å
1111	L	85.6	Confident	76.6	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-86.5	-25.1	-177	-60.5	-175.1	0	0	0	114.6	D1107 Y1108 A1109 A1124 L1127 P1135 I1136 I1185 L1188	D1107-L1111 PolarHBondContact O-N 2.93Å; Y1108-L1111 PolarHBondContact O-N 2.8Å; A1109-L1111 VanDerWaalsContact C-N 3.29Å; A1109-L1111 PolarHBondContact O-N 2.8Å; L1111-A1124 HydrophobicContact CD2-CB 4.07Å; L1111-L1127 HydrophobicContact CD2-CD1 4.11Å; L1111-L1127 HydrophobicContact CD2-CG 3.86Å; L1111-P1135 HydrophobicContact CD1-CB 4.16Å; L1111-P1135 HydrophobicContact CD1-CG 4.08Å; L1111-I1136 HydrophobicContact CD1-CG1 4.37Å; L1111-I1185 VanDerWaalsContact O-CD1 3.32Å; L1111-I1185 WeakPolarHBondContact O-CD1 3.31Å; L1111-L1188 HydrophobicContact CD1-CD1 3.69Å
1112	T	83.3	Confident	75.7	Confident	46 Å²	46	48 Å²	48	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-105.6	-25.2	-171.7	59.3	0	0	0	0	114.8	Y1108 A1109 Q1114 L1194	Y1108-T1112 HydrophobicContact CD1-CG2 4.39Å; Y1108-T1112 HydrophobicContact CD2-CG2 4.15Å; Y1108-T1112 HydrophobicContact CE1-CG2 4.03Å; Y1108-T1112 HydrophobicContact CE2-CG2 3.76Å; Y1108-T1112 HydrophobicContact CG-CG2 4.45Å; Y1108-T1112 WeakPolarHBondContact O-CB 3.44Å; Y1108-T1112 WeakPolarHBondContact O-CG2 3.15Å; Y1108-T1112 PolarHBondContact O-N 3.28Å; Y1108-T1112 VanDerWaalsContact O-N 3.08Å; Y1108-T1112 PolarHBondContact O-OG1 3.44Å; A1109-T1112 PolarHBondContact O-N 3.33Å; T1112-Q1114 PolarHBondContact O-N 2.92Å; T1112-L1194 HydrophobicContact CG2-CD1 4.29Å; T1112-L1194 HydrophobicContact CG2-CD2 4.01Å
1113	S	72.2	Confident	75.4	Confident	37 Å²	37	47.8 Å²	47.8	26%	0.259	25%	0.25	S	S	.	.			trans	-89.4	96.4	-171.5	-165.5	0	0	0	0	110.9	A1109	A1109-S1113 WeakPolarHBondContact O-CB 3.29Å; A1109-S1113 PolarHBondContact O-N 3.46Å
1114	Q	59.4	Low	74.9	Confident	125 Å²	125	46.3 Å²	46.3	58%	0.584	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-30.7	-174.8	-73.4	-173.4	-20.2	0	0	114.2	T1112 A1118 F1123	T1112-Q1114 PolarHBondContact O-N 2.92Å; Q1114-A1118 VanDerWaalsContact O-CB 3.26Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.49Å; Q1114-F1123 HydrophobicContact CG-CE2 4.14Å
1115	E	57.3	Low	74.4	Confident	161 Å²	161	47 Å²	47	75%	0.752	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-45.5	-169.7	-66.4	179.5	173.7	0	0	112.8
1116	V	57.3	Low	74.2	Confident	100 Å²	100	46.3 Å²	46.3	61%	0.606	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-39.3	-170.6	-176.3	0	0	0	0	112.6	L1120	V1116-L1120 WeakPolarHBondContact O-CD1 3.49Å; V1116-L1120 WeakPolarHBondContact O-CG 3.24Å
1117	Y	60	Low	74	Confident	28 Å²	28	45.6 Å²	45.6	11%	0.11	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-32.2	179.8	-105.7	-109	0	0	0	112.8	K924 D1106 A1109 D1119 L1120 K1121	K924-Y1117 PolarHBondContact NZ-OH 2.84Å; D1106-Y1117 PolarHBondContact OD1-OH 2.87Å; A1109-Y1117 HydrophobicContact CB-CD2 4.29Å; A1109-Y1117 HydrophobicContact CB-CE2 4.06Å; Y1117-D1119 VanDerWaalsContact C-N 3.29Å; Y1117-D1119 PolarHBondContact O-N 3.02Å; Y1117-L1120 PolarHBondContact O-N 3.1Å; Y1117-K1121 HydrophobicContact CD1-CD 4.37Å; Y1117-K1121 HydrophobicContact CE1-CD 4.22Å; Y1117-K1121 PolarHBondContact O-N 3.38Å
1118	A	57.8	Low	73.6	Confident	20 Å²	20	46.6 Å²	46.6	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-38.1	-177.4	0	0	0	0	0	112.5	Q1114 L1120 S1122 F1123	Q1114-A1118 VanDerWaalsContact O-CB 3.26Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.49Å; A1118-L1120 VanDerWaalsContact C-N 3.28Å; A1118-L1120 PolarHBondContact O-N 3.09Å; A1118-S1122 CarbonylContact O-C 3.32Å; A1118-S1122 WeakPolarHBondContact O-CA 3.32Å; A1118-S1122 PolarHBondContact O-N 3.06Å; A1118-F1123 HydrophobicContact CB-CB 4.1Å; A1118-F1123 HydrophobicContact CB-CD2 4.47Å
1119	D	59.4	Low	73	Confident	131 Å²	131	44.3 Å²	44.3	70%	0.701	24%	0.239	S	C	*	.	H	α-helix	trans	-73.6	-20	177	-73	-13.1	0	0	0	113.2	G974 Y1117	G974-D1119 VanDerWaalsContact CA-O 3.26Å; G974-D1119 WeakPolarHBondContact CA-O 3.47Å; Y1117-D1119 VanDerWaalsContact C-N 3.29Å; Y1117-D1119 PolarHBondContact O-N 3.02Å
1120	L	63.1	Low	72.6	Confident	68 Å²	68	43.4 Å²	43.4	36%	0.356	23%	0.232	S	C	.	.	H	α-helix	trans	-95	-39.5	-175.3	-66.9	173.3	0	0	0	113.5	R973 G974 V1116 Y1117 A1118	R973-L1120 WeakPolarHBondContact CA-O 3.43Å; R973-L1120 PolarHBondContact N-O 2.81Å; G974-L1120 PolarHBondContact N-O 3.01Å; V1116-L1120 WeakPolarHBondContact O-CD1 3.49Å; V1116-L1120 WeakPolarHBondContact O-CG 3.24Å; Y1117-L1120 PolarHBondContact O-N 3.1Å; A1118-L1120 VanDerWaalsContact C-N 3.28Å; A1118-L1120 PolarHBondContact O-N 3.09Å
1121	K	64.1	Low	72.5	Confident	46 Å²	46	44.4 Å²	44.4	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-129.9	7.4	-172.5	-83.1	-168.7	177.3	-174.2	0	113.3	D1106 Y1117 E1125	D1106-K1121 IonicContact OD2-NZ 3.12Å; D1106-K1121 PolarHBondContact OD2-NZ 3.3Å; D1106-K1121 VanDerWaalsContact OD2-NZ 3.13Å; Y1117-K1121 HydrophobicContact CD1-CD 4.37Å; Y1117-K1121 HydrophobicContact CE1-CD 4.22Å; Y1117-K1121 PolarHBondContact O-N 3.38Å; K1121-E1125 VanDerWaalsContact CB-OE2 3.32Å; K1121-E1125 WeakPolarHBondContact CB-OE2 3.37Å; K1121-E1125 WeakPolarHBondContact O-CB 3.3Å; K1121-E1125 WeakPolarHBondContact O-CG 3.21Å; K1121-E1125 VanDerWaalsContact O-OE1 3.13Å
1122	S	71.1	Confident	72.6	Confident	40 Å²	40	44.8 Å²	44.8	28%	0.28	24%	0.237	S	C	.	.			trans	69.7	155.4	-163.6	89.1	0	0	0	0	113.2	A1118 A1124	A1118-S1122 CarbonylContact O-C 3.32Å; A1118-S1122 WeakPolarHBondContact O-CA 3.32Å; A1118-S1122 PolarHBondContact O-N 3.06Å; S1122-A1124 PolarHBondContact O-N 3.3Å
1123	F	80.1	Confident	72.9	Confident	28 Å²	28	42.7 Å²	42.7	12%	0.123	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	121.8	-175.2	174.6	-107.5	0	0	0	111.5	Q1114 A1118 E1125 I1178 K1181 Q1182 I1185	Q1114-F1123 HydrophobicContact CG-CE2 4.14Å; A1118-F1123 HydrophobicContact CB-CB 4.1Å; A1118-F1123 HydrophobicContact CB-CD2 4.47Å; F1123-E1125 PolarHBondContact O-N 2.64Å; F1123-I1178 HydrophobicContact CD1-CG2 3.92Å; F1123-I1178 HydrophobicContact CE1-CG2 4.07Å; F1123-K1181 HydrophobicContact CD1-CB 4.09Å; F1123-K1181 HydrophobicContact CD1-CD 3.91Å; F1123-K1181 HydrophobicContact CE1-CB 3.75Å; F1123-K1181 HydrophobicContact CE1-CD 4.41Å; F1123-K1181 VanDerWaalsContact O-CD 3.25Å; F1123-K1181 WeakPolarHBondContact O-CD 3.37Å; F1123-K1181 WeakPolarHBondContact O-CE 3.2Å; F1123-K1181 PolarHBondContact O-NZ 3.04Å; F1123-Q1182 HydrophobicContact CE1-CG 3.73Å; F1123-Q1182 HydrophobicContact CZ-CG 3.74Å; F1123-I1185 HydrophobicContact CE1-CD1 4.08Å; F1123-I1185 HydrophobicContact CE2-CD1 4.25Å; F1123-I1185 HydrophobicContact CZ-CD1 3.52Å
1124	A	80.6	Confident	73.9	Confident	1 Å²	1	41 Å²	41	1%	0.008	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	57.2	179.2	0	0	0	0	0	113.1	N1110 L1111 S1122 D1126 L1127 K1181 I1185	N1110-A1124 WeakPolarHBondContact O-CA 3.42Å; N1110-A1124 VanDerWaalsContact OD1-C 3.29Å; N1110-A1124 VanDerWaalsContact OD1-CA 3.28Å; N1110-A1124 WeakPolarHBondContact OD1-CA 3.33Å; L1111-A1124 HydrophobicContact CD2-CB 4.07Å; S1122-A1124 PolarHBondContact O-N 3.3Å; A1124-D1126 VanDerWaalsContact C-N 3.25Å; A1124-D1126 PolarHBondContact O-N 2.99Å; A1124-L1127 HydrophobicContact CB-CD1 4.04Å; A1124-L1127 HydrophobicContact CB-CG 4.46Å; A1124-L1127 PolarHBondContact O-N 2.61Å; A1124-K1181 HydrophobicContact CB-CB 4.47Å; A1124-K1181 HydrophobicContact CB-CD 4.29Å; A1124-I1185 HydrophobicContact CB-CD1 3.98Å
1125	E	81	Confident	75.4	Confident	14 Å²	14	35 Å²	35	7%	0.065	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-33.8	-176.4	-163.5	171	-142.8	0	0	112.2	N1110 K1121 F1123 L1127 T1128 E1129	N1110-E1125 PolarHBondContact OD1-N 3.02Å; K1121-E1125 VanDerWaalsContact CB-OE2 3.32Å; K1121-E1125 WeakPolarHBondContact CB-OE2 3.37Å; K1121-E1125 WeakPolarHBondContact O-CB 3.3Å; K1121-E1125 WeakPolarHBondContact O-CG 3.21Å; K1121-E1125 VanDerWaalsContact O-OE1 3.13Å; F1123-E1125 PolarHBondContact O-N 2.64Å; E1125-L1127 PolarHBondContact O-N 3.14Å; E1125-L1127 VanDerWaalsContact O-N 3.15Å; E1125-T1128 CarbonylContact O-C 3.09Å; E1125-T1128 WeakPolarHBondContact O-CA 3.42Å; E1125-T1128 VanDerWaalsContact O-CB 3.3Å; E1125-T1128 WeakPolarHBondContact O-CB 3.31Å; E1125-T1128 PolarHBondContact O-N 3.4Å; E1125-E1129 HydrophobicContact CG-CG 4.18Å; E1125-E1129 PolarHBondContact O-N 3.48Å
1126	D	84.7	Confident	76.9	Confident	13 Å²	13	27.9 Å²	27.9	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-33.5	179.8	-61.8	-8	0	0	0	111.4	N1110 A1124 E1129 G1130 K1131	N1110-D1126 WeakPolarHBondContact CB-OD2 3.44Å; N1110-D1126 VanDerWaalsContact CG-OD1 3.31Å; N1110-D1126 VanDerWaalsContact CG-OD2 3.28Å; N1110-D1126 PolarHBondContact ND2-OD1 3.37Å; N1110-D1126 PolarHBondContact OD1-N 2.88Å; N1110-D1126 VanDerWaalsContact OD1-N 3.17Å; A1124-D1126 VanDerWaalsContact C-N 3.25Å; A1124-D1126 PolarHBondContact O-N 2.99Å; D1126-E1129 PolarHBondContact O-N 2.87Å; D1126-G1130 PolarHBondContact O-N 3.38Å; D1126-K1131 HydrophobicContact CB-CB 4.35Å; D1126-K1131 PolarHBondContact O-N 2.78Å
1127	L	83.1	Confident	78.4	Confident	8 Å²	8	23.1 Å²	23.1	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-73.1	-27	174	-65.2	176.6	0	0	0	113	L1111 A1124 E1125 I1136 V1175 K1181 C1184 I1185	L1111-L1127 HydrophobicContact CD2-CD1 4.11Å; L1111-L1127 HydrophobicContact CD2-CG 3.86Å; A1124-L1127 HydrophobicContact CB-CD1 4.04Å; A1124-L1127 HydrophobicContact CB-CG 4.46Å; A1124-L1127 PolarHBondContact O-N 2.61Å; E1125-L1127 PolarHBondContact O-N 3.14Å; E1125-L1127 VanDerWaalsContact O-N 3.15Å; L1127-I1136 HydrophobicContact CD2-CD1 3.59Å; L1127-V1175 PolarHBondContact O-N 3.5Å; L1127-K1181 HydrophobicContact CB-CG 4.26Å; L1127-K1181 HydrophobicContact CD1-CB 4.13Å; L1127-K1181 HydrophobicContact CD1-CG 4.29Å; L1127-C1184 HydrophobicContact CD1-CB 3.74Å; L1127-C1184 HydrophobicContact CD2-CB 4.33Å; L1127-I1185 HydrophobicContact CD1-CG1 4.26Å
1128	T	81.3	Confident	79.7	Confident	31 Å²	31	22.8 Å²	22.8	19%	0.19	12%	0.122	C	C	.	.	H	α-helix	trans	-75.1	-41.2	171.1	-67.4	0	0	0	0	111.5	E1125 G1130 R1174 V1175 T1176 K1181	E1125-T1128 CarbonylContact O-C 3.09Å; E1125-T1128 WeakPolarHBondContact O-CA 3.42Å; E1125-T1128 VanDerWaalsContact O-CB 3.3Å; E1125-T1128 WeakPolarHBondContact O-CB 3.31Å; E1125-T1128 PolarHBondContact O-N 3.4Å; T1128-G1130 PolarHBondContact O-N 2.73Å; T1128-R1174 CarbonylContact O-C 3.6Å; T1128-R1174 WeakPolarHBondContact O-CA 3.48Å; T1128-R1174 WeakPolarHBondContact O-CB 3.2Å; T1128-R1174 VanDerWaalsContact O-CG 3.26Å; T1128-R1174 WeakPolarHBondContact O-CG 3.39Å; T1128-V1175 WeakPolarHBondContact CA-O 3.18Å; T1128-V1175 PolarHBondContact OG1-O 3.12Å; T1128-T1176 HydrophobicContact CG2-CG2 4.5Å; T1128-K1181 WeakPolarHBondContact OG1-CE 3.25Å; T1128-K1181 PolarHBondContact OG1-NZ 2.83Å
1129	E	78.2	Confident	81	Confident	8 Å²	8	22 Å²	22	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-73.4	-23.4	179.9	-66.3	175	170	0	0	111.2	D967 S969 R1051 E1125 D1126 K1131	D967-E1129 HydrophobicContact CB-CG 4.22Å; S969-E1129 PolarHBondContact OG-OE1 3.11Å; R1051-E1129 WeakPolarHBondContact CD-O 3.3Å; E1125-E1129 HydrophobicContact CG-CG 4.18Å; E1125-E1129 PolarHBondContact O-N 3.48Å; D1126-E1129 PolarHBondContact O-N 2.87Å; E1129-K1131 HydrophobicContact CB-CD 4.28Å; E1129-K1131 HydrophobicContact CB-CG 4.02Å; E1129-K1131 VanDerWaalsContact OE2-CD 3.27Å; E1129-K1131 WeakPolarHBondContact OE2-CD 3.28Å; E1129-K1131 WeakPolarHBondContact OE2-CE 3.28Å; E1129-K1131 IonicContact OE2-NZ 3.65Å; E1129-K1131 PolarHBondContact OE2-NZ 2.79Å
1130	G	77.6	Confident	82	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	23.2	-177.4	0	0	0	0	0	112.6	R1051 D1126 T1128 L1171	R1051-G1130 WeakPolarHBondContact CG-O 3.42Å; D1126-G1130 PolarHBondContact O-N 3.38Å; T1128-G1130 PolarHBondContact O-N 2.73Å; G1130-L1171 WeakPolarHBondContact O-CD1 3.46Å; G1130-L1171 WeakPolarHBondContact O-CD2 3.36Å
1131	K	84.9	Confident	82.8	Confident	25 Å²	25	17.4 Å²	17.4	11%	0.109	9%	0.092	C	C	.	.			trans	-75.6	143.1	-177.5	-72.6	179.9	174.2	161.2	0	112	D967 D1126 E1129 S1133	D967-K1131 VanDerWaalsContact CG-CE 3.47Å; D967-K1131 WeakPolarHBondContact OD1-CE 3.13Å; D967-K1131 IonicContact OD1-NZ 2.61Å; D967-K1131 PolarHBondContact OD1-NZ 3.08Å; D967-K1131 VanDerWaalsContact OD2-CE 3.32Å; D967-K1131 WeakPolarHBondContact OD2-CE 3.5Å; D967-K1131 IonicContact OD2-NZ 3.52Å; D967-K1131 PolarHBondContact OD2-NZ 3.2Å; D1126-K1131 HydrophobicContact CB-CB 4.35Å; D1126-K1131 PolarHBondContact O-N 2.78Å; E1129-K1131 HydrophobicContact CB-CD 4.28Å; E1129-K1131 HydrophobicContact CB-CG 4.02Å; E1129-K1131 VanDerWaalsContact OE2-CD 3.27Å; E1129-K1131 WeakPolarHBondContact OE2-CD 3.28Å; E1129-K1131 WeakPolarHBondContact OE2-CE 3.28Å; E1129-K1131 IonicContact OE2-NZ 3.65Å; E1129-K1131 PolarHBondContact OE2-NZ 2.79Å; K1131-S1133 VanDerWaalsContact C-N 3.31Å; K1131-S1133 PolarHBondContact O-N 2.83Å
1132	F	88	Confident	83.4	Confident	11 Å²	11	20 Å²	20	5%	0.048	11%	0.108	C	C	.	.			trans	-80.9	76.6	171.1	-78.8	-80.1	0	0	0	110.1	W1050 V1054 C1056 I1136 I1137 L1171	W1050-F1132 HydrophobicContact CB-CD2 4.02Å; W1050-F1132 HydrophobicContact CB-CE2 4.48Å; W1050-F1132 WeakPolarHBondContact O-CE2 3.2Å; V1054-F1132 HydrophobicContact CG1-CE2 4.42Å; V1054-F1132 HydrophobicContact CG1-CZ 4.07Å; C1056-F1132 HydrophobicContact CB-CD1 4.06Å; C1056-F1132 HydrophobicContact CB-CE1 3.59Å; C1056-F1132 HydrophobicContact CB-CZ 4.08Å; F1132-I1136 HydrophobicContact CD1-CG2 4.22Å; F1132-I1137 HydrophobicContact CB-CD1 4.2Å; F1132-I1137 HydrophobicContact CB-CG1 3.87Å; F1132-I1137 HydrophobicContact CD1-CG1 4.46Å; F1132-I1137 WeakPolarHBondContact O-CD1 3.32Å; F1132-L1171 HydrophobicContact CD1-CD1 4.27Å; F1132-L1171 HydrophobicContact CD2-CD1 3.97Å; F1132-L1171 HydrophobicContact CE1-CD1 3.8Å; F1132-L1171 HydrophobicContact CE2-CD1 3.46Å; F1132-L1171 VanDerWaalsContact CE2-CD1 3.46Å; F1132-L1171 HydrophobicContact CG-CD1 4.36Å; F1132-L1171 HydrophobicContact CZ-CD1 3.37Å
1133	S	90.1	Very high	82.9	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.014	10%	0.1	C	C	.	.			trans	-68.6	155	174.5	61.9	0	0	0	0	111.7	D1107 K1131 P1135 I1136 I1137	D1107-S1133 WeakPolarHBondContact OD2-CA 3.5Å; D1107-S1133 VanDerWaalsContact OD2-CB 3.26Å; D1107-S1133 WeakPolarHBondContact OD2-CB 3.31Å; K1131-S1133 VanDerWaalsContact C-N 3.31Å; K1131-S1133 PolarHBondContact O-N 2.83Å; S1133-P1135 VanDerWaalsContact C-CD 3.47Å; S1133-P1135 VanDerWaalsContact C-N 3.35Å; S1133-P1135 VanDerWaalsContact O-N 3.17Å; S1133-I1136 WeakPolarHBondContact O-CA 3.19Å; S1133-I1136 WeakPolarHBondContact O-CB 3.32Å; S1133-I1136 PolarHBondContact O-N 2.76Å; S1133-I1136 VanDerWaalsContact OG-CD1 3.27Å; S1133-I1136 WeakPolarHBondContact OG-CD1 3.29Å; S1133-I1136 WeakPolarHBondContact OG-CG1 3.39Å; S1133-I1137 PolarHBondContact O-N 3.13Å
1134	Y	92.8	Very high	81.5	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-51.3	-42.3	-173.4	-169.9	-103.6	0	0	0	114.6	E1059 Y1062 F1063 I1104 D1107 I1136 I1137 H1138 Y1196 T1197 R1200	E1059-Y1134 HydrophobicContact CB-CE2 4.37Å; E1059-Y1134 VanDerWaalsContact CD-OH 3.23Å; E1059-Y1134 HydrophobicContact CG-CE2 3.98Å; E1059-Y1134 PolarHBondContact OE1-OH 2.78Å; E1059-Y1134 PolarHBondContact OE2-OH 2.67Å; Y1062-Y1134 AromaticContact CD1-CD2 3.68Å; Y1062-Y1134 HydrophobicContact CD1-CD2 3.68Å; Y1062-Y1134 HydrophobicContact CD1-CE2 4.42Å; Y1062-Y1134 AromaticContact CE1-CD2 3.69Å; Y1062-Y1134 HydrophobicContact CE1-CD2 3.69Å; Y1062-Y1134 HydrophobicContact CE1-CG 4.2Å; F1063-Y1134 HydrophobicContact CE1-CD2 4.24Å; F1063-Y1134 AromaticContact CE1-CE2 3.61Å; F1063-Y1134 HydrophobicContact CE1-CE2 3.61Å; F1063-Y1134 AromaticContact CZ-CE2 3.89Å; F1063-Y1134 HydrophobicContact CZ-CE2 3.89Å; I1104-Y1134 HydrophobicContact CD1-CD2 4.33Å; I1104-Y1134 HydrophobicContact CD1-CE1 4.48Å; I1104-Y1134 HydrophobicContact CD1-CE2 4.35Å; I1104-Y1134 HydrophobicContact CD1-CG 4.41Å; I1104-Y1134 HydrophobicContact CG1-CD1 4.42Å; I1104-Y1134 HydrophobicContact CG1-CD2 4.28Å; I1104-Y1134 HydrophobicContact CG1-CG 4.09Å; I1104-Y1134 HydrophobicContact CG2-CD1 3.67Å; I1104-Y1134 HydrophobicContact CG2-CE1 4.22Å; I1104-Y1134 HydrophobicContact CG2-CG 4.05Å; D1107-Y1134 PolarHBondContact OD2-N 3.08Å; Y1134-I1136 VanDerWaalsContact C-N 3.31Å; Y1134-I1136 PolarHBondContact O-N 2.86Å; Y1134-I1137 PolarHBondContact O-N 3.18Å; Y1134-H1138 PolarHBondContact O-N 3.42Å; Y1134-H1138 VanDerWaalsContact O-N 3.08Å; Y1134-Y1196 HydrophobicContact CE1-CD1 4.25Å; Y1134-Y1196 AromaticContact CE1-CE1 3.92Å; Y1134-Y1196 HydrophobicContact CE1-CE1 3.92Å; Y1134-Y1196 AromaticContact CZ-CE1 3.97Å; Y1134-Y1196 WeakPolarHBondContact OH-CE1 3.44Å; Y1134-T1197 HydrophobicContact CD1-CG2 3.82Å; Y1134-T1197 HydrophobicContact CE1-CG2 4.46Å; Y1134-R1200 HydrophobicContact CE1-CB 4.15Å; Y1134-R1200 HydrophobicContact CE1-CG 4.2Å; Y1134-R1200 WeakPolarHBondContact OH-CG 3.45Å
1135	P	90.5	Very high	80.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-31.5	174.3	-20	31.7	0	0	0	114.3	L1111 S1133 A1139 S1193 L1194 T1197	L1111-P1135 HydrophobicContact CD1-CB 4.16Å; L1111-P1135 HydrophobicContact CD1-CG 4.08Å; S1133-P1135 VanDerWaalsContact C-CD 3.47Å; S1133-P1135 VanDerWaalsContact C-N 3.35Å; S1133-P1135 VanDerWaalsContact O-N 3.17Å; P1135-A1139 WeakPolarHBondContact O-CB 3.49Å; P1135-A1139 PolarHBondContact O-N 3.43Å; P1135-A1139 VanDerWaalsContact O-N 3.12Å; P1135-S1193 WeakPolarHBondContact O-CB 3.27Å; P1135-L1194 HydrophobicContact CB-CD2 3.95Å; P1135-L1194 HydrophobicContact CG-CD2 4.25Å; P1135-T1197 HydrophobicContact CG-CG2 4.06Å; P1135-T1197 WeakPolarHBondContact CG-OG1 3.42Å
1136	I	88.3	Confident	78.6	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-72.8	-44.4	177.5	-61.8	173.9	0	0	0	109.5	L1111 L1127 F1132 S1133 Y1134 H1138 A1139 V1140 L1188	L1111-I1136 HydrophobicContact CD1-CG1 4.37Å; L1127-I1136 HydrophobicContact CD2-CD1 3.59Å; F1132-I1136 HydrophobicContact CD1-CG2 4.22Å; S1133-I1136 WeakPolarHBondContact O-CA 3.19Å; S1133-I1136 WeakPolarHBondContact O-CB 3.32Å; S1133-I1136 PolarHBondContact O-N 2.76Å; S1133-I1136 VanDerWaalsContact OG-CD1 3.27Å; S1133-I1136 WeakPolarHBondContact OG-CD1 3.29Å; S1133-I1136 WeakPolarHBondContact OG-CG1 3.39Å; Y1134-I1136 VanDerWaalsContact C-N 3.31Å; Y1134-I1136 PolarHBondContact O-N 2.86Å; I1136-H1138 PolarHBondContact O-N 3Å; I1136-A1139 WeakPolarHBondContact O-CB 3.38Å; I1136-A1139 PolarHBondContact O-N 3.32Å; I1136-A1139 VanDerWaalsContact O-N 3.1Å; I1136-V1140 HydrophobicContact CG2-CG2 4.34Å; I1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; I1136-V1140 PolarHBondContact O-N 3.31Å; I1136-L1188 HydrophobicContact CG1-CD1 4.03Å; I1136-L1188 HydrophobicContact CG1-CD2 4.28Å
1137	I	89.2	Confident	76.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-53.1	175.6	-67.2	165.7	0	0	0	110.3	P1057 Y1062 F1132 S1133 Y1134 A1139 V1140 L1141	P1057-I1137 HydrophobicContact CG-CD1 3.64Å; P1057-I1137 HydrophobicContact CG-CG1 4.02Å; P1057-I1137 WeakPolarHBondContact O-CG2 3.48Å; Y1062-I1137 HydrophobicContact CD1-CD1 4.36Å; Y1062-I1137 HydrophobicContact CD2-CD1 3.22Å; Y1062-I1137 HydrophobicContact CE2-CD1 3.82Å; Y1062-I1137 HydrophobicContact CG-CD1 3.55Å; F1132-I1137 HydrophobicContact CB-CD1 4.2Å; F1132-I1137 HydrophobicContact CB-CG1 3.87Å; F1132-I1137 HydrophobicContact CD1-CG1 4.46Å; F1132-I1137 WeakPolarHBondContact O-CD1 3.32Å; S1133-I1137 PolarHBondContact O-N 3.13Å; Y1134-I1137 PolarHBondContact O-N 3.18Å; I1137-A1139 VanDerWaalsContact C-N 3.28Å; I1137-A1139 PolarHBondContact O-N 3.32Å; I1137-V1140 PolarHBondContact O-N 2.78Å; I1137-V1140 VanDerWaalsContact O-N 3.16Å; I1137-L1141 HydrophobicContact CG2-CD1 3.62Å; I1137-L1141 HydrophobicContact CG2-CG 4.24Å; I1137-L1141 WeakPolarHBondContact O-CG 3.24Å; I1137-L1141 PolarHBondContact O-N 3.34Å
1138	H	88.3	Confident	75.1	Confident	21 Å²	21	43.1 Å²	43.1	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-39.4	177	176.8	-83.6	0	0	0	112.4	E1059 Y1134 I1136 V1140 N1142 S1193 Y1196	E1059-H1138 IonicContact OE1-CD2 3.26Å; Y1134-H1138 PolarHBondContact O-N 3.42Å; Y1134-H1138 VanDerWaalsContact O-N 3.08Å; I1136-H1138 PolarHBondContact O-N 3Å; H1138-V1140 VanDerWaalsContact C-N 3.34Å; H1138-V1140 PolarHBondContact O-N 3.46Å; H1138-N1142 PolarHBondContact CD2-ND2 2.98Å; H1138-N1142 PolarHBondContact NE2-ND2 2.94Å; H1138-N1142 VanDerWaalsContact NE2-ND2 3.16Å; H1138-N1142 WeakPolarHBondContact O-CB 3.41Å; H1138-N1142 PolarHBondContact O-N 3.39Å; H1138-S1193 WeakPolarHBondContact ND1-CA 3.37Å; H1138-S1193 WeakPolarHBondContact ND1-CB 3.47Å; H1138-S1193 PolarHBondContact ND1-OG 2.93Å; H1138-Y1196 HydrophobicContact CB-CD1 4.02Å; H1138-Y1196 HydrophobicContact CB-CE1 4.27Å; H1138-Y1196 AromaticContact CD2-CD1 3.06Å; H1138-Y1196 WeakPolarHBondContact CD2-CD1 3.23Å; H1138-Y1196 AromaticContact CD2-CD2 3.75Å; H1138-Y1196 AromaticContact CD2-CE1 3.19Å; H1138-Y1196 WeakPolarHBondContact CD2-CE1 3.11Å; H1138-Y1196 AromaticContact CD2-CE2 3.87Å; H1138-Y1196 AromaticContact CD2-CG 3.34Å; H1138-Y1196 AromaticContact CD2-CZ 3.59Å; H1138-Y1196 AromaticContact CE1-CG 3.82Å; H1138-Y1196 AromaticContact CG-CD1 3.47Å; H1138-Y1196 VanDerWaalsContact CG-CD1 3.47Å; H1138-Y1196 AromaticContact CG-CE1 3.89Å; H1138-Y1196 AromaticContact CG-CG 3.9Å; H1138-Y1196 AromaticContact NE2-CD1 3.6Å; H1138-Y1196 AromaticContact NE2-CD2 3.44Å; H1138-Y1196 WeakPolarHBondContact NE2-CD2 3.29Å; H1138-Y1196 AromaticContact NE2-CE1 3.96Å; H1138-Y1196 AromaticContact NE2-CE2 3.84Å; H1138-Y1196 AromaticContact NE2-CG 3.29Å; H1138-Y1196 VanDerWaalsContact NE2-CG 3.29Å
1139	A	84.5	Confident	73.5	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-35.6	179	0	0	0	0	0	113.4	P1135 I1136 I1137 S1143 L1188 S1193	P1135-A1139 WeakPolarHBondContact O-CB 3.49Å; P1135-A1139 PolarHBondContact O-N 3.43Å; P1135-A1139 VanDerWaalsContact O-N 3.12Å; I1136-A1139 WeakPolarHBondContact O-CB 3.38Å; I1136-A1139 PolarHBondContact O-N 3.32Å; I1136-A1139 VanDerWaalsContact O-N 3.1Å; I1137-A1139 VanDerWaalsContact C-N 3.28Å; I1137-A1139 PolarHBondContact O-N 3.32Å; A1139-S1143 WeakPolarHBondContact O-CB 3.19Å; A1139-L1188 HydrophobicContact CB-CD2 3.44Å; A1139-L1188 VanDerWaalsContact CB-CD2 3.44Å; A1139-S1193 WeakPolarHBondContact CA-OG 3.46Å; A1139-S1193 WeakPolarHBondContact CB-OG 3.17Å; A1139-S1193 PolarHBondContact N-OG 3.07Å
1140	V	80.4	Confident	72.1	Confident	33 Å²	33	44.8 Å²	44.8	20%	0.2	24%	0.242	C	C	.	.	H	α-helix	trans	-77.5	-40.5	179.4	173.2	0	0	0	0	111.1	C1056 I1136 I1137 H1138 S1143 L1150	C1056-V1140 HydrophobicContact CB-CB 4.49Å; C1056-V1140 HydrophobicContact CB-CG1 3.83Å; I1136-V1140 HydrophobicContact CG2-CG2 4.34Å; I1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; I1136-V1140 PolarHBondContact O-N 3.31Å; I1137-V1140 PolarHBondContact O-N 2.78Å; I1137-V1140 VanDerWaalsContact O-N 3.16Å; H1138-V1140 VanDerWaalsContact C-N 3.34Å; H1138-V1140 PolarHBondContact O-N 3.46Å; V1140-S1143 PolarHBondContact O-OG 3.49Å; V1140-L1150 HydrophobicContact CG1-CD1 4.15Å
1141	L	80.9	Confident	70.7	Confident	71 Å²	71	46.3 Å²	46.3	37%	0.372	26%	0.258	S	S	.	.	H	α-helix	trans	-75.7	-38.1	-178.2	-64	177.8	0	0	0	113.3	I1137	I1137-L1141 HydrophobicContact CG2-CD1 3.62Å; I1137-L1141 HydrophobicContact CG2-CG 4.24Å; I1137-L1141 WeakPolarHBondContact O-CG 3.24Å; I1137-L1141 PolarHBondContact O-N 3.34Å
1142	N	75.4	Confident	69	Low	99 Å²	99	49.4 Å²	49.4	53%	0.529	27%	0.271	S	S	.	.	S	Bend	trans	-103.4	10.8	-172.2	-68.4	-60.1	0	0	0	114.7	H1138 A1144	H1138-N1142 PolarHBondContact CD2-ND2 2.98Å; H1138-N1142 PolarHBondContact NE2-ND2 2.94Å; H1138-N1142 VanDerWaalsContact NE2-ND2 3.16Å; H1138-N1142 WeakPolarHBondContact O-CB 3.41Å; H1138-N1142 PolarHBondContact O-N 3.39Å; N1142-A1144 PolarHBondContact O-N 3.39Å; N1142-A1144 VanDerWaalsContact O-N 3.11Å
1143	S	61	Low	67.2	Low	16 Å²	16	50.1 Å²	50.1	11%	0.112	27%	0.274	C	S	.	.			trans	-68.1	111.3	170.3	50.2	0	0	0	0	110	A1139 V1140 D1145 R1146 V1149	A1139-S1143 WeakPolarHBondContact O-CB 3.19Å; V1140-S1143 PolarHBondContact O-OG 3.49Å; S1143-D1145 PolarHBondContact O-N 2.96Å; S1143-R1146 PolarHBondContact O-N 3.28Å; S1143-V1149 VanDerWaalsContact CB-CB 3.47Å
1144	A	50.6	Low	65	Low	117 Å²	117	51.4 Å²	51.4	97%	0.967	28%	0.281	S	S	*	.	S	Bend	trans	-57.1	-9.7	175.6	0	0	0	0	0	114.3	N1142	N1142-A1144 PolarHBondContact O-N 3.39Å; N1142-A1144 VanDerWaalsContact O-N 3.11Å
1145	D	51.2	Low	62.5	Low	78 Å²	78	55.1 Å²	55.1	42%	0.417	31%	0.312	S	S	.	.	S	Bend	trans	-131.6	76.8	173.8	-154.4	-22.8	0	0	0	106.5	S1143 D1147 E1148 V1149	S1143-D1145 PolarHBondContact O-N 2.96Å; D1145-D1147 PolarHBondContact O-N 3.23Å; D1145-D1147 VanDerWaalsContact O-N 3.17Å; D1145-E1148 HydrophobicContact CB-CB 3.71Å; D1145-E1148 PolarHBondContact O-N 2.97Å; D1145-E1148 VanDerWaalsContact O-N 3.07Å; D1145-E1148 WeakPolarHBondContact OD1-CB 3.33Å; D1145-E1148 PolarHBondContact OD1-N 3.34Å; D1145-E1148 WeakPolarHBondContact OD2-CB 3.45Å; D1145-V1149 WeakPolarHBondContact O-CB 3.49Å; D1145-V1149 PolarHBondContact O-N 3.4Å
1146	R	48.5	Very low	60.2	Low	153 Å²	153	58 Å²	58	58%	0.577	33%	0.327	S	S	*	.	H	α-helix	trans	-48.9	-40.1	-179.6	-95.3	-169.4	-103.6	179.1	-0.3	109.8	S1143 L1150	S1143-R1146 PolarHBondContact O-N 3.28Å; R1146-L1150 WeakPolarHBondContact O-CB 3.44Å; R1146-L1150 PolarHBondContact O-N 3.49Å; R1146-L1150 VanDerWaalsContact O-N 3.15Å
1147	D	49.6	Very low	57.8	Low	137 Å²	137	58 Å²	58	73%	0.733	33%	0.327	S	S	*	.	H	α-helix	trans	-79.1	-34.8	178.9	-71.4	-28.6	0	0	0	114	D1145 G1151	D1145-D1147 PolarHBondContact O-N 3.23Å; D1145-D1147 VanDerWaalsContact O-N 3.17Å; D1147-G1151 WeakPolarHBondContact O-CA 3.49Å; D1147-G1151 PolarHBondContact O-N 3.26Å
1148	E	46.5	Very low	55.1	Low	89 Å²	89	60.2 Å²	60.2	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-80.8	-34	-179.3	-159.1	-158.8	-161.8	0	0	112.7	D1145 K1152	D1145-E1148 HydrophobicContact CB-CB 3.71Å; D1145-E1148 PolarHBondContact O-N 2.97Å; D1145-E1148 VanDerWaalsContact O-N 3.07Å; D1145-E1148 WeakPolarHBondContact OD1-CB 3.33Å; D1145-E1148 PolarHBondContact OD1-N 3.34Å; D1145-E1148 WeakPolarHBondContact OD2-CB 3.45Å; E1148-K1152 VanDerWaalsContact CD-CE 3.47Å; E1148-K1152 HydrophobicContact CG-CD 4.1Å; E1148-K1152 HydrophobicContact CG-CG 4.48Å; E1148-K1152 WeakPolarHBondContact O-CA 3.38Å; E1148-K1152 WeakPolarHBondContact O-CB 3.48Å; E1148-K1152 WeakPolarHBondContact O-CD 3.38Å; E1148-K1152 WeakPolarHBondContact O-CG 3.39Å; E1148-K1152 PolarHBondContact O-N 3.33Å; E1148-K1152 WeakPolarHBondContact OE1-CE 3.47Å; E1148-K1152 IonicContact OE1-NZ 3.43Å; E1148-K1152 PolarHBondContact OE1-NZ 2.95Å; E1148-K1152 IonicContact OE2-NZ 2.67Å; E1148-K1152 PolarHBondContact OE2-NZ 2.99Å
1149	V	47.3	Very low	52.5	Low	34 Å²	34	64.4 Å²	64.4	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-72.6	-54.8	174.4	174.7	0	0	0	0	108.2	S1143 D1145 G1151 K1152 W1153	S1143-V1149 VanDerWaalsContact CB-CB 3.47Å; D1145-V1149 WeakPolarHBondContact O-CB 3.49Å; D1145-V1149 PolarHBondContact O-N 3.4Å; V1149-G1151 PolarHBondContact O-N 3.4Å; V1149-K1152 PolarHBondContact O-N 3.28Å; V1149-K1152 VanDerWaalsContact O-N 3.09Å; V1149-W1153 VanDerWaalsContact C-CD1 3.5Å; V1149-W1153 VanDerWaalsContact O-CB 3.28Å; V1149-W1153 WeakPolarHBondContact O-CB 3.38Å; V1149-W1153 PolarHBondContact O-N 2.99Å
1150	L	49	Very low	49.8	Very low	41 Å²	41	67.3 Å²	67.3	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-33.1	176.7	-141.2	83.3	0	0	0	111.8	V1140 R1146 T1154 C1167	V1140-L1150 HydrophobicContact CG1-CD1 4.15Å; R1146-L1150 WeakPolarHBondContact O-CB 3.44Å; R1146-L1150 PolarHBondContact O-N 3.49Å; R1146-L1150 VanDerWaalsContact O-N 3.15Å; L1150-T1154 VanDerWaalsContact O-CB 3.29Å; L1150-T1154 WeakPolarHBondContact O-CB 3.34Å; L1150-T1154 WeakPolarHBondContact O-CG2 3.33Å; L1150-T1154 PolarHBondContact O-N 3.08Å; L1150-T1154 PolarHBondContact O-OG1 3.2Å; L1150-C1167 HydrophobicContact CD2-CB 3.56Å; L1150-C1167 WeakPolarHBondContact CD2-SG 3.24Å
1151	G	48	Very low	47.4	Very low	31 Å²	31	71.3 Å²	71.3	32%	0.32	39%	0.394	S	S	.	.	H	α-helix	trans	-67.6	-36.7	171.4	0	0	0	0	0	114.6	D1147 V1149 T1154 A1155	D1147-G1151 WeakPolarHBondContact O-CA 3.49Å; D1147-G1151 PolarHBondContact O-N 3.26Å; V1149-G1151 PolarHBondContact O-N 3.4Å; G1151-T1154 VanDerWaalsContact C-OG1 3.25Å; G1151-T1154 WeakPolarHBondContact CA-OG1 3.37Å; G1151-T1154 PolarHBondContact O-OG1 3.22Å; G1151-A1155 WeakPolarHBondContact O-CB 3.42Å; G1151-A1155 PolarHBondContact O-N 3.12Å
1152	K	49.9	Very low	44.9	Very low	91 Å²	91	72 Å²	72	40%	0.396	40%	0.402	S	S	.	.	H	α-helix	trans	-77.2	-40.2	173.4	-79	168.3	-178.6	163.6	0	111.3	E1148 V1149 T1154 A1155 I1156	E1148-K1152 VanDerWaalsContact CD-CE 3.47Å; E1148-K1152 HydrophobicContact CG-CD 4.1Å; E1148-K1152 HydrophobicContact CG-CG 4.48Å; E1148-K1152 WeakPolarHBondContact O-CA 3.38Å; E1148-K1152 WeakPolarHBondContact O-CB 3.48Å; E1148-K1152 WeakPolarHBondContact O-CD 3.38Å; E1148-K1152 WeakPolarHBondContact O-CG 3.39Å; E1148-K1152 PolarHBondContact O-N 3.33Å; E1148-K1152 WeakPolarHBondContact OE1-CE 3.47Å; E1148-K1152 IonicContact OE1-NZ 3.43Å; E1148-K1152 PolarHBondContact OE1-NZ 2.95Å; E1148-K1152 IonicContact OE2-NZ 2.67Å; E1148-K1152 PolarHBondContact OE2-NZ 2.99Å; V1149-K1152 PolarHBondContact O-N 3.28Å; V1149-K1152 VanDerWaalsContact O-N 3.09Å; K1152-T1154 VanDerWaalsContact C-N 3.31Å; K1152-T1154 PolarHBondContact O-N 3.08Å; K1152-A1155 PolarHBondContact O-N 2.79Å; K1152-I1156 HydrophobicContact CB-CD1 4.49Å; K1152-I1156 WeakPolarHBondContact O-CB 3.39Å; K1152-I1156 VanDerWaalsContact O-CD1 3.31Å; K1152-I1156 WeakPolarHBondContact O-CD1 3.35Å; K1152-I1156 VanDerWaalsContact O-CG1 3.24Å; K1152-I1156 WeakPolarHBondContact O-CG1 3.31Å; K1152-I1156 PolarHBondContact O-N 2.91Å
1153	W	48.4	Very low	42.7	Very low	26 Å²	26	71.8 Å²	71.8	10%	0.098	40%	0.4	C	S	.	.	H	α-helix	trans	-57.4	-47.7	171.7	-80.5	110.1	0	0	0	109	V1149 I1156 L1157 I1170 C1184 L1187 L1188	V1149-W1153 VanDerWaalsContact C-CD1 3.5Å; V1149-W1153 VanDerWaalsContact O-CB 3.28Å; V1149-W1153 WeakPolarHBondContact O-CB 3.38Å; V1149-W1153 PolarHBondContact O-N 2.99Å; W1153-I1156 PolarHBondContact O-N 3.03Å; W1153-L1157 HydrophobicContact CE3-CD1 3.97Å; W1153-L1157 HydrophobicContact CZ3-CD1 4.43Å; W1153-L1157 PolarHBondContact O-N 3.46Å; W1153-I1170 HydrophobicContact CB-CD1 3.41Å; W1153-I1170 VanDerWaalsContact CB-CD1 3.41Å; W1153-I1170 HydrophobicContact CE3-CD1 4.44Å; W1153-I1170 HydrophobicContact CG-CD1 4.46Å; W1153-I1170 WeakPolarHBondContact O-CD1 3.42Å; W1153-C1184 HydrophobicContact CH2-CB 3.92Å; W1153-C1184 WeakPolarHBondContact CH2-O 3.42Å; W1153-C1184 HydrophobicContact CZ3-CB 3.64Å; W1153-L1187 HydrophobicContact CD2-CD1 3.96Å; W1153-L1187 HydrophobicContact CE3-CD1 4.2Å; W1153-L1187 HydrophobicContact CH2-CB 4.09Å; W1153-L1187 HydrophobicContact CH2-CD1 4.37Å; W1153-L1187 HydrophobicContact CZ2-CB 3.63Å; W1153-L1187 HydrophobicContact CZ2-CD1 4.14Å; W1153-L1187 HydrophobicContact CZ3-CD1 4.42Å; W1153-L1188 HydrophobicContact CH2-CD2 3.95Å; W1153-L1188 HydrophobicContact CH2-CG 3.9Å; W1153-L1188 HydrophobicContact CZ2-CD2 3.82Å; W1153-L1188 HydrophobicContact CZ2-CG 4.09Å
1154	T	43.9	Very low	41.2	Very low	29 Å²	29	77.7 Å²	77.7	18%	0.178	43%	0.43	C	S	.	.	H	α-helix	trans	-67	-41.3	176.6	47.7	0	0	0	0	111.9	L1150 G1151 K1152 I1156 F1158 P1166 I1170	L1150-T1154 VanDerWaalsContact O-CB 3.29Å; L1150-T1154 WeakPolarHBondContact O-CB 3.34Å; L1150-T1154 WeakPolarHBondContact O-CG2 3.33Å; L1150-T1154 PolarHBondContact O-N 3.08Å; L1150-T1154 PolarHBondContact O-OG1 3.2Å; G1151-T1154 VanDerWaalsContact C-OG1 3.25Å; G1151-T1154 WeakPolarHBondContact CA-OG1 3.37Å; G1151-T1154 PolarHBondContact O-OG1 3.22Å; K1152-T1154 VanDerWaalsContact C-N 3.31Å; K1152-T1154 PolarHBondContact O-N 3.08Å; T1154-I1156 VanDerWaalsContact C-N 3.32Å; T1154-I1156 PolarHBondContact O-N 3.16Å; T1154-F1158 WeakPolarHBondContact O-CA 2.94Å; T1154-F1158 VanDerWaalsContact O-CB 3.25Å; T1154-F1158 WeakPolarHBondContact O-CB 3.4Å; T1154-F1158 PolarHBondContact O-N 3.34Å; T1154-P1166 WeakPolarHBondContact CG2-O 3.36Å; T1154-I1170 HydrophobicContact CG2-CD1 4.45Å
1155	A	40.6	Very low	40.4	Very low	77 Å²	77	75.7 Å²	75.7	64%	0.636	41%	0.414	S	S	*	.	H	α-helix	trans	-67.5	-27.3	178.4	0	0	0	0	0	114.4	G1151 K1152	G1151-A1155 WeakPolarHBondContact O-CB 3.42Å; G1151-A1155 PolarHBondContact O-N 3.12Å; K1152-A1155 PolarHBondContact O-N 2.79Å
1156	I	42.6	Very low	39.6	Very low	61 Å²	61	77.4 Å²	77.4	31%	0.313	43%	0.429	S	S	.	.	H	α-helix	trans	-87.1	-26.7	-177.8	-71.3	159.8	0	0	0	112.4	K1152 W1153 T1154 H1183 L1187	K1152-I1156 HydrophobicContact CB-CD1 4.49Å; K1152-I1156 WeakPolarHBondContact O-CB 3.39Å; K1152-I1156 VanDerWaalsContact O-CD1 3.31Å; K1152-I1156 WeakPolarHBondContact O-CD1 3.35Å; K1152-I1156 VanDerWaalsContact O-CG1 3.24Å; K1152-I1156 WeakPolarHBondContact O-CG1 3.31Å; K1152-I1156 PolarHBondContact O-N 2.91Å; W1153-I1156 PolarHBondContact O-N 3.03Å; T1154-I1156 VanDerWaalsContact C-N 3.32Å; T1154-I1156 PolarHBondContact O-N 3.16Å; I1156-H1183 VanDerWaalsContact CD1-NE2 3.28Å; I1156-H1183 WeakPolarHBondContact CD1-NE2 3.43Å; I1156-H1183 VanDerWaalsContact CG2-CD2 3.48Å; I1156-H1183 WeakPolarHBondContact CG2-CD2 3.48Å; I1156-L1187 HydrophobicContact CD1-CD1 4.05Å
1157	L	38.1	Very low	38.9	Very low	13 Å²	13	73.7 Å²	73.7	7%	0.068	43%	0.426	C	S	.	.	H	α-helix	trans	-109.9	-15.7	-174.4	-76.2	145.2	0	0	0	113.1	W1153 I1170 R1173 V1175 L1180 C1184	W1153-L1157 HydrophobicContact CE3-CD1 3.97Å; W1153-L1157 HydrophobicContact CZ3-CD1 4.43Å; W1153-L1157 PolarHBondContact O-N 3.46Å; L1157-I1170 HydrophobicContact CB-CB 4.18Å; L1157-I1170 HydrophobicContact CB-CD1 4.31Å; L1157-I1170 HydrophobicContact CB-CG1 3.73Å; L1157-I1170 HydrophobicContact CB-CG2 3.74Å; L1157-I1170 HydrophobicContact CD1-CB 4.32Å; L1157-I1170 HydrophobicContact CD1-CD1 4.03Å; L1157-I1170 HydrophobicContact CD1-CG1 4.21Å; L1157-I1170 HydrophobicContact CD1-CG2 3.26Å; L1157-I1170 HydrophobicContact CD2-CG2 4.12Å; L1157-I1170 HydrophobicContact CG-CG2 3.84Å; L1157-R1173 WeakPolarHBondContact O-CD 3.28Å; L1157-R1173 PolarHBondContact O-NH1 2.98Å; L1157-V1175 HydrophobicContact CD2-CB 4.48Å; L1157-V1175 HydrophobicContact CD2-CG1 4.17Å; L1157-V1175 HydrophobicContact CD2-CG2 3.44Å; L1157-V1175 VanDerWaalsContact CD2-CG2 3.44Å; L1157-L1180 HydrophobicContact CD2-CB 4.27Å; L1157-L1180 HydrophobicContact CD2-CD1 4.37Å; L1157-C1184 WeakPolarHBondContact CD1-SG 3.39Å
1158	F	33.2	Very low	38.5	Very low	46 Å²	46	67.6 Å²	67.6	20%	0.202	40%	0.395	C	S	.	.			trans	-120	90.2	-177.8	-92.9	-103.1	0	0	0	114.5	T1154 R1160 A1169 I1170 R1173	T1154-F1158 WeakPolarHBondContact O-CA 2.94Å; T1154-F1158 VanDerWaalsContact O-CB 3.25Å; T1154-F1158 WeakPolarHBondContact O-CB 3.4Å; T1154-F1158 PolarHBondContact O-N 3.34Å; F1158-R1160 PolarHBondContact O-N 3.12Å; F1158-A1169 HydrophobicContact CB-CB 4.29Å; F1158-A1169 HydrophobicContact CD1-CB 3.47Å; F1158-A1169 VanDerWaalsContact CD1-CB 3.47Å; F1158-A1169 HydrophobicContact CD2-CB 3.4Å; F1158-A1169 HydrophobicContact CE1-CB 3.49Å; F1158-A1169 VanDerWaalsContact CE1-CB 3.49Å; F1158-A1169 HydrophobicContact CE2-CB 3.52Å; F1158-A1169 WeakPolarHBondContact CE2-O 3.38Å; F1158-A1169 HydrophobicContact CG-CB 3.39Å; F1158-A1169 HydrophobicContact CZ-CB 3.51Å; F1158-A1169 WeakPolarHBondContact CZ-O 3.45Å; F1158-I1170 HydrophobicContact CD2-CG1 4.17Å; F1158-I1170 VanDerWaalsContact CE2-CA 3.42Å; F1158-I1170 VanDerWaalsContact CE2-N 3.31Å; F1158-R1173 HydrophobicContact CE1-CG 4.18Å; F1158-R1173 HydrophobicContact CE2-CB 3.74Å; F1158-R1173 HydrophobicContact CE2-CG 3.53Å; F1158-R1173 HydrophobicContact CZ-CB 3.94Å; F1158-R1173 HydrophobicContact CZ-CG 3.34Å
1159	H	32.5	Very low	38.3	Very low	108 Å²	108	64.5 Å²	64.5	50%	0.5	38%	0.384	S	S	.	.	S	Bend	trans	-75.3	103.8	148.1	-135.9	-30.2	0	0	0	108.2	F527 R1173	F527-H1159 HydrophobicContact CE1-CB 4.21Å; F527-H1159 HydrophobicContact CZ-CB 3.79Å; F527-H1159 WeakPolarHBondContact CZ-O 3.38Å; H1159-R1173 VanDerWaalsContact O-CZ 3.24Å; H1159-R1173 PolarHBondContact O-NH1 2.93Å; H1159-R1173 PolarHBondContact O-NH2 3.44Å
1160	R	28.6	Very low	38	Very low	64 Å²	64	63.9 Å²	63.9	24%	0.242	38%	0.38	C	S	.	.			trans	61.6	107.8	168.4	-88.9	175.1	-178.9	145	13.8	118.9	R492 L493 D526 F527 F1158 R1173	R492-R1160 PolarHBondContact O-NH1 3.1Å; R492-R1160 PolarHBondContact O-NH2 3.32Å; L493-R1160 VanDerWaalsContact CB-NH1 3.31Å; D526-R1160 IonicContact OD1-NH1 3.07Å; D526-R1160 PolarHBondContact OD1-NH1 2.93Å; D526-R1160 WeakPolarHBondContact OD2-CD 3.2Å; D526-R1160 IonicContact OD2-CZ 3.98Å; D526-R1160 IonicContact OD2-NE 3.46Å; D526-R1160 IonicContact OD2-NH1 3.9Å; D526-R1160 PolarHBondContact OD2-NH1 3.26Å; F527-R1160 HydrophobicContact CE2-CB 4.11Å; F1158-R1160 PolarHBondContact O-N 3.12Å; R1160-R1173 PolarHBondContact O-NH2 2.84Å
1161	C	29	Very low	38	Very low	116 Å²	116	63 Å²	63	78%	0.784	38%	0.375	S	S	*	.				-148.9	135.7	111.6	-93.2	0	0	0	0	108
1162	T	29.1	Very low	38.1	Very low	86 Å²	86	69.5 Å²	69.5	53%	0.528	39%	0.39	S	S	.	.			trans	-67.9	144.2	175.2	36.6	0	0	0	0	111
1163	L	29	Very low	38.1	Very low	94 Å²	94	69.6 Å²	69.6	49%	0.492	39%	0.388	S	S	.	.	S	Bend	trans	52.8	87.3	151.4	-69.8	146.9	0	0	0	116.9	D457	D457-L1163 WeakPolarHBondContact OD1-CD1 3.3Å; D457-L1163 WeakPolarHBondContact OD2-CD1 3.25Å
1164	D	29.3	Very low	38.7	Very low	141 Å²	141	72.5 Å²	72.5	75%	0.754	40%	0.398	S	S	*	.	S	Bend		171.5	118.7	121.5	-80.9	-22.5	0	0	0	108.6
1165	A	34.9	Very low	39.7	Very low	75 Å²	75	71.6 Å²	71.6	62%	0.62	39%	0.393	S	S	*	.			trans	63	94.9	-174.8	0	0	0	0	0	116.5	C1167	A1165-C1167 PolarHBondContact O-N 3Å
1166	P	32.9	Very low	41.1	Very low	113 Å²	113	73.6 Å²	73.6	73%	0.734	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	1.2	-172.9	-20.5	32.4	0	0	0	118.2	T1154	T1154-P1166 WeakPolarHBondContact CG2-O 3.36Å
1167	C	34	Very low	42.6	Very low	75 Å²	75	72.3 Å²	72.3	51%	0.507	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-20	-171.6	-58.6	0	0	0	0	113.4	L1150 A1165	L1150-C1167 HydrophobicContact CD2-CB 3.56Å; L1150-C1167 WeakPolarHBondContact CD2-SG 3.24Å; A1165-C1167 PolarHBondContact O-N 3Å
1168	A	41	Very low	44.7	Very low	10 Å²	10	76 Å²	76	8%	0.083	41%	0.413	C	S	.	.	S	Bend	trans	-94.4	-4.6	-159	0	0	0	0	0	116	V1054 I1170	V1054-A1168 HydrophobicContact CB-CB 3.52Å; V1054-A1168 HydrophobicContact CG1-CB 3.94Å; V1054-A1168 HydrophobicContact CG2-CB 3.7Å; V1054-A1168 WeakPolarHBondContact CG2-O 3.35Å; A1168-I1170 PolarHBondContact O-N 3.08Å
1169	A	42	Very low	46.7	Very low	23 Å²	23	80.2 Å²	80.2	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-68.8	-47.3	-156.9	0	0	0	0	0	111.3	F1158 L1171 R1172 R1173	F1158-A1169 HydrophobicContact CB-CB 4.29Å; F1158-A1169 HydrophobicContact CD1-CB 3.47Å; F1158-A1169 VanDerWaalsContact CD1-CB 3.47Å; F1158-A1169 HydrophobicContact CD2-CB 3.4Å; F1158-A1169 HydrophobicContact CE1-CB 3.49Å; F1158-A1169 VanDerWaalsContact CE1-CB 3.49Å; F1158-A1169 HydrophobicContact CE2-CB 3.52Å; F1158-A1169 WeakPolarHBondContact CE2-O 3.38Å; F1158-A1169 HydrophobicContact CG-CB 3.39Å; F1158-A1169 HydrophobicContact CZ-CB 3.51Å; F1158-A1169 WeakPolarHBondContact CZ-O 3.45Å; A1169-L1171 PolarHBondContact O-N 2.92Å; A1169-R1172 VanDerWaalsContact O-CB 3.3Å; A1169-R1172 WeakPolarHBondContact O-CB 3.47Å; A1169-R1172 PolarHBondContact O-N 3.27Å; A1169-R1172 VanDerWaalsContact O-N 3.09Å; A1169-R1173 PolarHBondContact O-N 3.43Å
1170	I	42.3	Very low	48.6	Very low	22 Å²	22	78.1 Å²	78.1	11%	0.113	43%	0.425	C	S	.	.	H	α-helix	trans	-61.6	-49.1	-163.2	-57.2	170	0	0	0	114.3	W1153 T1154 L1157 F1158 A1168 R1172 R1173	W1153-I1170 HydrophobicContact CB-CD1 3.41Å; W1153-I1170 VanDerWaalsContact CB-CD1 3.41Å; W1153-I1170 HydrophobicContact CE3-CD1 4.44Å; W1153-I1170 HydrophobicContact CG-CD1 4.46Å; W1153-I1170 WeakPolarHBondContact O-CD1 3.42Å; T1154-I1170 HydrophobicContact CG2-CD1 4.45Å; L1157-I1170 HydrophobicContact CB-CB 4.18Å; L1157-I1170 HydrophobicContact CB-CD1 4.31Å; L1157-I1170 HydrophobicContact CB-CG1 3.73Å; L1157-I1170 HydrophobicContact CB-CG2 3.74Å; L1157-I1170 HydrophobicContact CD1-CB 4.32Å; L1157-I1170 HydrophobicContact CD1-CD1 4.03Å; L1157-I1170 HydrophobicContact CD1-CG1 4.21Å; L1157-I1170 HydrophobicContact CD1-CG2 3.26Å; L1157-I1170 HydrophobicContact CD2-CG2 4.12Å; L1157-I1170 HydrophobicContact CG-CG2 3.84Å; F1158-I1170 HydrophobicContact CD2-CG1 4.17Å; F1158-I1170 VanDerWaalsContact CE2-CA 3.42Å; F1158-I1170 VanDerWaalsContact CE2-N 3.31Å; A1168-I1170 PolarHBondContact O-N 3.08Å; I1170-R1172 PolarHBondContact O-N 3.49Å; I1170-R1173 PolarHBondContact O-N 2.95Å; I1170-R1173 VanDerWaalsContact O-N 3.08Å
1171	L	49	Very low	51.1	Low	23 Å²	23	75.5 Å²	75.5	12%	0.12	42%	0.416	C	S	.	.	H	α-helix	trans	-67.9	-29.8	-178.5	-59.8	174.3	0	0	0	110.4	V1054 G1130 F1132 A1169 R1173 R1174	V1054-L1171 HydrophobicContact CG1-CB 4.4Å; V1054-L1171 HydrophobicContact CG1-CD1 4.04Å; G1130-L1171 WeakPolarHBondContact O-CD1 3.46Å; G1130-L1171 WeakPolarHBondContact O-CD2 3.36Å; F1132-L1171 HydrophobicContact CD1-CD1 4.27Å; F1132-L1171 HydrophobicContact CD2-CD1 3.97Å; F1132-L1171 HydrophobicContact CE1-CD1 3.8Å; F1132-L1171 HydrophobicContact CE2-CD1 3.46Å; F1132-L1171 VanDerWaalsContact CE2-CD1 3.46Å; F1132-L1171 HydrophobicContact CG-CD1 4.36Å; F1132-L1171 HydrophobicContact CZ-CD1 3.37Å; A1169-L1171 PolarHBondContact O-N 2.92Å; L1171-R1173 PolarHBondContact O-N 3.43Å; L1171-R1174 PolarHBondContact O-N 3.34Å
1172	R	50.2	Low	53.7	Low	166 Å²	166	74.2 Å²	74.2	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-63.6	-21.8	171.9	-75.5	179.9	171.4	166.9	-1.1	114	V1054 A1169 I1170	V1054-R1172 HydrophobicContact CG2-CG 4.19Å; A1169-R1172 VanDerWaalsContact O-CB 3.3Å; A1169-R1172 WeakPolarHBondContact O-CB 3.47Å; A1169-R1172 PolarHBondContact O-N 3.27Å; A1169-R1172 VanDerWaalsContact O-N 3.09Å; I1170-R1172 PolarHBondContact O-N 3.49Å
1173	R	49	Very low	56	Low	93 Å²	93	73.2 Å²	73.2	35%	0.351	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.6	-179.9	-98.3	179.6	-162.5	-166	-4.3	115.2	L1157 F1158 H1159 R1160 A1169 I1170 L1171	L1157-R1173 WeakPolarHBondContact O-CD 3.28Å; L1157-R1173 PolarHBondContact O-NH1 2.98Å; F1158-R1173 HydrophobicContact CE1-CG 4.18Å; F1158-R1173 HydrophobicContact CE2-CB 3.74Å; F1158-R1173 HydrophobicContact CE2-CG 3.53Å; F1158-R1173 HydrophobicContact CZ-CB 3.94Å; F1158-R1173 HydrophobicContact CZ-CG 3.34Å; H1159-R1173 VanDerWaalsContact O-CZ 3.24Å; H1159-R1173 PolarHBondContact O-NH1 2.93Å; H1159-R1173 PolarHBondContact O-NH2 3.44Å; R1160-R1173 PolarHBondContact O-NH2 2.84Å; A1169-R1173 PolarHBondContact O-N 3.43Å; I1170-R1173 PolarHBondContact O-N 2.95Å; I1170-R1173 VanDerWaalsContact O-N 3.08Å; L1171-R1173 PolarHBondContact O-N 3.43Å
1174	R	62.2	Low	58.4	Low	87 Å²	87	68.9 Å²	68.9	33%	0.328	37%	0.365	S	S	.	.			trans	42.7	73.4	179.1	-69.8	-167.5	174.3	-133.9	-2.2	112.1	D967 T1128 L1171 T1176	D967-R1174 PolarHBondContact O-NH1 2.91Å; T1128-R1174 CarbonylContact O-C 3.6Å; T1128-R1174 WeakPolarHBondContact O-CA 3.48Å; T1128-R1174 WeakPolarHBondContact O-CB 3.2Å; T1128-R1174 VanDerWaalsContact O-CG 3.26Å; T1128-R1174 WeakPolarHBondContact O-CG 3.39Å; L1171-R1174 PolarHBondContact O-N 3.34Å; R1174-T1176 WeakPolarHBondContact O-CG2 3.43Å; R1174-T1176 PolarHBondContact O-N 3.45Å
1175	V	65.1	Low	61	Low	10 Å²	10	62.5 Å²	62.5	6%	0.061	33%	0.331	C	S	.	.			trans	-57.7	110.2	-166.4	-173	0	0	0	0	110.7	L1127 T1128 L1157 L1180 K1181	L1127-V1175 PolarHBondContact O-N 3.5Å; T1128-V1175 WeakPolarHBondContact CA-O 3.18Å; T1128-V1175 PolarHBondContact OG1-O 3.12Å; L1157-V1175 HydrophobicContact CD2-CB 4.48Å; L1157-V1175 HydrophobicContact CD2-CG1 4.17Å; L1157-V1175 HydrophobicContact CD2-CG2 3.44Å; L1157-V1175 VanDerWaalsContact CD2-CG2 3.44Å; V1175-L1180 HydrophobicContact CG1-CB 3.43Å; V1175-L1180 VanDerWaalsContact CG1-CB 3.43Å; V1175-L1180 HydrophobicContact CG1-CD1 4.16Å; V1175-L1180 HydrophobicContact CG1-CG 4.45Å; V1175-K1181 HydrophobicContact CB-CG 4.5Å; V1175-K1181 HydrophobicContact CG1-CG 4.05Å; V1175-K1181 WeakPolarHBondContact O-CE 3.48Å
1176	T	69.2	Low	63.3	Low	119 Å²	119	61.5 Å²	61.5	73%	0.73	32%	0.315	S	S	*	.			trans	-94.8	-23.7	178.7	51.9	0	0	0	0	113.1	T1128 R1174 I1178	T1128-T1176 HydrophobicContact CG2-CG2 4.5Å; R1174-T1176 WeakPolarHBondContact O-CG2 3.43Å; R1174-T1176 PolarHBondContact O-N 3.45Å; T1176-I1178 PolarHBondContact O-N 3.47Å
1177	S	74.8	Confident	65.5	Low	35 Å²	35	57.5 Å²	57.5	25%	0.245	29%	0.287	C	S	.	.			trans	-71.5	125.1	179.1	158.4	0	0	0	0	111.4	E1179 L1180 K1181	S1177-E1179 PolarHBondContact O-N 3.04Å; S1177-E1179 PolarHBondContact OG-N 3.34Å; S1177-E1179 PolarHBondContact OG-OE2 3.32Å; S1177-L1180 PolarHBondContact O-N 3.37Å; S1177-L1180 PolarHBondContact OG-N 2.89Å; S1177-K1181 WeakPolarHBondContact O-CG 3.19Å; S1177-K1181 PolarHBondContact O-N 3.04Å
1178	I	81.1	Confident	67.9	Low	91 Å²	91	53.9 Å²	53.9	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-38.3	175	-64.2	172.1	0	0	0	110.5	F1123 T1176 K1181 Q1182	F1123-I1178 HydrophobicContact CD1-CG2 3.92Å; F1123-I1178 HydrophobicContact CE1-CG2 4.07Å; T1176-I1178 PolarHBondContact O-N 3.47Å; I1178-K1181 PolarHBondContact O-N 3.37Å; I1178-Q1182 HydrophobicContact CG2-CG 4.36Å; I1178-Q1182 WeakPolarHBondContact O-CB 3.45Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.25Å; I1178-Q1182 PolarHBondContact O-N 3.4Å
1179	E	76.5	Confident	70	Confident	133 Å²	133	59.8 Å²	59.8	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-64.8	-41.4	179.4	-58.1	86.3	170.8	0	0	112.4	S1177 H1183	S1177-E1179 PolarHBondContact O-N 3.04Å; S1177-E1179 PolarHBondContact OG-N 3.34Å; S1177-E1179 PolarHBondContact OG-OE2 3.32Å; E1179-H1183 WeakPolarHBondContact O-CB 3.48Å; E1179-H1183 PolarHBondContact O-N 2.95Å
1180	L	71.2	Confident	71.7	Confident	64 Å²	64	66.7 Å²	66.7	34%	0.335	30%	0.304	S	S	.	.	H	α-helix	trans	-67.9	-40.9	175.9	-71.2	177.4	0	0	0	111.2	L1157 V1175 S1177 H1183 C1184	L1157-L1180 HydrophobicContact CD2-CB 4.27Å; L1157-L1180 HydrophobicContact CD2-CD1 4.37Å; V1175-L1180 HydrophobicContact CG1-CB 3.43Å; V1175-L1180 VanDerWaalsContact CG1-CB 3.43Å; V1175-L1180 HydrophobicContact CG1-CD1 4.16Å; V1175-L1180 HydrophobicContact CG1-CG 4.45Å; S1177-L1180 PolarHBondContact O-N 3.37Å; S1177-L1180 PolarHBondContact OG-N 2.89Å; L1180-H1183 WeakPolarHBondContact O-CB 3.36Å; L1180-H1183 PolarHBondContact O-N 2.99Å; L1180-C1184 PolarHBondContact O-N 2.73Å; L1180-C1184 PolarHBondContact O-SG 3.42Å
1181	K	82	Confident	73.4	Confident	9 Å²	9	68.3 Å²	68.3	4%	0.039	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-46.9	173.5	-69.7	176	176.3	-167.5	0	112.2	F1123 A1124 L1127 T1128 V1175 S1177 I1178 H1183 C1184 I1185	F1123-K1181 HydrophobicContact CD1-CB 4.09Å; F1123-K1181 HydrophobicContact CD1-CD 3.91Å; F1123-K1181 HydrophobicContact CE1-CB 3.75Å; F1123-K1181 HydrophobicContact CE1-CD 4.41Å; F1123-K1181 VanDerWaalsContact O-CD 3.25Å; F1123-K1181 WeakPolarHBondContact O-CD 3.37Å; F1123-K1181 WeakPolarHBondContact O-CE 3.2Å; F1123-K1181 PolarHBondContact O-NZ 3.04Å; A1124-K1181 HydrophobicContact CB-CB 4.47Å; A1124-K1181 HydrophobicContact CB-CD 4.29Å; L1127-K1181 HydrophobicContact CB-CG 4.26Å; L1127-K1181 HydrophobicContact CD1-CB 4.13Å; L1127-K1181 HydrophobicContact CD1-CG 4.29Å; T1128-K1181 WeakPolarHBondContact OG1-CE 3.25Å; T1128-K1181 PolarHBondContact OG1-NZ 2.83Å; V1175-K1181 HydrophobicContact CB-CG 4.5Å; V1175-K1181 HydrophobicContact CG1-CG 4.05Å; V1175-K1181 WeakPolarHBondContact O-CE 3.48Å; S1177-K1181 WeakPolarHBondContact O-CG 3.19Å; S1177-K1181 PolarHBondContact O-N 3.04Å; I1178-K1181 PolarHBondContact O-N 3.37Å; K1181-H1183 VanDerWaalsContact C-N 3.26Å; K1181-H1183 PolarHBondContact O-N 3.4Å; K1181-C1184 WeakPolarHBondContact O-CB 3.5Å; K1181-C1184 PolarHBondContact O-N 3.15Å; K1181-C1184 VanDerWaalsContact O-N 3.17Å; K1181-I1185 WeakPolarHBondContact O-CG1 3.5Å; K1181-I1185 PolarHBondContact O-N 3.27Å
1182	Q	83.7	Confident	75.1	Confident	90 Å²	90	68.6 Å²	68.6	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-39.6	175.3	-76.4	178.1	-10.2	0	0	111.6	F1123 I1178 I1185 D1186	F1123-Q1182 HydrophobicContact CE1-CG 3.73Å; F1123-Q1182 HydrophobicContact CZ-CG 3.74Å; I1178-Q1182 HydrophobicContact CG2-CG 4.36Å; I1178-Q1182 WeakPolarHBondContact O-CB 3.45Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.25Å; I1178-Q1182 PolarHBondContact O-N 3.4Å; Q1182-I1185 PolarHBondContact O-N 3.33Å; Q1182-D1186 PolarHBondContact O-N 2.9Å
1183	H	76.2	Confident	76.9	Confident	65 Å²	65	60.8 Å²	60.8	30%	0.301	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-41.7	176	-164.8	88	0	0	0	112.6	I1156 E1179 L1180 K1181 D1186 L1187	I1156-H1183 VanDerWaalsContact CD1-NE2 3.28Å; I1156-H1183 WeakPolarHBondContact CD1-NE2 3.43Å; I1156-H1183 VanDerWaalsContact CG2-CD2 3.48Å; I1156-H1183 WeakPolarHBondContact CG2-CD2 3.48Å; E1179-H1183 WeakPolarHBondContact O-CB 3.48Å; E1179-H1183 PolarHBondContact O-N 2.95Å; L1180-H1183 WeakPolarHBondContact O-CB 3.36Å; L1180-H1183 PolarHBondContact O-N 2.99Å; K1181-H1183 VanDerWaalsContact C-N 3.26Å; K1181-H1183 PolarHBondContact O-N 3.4Å; H1183-D1186 WeakPolarHBondContact O-CB 3.24Å; H1183-D1186 PolarHBondContact O-N 3.44Å; H1183-L1187 WeakPolarHBondContact O-CG 3.22Å; H1183-L1187 PolarHBondContact O-N 3.43Å
1184	C	79.8	Confident	78.8	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-46	174.1	-62.9	0	0	0	0	111.2	L1127 W1153 L1157 L1180 K1181 D1186 L1187 L1188	L1127-C1184 HydrophobicContact CD1-CB 3.74Å; L1127-C1184 HydrophobicContact CD2-CB 4.33Å; W1153-C1184 HydrophobicContact CH2-CB 3.92Å; W1153-C1184 WeakPolarHBondContact CH2-O 3.42Å; W1153-C1184 HydrophobicContact CZ3-CB 3.64Å; L1157-C1184 WeakPolarHBondContact CD1-SG 3.39Å; L1180-C1184 PolarHBondContact O-N 2.73Å; L1180-C1184 PolarHBondContact O-SG 3.42Å; K1181-C1184 WeakPolarHBondContact O-CB 3.5Å; K1181-C1184 PolarHBondContact O-N 3.15Å; K1181-C1184 VanDerWaalsContact O-N 3.17Å; C1184-D1186 VanDerWaalsContact C-N 3.3Å; C1184-D1186 PolarHBondContact O-N 2.92Å; C1184-L1187 WeakPolarHBondContact O-CB 3.49Å; C1184-L1187 PolarHBondContact O-N 2.76Å; C1184-L1187 VanDerWaalsContact O-N 3.1Å; C1184-L1188 WeakPolarHBondContact O-CG 3.35Å; C1184-L1188 PolarHBondContact O-N 3.14Å
1185	I	84.8	Confident	80.1	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-39.7	176.6	-65.5	160.2	0	0	0	111.1	L1111 F1123 A1124 L1127 K1181 Q1182 L1187 L1188 R1189 L1194	L1111-I1185 VanDerWaalsContact O-CD1 3.32Å; L1111-I1185 WeakPolarHBondContact O-CD1 3.31Å; F1123-I1185 HydrophobicContact CE1-CD1 4.08Å; F1123-I1185 HydrophobicContact CE2-CD1 4.25Å; F1123-I1185 HydrophobicContact CZ-CD1 3.52Å; A1124-I1185 HydrophobicContact CB-CD1 3.98Å; L1127-I1185 HydrophobicContact CD1-CG1 4.26Å; K1181-I1185 WeakPolarHBondContact O-CG1 3.5Å; K1181-I1185 PolarHBondContact O-N 3.27Å; Q1182-I1185 PolarHBondContact O-N 3.33Å; I1185-L1187 VanDerWaalsContact C-N 3.32Å; I1185-L1187 PolarHBondContact O-N 3.5Å; I1185-L1188 PolarHBondContact O-N 3.45Å; I1185-R1189 WeakPolarHBondContact O-CB 3.31Å; I1185-R1189 PolarHBondContact O-N 2.87Å; I1185-L1194 HydrophobicContact CG2-CD1 4.34Å
1186	D	81.9	Confident	81.4	Confident	54 Å²	54	59.3 Å²	59.3	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-35.5	174.8	-88	2.3	0	0	0	112.6	Q1182 H1183 C1184 R1189 R1190	Q1182-D1186 PolarHBondContact O-N 2.9Å; H1183-D1186 WeakPolarHBondContact O-CB 3.24Å; H1183-D1186 PolarHBondContact O-N 3.44Å; C1184-D1186 VanDerWaalsContact C-N 3.3Å; C1184-D1186 PolarHBondContact O-N 2.92Å; D1186-R1189 IonicContact OD1-CZ 3.66Å; D1186-R1189 IonicContact OD1-NH1 3.88Å; D1186-R1189 PolarHBondContact OD1-NH1 3.04Å; D1186-R1190 WeakPolarHBondContact O-CG 3.24Å; D1186-R1190 PolarHBondContact O-N 3.33Å; D1186-R1190 VanDerWaalsContact O-N 3.13Å
1187	L	78.6	Confident	82.5	Confident	28 Å²	28	53.7 Å²	53.7	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-46.8	173.2	-68.7	173.6	0	0	0	111.5	W1153 I1156 H1183 C1184 I1185 R1189 R1190 S1191	W1153-L1187 HydrophobicContact CD2-CD1 3.96Å; W1153-L1187 HydrophobicContact CE3-CD1 4.2Å; W1153-L1187 HydrophobicContact CH2-CB 4.09Å; W1153-L1187 HydrophobicContact CH2-CD1 4.37Å; W1153-L1187 HydrophobicContact CZ2-CB 3.63Å; W1153-L1187 HydrophobicContact CZ2-CD1 4.14Å; W1153-L1187 HydrophobicContact CZ3-CD1 4.42Å; I1156-L1187 HydrophobicContact CD1-CD1 4.05Å; H1183-L1187 WeakPolarHBondContact O-CG 3.22Å; H1183-L1187 PolarHBondContact O-N 3.43Å; C1184-L1187 WeakPolarHBondContact O-CB 3.49Å; C1184-L1187 PolarHBondContact O-N 2.76Å; C1184-L1187 VanDerWaalsContact O-N 3.1Å; I1185-L1187 VanDerWaalsContact C-N 3.32Å; I1185-L1187 PolarHBondContact O-N 3.5Å; L1187-R1189 PolarHBondContact O-N 3.02Å; L1187-R1190 PolarHBondContact O-N 3.09Å; L1187-S1191 PolarHBondContact O-N 3.02Å; L1187-S1191 PolarHBondContact O-OG 3.29Å
1188	L	84.5	Confident	83.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-32.5	175.7	-65	173.9	0	0	0	112.6	L1111 I1136 A1139 W1153 C1184 I1185 S1191 S1193 L1194	L1111-L1188 HydrophobicContact CD1-CD1 3.69Å; I1136-L1188 HydrophobicContact CG1-CD1 4.03Å; I1136-L1188 HydrophobicContact CG1-CD2 4.28Å; A1139-L1188 HydrophobicContact CB-CD2 3.44Å; A1139-L1188 VanDerWaalsContact CB-CD2 3.44Å; W1153-L1188 HydrophobicContact CH2-CD2 3.95Å; W1153-L1188 HydrophobicContact CH2-CG 3.9Å; W1153-L1188 HydrophobicContact CZ2-CD2 3.82Å; W1153-L1188 HydrophobicContact CZ2-CG 4.09Å; C1184-L1188 WeakPolarHBondContact O-CG 3.35Å; C1184-L1188 PolarHBondContact O-N 3.14Å; I1185-L1188 PolarHBondContact O-N 3.45Å; L1188-S1191 WeakPolarHBondContact CA-OG 3.34Å; L1188-S1191 PolarHBondContact O-OG 3.36Å; L1188-S1191 VanDerWaalsContact O-OG 3.06Å; L1188-S1193 PolarHBondContact O-N 3.03Å; L1188-L1194 HydrophobicContact CB-CD1 4.4Å; L1188-L1194 HydrophobicContact CB-CD2 4.35Å; L1188-L1194 HydrophobicContact CB-CG 4.02Å; L1188-L1194 PolarHBondContact O-N 3.43Å
1189	R	85.6	Confident	83.7	Confident	133 Å²	133	60.8 Å²	60.8	50%	0.502	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-40	173.7	-164.3	178.6	-64.2	111	0.4	111.5	I1185 D1186 L1187 G1192 L1194	I1185-R1189 WeakPolarHBondContact O-CB 3.31Å; I1185-R1189 PolarHBondContact O-N 2.87Å; D1186-R1189 IonicContact OD1-CZ 3.66Å; D1186-R1189 IonicContact OD1-NH1 3.88Å; D1186-R1189 PolarHBondContact OD1-NH1 3.04Å; L1187-R1189 PolarHBondContact O-N 3.02Å; R1189-G1192 PolarHBondContact O-N 3.16Å; R1189-L1194 HydrophobicContact CB-CD1 3.98Å; R1189-L1194 HydrophobicContact CG-CD1 4.43Å
1190	R	77.1	Confident	84.3	Confident	169 Å²	169	57.2 Å²	57.2	64%	0.638	26%	0.256	S	S	*	.	H	α-helix	trans	-74.5	-31.5	-180	-72.8	176.6	-167.1	164.2	12.6	113.4	D1186 L1187 G1192	D1186-R1190 WeakPolarHBondContact O-CG 3.24Å; D1186-R1190 PolarHBondContact O-N 3.33Å; D1186-R1190 VanDerWaalsContact O-N 3.13Å; L1187-R1190 PolarHBondContact O-N 3.09Å; R1190-G1192 PolarHBondContact O-N 2.7Å
1191	S	78.6	Confident	85.1	Confident	55 Å²	55	54.9 Å²	54.9	39%	0.385	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.1	173.6	65.5	0	0	0	0	112.9	L1187 L1188 S1193	L1187-S1191 PolarHBondContact O-N 3.02Å; L1187-S1191 PolarHBondContact O-OG 3.29Å; L1188-S1191 WeakPolarHBondContact CA-OG 3.34Å; L1188-S1191 PolarHBondContact O-OG 3.36Å; L1188-S1191 VanDerWaalsContact O-OG 3.06Å; S1191-S1193 PolarHBondContact O-N 2.89Å; S1191-S1193 PolarHBondContact OG-N 3.23Å; S1191-S1193 PolarHBondContact OG-OG 3.43Å
1192	G	84.5	Confident	85.2	Confident	30 Å²	30	56.3 Å²	56.3	31%	0.309	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	0.3	-174.9	0	0	0	0	0	114.1	R1189 R1190 L1194 E1195 Y1196	R1189-G1192 PolarHBondContact O-N 3.16Å; R1190-G1192 PolarHBondContact O-N 2.7Å; G1192-L1194 PolarHBondContact O-N 3.04Å; G1192-E1195 PolarHBondContact O-N 3.19Å; G1192-E1195 VanDerWaalsContact O-N 3.09Å; G1192-Y1196 PolarHBondContact O-N 2.92Å
1193	S	88.1	Confident	85.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-34.4	-173.8	-55.7	0	0	0	0	113.9	P1135 H1138 A1139 L1188 S1191 E1195 T1197	P1135-S1193 WeakPolarHBondContact O-CB 3.27Å; H1138-S1193 WeakPolarHBondContact ND1-CA 3.37Å; H1138-S1193 WeakPolarHBondContact ND1-CB 3.47Å; H1138-S1193 PolarHBondContact ND1-OG 2.93Å; A1139-S1193 WeakPolarHBondContact CA-OG 3.46Å; A1139-S1193 WeakPolarHBondContact CB-OG 3.17Å; A1139-S1193 PolarHBondContact N-OG 3.07Å; L1188-S1193 PolarHBondContact O-N 3.03Å; S1191-S1193 PolarHBondContact O-N 2.89Å; S1191-S1193 PolarHBondContact OG-N 3.23Å; S1191-S1193 PolarHBondContact OG-OG 3.43Å; S1193-E1195 VanDerWaalsContact C-N 3.34Å; S1193-T1197 WeakPolarHBondContact O-CB 3.44Å; S1193-T1197 PolarHBondContact O-N 2.94Å; S1193-T1197 PolarHBondContact O-OG1 2.76Å
1194	L	90.1	Very high	85.6	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-40.5	172.8	-65.6	179.1	0	0	0	111.3	Y1108 T1112 P1135 I1185 L1188 R1189 G1192 T1197 R1198	Y1108-L1194 HydrophobicContact CD2-CD2 4.4Å; Y1108-L1194 HydrophobicContact CE2-CB 4.17Å; Y1108-L1194 HydrophobicContact CE2-CD2 4.25Å; Y1108-L1194 VanDerWaalsContact CE2-O 3.3Å; Y1108-L1194 WeakPolarHBondContact CE2-O 3.44Å; T1112-L1194 HydrophobicContact CG2-CD1 4.29Å; T1112-L1194 HydrophobicContact CG2-CD2 4.01Å; P1135-L1194 HydrophobicContact CB-CD2 3.95Å; P1135-L1194 HydrophobicContact CG-CD2 4.25Å; I1185-L1194 HydrophobicContact CG2-CD1 4.34Å; L1188-L1194 HydrophobicContact CB-CD1 4.4Å; L1188-L1194 HydrophobicContact CB-CD2 4.35Å; L1188-L1194 HydrophobicContact CB-CG 4.02Å; L1188-L1194 PolarHBondContact O-N 3.43Å; R1189-L1194 HydrophobicContact CB-CD1 3.98Å; R1189-L1194 HydrophobicContact CG-CD1 4.43Å; G1192-L1194 PolarHBondContact O-N 3.04Å; L1194-T1197 PolarHBondContact O-N 3.43Å; L1194-R1198 PolarHBondContact O-N 3.25Å
1195	E	89.6	Confident	85.3	Confident	74 Å²	74	53.9 Å²	53.9	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-71.9	-38.5	178.7	-172.5	60	-159.3	0	0	111.4	G1192 S1193 R1198 R1199	G1192-E1195 PolarHBondContact O-N 3.19Å; G1192-E1195 VanDerWaalsContact O-N 3.09Å; S1193-E1195 VanDerWaalsContact C-N 3.34Å; E1195-R1198 WeakPolarHBondContact O-CB 3.4Å; E1195-R1198 PolarHBondContact O-N 3.47Å; E1195-R1198 IonicContact OE1-CZ 2.7Å; E1195-R1198 IonicContact OE1-NE 2.78Å; E1195-R1198 PolarHBondContact OE1-NE 3.41Å; E1195-R1198 IonicContact OE1-NH2 2.65Å; E1195-R1198 PolarHBondContact OE1-NH2 3.32Å; E1195-R1198 IonicContact OE2-CZ 2.92Å; E1195-R1198 IonicContact OE2-NE 2.86Å; E1195-R1198 PolarHBondContact OE2-NE 3.28Å; E1195-R1198 VanDerWaalsContact OE2-NE 3.09Å; E1195-R1198 IonicContact OE2-NH2 3.62Å; E1195-R1199 WeakPolarHBondContact O-CG 3.49Å; E1195-R1199 PolarHBondContact O-N 3.23Å
1196	Y	91.2	Very high	84.7	Confident	76 Å²	76	56 Å²	56	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-57.8	-49	171	176.2	-94.4	0	0	0	111.3	E1059 Y1134 H1138 G1192 R1198 R1199 R1200	E1059-Y1196 VanDerWaalsContact OE1-CE1 3.26Å; E1059-Y1196 WeakPolarHBondContact OE1-CE1 3.39Å; E1059-Y1196 PolarHBondContact OE1-OH 3.33Å; E1059-Y1196 PolarHBondContact OE2-OH 3.35Å; Y1134-Y1196 HydrophobicContact CE1-CD1 4.25Å; Y1134-Y1196 AromaticContact CE1-CE1 3.92Å; Y1134-Y1196 HydrophobicContact CE1-CE1 3.92Å; Y1134-Y1196 AromaticContact CZ-CE1 3.97Å; Y1134-Y1196 WeakPolarHBondContact OH-CE1 3.44Å; H1138-Y1196 HydrophobicContact CB-CD1 4.02Å; H1138-Y1196 HydrophobicContact CB-CE1 4.27Å; H1138-Y1196 AromaticContact CD2-CD1 3.06Å; H1138-Y1196 WeakPolarHBondContact CD2-CD1 3.23Å; H1138-Y1196 AromaticContact CD2-CD2 3.75Å; H1138-Y1196 AromaticContact CD2-CE1 3.19Å; H1138-Y1196 WeakPolarHBondContact CD2-CE1 3.11Å; H1138-Y1196 AromaticContact CD2-CE2 3.87Å; H1138-Y1196 AromaticContact CD2-CG 3.34Å; H1138-Y1196 AromaticContact CD2-CZ 3.59Å; H1138-Y1196 AromaticContact CE1-CG 3.82Å; H1138-Y1196 AromaticContact CG-CD1 3.47Å; H1138-Y1196 VanDerWaalsContact CG-CD1 3.47Å; H1138-Y1196 AromaticContact CG-CE1 3.89Å; H1138-Y1196 AromaticContact CG-CG 3.9Å; H1138-Y1196 AromaticContact NE2-CD1 3.6Å; H1138-Y1196 AromaticContact NE2-CD2 3.44Å; H1138-Y1196 WeakPolarHBondContact NE2-CD2 3.29Å; H1138-Y1196 AromaticContact NE2-CE1 3.96Å; H1138-Y1196 AromaticContact NE2-CE2 3.84Å; H1138-Y1196 AromaticContact NE2-CG 3.29Å; H1138-Y1196 VanDerWaalsContact NE2-CG 3.29Å; G1192-Y1196 PolarHBondContact O-N 2.92Å; Y1196-R1198 VanDerWaalsContact C-N 3.29Å; Y1196-R1198 PolarHBondContact O-N 2.91Å; Y1196-R1199 WeakPolarHBondContact O-CB 3.39Å; Y1196-R1199 PolarHBondContact O-N 2.77Å; Y1196-R1200 PolarHBondContact O-N 3.45Å
1197	T	91.7	Very high	84.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-42.6	177.5	-57.4	0	0	0	0	111.4	I1104 Y1108 Y1134 P1135 S1193 L1194 R1199 R1200 L1201	I1104-T1197 HydrophobicContact CG2-CG2 3.73Å; Y1108-T1197 HydrophobicContact CD2-CG2 3.73Å; Y1108-T1197 HydrophobicContact CG-CG2 4.2Å; Y1134-T1197 HydrophobicContact CD1-CG2 3.82Å; Y1134-T1197 HydrophobicContact CE1-CG2 4.46Å; P1135-T1197 HydrophobicContact CG-CG2 4.06Å; P1135-T1197 WeakPolarHBondContact CG-OG1 3.42Å; S1193-T1197 WeakPolarHBondContact O-CB 3.44Å; S1193-T1197 PolarHBondContact O-N 2.94Å; S1193-T1197 PolarHBondContact O-OG1 2.76Å; L1194-T1197 PolarHBondContact O-N 3.43Å; T1197-R1199 PolarHBondContact O-N 3.17Å; T1197-R1200 PolarHBondContact O-N 3.37Å; T1197-L1201 HydrophobicContact CG2-CD1 4.29Å; T1197-L1201 WeakPolarHBondContact O-CB 2.78Å; T1197-L1201 WeakPolarHBondContact O-CG 3.21Å; T1197-L1201 PolarHBondContact O-N 3.11Å
1198	R	90.8	Very high	83.6	Confident	120 Å²	120	57 Å²	57	45%	0.453	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-39.8	176	-165.8	-176.8	78.3	87.6	2.2	112.4	Y1108 L1194 E1195 Y1196 S1202	Y1108-R1198 HydrophobicContact CE2-CB 4.46Å; L1194-R1198 PolarHBondContact O-N 3.25Å; E1195-R1198 WeakPolarHBondContact O-CB 3.4Å; E1195-R1198 PolarHBondContact O-N 3.47Å; E1195-R1198 IonicContact OE1-CZ 2.7Å; E1195-R1198 IonicContact OE1-NE 2.78Å; E1195-R1198 PolarHBondContact OE1-NE 3.41Å; E1195-R1198 IonicContact OE1-NH2 2.65Å; E1195-R1198 PolarHBondContact OE1-NH2 3.32Å; E1195-R1198 IonicContact OE2-CZ 2.92Å; E1195-R1198 IonicContact OE2-NE 2.86Å; E1195-R1198 PolarHBondContact OE2-NE 3.28Å; E1195-R1198 VanDerWaalsContact OE2-NE 3.09Å; E1195-R1198 IonicContact OE2-NH2 3.62Å; Y1196-R1198 VanDerWaalsContact C-N 3.29Å; Y1196-R1198 PolarHBondContact O-N 2.91Å; R1198-S1202 PolarHBondContact O-N 2.87Å; R1198-S1202 VanDerWaalsContact O-N 3.13Å; R1198-S1202 PolarHBondContact O-OG 3.34Å
1199	R	91.1	Very high	82.2	Confident	156 Å²	156	58.8 Å²	58.8	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-67.2	-45.5	174.6	-71.2	177.3	-168	176.3	2.7	111.5	E1195 Y1196 T1197 L1201 S1202 L1203	E1195-R1199 WeakPolarHBondContact O-CG 3.49Å; E1195-R1199 PolarHBondContact O-N 3.23Å; Y1196-R1199 WeakPolarHBondContact O-CB 3.39Å; Y1196-R1199 PolarHBondContact O-N 2.77Å; T1197-R1199 PolarHBondContact O-N 3.17Å; R1199-L1201 VanDerWaalsContact C-N 3.34Å; R1199-L1201 PolarHBondContact O-N 2.83Å; R1199-S1202 CarbonylContact O-C 3.5Å; R1199-S1202 WeakPolarHBondContact O-CA 3.48Å; R1199-S1202 WeakPolarHBondContact O-CB 3.14Å; R1199-S1202 PolarHBondContact O-N 2.95Å; R1199-L1203 PolarHBondContact O-N 2.86Å
1200	R	89.7	Confident	80.4	Confident	58 Å²	58	59.7 Å²	59.7	22%	0.219	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-42	177.3	-168	72.6	175.6	130.2	-0.4	111.8	Y1134 Y1196 T1197 S1202 L1203 L1204 E1207	Y1134-R1200 HydrophobicContact CE1-CB 4.15Å; Y1134-R1200 HydrophobicContact CE1-CG 4.2Å; Y1134-R1200 WeakPolarHBondContact OH-CG 3.45Å; Y1196-R1200 PolarHBondContact O-N 3.45Å; T1197-R1200 PolarHBondContact O-N 3.37Å; R1200-S1202 PolarHBondContact O-N 2.84Å; R1200-L1203 PolarHBondContact O-N 3.25Å; R1200-L1204 HydrophobicContact CG-CD1 4.18Å; R1200-L1204 HydrophobicContact CG-CG 4.4Å; R1200-L1204 WeakPolarHBondContact O-CB 3.46Å; R1200-L1204 WeakPolarHBondContact O-CG 3.33Å; R1200-L1204 PolarHBondContact O-N 3.32Å; R1200-E1207 IonicContact NH1-OE1 2.72Å
1201	L	87.3	Confident	78.8	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-36.3	171.3	-76.8	170.5	0	0	0	112.3	Y1101 I1104 R1105 Y1108 T1197 R1199 A1205	Y1101-L1201 HydrophobicContact CD2-CD2 3.73Å; Y1101-L1201 HydrophobicContact CE2-CB 4.25Å; Y1101-L1201 HydrophobicContact CE2-CD2 3.74Å; Y1101-L1201 WeakPolarHBondContact CE2-O 3.15Å; Y1101-L1201 HydrophobicContact CG-CD2 4.39Å; I1104-L1201 HydrophobicContact CB-CD2 3.92Å; I1104-L1201 HydrophobicContact CG2-CD1 4.29Å; I1104-L1201 HydrophobicContact CG2-CD2 3.7Å; I1104-L1201 HydrophobicContact CG2-CG 3.79Å; R1105-L1201 HydrophobicContact CB-CD1 4.38Å; R1105-L1201 HydrophobicContact CB-CD2 3.94Å; Y1108-L1201 HydrophobicContact CG-CD1 4.35Å; T1197-L1201 HydrophobicContact CG2-CD1 4.29Å; T1197-L1201 WeakPolarHBondContact O-CB 2.78Å; T1197-L1201 WeakPolarHBondContact O-CG 3.21Å; T1197-L1201 PolarHBondContact O-N 3.11Å; R1199-L1201 VanDerWaalsContact C-N 3.34Å; R1199-L1201 PolarHBondContact O-N 2.83Å; L1201-A1205 WeakPolarHBondContact O-CB 3.11Å; L1201-A1205 PolarHBondContact O-N 3.01Å
1202	S	84.5	Confident	77.3	Confident	39 Å²	39	57.9 Å²	57.9	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-39.6	176.5	-55.1	0	0	0	0	112.1	R1198 R1199 R1200 A1205 D1206	R1198-S1202 PolarHBondContact O-N 2.87Å; R1198-S1202 VanDerWaalsContact O-N 3.13Å; R1198-S1202 PolarHBondContact O-OG 3.34Å; R1199-S1202 CarbonylContact O-C 3.5Å; R1199-S1202 WeakPolarHBondContact O-CA 3.48Å; R1199-S1202 WeakPolarHBondContact O-CB 3.14Å; R1199-S1202 PolarHBondContact O-N 2.95Å; R1200-S1202 PolarHBondContact O-N 2.84Å; S1202-A1205 WeakPolarHBondContact O-CB 3.33Å; S1202-A1205 PolarHBondContact O-N 3.04Å; S1202-D1206 WeakPolarHBondContact O-CB 3.44Å; S1202-D1206 VanDerWaalsContact O-CG 3.25Å; S1202-D1206 PolarHBondContact O-N 3.24Å
1203	L	85.5	Confident	75.2	Confident	94 Å²	94	62.6 Å²	62.6	49%	0.492	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-48.9	175.3	-71.2	172.8	0	0	0	111.6	R1199 R1200 A1205 D1206 E1207	R1199-L1203 PolarHBondContact O-N 2.86Å; R1200-L1203 PolarHBondContact O-N 3.25Å; L1203-A1205 VanDerWaalsContact C-N 3.31Å; L1203-A1205 PolarHBondContact O-N 3.09Å; L1203-D1206 CarbonylContact O-C 3.47Å; L1203-D1206 PolarHBondContact O-N 3.21Å; L1203-D1206 VanDerWaalsContact O-N 3.11Å; L1203-E1207 WeakPolarHBondContact O-CG 3.48Å; L1203-E1207 PolarHBondContact O-N 2.95Å
1204	L	83	Confident	73.1	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-47.9	175	-73.1	171.5	0	0	0	109.6	I1100 Y1101 I1104 R1200 D1206 E1207 Y1208	I1100-L1204 HydrophobicContact CG2-CD1 3.99Å; Y1101-L1204 HydrophobicContact CD2-CB 4.14Å; I1104-L1204 HydrophobicContact CD1-CD1 3.73Å; R1200-L1204 HydrophobicContact CG-CD1 4.18Å; R1200-L1204 HydrophobicContact CG-CG 4.4Å; R1200-L1204 WeakPolarHBondContact O-CB 3.46Å; R1200-L1204 WeakPolarHBondContact O-CG 3.33Å; R1200-L1204 PolarHBondContact O-N 3.32Å; L1204-D1206 VanDerWaalsContact C-N 3.34Å; L1204-D1206 PolarHBondContact O-N 2.61Å; L1204-E1207 WeakPolarHBondContact O-CB 3.45Å; L1204-E1207 PolarHBondContact O-N 3.12Å; L1204-E1207 VanDerWaalsContact O-N 3.16Å; L1204-Y1208 HydrophobicContact CB-CE2 3.76Å; L1204-Y1208 WeakPolarHBondContact O-CD2 3.36Å; L1204-Y1208 WeakPolarHBondContact O-CE2 3.49Å; L1204-Y1208 PolarHBondContact O-N 3.36Å
1205	A	74.1	Confident	70.9	Confident	5 Å²	5	74.9 Å²	74.9	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-49	-54.1	172.4	0	0	0	0	0	111.7	Y1101 L1201 S1202 L1203 E1207 Y1208 F1209	Y1101-A1205 HydrophobicContact CE2-CB 4.12Å; L1201-A1205 WeakPolarHBondContact O-CB 3.11Å; L1201-A1205 PolarHBondContact O-N 3.01Å; S1202-A1205 WeakPolarHBondContact O-CB 3.33Å; S1202-A1205 PolarHBondContact O-N 3.04Å; L1203-A1205 VanDerWaalsContact C-N 3.31Å; L1203-A1205 PolarHBondContact O-N 3.09Å; A1205-E1207 PolarHBondContact O-N 2.81Å; A1205-Y1208 PolarHBondContact O-N 3.25Å; A1205-F1209 HydrophobicContact CB-CD2 4.49Å; A1205-F1209 HydrophobicContact CB-CE2 4.14Å; A1205-F1209 WeakPolarHBondContact O-CD2 3.32Å; A1205-F1209 WeakPolarHBondContact O-CE2 3.41Å; A1205-F1209 WeakPolarHBondContact O-CG 3.42Å; A1205-F1209 PolarHBondContact O-N 3.31Å
1206	D	72	Confident	68.5	Low	54 Å²	54	73.3 Å²	73.3	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-37.8	-179.2	-67.5	-21.4	0	0	0	112	S1202 L1203 L1204 F1209 F1210 K1241	S1202-D1206 WeakPolarHBondContact O-CB 3.44Å; S1202-D1206 VanDerWaalsContact O-CG 3.25Å; S1202-D1206 PolarHBondContact O-N 3.24Å; L1203-D1206 CarbonylContact O-C 3.47Å; L1203-D1206 PolarHBondContact O-N 3.21Å; L1203-D1206 VanDerWaalsContact O-N 3.11Å; L1204-D1206 VanDerWaalsContact C-N 3.34Å; L1204-D1206 PolarHBondContact O-N 2.61Å; D1206-F1209 PolarHBondContact O-N 3.24Å; D1206-F1210 PolarHBondContact O-N 2.8Å; D1206-K1241 IonicContact OD1-NZ 2.64Å; D1206-K1241 PolarHBondContact OD1-NZ 3.18Å; D1206-K1241 IonicContact OD2-NZ 3.19Å; D1206-K1241 PolarHBondContact OD2-NZ 2.7Å
1207	E	70.5	Confident	65.9	Low	80 Å²	80	81.7 Å²	81.7	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.5	-75.9	173.5	-153.7	0	0	112	R1200 L1203 L1204 A1205 F1209 F1211	R1200-E1207 IonicContact NH1-OE1 2.72Å; L1203-E1207 WeakPolarHBondContact O-CG 3.48Å; L1203-E1207 PolarHBondContact O-N 2.95Å; L1204-E1207 WeakPolarHBondContact O-CB 3.45Å; L1204-E1207 PolarHBondContact O-N 3.12Å; L1204-E1207 VanDerWaalsContact O-N 3.16Å; A1205-E1207 PolarHBondContact O-N 2.81Å; E1207-F1209 VanDerWaalsContact C-N 3.3Å; E1207-F1209 PolarHBondContact O-N 3.18Å; E1207-F1211 PolarHBondContact O-N 2.62Å
1208	Y	66.6	Low	63.6	Low	23 Å²	23	88.4 Å²	88.4	9%	0.09	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-41.5	174	-61	-71.5	0	0	0	112.1	L1094 K1097 F1098 Y1101 L1204 A1205	L1094-Y1208 HydrophobicContact CD1-CD1 4.41Å; K1097-Y1208 VanDerWaalsContact C-CZ 3.47Å; K1097-Y1208 HydrophobicContact CB-CD1 3.99Å; K1097-Y1208 HydrophobicContact CB-CE1 3.13Å; K1097-Y1208 HydrophobicContact CG-CE1 4.39Å; K1097-Y1208 VanDerWaalsContact O-CZ 3.27Å; K1097-Y1208 PolarHBondContact O-OH 2.94Å; F1098-Y1208 VanDerWaalsContact N-CE1 3.32Å; Y1101-Y1208 VanDerWaalsContact CB-OH 3.29Å; Y1101-Y1208 WeakPolarHBondContact CB-OH 3.4Å; Y1101-Y1208 AromaticContact CD2-CE2 3.94Å; Y1101-Y1208 HydrophobicContact CD2-CE2 3.94Å; Y1101-Y1208 AromaticContact CG-CE2 3.91Å; Y1101-Y1208 HydrophobicContact CG-CE2 3.91Å; L1204-Y1208 HydrophobicContact CB-CE2 3.76Å; L1204-Y1208 WeakPolarHBondContact O-CD2 3.36Å; L1204-Y1208 WeakPolarHBondContact O-CE2 3.49Å; L1204-Y1208 PolarHBondContact O-N 3.36Å; A1205-Y1208 PolarHBondContact O-N 3.25Å
1209	F	53.7	Low	61.1	Low	37 Å²	37	88.8 Å²	88.8	16%	0.162	42%	0.415	C	S	.	.	H	α-helix	trans	-77.4	-25.1	-173.3	-66.5	-50.6	0	0	0	112.7	A1205 D1206 E1207 I1230 I1233 L1242 M1245	A1205-F1209 HydrophobicContact CB-CD2 4.49Å; A1205-F1209 HydrophobicContact CB-CE2 4.14Å; A1205-F1209 WeakPolarHBondContact O-CD2 3.32Å; A1205-F1209 WeakPolarHBondContact O-CE2 3.41Å; A1205-F1209 WeakPolarHBondContact O-CG 3.42Å; A1205-F1209 PolarHBondContact O-N 3.31Å; D1206-F1209 PolarHBondContact O-N 3.24Å; E1207-F1209 VanDerWaalsContact C-N 3.3Å; E1207-F1209 PolarHBondContact O-N 3.18Å; F1209-I1230 HydrophobicContact CD1-CD1 3.82Å; F1209-I1230 HydrophobicContact CD1-CG1 3.98Å; F1209-I1230 HydrophobicContact CE1-CD1 3.5Å; F1209-I1230 HydrophobicContact CE1-CG1 3.14Å; F1209-I1230 HydrophobicContact CZ-CD1 4.29Å; F1209-I1230 HydrophobicContact CZ-CG1 3.68Å; F1209-I1233 HydrophobicContact CZ-CD1 4.49Å; F1209-L1242 HydrophobicContact CE2-CD2 3.94Å; F1209-L1242 HydrophobicContact CE2-CG 4.15Å; F1209-L1242 HydrophobicContact CZ-CD2 3.58Å; F1209-L1242 HydrophobicContact CZ-CG 4.27Å; F1209-M1245 HydrophobicContact CB-CE 4.09Å; F1209-M1245 HydrophobicContact CD1-CE 3.83Å; F1209-M1245 HydrophobicContact CD2-CE 4Å; F1209-M1245 HydrophobicContact CD2-SD 4.35Å; F1209-M1245 HydrophobicContact CE1-CE 4.44Å; F1209-M1245 HydrophobicContact CG-CE 3.66Å
1210	F	48.4	Very low	59.3	Low	151 Å²	151	85.4 Å²	85.4	66%	0.662	42%	0.415	S	S	*	.	H	α-helix	trans	-87.2	-31.4	176.8	-100.8	-87.9	0	0	0	114.3	D1206 D1212 F1213 V1214	D1206-F1210 PolarHBondContact O-N 2.8Å; F1210-D1212 PolarHBondContact O-N 3.21Å; F1210-F1213 PolarHBondContact O-N 2.9Å; F1210-V1214 HydrophobicContact CD1-CG2 4.41Å
1211	F	44.7	Very low	57.2	Low	119 Å²	119	87.5 Å²	87.5	52%	0.522	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-37	-172	-138.2	-98.8	0	0	0	113.3	E1207	E1207-F1211 PolarHBondContact O-N 2.62Å
1212	D	45.8	Very low	55.5	Low	68 Å²	68	87.9 Å²	87.9	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-87.4	-21.1	178.9	-88.6	-27	0	0	0	114.6	F1210 V1214 S1216	F1210-D1212 PolarHBondContact O-N 3.21Å; D1212-V1214 VanDerWaalsContact C-N 3.32Å; D1212-V1214 PolarHBondContact O-N 3.13Å; D1212-S1216 PolarHBondContact O-OG 3.46Å
1213	F	40.9	Very low	53.8	Low	129 Å²	129	86.9 Å²	86.9	57%	0.566	42%	0.422	S	S	*	.	H	α-helix	trans	-75.5	-22.8	-177.4	-154	-94.1	0	0	0	112.7	F1210	F1210-F1213 PolarHBondContact O-N 2.9Å
1214	V	43.1	Very low	52.1	Low	104 Å²	104	86.6 Å²	86.6	63%	0.63	42%	0.42	S	S	*	.	H	α-helix	trans	-91.7	-25.2	-177.3	-178.9	0	0	0	0	112.8	F1210 D1212	F1210-V1214 HydrophobicContact CD1-CG2 4.41Å; D1212-V1214 VanDerWaalsContact C-N 3.32Å; D1212-V1214 PolarHBondContact O-N 3.13Å
1215	H	43.8	Very low	50.5	Low	165 Å²	165	87.2 Å²	87.2	76%	0.764	42%	0.423	S	S	*	.	H	α-helix	trans	-99.7	-7.4	-174	-84.4	73.5	0	0	0	115.8
1216	S	39	Very low	49.5	Very low	40 Å²	40	88.4 Å²	88.4	28%	0.28	43%	0.432	S	S	.	.			trans	-110.9	106.5	173.7	64.4	0	0	0	0	111.4	D1212 E1218 S1222	D1212-S1216 PolarHBondContact O-OG 3.46Å; S1216-E1218 PolarHBondContact O-N 3.14Å; S1216-E1218 VanDerWaalsContact O-N 3.12Å; S1216-S1222 WeakPolarHBondContact OG-CB 3.09Å; S1216-S1222 PolarHBondContact OG-OG 3.1Å
1217	R	38.3	Very low	48.5	Very low	253 Å²	253	87 Å²	87	96%	0.955	43%	0.427	S	S	*	.			trans	-68.6	3.4	171.3	-82.3	-171.2	170.5	-165.4	-1.1	113.7
1218	E	41.8	Very low	47.8	Very low	141 Å²	141	90.1 Å²	90.1	66%	0.659	44%	0.435	S	S	*	.			trans	-103.6	86.7	176.7	-71.3	-173.7	165.7	0	0	110.7	S1216 S1220 F1221 S1222	S1216-E1218 PolarHBondContact O-N 3.14Å; S1216-E1218 VanDerWaalsContact O-N 3.12Å; E1218-S1220 PolarHBondContact O-N 3.16Å; E1218-F1221 PolarHBondContact O-N 3Å; E1218-S1222 PolarHBondContact O-OG 3.3Å
1219	L	40	Very low	47.3	Very low	128 Å²	128	90 Å²	90	67%	0.67	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.5	-175.3	-111.1	86.3	0	0	0	115.3	T1223	L1219-T1223 WeakPolarHBondContact O-CB 3.38Å; L1219-T1223 PolarHBondContact O-OG1 2.71Å
1220	S	52.1	Low	47.3	Very low	85 Å²	85	88.3 Å²	88.3	59%	0.594	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-28.4	-177.3	66.9	0	0	0	0	113.3	E1218	E1218-S1220 PolarHBondContact O-N 3.16Å
1221	F	46.5	Very low	47.6	Very low	102 Å²	102	83.9 Å²	83.9	45%	0.447	42%	0.416	S	S	.	.	H	α-helix	trans	-93	-40.5	-169.3	-136.9	-93.6	0	0	0	113	W937 E1218 F1225	W937-F1221 AromaticContact CD1-CD1 3.82Å; W937-F1221 AromaticContact CD1-CE1 3.56Å; W937-F1221 AromaticContact NE1-CD1 3.72Å; W937-F1221 AromaticContact NE1-CE1 3.73Å; E1218-F1221 PolarHBondContact O-N 3Å; F1221-F1225 PolarHBondContact O-N 3.05Å
1222	S	50.1	Low	48	Very low	22 Å²	22	79.1 Å²	79.1	15%	0.154	40%	0.397	C	S	.	.	H	α-helix	trans	-72.7	-28.3	176.6	43.2	0	0	0	0	112.9	S1216 E1218 F1225 A1226	S1216-S1222 WeakPolarHBondContact OG-CB 3.09Å; S1216-S1222 PolarHBondContact OG-OG 3.1Å; E1218-S1222 PolarHBondContact O-OG 3.3Å; S1222-F1225 VanDerWaalsContact O-CB 3.3Å; S1222-F1225 WeakPolarHBondContact O-CB 3.48Å; S1222-F1225 PolarHBondContact O-N 2.96Å; S1222-A1226 PolarHBondContact O-N 3.1Å
1223	T	48.8	Very low	48.3	Very low	17 Å²	17	76.5 Å²	76.5	10%	0.104	38%	0.383	C	S	.	.	H	α-helix	trans	-66.1	-40.8	176.3	-54.9	0	0	0	0	111.8	L1219 C1227 L1249	L1219-T1223 WeakPolarHBondContact O-CB 3.38Å; L1219-T1223 PolarHBondContact O-OG1 2.71Å; T1223-C1227 WeakPolarHBondContact O-CB 3.27Å; T1223-C1227 PolarHBondContact O-N 3.36Å; T1223-C1227 PolarHBondContact O-SG 3Å; T1223-L1249 HydrophobicContact CG2-CD2 3.57Å
1224	L	51.8	Low	48.7	Very low	89 Å²	89	72 Å²	72	47%	0.466	37%	0.367	S	S	.	.	H	α-helix	trans	-67.1	-35	174	-83.2	163.7	0	0	0	112.3	C1227 R1228	L1224-C1227 PolarHBondContact O-N 3.34Å; L1224-R1228 PolarHBondContact O-N 2.86Å
1225	F	49.5	Very low	49.2	Very low	20 Å²	20	69.8 Å²	69.8	9%	0.088	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-58.1	172.3	-173.9	-65.8	0	0	0	111.2	F934 W937 L1094 F1221 S1222 C1227 R1228 I1229	F934-F1225 HydrophobicContact CE1-CE2 4.38Å; F934-F1225 HydrophobicContact CE1-CZ 4.16Å; F934-F1225 HydrophobicContact CZ-CZ 4.33Å; W937-F1225 AromaticContact CD2-CD2 3.34Å; W937-F1225 HydrophobicContact CD2-CD2 3.34Å; W937-F1225 AromaticContact CD2-CE2 3.58Å; W937-F1225 HydrophobicContact CD2-CE2 3.58Å; W937-F1225 HydrophobicContact CD2-CG 4.41Å; W937-F1225 AromaticContact CE2-CD2 3.04Å; W937-F1225 AromaticContact CE2-CE2 3.79Å; W937-F1225 AromaticContact CE2-CG 3.76Å; W937-F1225 AromaticContact CE3-CD2 3.35Å; W937-F1225 HydrophobicContact CE3-CD2 3.35Å; W937-F1225 AromaticContact CE3-CE2 3.11Å; W937-F1225 HydrophobicContact CE3-CE2 3.11Å; W937-F1225 HydrophobicContact CE3-CG 4.41Å; W937-F1225 HydrophobicContact CE3-CZ 4.14Å; W937-F1225 HydrophobicContact CG-CD2 4.36Å; W937-F1225 HydrophobicContact CH2-CB 3.59Å; W937-F1225 AromaticContact CH2-CD1 3.98Å; W937-F1225 HydrophobicContact CH2-CD1 3.98Å; W937-F1225 AromaticContact CH2-CD2 2.92Å; W937-F1225 HydrophobicContact CH2-CD2 2.92Å; W937-F1225 HydrophobicContact CH2-CE1 4.33Å; W937-F1225 AromaticContact CH2-CE2 3.31Å; W937-F1225 HydrophobicContact CH2-CE2 3.31Å; W937-F1225 AromaticContact CH2-CG 3.18Å; W937-F1225 HydrophobicContact CH2-CG 3.18Å; W937-F1225 AromaticContact CH2-CZ 3.97Å; W937-F1225 HydrophobicContact CH2-CZ 3.97Å; W937-F1225 HydrophobicContact CZ2-CB 3.12Å; W937-F1225 HydrophobicContact CZ2-CD1 4.37Å; W937-F1225 AromaticContact CZ2-CD2 2.93Å; W937-F1225 HydrophobicContact CZ2-CD2 2.93Å; W937-F1225 AromaticContact CZ2-CE2 3.77Å; W937-F1225 HydrophobicContact CZ2-CE2 3.77Å; W937-F1225 AromaticContact CZ2-CG 3.2Å; W937-F1225 HydrophobicContact CZ2-CG 3.2Å; W937-F1225 HydrophobicContact CZ3-CD1 4.46Å; W937-F1225 AromaticContact CZ3-CD2 3.11Å; W937-F1225 HydrophobicContact CZ3-CD2 3.11Å; W937-F1225 HydrophobicContact CZ3-CE1 4.38Å; W937-F1225 AromaticContact CZ3-CE2 2.91Å; W937-F1225 HydrophobicContact CZ3-CE2 2.91Å; W937-F1225 AromaticContact CZ3-CG 3.81Å; W937-F1225 HydrophobicContact CZ3-CG 3.81Å; W937-F1225 AromaticContact CZ3-CZ 3.6Å; W937-F1225 HydrophobicContact CZ3-CZ 3.6Å; W937-F1225 AromaticContact NE1-CD2 3.7Å; L1094-F1225 HydrophobicContact CD2-CE1 3.8Å; L1094-F1225 HydrophobicContact CD2-CE2 4.45Å; L1094-F1225 HydrophobicContact CD2-CZ 3.47Å; L1094-F1225 VanDerWaalsContact CD2-CZ 3.47Å; F1221-F1225 PolarHBondContact O-N 3.05Å; S1222-F1225 VanDerWaalsContact O-CB 3.3Å; S1222-F1225 WeakPolarHBondContact O-CB 3.48Å; S1222-F1225 PolarHBondContact O-N 2.96Å; F1225-C1227 VanDerWaalsContact C-N 3.28Å; F1225-C1227 PolarHBondContact O-N 2.95Å; F1225-R1228 PolarHBondContact O-N 3.33Å; F1225-I1229 HydrophobicContact CD1-CD1 4.11Å; F1225-I1229 HydrophobicContact CD1-CG1 4.08Å; F1225-I1229 HydrophobicContact CE1-CB 4.46Å; F1225-I1229 HydrophobicContact CE1-CD1 3.28Å; F1225-I1229 HydrophobicContact CE1-CG1 3.76Å; F1225-I1229 HydrophobicContact CZ-CD1 3.48Å; F1225-I1229 VanDerWaalsContact CZ-CD1 3.48Å; F1225-I1229 HydrophobicContact CZ-CG1 4.27Å; F1225-I1229 PolarHBondContact O-N 3.19Å
1226	A	52.1	Low	49.5	Very low	29 Å²	29	63 Å²	63	24%	0.24	33%	0.325	C	S	.	.	H	α-helix	trans	-55.5	-48.9	177.3	0	0	0	0	0	108.9	S1222 R1228 I1229 I1230	S1222-A1226 PolarHBondContact O-N 3.1Å; A1226-R1228 PolarHBondContact O-N 3.48Å; A1226-I1229 PolarHBondContact O-N 3.2Å; A1226-I1230 HydrophobicContact CB-CD1 3.86Å; A1226-I1230 WeakPolarHBondContact O-CA 3.47Å; A1226-I1230 WeakPolarHBondContact O-CB 3.49Å; A1226-I1230 VanDerWaalsContact O-CD1 3.24Å; A1226-I1230 WeakPolarHBondContact O-CD1 3.4Å; A1226-I1230 WeakPolarHBondContact O-CG1 3.31Å; A1226-I1230 PolarHBondContact O-N 2.93Å
1227	C	50.7	Low	49.9	Very low	26 Å²	26	63.4 Å²	63.4	18%	0.176	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-44.7	-180	-72	0	0	0	0	114.2	T1223 L1224 F1225 S1231 L1249	T1223-C1227 WeakPolarHBondContact O-CB 3.27Å; T1223-C1227 PolarHBondContact O-N 3.36Å; T1223-C1227 PolarHBondContact O-SG 3Å; L1224-C1227 PolarHBondContact O-N 3.34Å; F1225-C1227 VanDerWaalsContact C-N 3.28Å; F1225-C1227 PolarHBondContact O-N 2.95Å; C1227-S1231 WeakPolarHBondContact O-CA 3.3Å; C1227-S1231 WeakPolarHBondContact O-CB 3.39Å; C1227-S1231 PolarHBondContact O-N 3.46Å; C1227-L1249 VanDerWaalsContact SG-CB 3.58Å
1228	R	56.2	Low	50.5	Low	145 Å²	145	55.6 Å²	55.6	55%	0.547	33%	0.333	S	S	.	.	H	α-helix	trans	-74.5	-41.1	-178.4	-99.7	179.9	172.9	161.6	-1.7	112.4	L1224 F1225 A1226 S1231 T1232	L1224-R1228 PolarHBondContact O-N 2.86Å; F1225-R1228 PolarHBondContact O-N 3.33Å; A1226-R1228 PolarHBondContact O-N 3.48Å; R1228-S1231 PolarHBondContact O-N 2.96Å; R1228-T1232 WeakPolarHBondContact O-CB 3.45Å; R1228-T1232 PolarHBondContact O-N 3.48Å; R1228-T1232 PolarHBondContact O-OG1 2.81Å
1229	I	56.1	Low	51	Low	21 Å²	21	50.7 Å²	50.7	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-45.6	174.4	-64.6	-145.5	0	0	0	109.7	A933 F934 F1225 A1226 S1231 T1232 I1233	A933-I1229 HydrophobicContact CB-CG1 4.21Å; F934-I1229 HydrophobicContact CE2-CD1 4.33Å; F1225-I1229 HydrophobicContact CD1-CD1 4.11Å; F1225-I1229 HydrophobicContact CD1-CG1 4.08Å; F1225-I1229 HydrophobicContact CE1-CB 4.46Å; F1225-I1229 HydrophobicContact CE1-CD1 3.28Å; F1225-I1229 HydrophobicContact CE1-CG1 3.76Å; F1225-I1229 HydrophobicContact CZ-CD1 3.48Å; F1225-I1229 VanDerWaalsContact CZ-CD1 3.48Å; F1225-I1229 HydrophobicContact CZ-CG1 4.27Å; F1225-I1229 PolarHBondContact O-N 3.19Å; A1226-I1229 PolarHBondContact O-N 3.2Å; I1229-S1231 PolarHBondContact O-N 3.22Å; I1229-T1232 CarbonylContact O-C 3.36Å; I1229-T1232 WeakPolarHBondContact O-CA 3.32Å; I1229-T1232 WeakPolarHBondContact O-CB 2.96Å; I1229-T1232 PolarHBondContact O-N 3.47Å; I1229-T1232 VanDerWaalsContact O-N 3.11Å; I1229-I1233 HydrophobicContact CG2-CD1 3.61Å; I1229-I1233 HydrophobicContact CG2-CG1 4.18Å; I1229-I1233 WeakPolarHBondContact O-CB 3.42Å; I1229-I1233 WeakPolarHBondContact O-CG1 3.25Å; I1229-I1233 PolarHBondContact O-N 2.94Å
1230	I	53.7	Low	51.8	Low	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-44.8	174.2	-67.5	165.8	0	0	0	110.6	F1209 A1226 T1232 I1233 S1234 L1242 M1245 L1246 L1249	F1209-I1230 HydrophobicContact CD1-CD1 3.82Å; F1209-I1230 HydrophobicContact CD1-CG1 3.98Å; F1209-I1230 HydrophobicContact CE1-CD1 3.5Å; F1209-I1230 HydrophobicContact CE1-CG1 3.14Å; F1209-I1230 HydrophobicContact CZ-CD1 4.29Å; F1209-I1230 HydrophobicContact CZ-CG1 3.68Å; A1226-I1230 HydrophobicContact CB-CD1 3.86Å; A1226-I1230 WeakPolarHBondContact O-CA 3.47Å; A1226-I1230 WeakPolarHBondContact O-CB 3.49Å; A1226-I1230 VanDerWaalsContact O-CD1 3.24Å; A1226-I1230 WeakPolarHBondContact O-CD1 3.4Å; A1226-I1230 WeakPolarHBondContact O-CG1 3.31Å; A1226-I1230 PolarHBondContact O-N 2.93Å; I1230-T1232 VanDerWaalsContact C-N 3.27Å; I1230-T1232 PolarHBondContact O-N 3.42Å; I1230-I1233 CarbonylContact O-C 3.17Å; I1230-I1233 PolarHBondContact O-N 2.96Å; I1230-S1234 WeakPolarHBondContact O-CB 3.25Å; I1230-S1234 PolarHBondContact O-N 3.45Å; I1230-L1242 HydrophobicContact CB-CD2 4.08Å; I1230-L1242 HydrophobicContact CG1-CD2 4.08Å; I1230-L1242 HydrophobicContact CG2-CD2 3.35Å; I1230-M1245 HydrophobicContact CD1-CE 3.85Å; I1230-L1246 HydrophobicContact CB-CD1 4.38Å; I1230-L1246 HydrophobicContact CG2-CB 4.35Å; I1230-L1246 HydrophobicContact CG2-CD1 3.34Å; I1230-L1246 HydrophobicContact CG2-CG 3.66Å; I1230-L1249 HydrophobicContact CD1-CD1 3.72Å
1231	S	54.6	Low	51.8	Low	59 Å²	59	52.4 Å²	52.4	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-40.1	175.3	-175.5	0	0	0	0	111.5	C1227 R1228 I1229 S1235	C1227-S1231 WeakPolarHBondContact O-CA 3.3Å; C1227-S1231 WeakPolarHBondContact O-CB 3.39Å; C1227-S1231 PolarHBondContact O-N 3.46Å; R1228-S1231 PolarHBondContact O-N 2.96Å; I1229-S1231 PolarHBondContact O-N 3.22Å; S1231-S1235 VanDerWaalsContact O-CB 3.3Å; S1231-S1235 WeakPolarHBondContact O-CB 3.27Å; S1231-S1235 PolarHBondContact O-N 2.98Å
1232	T	53.5	Low	52	Low	19 Å²	19	47.8 Å²	47.8	12%	0.117	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-46.2	175.5	-56.7	0	0	0	0	110	R929 R1228 I1229 I1230 S1235 F1236	R929-T1232 HydrophobicContact CB-CG2 3.59Å; R929-T1232 HydrophobicContact CG-CG2 4.47Å; R1228-T1232 WeakPolarHBondContact O-CB 3.45Å; R1228-T1232 PolarHBondContact O-N 3.48Å; R1228-T1232 PolarHBondContact O-OG1 2.81Å; I1229-T1232 CarbonylContact O-C 3.36Å; I1229-T1232 WeakPolarHBondContact O-CA 3.32Å; I1229-T1232 WeakPolarHBondContact O-CB 2.96Å; I1229-T1232 PolarHBondContact O-N 3.47Å; I1229-T1232 VanDerWaalsContact O-N 3.11Å; I1230-T1232 VanDerWaalsContact C-N 3.27Å; I1230-T1232 PolarHBondContact O-N 3.42Å; T1232-S1235 PolarHBondContact O-N 3.44Å; T1232-S1235 PolarHBondContact O-OG 2.8Å; T1232-F1236 HydrophobicContact CG2-CE2 3.75Å; T1232-F1236 HydrophobicContact CG2-CZ 3.66Å; T1232-F1236 WeakPolarHBondContact O-CD2 3.35Å; T1232-F1236 WeakPolarHBondContact O-CE2 3.47Å; T1232-F1236 WeakPolarHBondContact O-CZ 3.09Å
1233	I	51.5	Low	52.1	Low	12 Å²	12	49.6 Å²	49.6	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-47.6	176.9	-66.9	168.6	0	0	0	111.5	F1098 Y1101 F1209 I1229 I1230 S1235 F1236 L1242	F1098-I1233 HydrophobicContact CD2-CD1 4.33Å; F1098-I1233 HydrophobicContact CE2-CD1 4Å; F1098-I1233 HydrophobicContact CE2-CG1 3.78Å; Y1101-I1233 HydrophobicContact CE1-CG2 4.13Å; F1209-I1233 HydrophobicContact CZ-CD1 4.49Å; I1229-I1233 HydrophobicContact CG2-CD1 3.61Å; I1229-I1233 HydrophobicContact CG2-CG1 4.18Å; I1229-I1233 WeakPolarHBondContact O-CB 3.42Å; I1229-I1233 WeakPolarHBondContact O-CG1 3.25Å; I1229-I1233 PolarHBondContact O-N 2.94Å; I1230-I1233 CarbonylContact O-C 3.17Å; I1230-I1233 PolarHBondContact O-N 2.96Å; I1233-S1235 VanDerWaalsContact C-N 3.32Å; I1233-S1235 PolarHBondContact O-N 3.3Å; I1233-F1236 VanDerWaalsContact O-CB 3.3Å; I1233-F1236 WeakPolarHBondContact O-CB 3.27Å; I1233-F1236 PolarHBondContact O-N 3.02Å; I1233-L1242 HydrophobicContact CB-CD2 4.5Å; I1233-L1242 HydrophobicContact CG2-CD1 3.53Å; I1233-L1242 HydrophobicContact CG2-CD2 4.21Å
1234	S	50.6	Low	52.5	Low	34 Å²	34	56.4 Å²	56.4	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-38.4	178.4	167.4	0	0	0	0	111.8	I1230 F1236 G1237 L1246	I1230-S1234 WeakPolarHBondContact O-CB 3.25Å; I1230-S1234 PolarHBondContact O-N 3.45Å; S1234-F1236 PolarHBondContact O-N 3.33Å; S1234-G1237 PolarHBondContact O-N 3.18Å; S1234-L1246 WeakPolarHBondContact OG-CD1 3.49Å
1235	S	53	Low	52.3	Low	59 Å²	59	55 Å²	55	41%	0.413	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.4	176.6	77.4	0	0	0	0	113.2	R929 S1231 T1232 I1233 G1237	R929-S1235 PolarHBondContact NH1-OG 3.5Å; S1231-S1235 VanDerWaalsContact O-CB 3.3Å; S1231-S1235 WeakPolarHBondContact O-CB 3.27Å; S1231-S1235 PolarHBondContact O-N 2.98Å; T1232-S1235 PolarHBondContact O-N 3.44Å; T1232-S1235 PolarHBondContact O-OG 2.8Å; I1233-S1235 VanDerWaalsContact C-N 3.32Å; I1233-S1235 PolarHBondContact O-N 3.3Å; S1235-G1237 VanDerWaalsContact C-N 3.34Å
1236	F	49.5	Very low	52.3	Low	22 Å²	22	55.5 Å²	55.5	10%	0.096	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.8	173.4	-54.7	-50.3	0	0	0	114.3	K924 V926 T1232 I1233 S1234	K924-F1236 HydrophobicContact CB-CD1 4.4Å; K924-F1236 HydrophobicContact CB-CE1 4.21Å; K924-F1236 HydrophobicContact CD-CD1 4.21Å; V926-F1236 HydrophobicContact CB-CE1 4.11Å; V926-F1236 HydrophobicContact CB-CZ 3.81Å; V926-F1236 HydrophobicContact CG1-CE1 4.39Å; V926-F1236 HydrophobicContact CG1-CE2 4.06Å; V926-F1236 HydrophobicContact CG1-CZ 3.66Å; V926-F1236 HydrophobicContact CG2-CD1 4.05Å; V926-F1236 HydrophobicContact CG2-CE1 3.26Å; V926-F1236 HydrophobicContact CG2-CE2 4.28Å; V926-F1236 HydrophobicContact CG2-CZ 3.42Å; V926-F1236 VanDerWaalsContact CG2-CZ 3.42Å; T1232-F1236 HydrophobicContact CG2-CE2 3.75Å; T1232-F1236 HydrophobicContact CG2-CZ 3.66Å; T1232-F1236 WeakPolarHBondContact O-CD2 3.35Å; T1232-F1236 WeakPolarHBondContact O-CE2 3.47Å; T1232-F1236 WeakPolarHBondContact O-CZ 3.09Å; I1233-F1236 VanDerWaalsContact O-CB 3.3Å; I1233-F1236 WeakPolarHBondContact O-CB 3.27Å; I1233-F1236 PolarHBondContact O-N 3.02Å; S1234-F1236 PolarHBondContact O-N 3.33Å
1237	G	46.9	Very low	52.5	Low	49 Å²	49	57.9 Å²	57.9	51%	0.505	32%	0.323	S	S	.	.			trans	80.2	148.3	173.6	0	0	0	0	0	114.8	S1234 S1235	S1234-G1237 PolarHBondContact O-N 3.18Å; S1235-G1237 VanDerWaalsContact C-N 3.34Å
1238	G	51.1	Low	52.7	Low	88 Å²	88	60.7 Å²	60.7	91%	0.907	34%	0.34	S	S	*	.			trans	107.2	3.3	156.3	0	0	0	0	0	119.1
1239	N	53.2	Low	52.1	Low	38 Å²	38	55.3 Å²	55.3	20%	0.203	32%	0.322	C	S	.	.			trans	-127.5	100.1	175.3	-170.7	-20.5	0	0	0	111.6	K1241 L1242 V1243	N1239-K1241 PolarHBondContact O-N 3.33Å; N1239-K1241 VanDerWaalsContact OD1-CB 3.25Å; N1239-K1241 WeakPolarHBondContact OD1-CB 3.22Å; N1239-K1241 PolarHBondContact OD1-N 2.72Å; N1239-L1242 HydrophobicContact CB-CB 3.9Å; N1239-L1242 HydrophobicContact CB-CD1 3.82Å; N1239-L1242 HydrophobicContact CB-CG 4.41Å; N1239-L1242 WeakPolarHBondContact O-CB 3.27Å; N1239-L1242 PolarHBondContact O-N 2.77Å; N1239-L1242 VanDerWaalsContact O-N 3.15Å; N1239-L1242 PolarHBondContact OD1-N 3.13Å; N1239-V1243 PolarHBondContact O-N 2.8Å
1240	E	56.1	Low	51.9	Low	139 Å²	139	63 Å²	63	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-57	-32.4	177.2	-86	-165.6	-176.7	0	0	112.9	V1243 R1244	E1240-V1243 PolarHBondContact O-N 3.33Å; E1240-R1244 WeakPolarHBondContact O-CB 3.25Å; E1240-R1244 WeakPolarHBondContact O-CG 3.47Å; E1240-R1244 PolarHBondContact O-N 3.28Å; E1240-R1244 IonicContact OE2-NH2 2.78Å; E1240-R1244 PolarHBondContact OE2-NH2 3.37Å
1241	K	51.9	Low	52	Low	110 Å²	110	68.3 Å²	68.3	48%	0.478	38%	0.377	S	S	.	.	H	α-helix	trans	-67.5	-40.9	179.5	-151	-173.1	179	-159.3	0	110.2	D1206 N1239 R1244 M1245	D1206-K1241 IonicContact OD1-NZ 2.64Å; D1206-K1241 PolarHBondContact OD1-NZ 3.18Å; D1206-K1241 IonicContact OD2-NZ 3.19Å; D1206-K1241 PolarHBondContact OD2-NZ 2.7Å; N1239-K1241 PolarHBondContact O-N 3.33Å; N1239-K1241 VanDerWaalsContact OD1-CB 3.25Å; N1239-K1241 WeakPolarHBondContact OD1-CB 3.22Å; N1239-K1241 PolarHBondContact OD1-N 2.72Å; K1241-R1244 PolarHBondContact O-N 3.17Å; K1241-M1245 WeakPolarHBondContact O-CB 2.88Å; K1241-M1245 PolarHBondContact O-N 2.92Å
1242	L	50.7	Low	51.8	Low	5 Å²	5	69.5 Å²	69.5	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-64.6	-42.8	172.7	-104.7	159.9	0	0	0	112	F1209 I1230 I1233 N1239 M1245 L1246	F1209-L1242 HydrophobicContact CE2-CD2 3.94Å; F1209-L1242 HydrophobicContact CE2-CG 4.15Å; F1209-L1242 HydrophobicContact CZ-CD2 3.58Å; F1209-L1242 HydrophobicContact CZ-CG 4.27Å; I1230-L1242 HydrophobicContact CB-CD2 4.08Å; I1230-L1242 HydrophobicContact CG1-CD2 4.08Å; I1230-L1242 HydrophobicContact CG2-CD2 3.35Å; I1233-L1242 HydrophobicContact CB-CD2 4.5Å; I1233-L1242 HydrophobicContact CG2-CD1 3.53Å; I1233-L1242 HydrophobicContact CG2-CD2 4.21Å; N1239-L1242 HydrophobicContact CB-CB 3.9Å; N1239-L1242 HydrophobicContact CB-CD1 3.82Å; N1239-L1242 HydrophobicContact CB-CG 4.41Å; N1239-L1242 WeakPolarHBondContact O-CB 3.27Å; N1239-L1242 PolarHBondContact O-N 2.77Å; N1239-L1242 VanDerWaalsContact O-N 3.15Å; N1239-L1242 PolarHBondContact OD1-N 3.13Å; L1242-M1245 PolarHBondContact O-N 3.3Å; L1242-L1246 WeakPolarHBondContact O-CB 3.27Å; L1242-L1246 PolarHBondContact O-N 3.17Å
1243	V	53.6	Low	51.4	Low	61 Å²	61	73.3 Å²	73.3	37%	0.37	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-41.4	174.4	175.4	0	0	0	0	110.9	N1239 E1240 L1246 N1247	N1239-V1243 PolarHBondContact O-N 2.8Å; E1240-V1243 PolarHBondContact O-N 3.33Å; V1243-L1246 VanDerWaalsContact O-CB 3.32Å; V1243-L1246 WeakPolarHBondContact O-CB 3.42Å; V1243-L1246 PolarHBondContact O-N 3.28Å; V1243-N1247 VanDerWaalsContact O-CG 3.28Å; V1243-N1247 PolarHBondContact O-N 3.2Å; V1243-N1247 PolarHBondContact O-ND2 3.16Å
1244	R	56.6	Low	51.3	Low	159 Å²	159	76.5 Å²	76.5	60%	0.6	42%	0.422	S	S	*	.	H	α-helix	trans	-64	-46.6	174.2	-76.7	-176.7	-155.9	-179.3	9.3	111.4	E1240 K1241 L1246 N1247 T1248	E1240-R1244 WeakPolarHBondContact O-CB 3.25Å; E1240-R1244 WeakPolarHBondContact O-CG 3.47Å; E1240-R1244 PolarHBondContact O-N 3.28Å; E1240-R1244 IonicContact OE2-NH2 2.78Å; E1240-R1244 PolarHBondContact OE2-NH2 3.37Å; K1241-R1244 PolarHBondContact O-N 3.17Å; R1244-L1246 VanDerWaalsContact C-N 3.28Å; R1244-L1246 PolarHBondContact O-N 2.83Å; R1244-N1247 CarbonylContact O-C 3.45Å; R1244-N1247 PolarHBondContact O-N 2.78Å; R1244-N1247 VanDerWaalsContact O-N 3.08Å; R1244-T1248 PolarHBondContact O-N 2.87Å; R1244-T1248 PolarHBondContact O-OG1 3.25Å
1245	M	48.1	Very low	50.7	Low	60 Å²	60	82 Å²	82	30%	0.296	44%	0.442	S	S	.	.	H	α-helix	trans	-58.1	-41.2	174	-95.6	176.4	64.1	0	0	111.7	F1209 I1230 K1241 L1242 N1247 T1248 L1249	F1209-M1245 HydrophobicContact CB-CE 4.09Å; F1209-M1245 HydrophobicContact CD1-CE 3.83Å; F1209-M1245 HydrophobicContact CD2-CE 4Å; F1209-M1245 HydrophobicContact CD2-SD 4.35Å; F1209-M1245 HydrophobicContact CE1-CE 4.44Å; F1209-M1245 HydrophobicContact CG-CE 3.66Å; I1230-M1245 HydrophobicContact CD1-CE 3.85Å; K1241-M1245 WeakPolarHBondContact O-CB 2.88Å; K1241-M1245 PolarHBondContact O-N 2.92Å; L1242-M1245 PolarHBondContact O-N 3.3Å; M1245-N1247 PolarHBondContact O-N 2.76Å; M1245-T1248 PolarHBondContact O-N 2.71Å; M1245-L1249 VanDerWaalsContact O-CB 3.25Å; M1245-L1249 WeakPolarHBondContact O-CB 3.49Å; M1245-L1249 WeakPolarHBondContact O-CD1 3.36Å; M1245-L1249 VanDerWaalsContact O-CG 3.29Å; M1245-L1249 WeakPolarHBondContact O-CG 3.34Å; M1245-L1249 PolarHBondContact O-N 3.39Å
1246	L	49.3	Very low	50.1	Low	30 Å²	30	84.7 Å²	84.7	16%	0.157	46%	0.457	C	S	.	.	H	α-helix	trans	-58.2	-47.1	172.5	-117.4	136.9	0	0	0	112	I1230 S1234 L1242 V1243 R1244 L1249 R1250	I1230-L1246 HydrophobicContact CB-CD1 4.38Å; I1230-L1246 HydrophobicContact CG2-CB 4.35Å; I1230-L1246 HydrophobicContact CG2-CD1 3.34Å; I1230-L1246 HydrophobicContact CG2-CG 3.66Å; S1234-L1246 WeakPolarHBondContact OG-CD1 3.49Å; L1242-L1246 WeakPolarHBondContact O-CB 3.27Å; L1242-L1246 PolarHBondContact O-N 3.17Å; V1243-L1246 VanDerWaalsContact O-CB 3.32Å; V1243-L1246 WeakPolarHBondContact O-CB 3.42Å; V1243-L1246 PolarHBondContact O-N 3.28Å; R1244-L1246 VanDerWaalsContact C-N 3.28Å; R1244-L1246 PolarHBondContact O-N 2.83Å; L1246-L1249 PolarHBondContact O-N 3.43Å; L1246-R1250 WeakPolarHBondContact O-CB 3.25Å; L1246-R1250 PolarHBondContact O-N 2.9Å
1247	N	56.6	Low	49.8	Very low	80 Å²	80	92.2 Å²	92.2	43%	0.428	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-43.1	179.1	-69.6	-21.7	0	0	0	111	V1243 R1244 M1245 L1249 R1250 D1251	V1243-N1247 VanDerWaalsContact O-CG 3.28Å; V1243-N1247 PolarHBondContact O-N 3.2Å; V1243-N1247 PolarHBondContact O-ND2 3.16Å; R1244-N1247 CarbonylContact O-C 3.45Å; R1244-N1247 PolarHBondContact O-N 2.78Å; R1244-N1247 VanDerWaalsContact O-N 3.08Å; M1245-N1247 PolarHBondContact O-N 2.76Å; N1247-L1249 PolarHBondContact O-N 3.17Å; N1247-R1250 PolarHBondContact O-N 3.2Å; N1247-D1251 WeakPolarHBondContact O-CB 3.27Å; N1247-D1251 PolarHBondContact O-N 3.22Å
1248	T	53.7	Low	49.6	Very low	85 Å²	85	97.9 Å²	97.9	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-44	176.1	-46.3	0	0	0	0	111.5	R1244 M1245 R1250 D1251 V1252	R1244-T1248 PolarHBondContact O-N 2.87Å; R1244-T1248 PolarHBondContact O-OG1 3.25Å; M1245-T1248 PolarHBondContact O-N 2.71Å; T1248-R1250 VanDerWaalsContact C-N 3.32Å; T1248-R1250 PolarHBondContact O-N 3.37Å; T1248-D1251 PolarHBondContact O-N 3.11Å; T1248-V1252 WeakPolarHBondContact O-CG2 3.37Å; T1248-V1252 PolarHBondContact O-N 3.29Å
1249	L	43.5	Very low	49	Very low	32 Å²	32	98.3 Å²	98.3	17%	0.168	50%	0.5	C	S	.	.	H	α-helix	trans	-66.1	-36.1	176.6	-78.5	164	0	0	0	111.8	T1223 C1227 I1230 M1245 L1246 N1247 D1251 V1252 H1253	T1223-L1249 HydrophobicContact CG2-CD2 3.57Å; C1227-L1249 VanDerWaalsContact SG-CB 3.58Å; I1230-L1249 HydrophobicContact CD1-CD1 3.72Å; M1245-L1249 VanDerWaalsContact O-CB 3.25Å; M1245-L1249 WeakPolarHBondContact O-CB 3.49Å; M1245-L1249 WeakPolarHBondContact O-CD1 3.36Å; M1245-L1249 VanDerWaalsContact O-CG 3.29Å; M1245-L1249 WeakPolarHBondContact O-CG 3.34Å; M1245-L1249 PolarHBondContact O-N 3.39Å; L1246-L1249 PolarHBondContact O-N 3.43Å; N1247-L1249 PolarHBondContact O-N 3.17Å; L1249-D1251 VanDerWaalsContact C-N 3.34Å; L1249-V1252 PolarHBondContact O-N 2.79Å; L1249-H1253 PolarHBondContact O-N 3.11Å
1250	R	53.1	Low	48.2	Very low	183 Å²	183	103.9 Å²	103.9	69%	0.691	53%	0.53	S	S	*	.	H	α-helix	trans	-67.9	-34.7	174	-154.9	177.6	-160.7	177.5	3.7	111.9	L1246 N1247 T1248 H1253 S1254	L1246-R1250 WeakPolarHBondContact O-CB 3.25Å; L1246-R1250 PolarHBondContact O-N 2.9Å; N1247-R1250 PolarHBondContact O-N 3.2Å; T1248-R1250 VanDerWaalsContact C-N 3.32Å; T1248-R1250 PolarHBondContact O-N 3.37Å; R1250-H1253 PolarHBondContact O-N 3.22Å; R1250-S1254 WeakPolarHBondContact O-CB 3.34Å; R1250-S1254 PolarHBondContact O-N 2.69Å; R1250-S1254 PolarHBondContact O-OG 2.62Å
1251	D	55.1	Low	47.2	Very low	110 Å²	110	106.6 Å²	106.6	59%	0.588	54%	0.542	S	S	*	.	H	α-helix	trans	-71.9	-31.9	173.8	-77.3	-13.3	0	0	0	112.7	N1247 T1248 L1249 S1254	N1247-D1251 WeakPolarHBondContact O-CB 3.27Å; N1247-D1251 PolarHBondContact O-N 3.22Å; T1248-D1251 PolarHBondContact O-N 3.11Å; L1249-D1251 VanDerWaalsContact C-N 3.34Å; D1251-S1254 WeakPolarHBondContact CA-OG 3.31Å; D1251-S1254 PolarHBondContact O-OG 3.25Å; D1251-S1254 VanDerWaalsContact O-OG 3.07Å
1252	V	50.7	Low	46.3	Very low	85 Å²	85	105.8 Å²	105.8	52%	0.515	56%	0.557	S	S	.	*	H	α-helix	trans	-69.7	-39.8	172.4	173.5	0	0	0	0	110.5	T1248 L1249	T1248-V1252 WeakPolarHBondContact O-CG2 3.37Å; T1248-V1252 PolarHBondContact O-N 3.29Å; L1249-V1252 PolarHBondContact O-N 2.79Å
1253	H	44.5	Very low	45.5	Very low	98 Å²	98	114.9 Å²	114.9	45%	0.454	60%	0.598	S	S	.	*	H	α-helix	trans	-78.9	-16.1	179.4	-103.1	-57.3	0	0	0	115.2	L1249 R1250 K1255	L1249-H1253 PolarHBondContact O-N 3.11Å; R1250-H1253 PolarHBondContact O-N 3.22Å; H1253-K1255 PolarHBondContact O-N 3.4Å
1254	S	50	Low	44.5	Very low	80 Å²	80	117.2 Å²	117.2	56%	0.559	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-2.6	176.1	56.3	0	0	0	0	113.4	R1250 D1251 P1256	R1250-S1254 WeakPolarHBondContact O-CB 3.34Å; R1250-S1254 PolarHBondContact O-N 2.69Å; R1250-S1254 PolarHBondContact O-OG 2.62Å; D1251-S1254 WeakPolarHBondContact CA-OG 3.31Å; D1251-S1254 PolarHBondContact O-OG 3.25Å; D1251-S1254 VanDerWaalsContact O-OG 3.07Å; S1254-P1256 WeakPolarHBondContact O-CD 3.37Å
1255	K	37.9	Very low	43.6	Very low	149 Å²	149	115.8 Å²	115.8	65%	0.648	63%	0.629	S	S	*	*	S	Bend	trans	-77.5	119.9	169.5	-75.3	-171.8	177.2	-177.7	0	111	H1253 E1257	H1253-K1255 PolarHBondContact O-N 3.4Å; K1255-E1257 PolarHBondContact O-N 3.07Å
1256	P	40.6	Very low	42.9	Very low	115 Å²	115	120 Å²	120	75%	0.747	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	6.9	-171.6	-18.6	31.8	0	0	0	117.3	S1254	S1254-P1256 WeakPolarHBondContact O-CD 3.37Å
1257	E	43.3	Very low	42.3	Very low	180 Å²	180	123.2 Å²	123.2	84%	0.841	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-0.1	-162.2	-69.1	-178.8	166.2	0	0	115.5	K1255	K1255-E1257 PolarHBondContact O-N 3.07Å
1258	L	42.6	Very low	41.2	Very low	168 Å²	168	124.4 Å²	124.4	88%	0.88	70%	0.697	S	S	*	*	S	Bend	trans	-112.8	11.3	-173.4	-79.1	159.4	0	0	0	115.6
1259	S	38.5	Very low	40.3	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	72%	0.715	S	S	*	*	S	Bend	trans	-102.2	10.9	-170	65.6	0	0	0	0	117
1260	N	36.7	Very low	39.8	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	78%	0.783	S	S	*	*	S	Bend	trans	-115.3	6.6	-168.3	-84	-7.9	0	0	0	117.9
1261	E	34.2	Very low	39.2	Very low	196 Å²	196	129.8 Å²	129.8	92%	0.916	79%	0.788	S	S	*	*	S	Bend	trans	-129.2	71.7	-178.6	-69	-174.7	168.5	0	0	112.8
1262	A	33.1	Very low	38.3	Very low	94 Å²	94	130.8 Å²	130.8	78%	0.777	80%	0.799	S	S	*	*			trans	-166.8	63.8	161.7	0	0	0	0	0	112.2
1263	H	34.7	Very low	37.7	Very low	195 Å²	195	133.4 Å²	133.4	90%	0.903	81%	0.814	S	S	*	*			trans	-139.5	95.2	166.9	-82.3	-42.2	0	0	0	110.6
1264	S	31.8	Very low	37.3	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	84%	0.836	S	S	*	*			trans	-170.8	131.8	147.3	37.6	0	0	0	0	110.8
1265	P	37	Very low	36.5	Very low	128 Å²	128	138.9 Å²	138.9	83%	0.831	85%	0.853	S	S	*	*			trans	-85.6	141.7	-178.2	34.8	-31.1	0	0	0	110.7
1266	V	33.8	Very low	36.4	Very low	148 Å²	148	138.3 Å²	138.3	90%	0.897	87%	0.866	S	S	*	*			trans	-104.1	109.5	171.4	-177.4	0	0	0	0	109.2
1267	S	37	Very low	36.1	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	88%	0.875	S	S	*	*			trans	-98.3	137.1	160.7	55.3	0	0	0	0	110
1268	S	33.4	Very low	35.5	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	88%	0.878	S	S	*	*	S	Bend	trans	72.3	135.3	153.2	65.7	0	0	0	0	121.2
1269	S	34.7	Very low	34.9	Very low	127 Å²	127	134.3 Å²	134.3	89%	0.888	88%	0.878	S	S	*	*			trans	82	110.9	164.6	72.1	0	0	0	0	117.4
1270	G	34.4	Very low	34.6	Very low	156 Å²	156	137.6 Å²	137.6	100%	1.608	90%	0.896	S	S	*	*			trans	145.4	0	179.7	0	0	0	0	0	111

Retrieved 1,270 of 1,270 residues in 3082.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).