A0A087Y7Q3_POEFO Loading...

Helicase like transcription factor

AlphaFold DB , UniProt , Accession A0A087Y7Q3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 961 aa.

						>A0A087Y7Q3_POEFO|A0A087Y7Q3
MFSRWWKFGRDRFTDVDLFSDGSESAAETLSQAIRAAASQEPDADGSVLFGQLRGTVVGLRYYTGVVNRGEMVGLVREPHNPYDKNAVMVTNVLGRQVGHIRKELAAAMAHVMDNSLAKVEGVVYSGTNNSFSMPVTLSFLGSEENRDAVVKHMASRGFRLDADGGGAAGAKGRSFGSPGSSFSFKKGVTIPLTAEELKNAFDNLFEDLMESKDGEKEAAESVATPLLPHQKQALSWMCARENKDALPPFWEKRGDLYYNSLTCFSAKEIPERVRGGILADDMGLGKTLTTIALILTNFHKGKPLPVERCVGPFSPTKAKNKSLEGFKLQGSSSAVNSAGESSHCSATPKEDVIDAADGVLEEDEPQKSTGKEKHKPTKRKPSKEGLVLLEDLGFAAALSCTMSETKPKKKKAAEKCKLKQSVEVSTSESTDDLSAKATLIVCPLSVLSNWLDQFEQHLRSDVKPNVYLYYGSERNRSKTFLSSQDVVITTYNVLSSDFGNTSPLHGINWLRVVLDEGHVIRNPNAQMSKAALKLKAQRRWILSGTPIQNSVKDLWMLLAFLRLKPFDVREWWNRVIQRPVIQGDRAGLQNLQTLVKCITLRRTKNSEVNGRRLVSLPKKTVYVEQVELSAQEREEYELARNEGRRTIGRYVAEGSVLKNYADVLAILMRLRQYCCHPDLIGKIAADLASADTPAELRQRLVEKMRLVLASGSDEECSVCLDSIRMPVITHCAHVYCRPCIAQVISSEQKARCPLCRSEIKTSELVEFPPEEMEDEKSVESDRWRTSSKVQALMGNLLRLRSEDVGLKCLVVSQFTRFLTVLQTPLREHGFSFVRLDGTMSQKKRTQIIQEFQSSAADSPRVMLLSLKAGGVGLNLTAASRVFLMDPAWNPATEEQCIDRCHRLGQERNVVVTKFIVKDSVEENMVKIQKKKQDLVEKAFGSASTDRKTSRIDDIRALLEV
					

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(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	30.5	Very low	24.3	Very low	237 Å²	237	179.4 Å²	179.4	100%	1.167	83%	0.83	S	S	*	*				0	82.2	0	-60.3	171.5	-167.6	0	0	106.5
2	F	23.3	Very low	24.3	Very low	199 Å²	199	183.8 Å²	183.8	87%	0.873	83%	0.834	S	S	*	*				64.3	91.1	77.1	-83.6	-74.7	0	0	0	114.5
3	S	21.9	Very low	24.5	Very low	108 Å²	108	185.6 Å²	185.6	76%	0.755	84%	0.84	S	S	*	*			trans	69	157.3	151.4	85.4	0	0	0	0	115.9
4	R	24.2	Very low	24.4	Very low	208 Å²	208	181.3 Å²	181.3	79%	0.785	84%	0.835	S	S	*	*			cis	-166.7	169	0.8	-133.5	171.2	174.5	-174.8	0.4	108.6
5	W	25.7	Very low	24.8	Very low	198 Å²	198	179.9 Å²	179.9	75%	0.75	84%	0.836	S	S	*	*			trans	85.4	138.8	156.8	-63.8	4.3	0	0	0	119.4
6	W	24.6	Very low	24.8	Very low	173 Å²	173	177 Å²	177	66%	0.655	84%	0.835	S	S	*	*			cis	-146.7	144.4	-5.5	-123.5	41.1	0	0	0	114
7	K	27.1	Very low	24.9	Very low	147 Å²	147	175.8 Å²	175.8	64%	0.639	84%	0.835	S	S	*	*			trans	20.3	125.9	150.7	-55.7	-179.5	-172.6	167.5	0	121.7
8	F	21.6	Very low	24.8	Very low	218 Å²	218	174.8 Å²	174.8	96%	0.956	83%	0.834	S	S	*	*				-155	153.6	105.6	-118.2	-86.6	0	0	0	109.2
9	G	21.9	Very low	25	Very low	73 Å²	73	176.8 Å²	176.8	75%	0.753	84%	0.84	S	S	*	*			trans	-108.8	160.4	-159.4	0	0	0	0	0	117.1
10	R	23.5	Very low	25.2	Very low	255 Å²	255	173 Å²	173	96%	0.962	83%	0.833	S	S	*	*			trans	-161.5	129	156.4	-147.6	174.3	-171.6	176.2	1.8	108.2
11	D	23.3	Very low	25.4	Very low	157 Å²	157	172.5 Å²	172.5	84%	0.84	84%	0.835	S	S	*	*			trans	-116.9	163	-174.3	-131	-32.8	0	0	0	113
12	R	24.5	Very low	25.3	Very low	232 Å²	232	163.7 Å²	163.7	88%	0.875	81%	0.805	S	S	*	*			trans	-75.9	153	-165.8	-63.7	175.7	176.4	-178.3	-2.6	114.2
13	F	26.2	Very low	25.7	Very low	208 Å²	208	158.8 Å²	158.8	91%	0.912	80%	0.795	S	S	*	*			trans	-133.7	156	160.8	-108.7	-88.9	0	0	0	111.1
14	T	23.1	Very low	26	Very low	125 Å²	125	161.3 Å²	161.3	77%	0.767	80%	0.795	S	S	*	*			trans	-96.2	166.7	-175.4	46	0	0	0	0	113.4
15	D	30.7	Very low	26.2	Very low	160 Å²	160	155.1 Å²	155.1	86%	0.856	78%	0.783	S	S	*	*			trans	-15.9	126.7	175.4	-66.6	-39.4	0	0	0	119.3
16	V	24.7	Very low	26.4	Very low	134 Å²	134	148.5 Å²	148.5	81%	0.812	77%	0.771	S	S	*	*			trans	-147.1	135.3	145.4	-175.7	0	0	0	0	109.1
17	D	26.1	Very low	26.7	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	76%	0.761	S	S	*	*			trans	-59.8	144	173.2	-98.3	-51.1	0	0	0	113.6
18	L	24.2	Very low	26.8	Very low	157 Å²	157	141.6 Å²	141.6	82%	0.822	76%	0.757	S	S	*	*			trans	-145.4	33.6	177.1	-108.3	167	0	0	0	113.8
19	F	27.3	Very low	27.3	Very low	214 Å²	214	135.5 Å²	135.5	94%	0.939	74%	0.738	S	S	*	*			trans	-124.4	58.2	174	-81.6	-72.8	0	0	0	113.6
20	S	28.8	Very low	27.8	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	73%	0.73	S	S	*	*			trans	-146.7	136.2	153.8	59.4	0	0	0	0	106.4
21	D	30	Very low	28.3	Very low	163 Å²	163	127.8 Å²	127.8	87%	0.872	70%	0.702	S	S	*	*	S	Bend	cis	-134	164.5	16.3	-80.2	-51	0	0	0	111.5
22	G	29.6	Very low	28.6	Very low	52 Å²	52	125.5 Å²	125.5	54%	0.536	69%	0.687	S	S	.	*			trans	172.7	-11	169.2	0	0	0	0	0	117.5
23	S	30	Very low	28.9	Very low	96 Å²	96	116.9 Å²	116.9	67%	0.671	67%	0.665	S	S	*	*	H	α-helix	trans	-81	-25.5	-174.6	47	0	0	0	0	114.8	A27	S23-A27 WeakPolarHBondContact O-CB 3.47Å; S23-A27 PolarHBondContact O-N 2.68Å
24	E	28.7	Very low	29.2	Very low	160 Å²	160	111.6 Å²	111.6	75%	0.748	65%	0.645	S	S	*	*	H	α-helix	trans	-73.9	-42	-174.9	-65	-163	141.2	0	0	113.2	A26 A27 E28	E24-A26 PolarHBondContact O-N 2.81Å; E24-A27 PolarHBondContact O-N 2.93Å; E24-E28 PolarHBondContact O-N 3.18Å
25	S	28.1	Very low	29.7	Very low	78 Å²	78	113 Å²	113	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-67.8	-34.6	-179.1	68.7	0	0	0	0	112.8	T29	S25-T29 WeakPolarHBondContact O-CB 3.37Å; S25-T29 PolarHBondContact O-N 3.21Å; S25-T29 PolarHBondContact O-OG1 3.42Å
26	A	30.7	Very low	29.7	Very low	60 Å²	60	107.3 Å²	107.3	50%	0.496	61%	0.612	S	S	.	*	H	α-helix	trans	-68.1	-40	174.4	0	0	0	0	0	111.7	E24 T29 L30	E24-A26 PolarHBondContact O-N 2.81Å; A26-T29 PolarHBondContact O-N 2.97Å; A26-L30 VanDerWaalsContact O-CB 3.32Å; A26-L30 WeakPolarHBondContact O-CB 3.06Å; A26-L30 PolarHBondContact O-N 2.66Å
27	A	30.9	Very low	29.9	Very low	53 Å²	53	102.8 Å²	102.8	44%	0.438	59%	0.588	S	S	.	*	H	α-helix	trans	-67.6	-39.7	176	0	0	0	0	0	112.3	S23 E24 S31	S23-A27 WeakPolarHBondContact O-CB 3.47Å; S23-A27 PolarHBondContact O-N 2.68Å; E24-A27 PolarHBondContact O-N 2.93Å; A27-S31 WeakPolarHBondContact O-CB 3.4Å; A27-S31 PolarHBondContact O-N 2.94Å; A27-S31 PolarHBondContact O-OG 2.8Å
28	E	29.2	Very low	30.2	Very low	121 Å²	121	98.8 Å²	98.8	57%	0.565	58%	0.577	S	S	*	*	H	α-helix	trans	-65.3	-43.5	172.2	-74.6	-155.1	121.5	0	0	112	E24 L30 S31 Q32	E24-E28 PolarHBondContact O-N 3.18Å; E28-L30 PolarHBondContact O-N 3.16Å; E28-S31 CarbonylContact O-C 3.51Å; E28-S31 PolarHBondContact O-N 3.49Å; E28-Q32 WeakPolarHBondContact O-CB 3.29Å; E28-Q32 WeakPolarHBondContact O-CG 3.46Å; E28-Q32 PolarHBondContact O-N 3.4Å
29	T	32.5	Very low	30.4	Very low	90 Å²	90	95.4 Å²	95.4	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-63.4	-43	178.6	-55	0	0	0	0	111.1	S25 A26 Q32 A33	S25-T29 WeakPolarHBondContact O-CB 3.37Å; S25-T29 PolarHBondContact O-N 3.21Å; S25-T29 PolarHBondContact O-OG1 3.42Å; A26-T29 PolarHBondContact O-N 2.97Å; T29-Q32 PolarHBondContact O-N 2.93Å; T29-A33 WeakPolarHBondContact O-CB 3.23Å; T29-A33 PolarHBondContact O-N 2.68Å
30	L	32.5	Very low	30.5	Very low	112 Å²	112	92.4 Å²	92.4	59%	0.586	56%	0.555	S	S	*	*	H	α-helix	trans	-64.6	-41	174	-169.1	70.2	0	0	0	111.3	A26 E28 Q32 A33 I34	A26-L30 VanDerWaalsContact O-CB 3.32Å; A26-L30 WeakPolarHBondContact O-CB 3.06Å; A26-L30 PolarHBondContact O-N 2.66Å; E28-L30 PolarHBondContact O-N 3.16Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 2.82Å; L30-A33 PolarHBondContact O-N 3.39Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CB 3.48Å; L30-I34 VanDerWaalsContact O-CG1 3.24Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 3.19Å
31	S	32.3	Very low	30.6	Very low	54 Å²	54	92.5 Å²	92.5	38%	0.378	55%	0.545	S	S	.	.	H	α-helix	trans	-69	-28.5	177.3	-61.7	0	0	0	0	113.3	A27 E28 R35	A27-S31 WeakPolarHBondContact O-CB 3.4Å; A27-S31 PolarHBondContact O-N 2.94Å; A27-S31 PolarHBondContact O-OG 2.8Å; E28-S31 CarbonylContact O-C 3.51Å; E28-S31 PolarHBondContact O-N 3.49Å; S31-R35 WeakPolarHBondContact O-CG 3.45Å; S31-R35 PolarHBondContact O-N 3.16Å; S31-R35 PolarHBondContact O-NE 3.37Å
32	Q	30.9	Very low	30.7	Very low	110 Å²	110	89 Å²	89	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-77.2	-39.9	171.3	-72.6	-179.2	18.4	0	0	111.1	E28 T29 L30 R35 A36	E28-Q32 WeakPolarHBondContact O-CB 3.29Å; E28-Q32 WeakPolarHBondContact O-CG 3.46Å; E28-Q32 PolarHBondContact O-N 3.4Å; T29-Q32 PolarHBondContact O-N 2.93Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 2.82Å; Q32-R35 WeakPolarHBondContact O-CB 3.5Å; Q32-R35 PolarHBondContact O-N 3.14Å; Q32-A36 WeakPolarHBondContact O-CB 3.35Å; Q32-A36 PolarHBondContact O-N 3.27Å
33	A	31.1	Very low	31.1	Very low	51 Å²	51	88.8 Å²	88.8	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-39.2	173.9	0	0	0	0	0	112.3	T29 L30 A36 A37	T29-A33 WeakPolarHBondContact O-CB 3.23Å; T29-A33 PolarHBondContact O-N 2.68Å; L30-A33 PolarHBondContact O-N 3.39Å; A33-A36 PolarHBondContact O-N 3.38Å; A33-A37 VanDerWaalsContact O-CB 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.49Å; A33-A37 PolarHBondContact O-N 3.04Å
34	I	31.9	Very low	31.6	Very low	97 Å²	97	88 Å²	88	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-40.1	172.4	-70.5	164.4	0	0	0	110.8	L30 A37 A38	L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CB 3.48Å; L30-I34 VanDerWaalsContact O-CG1 3.24Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 3.19Å; I34-A37 PolarHBondContact O-N 3.1Å; I34-A38 WeakPolarHBondContact O-CB 3.31Å; I34-A38 PolarHBondContact O-N 3.03Å
35	R	33.5	Very low	32.3	Very low	155 Å²	155	84.9 Å²	84.9	59%	0.585	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-40	173.2	-83.8	174.8	-85.1	170.4	-11.7	112.3	S31 Q32 S39	S31-R35 WeakPolarHBondContact O-CG 3.45Å; S31-R35 PolarHBondContact O-N 3.16Å; S31-R35 PolarHBondContact O-NE 3.37Å; Q32-R35 WeakPolarHBondContact O-CB 3.5Å; Q32-R35 PolarHBondContact O-N 3.14Å; R35-S39 PolarHBondContact O-N 3.12Å; R35-S39 PolarHBondContact O-OG 2.95Å
36	A	29.9	Very low	33.5	Very low	40 Å²	40	82.7 Å²	82.7	33%	0.331	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-46	175.2	0	0	0	0	0	111.4	Q32 A33 S39 Q40	Q32-A36 WeakPolarHBondContact O-CB 3.35Å; Q32-A36 PolarHBondContact O-N 3.27Å; A33-A36 PolarHBondContact O-N 3.38Å; A36-S39 CarbonylContact O-C 3.6Å; A36-S39 WeakPolarHBondContact O-CA 3.39Å; A36-S39 PolarHBondContact O-N 2.79Å; A36-S39 VanDerWaalsContact O-N 3.08Å; A36-S39 PolarHBondContact O-OG 2.79Å; A36-Q40 WeakPolarHBondContact O-CB 3.44Å; A36-Q40 VanDerWaalsContact O-CG 3.28Å; A36-Q40 WeakPolarHBondContact O-CG 3.46Å; A36-Q40 PolarHBondContact O-N 3.33Å; A36-Q40 VanDerWaalsContact O-N 3.1Å
37	A	30.3	Very low	35	Very low	39 Å²	39	81.4 Å²	81.4	32%	0.322	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-40.3	176.9	0	0	0	0	0	112.6	A33 I34 S39 Q40 E41	A33-A37 VanDerWaalsContact O-CB 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.49Å; A33-A37 PolarHBondContact O-N 3.04Å; I34-A37 PolarHBondContact O-N 3.1Å; A37-S39 PolarHBondContact O-N 2.92Å; A37-Q40 CarbonylContact O-C 3.58Å; A37-Q40 WeakPolarHBondContact O-CA 3.36Å; A37-Q40 PolarHBondContact O-N 3.45Å; A37-E41 PolarHBondContact O-N 3Å
38	A	30.9	Very low	37	Very low	72 Å²	72	80.9 Å²	80.9	60%	0.595	47%	0.474	S	S	*	.	H	α-helix	trans	-67.4	-17.1	173.8	0	0	0	0	0	113.4	I34	I34-A38 WeakPolarHBondContact O-CB 3.31Å; I34-A38 PolarHBondContact O-N 3.03Å
39	S	29.6	Very low	39.2	Very low	87 Å²	87	78.9 Å²	78.9	61%	0.608	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.1	167.7	68.6	0	0	0	0	114.1	R35 A36 A37	R35-S39 PolarHBondContact O-N 3.12Å; R35-S39 PolarHBondContact O-OG 2.95Å; A36-S39 CarbonylContact O-C 3.6Å; A36-S39 WeakPolarHBondContact O-CA 3.39Å; A36-S39 PolarHBondContact O-N 2.79Å; A36-S39 VanDerWaalsContact O-N 3.08Å; A36-S39 PolarHBondContact O-OG 2.79Å; A37-S39 PolarHBondContact O-N 2.92Å
40	Q	28.9	Very low	41.4	Very low	150 Å²	150	74.7 Å²	74.7	70%	0.701	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-15.1	-175.3	-74.4	175.8	0.4	0	0	114.5	A36 A37 P42	A36-Q40 WeakPolarHBondContact O-CB 3.44Å; A36-Q40 VanDerWaalsContact O-CG 3.28Å; A36-Q40 WeakPolarHBondContact O-CG 3.46Å; A36-Q40 PolarHBondContact O-N 3.33Å; A36-Q40 VanDerWaalsContact O-N 3.1Å; A37-Q40 CarbonylContact O-C 3.58Å; A37-Q40 WeakPolarHBondContact O-CA 3.36Å; A37-Q40 PolarHBondContact O-N 3.45Å; Q40-P42 WeakPolarHBondContact O-CD 3.42Å
41	E	31.8	Very low	43.6	Very low	102 Å²	102	69.4 Å²	69.4	48%	0.477	41%	0.413	S	S	.	.	S	Bend	trans	-78.4	111.1	162	-85.9	-160	-151.3	0	0	109.5	A37 D43 S944	A37-E41 PolarHBondContact O-N 3Å; E41-D43 PolarHBondContact O-N 3.42Å; E41-S944 PolarHBondContact OE1-OG 3.28Å
42	P	31.5	Very low	46	Very low	90 Å²	90	70.6 Å²	70.6	58%	0.584	41%	0.413	S	S	*	.			trans	-66.5	138.2	179.4	26.7	-33.8	0	0	0	111.1	Q40	Q40-P42 WeakPolarHBondContact O-CD 3.42Å
43	D	37.6	Very low	48.7	Very low	47 Å²	47	66.4 Å²	66.4	25%	0.251	39%	0.394	S	S	.	.			trans	-47	148.6	150.9	-92.1	-38.4	0	0	0	108.1	E41 D45 G46 R579	E41-D43 PolarHBondContact O-N 3.42Å; D43-D45 CarbonylContact O-C 3.52Å; D43-D45 PolarHBondContact O-N 3.47Å; D43-G46 PolarHBondContact O-N 2.94Å; D43-R579 IonicContact OD2-CZ 2.62Å; D43-R579 IonicContact OD2-NE 3.41Å; D43-R579 PolarHBondContact OD2-NE 2.77Å; D43-R579 IonicContact OD2-NH2 3.57Å; D43-R579 PolarHBondContact OD2-NH2 3.26Å
44	A	41	Very low	51.3	Low	80 Å²	80	74.5 Å²	74.5	66%	0.661	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-1.2	-167	0	0	0	0	0	116.4
45	D	43.1	Very low	53.9	Low	95 Å²	95	70.2 Å²	70.2	51%	0.508	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	18.4	175.3	-48.8	-10.2	0	0	0	111.7	D43 S47 R570	D43-D45 CarbonylContact O-C 3.52Å; D43-D45 PolarHBondContact O-N 3.47Å; D45-S47 PolarHBondContact O-N 2.67Å; D45-S47 VanDerWaalsContact O-N 3.15Å; D45-S47 PolarHBondContact O-OG 2.73Å; D45-R570 IonicContact OD1-NH1 2.7Å; D45-R570 PolarHBondContact OD1-NH1 2.95Å; D45-R570 IonicContact OD2-NH1 3.26Å; D45-R570 PolarHBondContact OD2-NH1 3.41Å
46	G	52.7	Low	56.5	Low	31 Å²	31	64.5 Å²	64.5	32%	0.32	38%	0.376	S	S	.	.			trans	68.2	11.9	176.1	0	0	0	0	0	115.9	D43	D43-G46 PolarHBondContact O-N 2.94Å
47	S	62	Low	59.2	Low	33 Å²	33	62.6 Å²	62.6	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.8	-156	-68.5	0	0	0	0	114.7	D45 G142	D45-S47 PolarHBondContact O-N 2.67Å; D45-S47 VanDerWaalsContact O-N 3.15Å; D45-S47 PolarHBondContact O-OG 2.73Å; S47-G142 CarbonylContact C-O 3.58Å; S47-G142 WeakPolarHBondContact CA-O 3.43Å
48	V	72.9	Confident	61.9	Low	43 Å²	43	63.2 Å²	63.2	26%	0.261	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.8	176.4	-178.4	0	0	0	0	110.5	F50 L141 G142 E144	V48-F50 WeakPolarHBondContact O-CD1 3.4Å; V48-F50 PolarHBondContact O-N 3.38Å; V48-L141 CarbonylContact O-C 3.55Å; V48-L141 VanDerWaalsContact O-CA 3.3Å; V48-L141 WeakPolarHBondContact O-CA 3.43Å; V48-G142 PolarHBondContact N-O 2.95Å; V48-G142 PolarHBondContact O-N 2.8Å; V48-E144 HydrophobicContact CG2-CB 4.19Å
49	L	74.9	Confident	64.3	Low	78 Å²	78	60.9 Å²	60.9	41%	0.408	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.7	171.5	179.9	70.8	0	0	0	110.3	L141	L49-L141 HydrophobicContact CD1-CD1 4.47Å; L49-L141 HydrophobicContact CD1-CG 4.06Å
50	F	80.1	Confident	66.7	Low	3 Å²	3	58.2 Å²	58.2	1%	0.013	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-28.3	177.8	-57.2	-18.4	0	0	0	112.7	V48 A118 F140 G142 S143 N146 R147 V150 L161	V48-F50 WeakPolarHBondContact O-CD1 3.4Å; V48-F50 PolarHBondContact O-N 3.38Å; F50-A118 HydrophobicContact CD2-CB 3.9Å; F50-A118 HydrophobicContact CE2-CB 3.67Å; F50-F140 HydrophobicContact CB-CB 4.25Å; F50-F140 HydrophobicContact CD2-CB 4.46Å; F50-F140 PolarHBondContact N-O 2.95Å; F50-G142 WeakPolarHBondContact CE1-O 3.38Å; F50-G142 VanDerWaalsContact CZ-CA 3.47Å; F50-G142 WeakPolarHBondContact CZ-O 3.4Å; F50-S143 WeakPolarHBondContact CZ-O 3.39Å; F50-N146 HydrophobicContact CE2-CB 4.34Å; F50-N146 HydrophobicContact CZ-CB 4.11Å; F50-R147 HydrophobicContact CB-CG 4.43Å; F50-R147 HydrophobicContact CD1-CB 3.7Å; F50-R147 HydrophobicContact CD1-CG 3.64Å; F50-R147 HydrophobicContact CE1-CB 3.63Å; F50-R147 HydrophobicContact CE1-CG 4.11Å; F50-R147 HydrophobicContact CG-CB 4.33Å; F50-R147 HydrophobicContact CG-CG 4.13Å; F50-R147 HydrophobicContact CZ-CB 4.2Å; F50-V150 HydrophobicContact CD2-CB 3.94Å; F50-V150 HydrophobicContact CD2-CG1 3.95Å; F50-V150 HydrophobicContact CD2-CG2 4.27Å; F50-V150 HydrophobicContact CE2-CB 4.14Å; F50-V150 HydrophobicContact CE2-CG1 4.48Å; F50-V150 HydrophobicContact CE2-CG2 3.98Å; F50-L161 HydrophobicContact CB-CD1 4.47Å
51	G	78.5	Confident	69	Low	1 Å²	1	58.1 Å²	58.1	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-179.6	174.6	0	0	0	0	0	112.9	F140 D162	G51-F140 PolarHBondContact O-N 3.37Å; G51-F140 VanDerWaalsContact O-N 3.07Å; G51-D162 CarbonylContact C-O 3.52Å; G51-D162 WeakPolarHBondContact CA-O 3.39Å
52	Q	83.6	Confident	71.2	Confident	78 Å²	78	62.4 Å²	62.4	36%	0.364	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155	178.9	-66	-172	-2.2	0	0	112.7	T137 L138 D162	Q52-T137 HydrophobicContact CB-CG2 4.08Å; Q52-T137 HydrophobicContact CG-CG2 4.46Å; Q52-L138 CarbonylContact C-O 3.49Å; Q52-L138 VanDerWaalsContact CA-O 3.29Å; Q52-L138 WeakPolarHBondContact CA-O 3.3Å; Q52-D162 PolarHBondContact N-O 3.42Å; Q52-D162 PolarHBondContact O-N 3.07Å
53	L	87.4	Confident	73.5	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.12	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.3	178.6	-179.5	62.6	0	0	0	111	L105 T137 L138 F140 M154 F159 L161	L53-L105 HydrophobicContact CD2-CD1 3.54Å; L53-T137 CarbonylContact O-C 3.54Å; L53-T137 WeakPolarHBondContact O-CA 3.36Å; L53-L138 PolarHBondContact N-O 2.98Å; L53-L138 PolarHBondContact O-N 3.39Å; L53-F140 HydrophobicContact CB-CE2 4.2Å; L53-M154 HydrophobicContact CD2-CE 3.67Å; L53-F159 HydrophobicContact CD1-CB 4.42Å; L53-F159 HydrophobicContact CD1-CD1 4.22Å; L53-F159 HydrophobicContact CD2-CB 3.88Å; L53-F159 HydrophobicContact CD2-CD1 3.94Å; L53-F159 HydrophobicContact CD2-CG 4.08Å; L53-L161 HydrophobicContact CB-CD2 3.97Å; L53-L161 HydrophobicContact CD2-CD2 4.38Å
54	R	85.9	Confident	75.2	Confident	220 Å²	220	64.1 Å²	64.1	83%	0.83	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	173.4	-66.1	-176	-177	-176.2	2	111
55	G	85.9	Confident	76.6	Confident	7 Å²	7	60.8 Å²	60.8	7%	0.072	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-174.8	175	0	0	0	0	0	113	V136	G55-V136 CarbonylContact C-O 3.55Å; G55-V136 WeakPolarHBondContact CA-O 3.28Å; G55-V136 PolarHBondContact N-O 3.47Å; G55-V136 PolarHBondContact O-N 2.89Å; G55-V136 VanDerWaalsContact O-N 3.12Å
56	T	87.9	Confident	77.9	Confident	36 Å²	36	58.3 Å²	58.3	22%	0.221	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129	177.6	-52	0	0	0	0	110.4	V58 R102 M134	T56-V58 HydrophobicContact CG2-CG1 4.37Å; T56-R102 PolarHBondContact O-N 2.68Å; T56-M134 WeakPolarHBondContact CA-O 3.37Å
57	V	86.3	Confident	78.7	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.6	169.1	-169.6	0	0	0	0	108.6	L60 V90 H100 I101 S133 M134 V136	V57-L60 HydrophobicContact CB-CD2 4.42Å; V57-L60 HydrophobicContact CG1-CD2 3.89Å; V57-V90 HydrophobicContact CG1-CB 4Å; V57-V90 HydrophobicContact CG1-CG1 4.2Å; V57-V90 HydrophobicContact CG1-CG2 3.87Å; V57-V90 HydrophobicContact CG2-CG1 4.15Å; V57-V90 HydrophobicContact CG2-CG2 4.08Å; V57-H100 CarbonylContact C-O 3.59Å; V57-H100 WeakPolarHBondContact CA-O 3.47Å; V57-I101 HydrophobicContact CG2-CD1 4.31Å; V57-S133 CarbonylContact O-C 3.57Å; V57-S133 VanDerWaalsContact O-CA 3.23Å; V57-S133 WeakPolarHBondContact O-CA 3.22Å; V57-M134 HydrophobicContact CB-CB 4.4Å; V57-M134 HydrophobicContact CB-CE 4.12Å; V57-M134 HydrophobicContact CG1-CE 4.34Å; V57-M134 HydrophobicContact CG2-CE 4.01Å; V57-M134 PolarHBondContact N-O 3.32Å; V57-M134 PolarHBondContact O-N 2.83Å; V57-V136 HydrophobicContact CG2-CB 3.98Å; V57-V136 HydrophobicContact CG2-CG1 3.76Å
58	V	87.2	Confident	78.8	Confident	51 Å²	51	56.1 Å²	56.1	31%	0.309	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.4	178.7	-64.1	0	0	0	0	110.7	T56 G99 H100	T56-V58 HydrophobicContact CG2-CG1 4.37Å; V58-G99 WeakPolarHBondContact O-CA 3.33Å; V58-H100 WeakPolarHBondContact CG2-O 3.33Å; V58-H100 PolarHBondContact N-O 3.17Å; V58-H100 PolarHBondContact O-N 3.07Å
59	G	81.6	Confident	78.4	Confident	24 Å²	24	61 Å²	61	25%	0.247	29%	0.285	C	S	.	.			trans	87.6	12.1	176.1	0	0	0	0	0	115.3	R61 Y62 Y63	G59-R61 PolarHBondContact O-N 2.97Å; G59-Y62 PolarHBondContact O-N 3.19Å; G59-Y63 VanDerWaalsContact O-CD2 3.26Å; G59-Y63 WeakPolarHBondContact O-CD2 3.39Å
60	L	80.4	Confident	77.9	Confident	31 Å²	31	59 Å²	59	16%	0.162	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23	-174.2	-53.7	174.3	0	0	0	115.2	V57 V98 N130 M134	V57-L60 HydrophobicContact CB-CD2 4.42Å; V57-L60 HydrophobicContact CG1-CD2 3.89Å; L60-V98 HydrophobicContact CD2-CG1 3.89Å; L60-N130 HydrophobicContact CD1-CB 4.39Å; L60-N130 WeakPolarHBondContact CD1-O 3.39Å; L60-M134 HydrophobicContact CD1-CB 3.69Å; L60-M134 HydrophobicContact CD2-CB 4.33Å; L60-M134 HydrophobicContact CD2-CE 4.07Å
61	R	76.1	Confident	77.4	Confident	147 Å²	147	58.8 Å²	58.8	56%	0.555	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.4	179.6	-63.3	-172.7	174.4	-150.2	-10	114.3	G59 S131	G59-R61 PolarHBondContact O-N 2.97Å; R61-S131 WeakPolarHBondContact CG-O 3.26Å; R61-S131 PolarHBondContact NE-O 2.93Å; R61-S131 PolarHBondContact NH2-OG 3.47Å
62	Y	77.7	Confident	77	Confident	193 Å²	193	59.4 Å²	59.4	76%	0.757	28%	0.284	S	S	*	.	S	Bend	trans	-95.7	-6.2	-172.5	-58.4	-69.3	0	0	0	113.2	G59	G59-Y62 PolarHBondContact O-N 3.19Å
63	Y	81.7	Confident	76.9	Confident	73 Å²	73	55.8 Å²	55.8	29%	0.286	27%	0.268	S	S	.	.			trans	-129.9	156.5	-173.2	-49.7	-69.4	0	0	0	111.7	G59 Q97 H100	G59-Y63 VanDerWaalsContact O-CD2 3.26Å; G59-Y63 WeakPolarHBondContact O-CD2 3.39Å; Y63-Q97 VanDerWaalsContact CB-O 3.29Å; Y63-Q97 WeakPolarHBondContact CB-O 3.27Å; Y63-Q97 HydrophobicContact CD1-CB 4.12Å; Y63-Q97 VanDerWaalsContact CD1-CD 3.45Å; Y63-Q97 HydrophobicContact CD1-CG 3.63Å; Y63-Q97 HydrophobicContact CD2-CG 4.16Å; Y63-Q97 HydrophobicContact CE1-CG 3.95Å; Y63-Q97 VanDerWaalsContact CE1-OE1 3.26Å; Y63-Q97 HydrophobicContact CE2-CG 4.42Å; Y63-Q97 HydrophobicContact CG-CB 4.29Å; Y63-Q97 HydrophobicContact CG-CG 3.75Å; Y63-H100 AromaticContact CZ-CE1 3.96Å; Y63-H100 AromaticContact CZ-ND1 3.91Å; Y63-H100 PolarHBondContact OH-CE1 2.92Å; Y63-H100 PolarHBondContact OH-ND1 2.87Å
64	T	72.8	Confident	76.5	Confident	99 Å²	99	56.2 Å²	56.2	61%	0.607	28%	0.278	S	S	*	.			trans	-93.1	-12.6	-171.5	55.1	0	0	0	0	114.2	V66	T64-V66 PolarHBondContact O-N 3.27Å
65	G	69.3	Low	76.4	Confident	11 Å²	11	47 Å²	47	11%	0.113	25%	0.245	C	C	.	.			trans	-67.3	123.7	179.9	0	0	0	0	0	112.2	Q97	G65-Q97 VanDerWaalsContact CA-O 3.25Å; G65-Q97 WeakPolarHBondContact CA-O 3.1Å; G65-Q97 PolarHBondContact N-O 2.89Å
66	V	70.8	Confident	76.4	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.255	26%	0.26	S	S	.	.			trans	-98.4	147.6	170.2	-176	0	0	0	0	108.2	T64 N92 K268	T64-V66 PolarHBondContact O-N 3.27Å; V66-N92 PolarHBondContact O-ND2 2.91Å; V66-K268 HydrophobicContact CG2-CD 4.42Å
67	V	68.7	Low	76.5	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.03	26%	0.256	C	S	.	.			trans	-136.2	132.1	175.5	-178.3	0	0	0	0	108.3	E71 V73 N92 V98 V124 G127 M134	V67-E71 WeakPolarHBondContact CA-OE2 3.38Å; V67-E71 HydrophobicContact CG1-CB 3.72Å; V67-E71 HydrophobicContact CG1-CG 3.96Å; V67-V73 HydrophobicContact CB-CG1 4.41Å; V67-V73 HydrophobicContact CG1-CG1 3.74Å; V67-V73 HydrophobicContact CG2-CG1 3.76Å; V67-N92 HydrophobicContact CG2-CB 4.18Å; V67-V98 HydrophobicContact CG2-CB 4.16Å; V67-V98 HydrophobicContact CG2-CG1 3.66Å; V67-V98 HydrophobicContact CG2-CG2 3.43Å; V67-V98 VanDerWaalsContact CG2-CG2 3.43Å; V67-V124 HydrophobicContact CG1-CB 3.77Å; V67-V124 HydrophobicContact CG1-CG1 4.07Å; V67-V124 HydrophobicContact CG1-CG2 3.81Å; V67-G127 CarbonylContact O-C 3.57Å; V67-G127 VanDerWaalsContact O-CA 3.27Å; V67-G127 WeakPolarHBondContact O-CA 3.49Å; V67-M134 HydrophobicContact CB-CE 4.18Å; V67-M134 HydrophobicContact CB-SD 4.29Å; V67-M134 HydrophobicContact CG2-CE 4.35Å
68	N	65.4	Low	76.6	Confident	14 Å²	14	52.2 Å²	52.2	8%	0.075	27%	0.267	C	S	.	.			trans	-89.4	173.5	-178.5	-84.3	-2.7	0	0	0	113.6	G70 E71 Y259 C264 F265 S266	N68-G70 PolarHBondContact O-N 3Å; N68-E71 HydrophobicContact CB-CB 4.32Å; N68-E71 PolarHBondContact N-OE2 3.17Å; N68-E71 WeakPolarHBondContact O-CB 3.19Å; N68-E71 PolarHBondContact O-N 2.99Å; N68-Y259 WeakPolarHBondContact ND2-CD2 3.32Å; N68-C264 WeakPolarHBondContact CB-O 3.43Å; N68-C264 PolarHBondContact ND2-O 3.3Å; N68-F265 VanDerWaalsContact ND2-C 3.29Å; N68-F265 PolarHBondContact ND2-O 3.15Å; N68-S266 VanDerWaalsContact CG-OG 3.32Å; N68-S266 VanDerWaalsContact ND2-CB 3.26Å; N68-S266 WeakPolarHBondContact ND2-CB 3.4Å; N68-S266 PolarHBondContact ND2-N 3.18Å; N68-S266 PolarHBondContact ND2-OG 3.08Å; N68-S266 PolarHBondContact OD1-OG 2.76Å
69	R	64.6	Low	76.5	Confident	146 Å²	146	52.6 Å²	52.6	55%	0.551	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	119.6	170.3	177.9	163.2	-157.3	-152.1	-3.1	110.8	Y125	R69-Y125 WeakPolarHBondContact CG-O 3.36Å; R69-Y125 PolarHBondContact NE-O 2.93Å; R69-Y125 VanDerWaalsContact NE-O 3.17Å
70	G	64.1	Low	76.6	Confident	34 Å²	34	60.2 Å²	60.2	35%	0.351	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-5.8	-178.8	0	0	0	0	0	114.4	N68 V124	N68-G70 PolarHBondContact O-N 3Å; G70-V124 VanDerWaalsContact CA-O 3.28Å; G70-V124 WeakPolarHBondContact CA-O 3.47Å; G70-V124 PolarHBondContact N-O 3.13Å
71	E	69.1	Low	76.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.			trans	-76.1	138.7	-174.2	-174.9	-179.4	154.6	0	0	111.8	V67 N68 V93 V124 F265 W572	V67-E71 WeakPolarHBondContact CA-OE2 3.38Å; V67-E71 HydrophobicContact CG1-CB 3.72Å; V67-E71 HydrophobicContact CG1-CG 3.96Å; N68-E71 HydrophobicContact CB-CB 4.32Å; N68-E71 PolarHBondContact N-OE2 3.17Å; N68-E71 WeakPolarHBondContact O-CB 3.19Å; N68-E71 PolarHBondContact O-N 2.99Å; E71-V93 HydrophobicContact CG-CG2 4.34Å; E71-V124 PolarHBondContact O-N 3.31Å; E71-F265 HydrophobicContact CG-CD2 4.44Å; E71-F265 WeakPolarHBondContact OE1-CD2 3.46Å; E71-F265 WeakPolarHBondContact OE1-CE2 3.27Å; E71-W572 HydrophobicContact CG-CH2 4.26Å
72	M	71.1	Confident	77.1	Confident	13 Å²	13	58.8 Å²	58.8	6%	0.064	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140.2	173.1	-173.1	-159.3	-68.6	0	0	110.2	G122 W572 R575	M72-G122 CarbonylContact C-O 3.56Å; M72-G122 WeakPolarHBondContact CA-O 3.21Å; M72-G122 WeakPolarHBondContact CG-O 3.47Å; M72-W572 HydrophobicContact CB-CH2 3.72Å; M72-W572 HydrophobicContact CB-CZ2 3.53Å; M72-R575 HydrophobicContact CE-CB 4.37Å; M72-R575 HydrophobicContact CE-CG 4.48Å
73	V	80.1	Confident	77.3	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.2	177.2	-66.1	0	0	0	0	111.1	V67 L75 V90 T91 G122 V124 V136	V67-V73 HydrophobicContact CB-CG1 4.41Å; V67-V73 HydrophobicContact CG1-CG1 3.74Å; V67-V73 HydrophobicContact CG2-CG1 3.76Å; V73-L75 HydrophobicContact CG2-CD2 4.44Å; V73-V90 HydrophobicContact CB-CG1 3.54Å; V73-V90 HydrophobicContact CG1-CG1 3.9Å; V73-V90 HydrophobicContact CG2-CG1 3.64Å; V73-T91 CarbonylContact C-O 3.59Å; V73-T91 WeakPolarHBondContact CA-O 3.39Å; V73-T91 WeakPolarHBondContact CB-O 3.05Å; V73-G122 PolarHBondContact N-O 3.14Å; V73-V124 HydrophobicContact CG1-CG2 3.97Å; V73-V136 HydrophobicContact CG2-CG2 3.93Å
74	G	79.5	Confident	77.5	Confident	32 Å²	32	57.3 Å²	57.3	33%	0.33	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.5	170.9	0	0	0	0	0	110.6	V90 T91	G74-V90 WeakPolarHBondContact O-CA 3.32Å; G74-T91 PolarHBondContact N-O 3.05Å; G74-T91 PolarHBondContact O-N 2.92Å; G74-T91 PolarHBondContact O-OG1 3.3Å
75	L	84.8	Confident	78.1	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.131	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.6	-179.6	-62	171.7	0	0	0	108.8	V73 V88 V90 I101 M109 M113 V120 L138	V73-L75 HydrophobicContact CG2-CD2 4.44Å; L75-V88 HydrophobicContact CB-CG1 4.06Å; L75-V88 HydrophobicContact CD2-CG1 4.18Å; L75-V90 HydrophobicContact CD2-CG2 4Å; L75-I101 HydrophobicContact CD2-CD1 3.99Å; L75-I101 HydrophobicContact CD2-CG1 4.06Å; L75-M109 HydrophobicContact CD1-CE 4.18Å; L75-M113 HydrophobicContact CB-CE 4.07Å; L75-M113 WeakPolarHBondContact O-CE 3.46Å; L75-V120 HydrophobicContact CD1-CB 4.11Å; L75-V120 HydrophobicContact CD1-CG1 3.83Å; L75-L138 HydrophobicContact CD1-CD2 3.65Å
76	V	85.6	Confident	79	Confident	65 Å²	65	61.5 Å²	61.5	39%	0.394	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.7	-174.1	-176.7	0	0	0	0	109	V88 M89 T91	V76-V88 CarbonylContact O-C 3.58Å; V76-V88 WeakPolarHBondContact O-CA 3.46Å; V76-M89 HydrophobicContact CB-CB 4.41Å; V76-M89 HydrophobicContact CB-CE 3.91Å; V76-M89 HydrophobicContact CG1-CE 4.01Å; V76-M89 HydrophobicContact CG2-CE 4.29Å; V76-M89 PolarHBondContact N-O 2.99Å; V76-M89 PolarHBondContact O-N 3.09Å; V76-T91 HydrophobicContact CG2-CG2 4.34Å
77	R	89.9	Confident	79.8	Confident	39 Å²	39	59.9 Å²	59.9	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.5	173.6	-84.6	-73.6	-74.8	128.8	-3.4	110.7	P79 K85 N86 A87 M113 D114	R77-P79 WeakPolarHBondContact O-CD 3.23Å; R77-K85 PolarHBondContact NH1-O 3.47Å; R77-K85 PolarHBondContact NH2-O 2.88Å; R77-N86 VanDerWaalsContact NH1-C 3.27Å; R77-A87 PolarHBondContact NH1-O 3.33Å; R77-M113 HydrophobicContact CG-CB 3.6Å; R77-M113 HydrophobicContact CG-CE 3.98Å; R77-M113 HydrophobicContact CG-CG 4.34Å; R77-M113 HydrophobicContact CG-SD 3.84Å; R77-D114 IonicContact CZ-OD1 3.94Å; R77-D114 IonicContact CZ-OD2 2.6Å; R77-D114 IonicContact NE-OD1 2.63Å; R77-D114 PolarHBondContact NE-OD1 3.13Å; R77-D114 IonicContact NE-OD2 3.91Å; R77-D114 IonicContact NH2-OD1 3.72Å; R77-D114 PolarHBondContact NH2-OD1 3.36Å; R77-D114 IonicContact NH2-OD2 2.75Å; R77-D114 PolarHBondContact NH2-OD2 3.48Å
78	E	87.5	Confident	80.8	Confident	49 Å²	49	59.6 Å²	59.6	23%	0.229	30%	0.304	C	S	.	.			trans	-121.1	75.5	171.8	-57.7	-173.1	127.3	0	0	111.1	H80 N81 A87 M89 H100	E78-H80 PolarHBondContact O-N 2.83Å; E78-H80 VanDerWaalsContact O-N 3.14Å; E78-N81 HydrophobicContact CB-CB 3.89Å; E78-N81 WeakPolarHBondContact O-CB 3.45Å; E78-N81 PolarHBondContact O-N 2.98Å; E78-N81 PolarHBondContact OE2-ND2 2.98Å; E78-A87 HydrophobicContact CB-CB 4.16Å; E78-A87 PolarHBondContact N-O 2.84Å; E78-M89 HydrophobicContact CG-CB 3.99Å; E78-H100 IonicContact OE2-CD2 2.73Å; E78-H100 IonicContact OE2-CE1 2.73Å; E78-H100 IonicContact OE2-NE2 3.56Å; E78-H100 PolarHBondContact OE2-NE2 3.37Å
79	P	85.9	Confident	81.8	Confident	59 Å²	59	60.4 Å²	60.4	38%	0.383	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	-177.3	-23.3	35	0	0	0	114.4	R77 K85	R77-P79 WeakPolarHBondContact O-CD 3.23Å; P79-K85 WeakPolarHBondContact CA-O 3.36Å
80	H	84.3	Confident	82.9	Confident	185 Å²	185	53.5 Å²	53.5	86%	0.856	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	11.2	-177.1	-55.9	97.4	0	0	0	113.4	E78	E78-H80 PolarHBondContact O-N 2.83Å; E78-H80 VanDerWaalsContact O-N 3.14Å
81	N	84.4	Confident	83.8	Confident	31 Å²	31	52.5 Å²	52.5	17%	0.166	27%	0.269	C	S	.	.			trans	-67	126.7	179.8	-176.9	-44.8	0	0	0	110.3	E78 Y83 D84 A87	E78-N81 HydrophobicContact CB-CB 3.89Å; E78-N81 WeakPolarHBondContact O-CB 3.45Å; E78-N81 PolarHBondContact O-N 2.98Å; E78-N81 PolarHBondContact OE2-ND2 2.98Å; N81-Y83 PolarHBondContact O-N 2.87Å; N81-Y83 PolarHBondContact OD1-N 2.84Å; N81-D84 CarbonylContact O-C 3Å; N81-D84 PolarHBondContact O-N 3.29Å; N81-A87 HydrophobicContact CB-CB 3.91Å
82	P	81	Confident	84.1	Confident	117 Å²	117	53 Å²	53	76%	0.76	27%	0.271	S	S	*	.	S	Bend	trans	-67.2	-16.9	-173.1	26.2	-34.9	0	0	0	114.6
83	Y	83.1	Confident	83.7	Confident	209 Å²	209	54 Å²	54	82%	0.82	28%	0.278	S	S	*	.	S	Bend	trans	-98.3	-29.2	-179.4	-57.9	-76	0	0	0	113.3	N81	N81-Y83 PolarHBondContact O-N 2.87Å; N81-Y83 PolarHBondContact OD1-N 2.84Å
84	D	85.9	Confident	82.8	Confident	26 Å²	26	57.2 Å²	57.2	14%	0.139	30%	0.295	C	S	.	.			trans	-156.2	110.7	176.2	-167.2	-5.2	0	0	0	112.2	N81 N86 A87 K103	N81-D84 CarbonylContact O-C 3Å; N81-D84 PolarHBondContact O-N 3.29Å; D84-N86 PolarHBondContact O-N 3.22Å; D84-N86 WeakPolarHBondContact OD1-CB 2.92Å; D84-N86 PolarHBondContact OD1-N 3.46Å; D84-A87 HydrophobicContact CB-CB 4.34Å; D84-A87 WeakPolarHBondContact O-CB 3.29Å; D84-A87 PolarHBondContact O-N 3.15Å; D84-K103 VanDerWaalsContact OD2-CD 3.24Å; D84-K103 WeakPolarHBondContact OD2-CD 2.93Å; D84-K103 VanDerWaalsContact OD2-CE 3.28Å; D84-K103 WeakPolarHBondContact OD2-CE 3.35Å; D84-K103 WeakPolarHBondContact OD2-CG 3.24Å; D84-K103 IonicContact OD2-NZ 3.46Å
85	K	85.6	Confident	82.3	Confident	152 Å²	152	58.3 Å²	58.3	66%	0.661	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-21	173.2	63.3	179.8	-177.5	178.8	0	114.2	R77 P79	R77-K85 PolarHBondContact NH1-O 3.47Å; R77-K85 PolarHBondContact NH2-O 2.88Å; P79-K85 WeakPolarHBondContact CA-O 3.36Å
86	N	87.2	Confident	81.9	Confident	46 Å²	46	61.2 Å²	61.2	25%	0.246	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.9	177.5	-66.8	-14.5	0	0	0	112.9	R77 D84 V88 A106 A107 A110	R77-N86 VanDerWaalsContact NH1-C 3.27Å; D84-N86 PolarHBondContact O-N 3.22Å; D84-N86 WeakPolarHBondContact OD1-CB 2.92Å; D84-N86 PolarHBondContact OD1-N 3.46Å; N86-V88 PolarHBondContact O-N 2.86Å; N86-A106 WeakPolarHBondContact O-CB 3.37Å; N86-A107 HydrophobicContact CB-CB 4.18Å; N86-A107 WeakPolarHBondContact ND2-CB 3.46Å; N86-A110 HydrophobicContact CB-CB 4.22Å
87	A	88.8	Confident	81.9	Confident	7 Å²	7	60.6 Å²	60.6	6%	0.058	31%	0.308	C	S	.	.			trans	-54.7	137.5	-178.2	0	0	0	0	0	112.5	R77 E78 N81 D84	R77-A87 PolarHBondContact NH1-O 3.33Å; E78-A87 HydrophobicContact CB-CB 4.16Å; E78-A87 PolarHBondContact N-O 2.84Å; N81-A87 HydrophobicContact CB-CB 3.91Å; D84-A87 HydrophobicContact CB-CB 4.34Å; D84-A87 WeakPolarHBondContact O-CB 3.29Å; D84-A87 PolarHBondContact O-N 3.15Å
88	V	89.3	Confident	81.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	107.3	167.7	179.2	0	0	0	0	106.4	L75 V76 N86 H100 I101 A106 M109 M113	L75-V88 HydrophobicContact CB-CG1 4.06Å; L75-V88 HydrophobicContact CD2-CG1 4.18Å; V76-V88 CarbonylContact O-C 3.58Å; V76-V88 WeakPolarHBondContact O-CA 3.46Å; N86-V88 PolarHBondContact O-N 2.86Å; V88-H100 WeakPolarHBondContact O-CA 3.07Å; V88-I101 HydrophobicContact CB-CB 4.2Å; V88-I101 HydrophobicContact CB-CG1 4.08Å; V88-I101 HydrophobicContact CG1-CG1 3.95Å; V88-I101 PolarHBondContact O-N 2.89Å; V88-A106 HydrophobicContact CB-CB 4.41Å; V88-A106 HydrophobicContact CG2-CB 4.13Å; V88-M109 HydrophobicContact CG1-CE 4.31Å; V88-M113 HydrophobicContact CG1-CE 4.42Å; V88-M113 HydrophobicContact CG1-SD 4.19Å; V88-M113 HydrophobicContact CG2-SD 4Å
89	M	87.2	Confident	81.7	Confident	31 Å²	31	56.6 Å²	56.6	15%	0.153	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138	173.6	172.9	174.3	55.1	0	0	109.6	V76 E78 T91 Q97	V76-M89 HydrophobicContact CB-CB 4.41Å; V76-M89 HydrophobicContact CB-CE 3.91Å; V76-M89 HydrophobicContact CG1-CE 4.01Å; V76-M89 HydrophobicContact CG2-CE 4.29Å; V76-M89 PolarHBondContact N-O 2.99Å; V76-M89 PolarHBondContact O-N 3.09Å; E78-M89 HydrophobicContact CG-CB 3.99Å; M89-T91 HydrophobicContact CE-CG2 3.85Å; M89-T91 HydrophobicContact CG-CG2 3.91Å; M89-T91 HydrophobicContact SD-CG2 3.88Å; M89-Q97 HydrophobicContact CG-CG 3.88Å; M89-Q97 HydrophobicContact SD-CB 4.05Å; M89-Q97 VanDerWaalsContact SD-CD 3.52Å; M89-Q97 HydrophobicContact SD-CG 3.74Å
90	V	86.4	Confident	81.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118	173.9	-174.3	0	0	0	0	107.9	V57 V73 G74 L75 V98 G99 I101	V57-V90 HydrophobicContact CG1-CB 4Å; V57-V90 HydrophobicContact CG1-CG1 4.2Å; V57-V90 HydrophobicContact CG1-CG2 3.87Å; V57-V90 HydrophobicContact CG2-CG1 4.15Å; V57-V90 HydrophobicContact CG2-CG2 4.08Å; V73-V90 HydrophobicContact CB-CG1 3.54Å; V73-V90 HydrophobicContact CG1-CG1 3.9Å; V73-V90 HydrophobicContact CG2-CG1 3.64Å; G74-V90 WeakPolarHBondContact O-CA 3.32Å; L75-V90 HydrophobicContact CD2-CG2 4Å; V90-V98 HydrophobicContact CG1-CB 4.42Å; V90-V98 PolarHBondContact O-N 3.08Å; V90-G99 PolarHBondContact N-O 3.39Å; V90-G99 PolarHBondContact O-N 2.95Å; V90-I101 HydrophobicContact CG2-CD1 3.55Å; V90-I101 HydrophobicContact CG2-CG1 3.71Å
91	T	82.4	Confident	82.2	Confident	14 Å²	14	46.8 Å²	46.8	9%	0.086	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.6	177.6	56.6	0	0	0	0	110.9	V73 G74 V76 M89 R96	V73-T91 CarbonylContact C-O 3.59Å; V73-T91 WeakPolarHBondContact CA-O 3.39Å; V73-T91 WeakPolarHBondContact CB-O 3.05Å; G74-T91 PolarHBondContact N-O 3.05Å; G74-T91 PolarHBondContact O-N 2.92Å; G74-T91 PolarHBondContact O-OG1 3.3Å; V76-T91 HydrophobicContact CG2-CG2 4.34Å; M89-T91 HydrophobicContact CE-CG2 3.85Å; M89-T91 HydrophobicContact CG-CG2 3.91Å; M89-T91 HydrophobicContact SD-CG2 3.88Å; T91-R96 CarbonylContact C-O 3.59Å; T91-R96 VanDerWaalsContact CA-O 3.3Å; T91-R96 WeakPolarHBondContact CA-O 3.39Å
92	N	76.4	Confident	82.4	Confident	9 Å²	9	50.7 Å²	50.7	5%	0.048	25%	0.253	C	S	.	.			trans	-82.3	178.9	166.7	78.8	-0.1	0	0	0	110.6	V66 V67 L94 G95 R96 V98	V66-N92 PolarHBondContact O-ND2 2.91Å; V67-N92 HydrophobicContact CG2-CB 4.18Å; N92-L94 PolarHBondContact O-N 3.4Å; N92-L94 VanDerWaalsContact O-N 3.1Å; N92-L94 PolarHBondContact OD1-N 3.14Å; N92-L94 VanDerWaalsContact OD1-N 3.09Å; N92-G95 WeakPolarHBondContact O-CA 3.38Å; N92-G95 PolarHBondContact O-N 2.79Å; N92-R96 PolarHBondContact N-O 3.21Å; N92-R96 WeakPolarHBondContact OD1-CB 3.38Å; N92-R96 PolarHBondContact OD1-N 2.91Å; N92-R96 VanDerWaalsContact OD1-N 3.07Å; N92-R96 PolarHBondContact OD1-O 3.3Å; N92-V98 HydrophobicContact CB-CG2 3.79Å
93	V	63.3	Low	82.7	Confident	35 Å²	35	51.1 Å²	51.1	21%	0.212	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.8	-174.3	-161.3	0	0	0	0	114	E71 G95 F265 P566 W572	E71-V93 HydrophobicContact CG-CG2 4.34Å; V93-G95 VanDerWaalsContact C-N 3.29Å; V93-F265 HydrophobicContact CB-CD2 3.91Å; V93-F265 HydrophobicContact CB-CE2 3.78Å; V93-F265 HydrophobicContact CG2-CD2 3.6Å; V93-F265 HydrophobicContact CG2-CE2 3.87Å; V93-P566 HydrophobicContact CG1-CB 3.47Å; V93-P566 VanDerWaalsContact CG1-CB 3.47Å; V93-W572 HydrophobicContact CB-CZ2 4.41Å; V93-W572 HydrophobicContact CG1-CZ2 4.23Å; V93-W572 HydrophobicContact CG2-CH2 4.11Å; V93-W572 HydrophobicContact CG2-CZ2 3.27Å
94	L	60.9	Low	82.9	Confident	70 Å²	70	47.4 Å²	47.4	37%	0.366	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.9	174.2	-59.8	178.1	0	0	0	112.7	N92 R96 F265 A267	N92-L94 PolarHBondContact O-N 3.4Å; N92-L94 VanDerWaalsContact O-N 3.1Å; N92-L94 PolarHBondContact OD1-N 3.14Å; N92-L94 VanDerWaalsContact OD1-N 3.09Å; L94-R96 HydrophobicContact CB-CG 4.3Å; L94-R96 PolarHBondContact O-N 2.85Å; L94-F265 HydrophobicContact CD1-CE1 4.41Å; L94-F265 HydrophobicContact CD1-CZ 3.76Å; L94-F265 HydrophobicContact CG-CE2 4.34Å; L94-F265 HydrophobicContact CG-CZ 3.76Å; L94-A267 HydrophobicContact CD1-CB 4.28Å
95	G	67.9	Low	83	Confident	55 Å²	55	46.6 Å²	46.6	57%	0.567	23%	0.229	S	C	*	.	S	Bend	trans	71.9	6.6	-175.6	0	0	0	0	0	114.2	N92 V93	N92-G95 WeakPolarHBondContact O-CA 3.38Å; N92-G95 PolarHBondContact O-N 2.79Å; V93-G95 VanDerWaalsContact C-N 3.29Å
96	R	77.6	Confident	83.1	Confident	86 Å²	86	39.4 Å²	39.4	33%	0.325	20%	0.197	S	C	.	.			trans	-79.1	135.1	179.1	-58.8	-174	-178.4	-164.7	-1.9	109.8	T91 N92 L94 E269	T91-R96 CarbonylContact C-O 3.59Å; T91-R96 VanDerWaalsContact CA-O 3.3Å; T91-R96 WeakPolarHBondContact CA-O 3.39Å; N92-R96 PolarHBondContact N-O 3.21Å; N92-R96 WeakPolarHBondContact OD1-CB 3.38Å; N92-R96 PolarHBondContact OD1-N 2.91Å; N92-R96 VanDerWaalsContact OD1-N 3.07Å; N92-R96 PolarHBondContact OD1-O 3.3Å; L94-R96 HydrophobicContact CB-CG 4.3Å; L94-R96 PolarHBondContact O-N 2.85Å; R96-E269 IonicContact CZ-OE1 3.85Å; R96-E269 VanDerWaalsContact CZ-OE1 3.3Å; R96-E269 IonicContact CZ-OE2 2.6Å; R96-E269 IonicContact NH1-OE1 2.79Å; R96-E269 PolarHBondContact NH1-OE1 3.4Å; R96-E269 IonicContact NH1-OE2 3.96Å; R96-E269 IonicContact NH2-OE1 3.62Å; R96-E269 PolarHBondContact NH2-OE1 3.38Å; R96-E269 IonicContact NH2-OE2 3.67Å; R96-E269 PolarHBondContact NH2-OE2 2.82Å
97	Q	85.5	Confident	83.1	Confident	52 Å²	52	38.7 Å²	38.7	24%	0.243	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136	177.7	-169.8	165.9	18.3	0	0	111.2	Y63 G65 M89 H100	Y63-Q97 VanDerWaalsContact CB-O 3.29Å; Y63-Q97 WeakPolarHBondContact CB-O 3.27Å; Y63-Q97 HydrophobicContact CD1-CB 4.12Å; Y63-Q97 VanDerWaalsContact CD1-CD 3.45Å; Y63-Q97 HydrophobicContact CD1-CG 3.63Å; Y63-Q97 HydrophobicContact CD2-CG 4.16Å; Y63-Q97 HydrophobicContact CE1-CG 3.95Å; Y63-Q97 VanDerWaalsContact CE1-OE1 3.26Å; Y63-Q97 HydrophobicContact CE2-CG 4.42Å; Y63-Q97 HydrophobicContact CG-CB 4.29Å; Y63-Q97 HydrophobicContact CG-CG 3.75Å; G65-Q97 VanDerWaalsContact CA-O 3.25Å; G65-Q97 WeakPolarHBondContact CA-O 3.1Å; G65-Q97 PolarHBondContact N-O 2.89Å; M89-Q97 HydrophobicContact CG-CG 3.88Å; M89-Q97 HydrophobicContact SD-CB 4.05Å; M89-Q97 VanDerWaalsContact SD-CD 3.52Å; M89-Q97 HydrophobicContact SD-CG 3.74Å; Q97-H100 PolarHBondContact NE2-CE1 3.2Å
98	V	84.8	Confident	83	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-38.1	178.1	179.3	0	0	0	0	109.7	L60 V67 V90 N92 M134	L60-V98 HydrophobicContact CD2-CG1 3.89Å; V67-V98 HydrophobicContact CG2-CB 4.16Å; V67-V98 HydrophobicContact CG2-CG1 3.66Å; V67-V98 HydrophobicContact CG2-CG2 3.43Å; V67-V98 VanDerWaalsContact CG2-CG2 3.43Å; V90-V98 HydrophobicContact CG1-CB 4.42Å; V90-V98 PolarHBondContact O-N 3.08Å; N92-V98 HydrophobicContact CB-CG2 3.79Å; V98-M134 HydrophobicContact CG1-CE 3.81Å
99	G	87.5	Confident	82.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-159.1	-177.7	0	0	0	0	0	111.9	V58 V90	V58-G99 WeakPolarHBondContact O-CA 3.33Å; V90-G99 PolarHBondContact N-O 3.39Å; V90-G99 PolarHBondContact O-N 2.95Å
100	H	90.3	Very high	82.9	Confident	31 Å²	31	37.1 Å²	37.1	14%	0.144	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.4	174.7	-72.8	97.2	0	0	0	110.6	V57 V58 Y63 E78 V88 Q97	V57-H100 CarbonylContact C-O 3.59Å; V57-H100 WeakPolarHBondContact CA-O 3.47Å; V58-H100 WeakPolarHBondContact CG2-O 3.33Å; V58-H100 PolarHBondContact N-O 3.17Å; V58-H100 PolarHBondContact O-N 3.07Å; Y63-H100 AromaticContact CZ-CE1 3.96Å; Y63-H100 AromaticContact CZ-ND1 3.91Å; Y63-H100 PolarHBondContact OH-CE1 2.92Å; Y63-H100 PolarHBondContact OH-ND1 2.87Å; E78-H100 IonicContact OE2-CD2 2.73Å; E78-H100 IonicContact OE2-CE1 2.73Å; E78-H100 IonicContact OE2-NE2 3.56Å; E78-H100 PolarHBondContact OE2-NE2 3.37Å; V88-H100 WeakPolarHBondContact O-CA 3.07Å; Q97-H100 PolarHBondContact NE2-CE1 3.2Å
101	I	90.9	Very high	82.9	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.2	168.6	-60.5	-63.2	0	0	0	109.2	V57 L75 V88 V90 K103 L105 A106 M109 V136	V57-I101 HydrophobicContact CG2-CD1 4.31Å; L75-I101 HydrophobicContact CD2-CD1 3.99Å; L75-I101 HydrophobicContact CD2-CG1 4.06Å; V88-I101 HydrophobicContact CB-CB 4.2Å; V88-I101 HydrophobicContact CB-CG1 4.08Å; V88-I101 HydrophobicContact CG1-CG1 3.95Å; V88-I101 PolarHBondContact O-N 2.89Å; V90-I101 HydrophobicContact CG2-CD1 3.55Å; V90-I101 HydrophobicContact CG2-CG1 3.71Å; I101-K103 PolarHBondContact O-N 3.07Å; I101-L105 HydrophobicContact CG2-CB 3.98Å; I101-L105 HydrophobicContact CG2-CD2 3.93Å; I101-L105 HydrophobicContact CG2-CG 3.83Å; I101-A106 HydrophobicContact CB-CB 4.29Å; I101-A106 HydrophobicContact CG2-CB 4.23Å; I101-M109 HydrophobicContact CG2-SD 4.3Å; I101-V136 HydrophobicContact CD1-CG1 3.96Å
102	R	89.3	Confident	83	Confident	113 Å²	113	40.5 Å²	40.5	43%	0.426	20%	0.204	S	C	.	.			trans	-52.3	131.2	175.2	-173.9	-176	-64.9	-151	2	111.5	T56 E104 L105 A106	T56-R102 PolarHBondContact O-N 2.68Å; R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 WeakPolarHBondContact CD-OE2 3.49Å; R102-E104 PolarHBondContact O-N 2.8Å; R102-E104 VanDerWaalsContact O-N 3.11Å; R102-L105 PolarHBondContact O-N 2.92Å; R102-A106 PolarHBondContact O-N 3.5Å
103	K	86.7	Confident	83.5	Confident	127 Å²	127	41.8 Å²	41.8	55%	0.552	21%	0.211	S	C	*	.	H	α-helix	trans	-41.2	-47.3	-174.9	179.7	155.1	-167.3	168	0	116.2	D84 I101 L105 A106 A107	D84-K103 VanDerWaalsContact OD2-CD 3.24Å; D84-K103 WeakPolarHBondContact OD2-CD 2.93Å; D84-K103 VanDerWaalsContact OD2-CE 3.28Å; D84-K103 WeakPolarHBondContact OD2-CE 3.35Å; D84-K103 WeakPolarHBondContact OD2-CG 3.24Å; D84-K103 IonicContact OD2-NZ 3.46Å; I101-K103 PolarHBondContact O-N 3.07Å; K103-L105 VanDerWaalsContact C-N 3.34Å; K103-L105 PolarHBondContact O-N 2.89Å; K103-A106 PolarHBondContact O-N 3.26Å; K103-A107 VanDerWaalsContact O-CB 3.32Å; K103-A107 WeakPolarHBondContact O-CB 3.36Å; K103-A107 PolarHBondContact O-N 3.46Å
104	E	86.7	Confident	84.6	Confident	131 Å²	131	44 Å²	44	61%	0.612	22%	0.221	S	C	*	.	H	α-helix	trans	-56.8	-46.4	179.8	-65.7	149.1	-173.5	0	0	112.2	R102 F159	R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 WeakPolarHBondContact CD-OE2 3.49Å; R102-E104 PolarHBondContact O-N 2.8Å; R102-E104 VanDerWaalsContact O-N 3.11Å; E104-F159 HydrophobicContact CB-CZ 4.45Å
105	L	88.2	Confident	85.7	Confident	9 Å²	9	45 Å²	45	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-78.1	-39.4	-179.6	177.1	55.5	0	0	0	111.4	L53 I101 R102 K103 A107 A108 M109 L138 M154 F159	L53-L105 HydrophobicContact CD2-CD1 3.54Å; I101-L105 HydrophobicContact CG2-CB 3.98Å; I101-L105 HydrophobicContact CG2-CD2 3.93Å; I101-L105 HydrophobicContact CG2-CG 3.83Å; R102-L105 PolarHBondContact O-N 2.92Å; K103-L105 VanDerWaalsContact C-N 3.34Å; K103-L105 PolarHBondContact O-N 2.89Å; L105-A107 VanDerWaalsContact C-N 3.27Å; L105-A107 PolarHBondContact O-N 2.91Å; L105-A108 PolarHBondContact O-N 2.82Å; L105-A108 VanDerWaalsContact O-N 3.16Å; L105-M109 HydrophobicContact CD1-CG 4.18Å; L105-M109 HydrophobicContact CD1-SD 4.04Å; L105-M109 HydrophobicContact CG-SD 3.84Å; L105-M109 WeakPolarHBondContact O-CG 3.47Å; L105-M109 PolarHBondContact O-N 3.35Å; L105-L138 HydrophobicContact CD1-CD1 4.3Å; L105-L138 HydrophobicContact CD2-CD1 3.76Å; L105-L138 HydrophobicContact CG-CD1 4.19Å; L105-M154 HydrophobicContact CD1-CE 4.38Å; L105-F159 HydrophobicContact CB-CE1 4.47Å; L105-F159 HydrophobicContact CB-CZ 4.14Å; L105-F159 HydrophobicContact CD1-CD1 4.3Å; L105-F159 HydrophobicContact CD1-CE1 4.18Å; L105-F159 HydrophobicContact CD1-CE2 4.46Å; L105-F159 HydrophobicContact CD1-CZ 4.26Å
106	A	88.3	Confident	86.3	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-39.3	174.6	0	0	0	0	0	111.7	N86 V88 I101 R102 K103 A108 M109 A110	N86-A106 WeakPolarHBondContact O-CB 3.37Å; V88-A106 HydrophobicContact CB-CB 4.41Å; V88-A106 HydrophobicContact CG2-CB 4.13Å; I101-A106 HydrophobicContact CB-CB 4.29Å; I101-A106 HydrophobicContact CG2-CB 4.23Å; R102-A106 PolarHBondContact O-N 3.5Å; K103-A106 PolarHBondContact O-N 3.26Å; A106-A108 PolarHBondContact O-N 3.13Å; A106-M109 PolarHBondContact O-N 3.04Å; A106-A110 VanDerWaalsContact O-CB 3.32Å; A106-A110 WeakPolarHBondContact O-CB 3.21Å; A106-A110 PolarHBondContact O-N 3.18Å
107	A	87.2	Confident	86.5	Confident	32 Å²	32	44.6 Å²	44.6	26%	0.264	23%	0.226	S	C	.	.	H	α-helix	trans	-65.5	-32.6	175.3	0	0	0	0	0	114.6	N86 K103 L105	N86-A107 HydrophobicContact CB-CB 4.18Å; N86-A107 WeakPolarHBondContact ND2-CB 3.46Å; K103-A107 VanDerWaalsContact O-CB 3.32Å; K103-A107 WeakPolarHBondContact O-CB 3.36Å; K103-A107 PolarHBondContact O-N 3.46Å; L105-A107 VanDerWaalsContact C-N 3.27Å; L105-A107 PolarHBondContact O-N 2.91Å
108	A	85.9	Confident	86.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-75.3	-41	173.4	0	0	0	0	0	111.7	L105 A106 M154 R157 F159	L105-A108 PolarHBondContact O-N 2.82Å; L105-A108 VanDerWaalsContact O-N 3.16Å; A106-A108 PolarHBondContact O-N 3.13Å; A108-M154 HydrophobicContact CB-CE 4.33Å; A108-M154 HydrophobicContact CB-SD 3.97Å; A108-R157 HydrophobicContact CB-CB 3.89Å; A108-R157 HydrophobicContact CB-CG 4.12Å; A108-F159 HydrophobicContact CB-CD2 3.73Å; A108-F159 HydrophobicContact CB-CE2 3.81Å
109	M	87.6	Confident	86.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70	-31.4	178.4	-68.4	170	59.1	0	0	113.5	L75 V88 I101 L105 A106 H111 V112 M113 V120 L138 F140	L75-M109 HydrophobicContact CD1-CE 4.18Å; V88-M109 HydrophobicContact CG1-CE 4.31Å; I101-M109 HydrophobicContact CG2-SD 4.3Å; L105-M109 HydrophobicContact CD1-CG 4.18Å; L105-M109 HydrophobicContact CD1-SD 4.04Å; L105-M109 HydrophobicContact CG-SD 3.84Å; L105-M109 WeakPolarHBondContact O-CG 3.47Å; L105-M109 PolarHBondContact O-N 3.35Å; A106-M109 PolarHBondContact O-N 3.04Å; M109-H111 VanDerWaalsContact C-N 3.33Å; M109-H111 PolarHBondContact O-N 3.47Å; M109-V112 WeakPolarHBondContact O-CB 3.27Å; M109-V112 PolarHBondContact O-N 3.2Å; M109-M113 HydrophobicContact CB-SD 4.34Å; M109-M113 HydrophobicContact CE-SD 3.94Å; M109-M113 WeakPolarHBondContact O-CG 3.44Å; M109-M113 PolarHBondContact O-N 3.28Å; M109-V120 HydrophobicContact CE-CB 4.31Å; M109-V120 HydrophobicContact CE-CG1 3.94Å; M109-V120 HydrophobicContact CE-CG2 4.42Å; M109-L138 HydrophobicContact CE-CD1 4Å; M109-L138 HydrophobicContact SD-CD1 3.39Å; M109-L138 WeakPolarHBondContact SD-CD1 3.42Å; M109-F140 HydrophobicContact CG-CE1 4.41Å; M109-F140 HydrophobicContact CG-CZ 4.17Å
110	A	87.3	Confident	86	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-51.5	-49.9	-175	0	0	0	0	0	112.4	N86 A106 V112 M113 D114	N86-A110 HydrophobicContact CB-CB 4.22Å; A106-A110 VanDerWaalsContact O-CB 3.32Å; A106-A110 WeakPolarHBondContact O-CB 3.21Å; A106-A110 PolarHBondContact O-N 3.18Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.16Å; A110-M113 PolarHBondContact O-N 3.16Å; A110-D114 VanDerWaalsContact O-CB 3.31Å; A110-D114 WeakPolarHBondContact O-CB 3.39Å; A110-D114 PolarHBondContact O-N 3.08Å
111	H	85.9	Confident	85.6	Confident	85 Å²	85	46.6 Å²	46.6	39%	0.394	24%	0.236	S	C	.	.	H	α-helix	trans	-64.6	-35.4	179.3	-178.1	77.2	0	0	0	113.4	M109 N115 H153	M109-H111 VanDerWaalsContact C-N 3.33Å; M109-H111 PolarHBondContact O-N 3.47Å; H111-N115 PolarHBondContact CE1-ND2 3.24Å; H111-N115 VanDerWaalsContact CE1-ND2 3.3Å; H111-N115 PolarHBondContact ND1-ND2 2.83Å; H111-N115 WeakPolarHBondContact O-CB 3.43Å; H111-N115 PolarHBondContact O-N 2.85Å; H111-N115 PolarHBondContact O-ND2 2.88Å; H111-H153 AromaticContact CD2-CE1 3.2Å; H111-H153 PolarHBondContact CD2-CE1 2.92Å; H111-H153 AromaticContact CD2-ND1 3.51Å; H111-H153 AromaticContact CD2-NE2 3.57Å; H111-H153 AromaticContact CG-CE1 3.62Å; H111-H153 AromaticContact CG-NE2 3.79Å; H111-H153 AromaticContact NE2-CE1 3.9Å; H111-H153 AromaticContact NE2-ND1 3.98Å
112	V	85.5	Confident	85.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.1	-41.7	178.6	177.6	0	0	0	0	110.9	M109 A110 S116 L117 A118 F140 V150 M154	M109-V112 WeakPolarHBondContact O-CB 3.27Å; M109-V112 PolarHBondContact O-N 3.2Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.16Å; V112-S116 PolarHBondContact O-N 3.36Å; V112-L117 HydrophobicContact CG1-CB 4.35Å; V112-L117 PolarHBondContact O-N 3.45Å; V112-A118 HydrophobicContact CG1-CB 3.67Å; V112-F140 HydrophobicContact CG1-CD1 4.44Å; V112-V150 HydrophobicContact CG1-CG1 4.14Å; V112-V150 HydrophobicContact CG1-CG2 4.25Å; V112-V150 HydrophobicContact CG2-CG1 4.33Å; V112-M154 HydrophobicContact CG2-SD 4.41Å
113	M	85.7	Confident	84.8	Confident	36 Å²	36	41 Å²	41	18%	0.177	21%	0.214	C	C	.	.	H	α-helix	trans	-74.8	-44.2	180	-65.2	-180	79.2	0	0	112.2	L75 R77 V88 M109 A110 N115 S116 V120	L75-M113 HydrophobicContact CB-CE 4.07Å; L75-M113 WeakPolarHBondContact O-CE 3.46Å; R77-M113 HydrophobicContact CG-CB 3.6Å; R77-M113 HydrophobicContact CG-CE 3.98Å; R77-M113 HydrophobicContact CG-CG 4.34Å; R77-M113 HydrophobicContact CG-SD 3.84Å; V88-M113 HydrophobicContact CG1-CE 4.42Å; V88-M113 HydrophobicContact CG1-SD 4.19Å; V88-M113 HydrophobicContact CG2-SD 4Å; M109-M113 HydrophobicContact CB-SD 4.34Å; M109-M113 HydrophobicContact CE-SD 3.94Å; M109-M113 WeakPolarHBondContact O-CG 3.44Å; M109-M113 PolarHBondContact O-N 3.28Å; A110-M113 PolarHBondContact O-N 3.16Å; M113-N115 VanDerWaalsContact C-N 3.34Å; M113-N115 PolarHBondContact O-N 2.99Å; M113-S116 PolarHBondContact O-N 2.91Å; M113-S116 VanDerWaalsContact O-N 3.12Å; M113-V120 HydrophobicContact CG-CG2 4.17Å
114	D	87.3	Confident	84.5	Confident	81 Å²	81	35 Å²	35	43%	0.433	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-39.7	-177.7	-66	-14.8	0	0	0	111.9	R77 A110 S116	R77-D114 IonicContact CZ-OD1 3.94Å; R77-D114 IonicContact CZ-OD2 2.6Å; R77-D114 IonicContact NE-OD1 2.63Å; R77-D114 PolarHBondContact NE-OD1 3.13Å; R77-D114 IonicContact NE-OD2 3.91Å; R77-D114 IonicContact NH2-OD1 3.72Å; R77-D114 PolarHBondContact NH2-OD1 3.36Å; R77-D114 IonicContact NH2-OD2 2.75Å; R77-D114 PolarHBondContact NH2-OD2 3.48Å; A110-D114 VanDerWaalsContact O-CB 3.31Å; A110-D114 WeakPolarHBondContact O-CB 3.39Å; A110-D114 PolarHBondContact O-N 3.08Å; D114-S116 VanDerWaalsContact C-N 3.31Å
115	N	84.3	Confident	83.5	Confident	91 Å²	91	34.1 Å²	34.1	49%	0.487	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	5.3	177.1	-61.5	-69.9	0	0	0	113.2	H111 M113 L117	H111-N115 PolarHBondContact CE1-ND2 3.24Å; H111-N115 VanDerWaalsContact CE1-ND2 3.3Å; H111-N115 PolarHBondContact ND1-ND2 2.83Å; H111-N115 WeakPolarHBondContact O-CB 3.43Å; H111-N115 PolarHBondContact O-N 2.85Å; H111-N115 PolarHBondContact O-ND2 2.88Å; M113-N115 VanDerWaalsContact C-N 3.34Å; M113-N115 PolarHBondContact O-N 2.99Å; N115-L117 HydrophobicContact CB-CD1 4.26Å; N115-L117 HydrophobicContact CB-CD2 4.37Å; N115-L117 HydrophobicContact CB-CG 3.88Å; N115-L117 PolarHBondContact O-N 3.15Å; N115-L117 VanDerWaalsContact O-N 3.1Å
116	S	80.9	Confident	82.3	Confident	97 Å²	97	36.1 Å²	36.1	68%	0.678	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	30.6	-180	-58.7	0	0	0	0	114.7	V112 M113 D114	V112-S116 PolarHBondContact O-N 3.36Å; M113-S116 PolarHBondContact O-N 2.91Å; M113-S116 VanDerWaalsContact O-N 3.12Å; D114-S116 VanDerWaalsContact C-N 3.31Å
117	L	81.4	Confident	80.7	Confident	37 Å²	37	36.7 Å²	36.7	19%	0.194	20%	0.2	C	C	.	.	S	Bend	trans	-69.7	-34.9	-177	-62	174.5	0	0	0	112	V112 N115 N146 V150	V112-L117 HydrophobicContact CG1-CB 4.35Å; V112-L117 PolarHBondContact O-N 3.45Å; N115-L117 HydrophobicContact CB-CD1 4.26Å; N115-L117 HydrophobicContact CB-CD2 4.37Å; N115-L117 HydrophobicContact CB-CG 3.88Å; N115-L117 PolarHBondContact O-N 3.15Å; N115-L117 VanDerWaalsContact O-N 3.1Å; L117-N146 WeakPolarHBondContact O-CB 3.39Å; L117-N146 PolarHBondContact O-ND2 2.89Å; L117-N146 VanDerWaalsContact O-ND2 3.13Å; L117-V150 HydrophobicContact CB-CG2 3.61Å
118	A	81.8	Confident	79	Confident	5 Å²	5	40 Å²	40	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	-145.3	142.4	171.1	0	0	0	0	0	110.4	F50 V112 F140 L141 V150	F50-A118 HydrophobicContact CD2-CB 3.9Å; F50-A118 HydrophobicContact CE2-CB 3.67Å; V112-A118 HydrophobicContact CG1-CB 3.67Å; A118-F140 HydrophobicContact CB-CB 4.43Å; A118-F140 HydrophobicContact CB-CD1 4.38Å; A118-L141 CarbonylContact C-O 3.57Å; A118-V150 HydrophobicContact CB-CG1 4.24Å; A118-V150 HydrophobicContact CB-CG2 4.15Å
119	K	80.3	Confident	77.5	Confident	92 Å²	92	46.9 Å²	46.9	40%	0.4	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.6	164	-170	176.1	-172.7	173.8	0	109	F140 L141 E571	K119-F140 WeakPolarHBondContact O-CA 3.5Å; K119-L141 WeakPolarHBondContact CB-O 3.27Å; K119-L141 PolarHBondContact N-O 3.39Å; K119-L141 PolarHBondContact O-N 3.46Å; K119-E571 IonicContact NZ-OE1 2.95Å; K119-E571 PolarHBondContact NZ-OE1 2.88Å
120	V	84.3	Confident	76.2	Confident	15 Å²	15	49.6 Å²	49.6	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.6	179	-164.3	0	0	0	0	110	L75 M109 M113 L138 S139 F140	L75-V120 HydrophobicContact CD1-CB 4.11Å; L75-V120 HydrophobicContact CD1-CG1 3.83Å; M109-V120 HydrophobicContact CE-CB 4.31Å; M109-V120 HydrophobicContact CE-CG1 3.94Å; M109-V120 HydrophobicContact CE-CG2 4.42Å; M113-V120 HydrophobicContact CG-CG2 4.17Å; V120-L138 HydrophobicContact CG1-CB 3.95Å; V120-L138 HydrophobicContact CG1-CD2 4.34Å; V120-S139 WeakPolarHBondContact CA-O 3.45Å; V120-F140 HydrophobicContact CB-CE1 4.48Å; V120-F140 HydrophobicContact CG1-CD1 4.34Å; V120-F140 HydrophobicContact CG1-CE1 4.06Å; V120-F140 HydrophobicContact CG1-CE2 4.25Å; V120-F140 HydrophobicContact CG1-CZ 3.99Å; V120-F140 HydrophobicContact CG2-CD1 3.66Å; V120-F140 HydrophobicContact CG2-CE1 3.55Å; V120-F140 HydrophobicContact CG2-CG 4.48Å; V120-F140 HydrophobicContact CG2-CZ 4.3Å
121	E	82.4	Confident	74.8	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.1	176	-65.9	-177.8	-177.7	0	0	110.1	L138 S139 L141	E121-L138 CarbonylContact O-C 3.59Å; E121-L138 VanDerWaalsContact O-CA 3.32Å; E121-L138 WeakPolarHBondContact O-CA 3.43Å; E121-S139 PolarHBondContact N-O 3.48Å; E121-S139 PolarHBondContact O-N 2.92Å; E121-L141 HydrophobicContact CB-CD1 4.38Å; E121-L141 HydrophobicContact CG-CD1 3.94Å
122	G	83.1	Confident	74.1	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.2	178.8	0	0	0	0	0	113.1	M72 V73 T137	M72-G122 CarbonylContact C-O 3.56Å; M72-G122 WeakPolarHBondContact CA-O 3.21Å; M72-G122 WeakPolarHBondContact CG-O 3.47Å; V73-G122 PolarHBondContact N-O 3.14Å; G122-T137 CarbonylContact C-O 3.57Å; G122-T137 WeakPolarHBondContact CA-O 3.36Å
123	V	80.1	Confident	73.9	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.9	178.7	-172.5	0	0	0	0	110.6	Y125 V136 T137 R575	V123-Y125 HydrophobicContact CB-CE2 4.17Å; V123-Y125 HydrophobicContact CG1-CE1 4.37Å; V123-Y125 HydrophobicContact CG1-CE2 4.04Å; V123-V136 CarbonylContact O-C 3.51Å; V123-V136 WeakPolarHBondContact O-CA 3.25Å; V123-T137 PolarHBondContact N-O 2.84Å; V123-T137 PolarHBondContact O-N 2.84Å; V123-R575 VanDerWaalsContact CG2-NH1 3.28Å
124	V	80.2	Confident	73.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.9	179.4	167.9	0	0	0	0	110.4	V67 G70 E71 V73 M134 V136	V67-V124 HydrophobicContact CG1-CB 3.77Å; V67-V124 HydrophobicContact CG1-CG1 4.07Å; V67-V124 HydrophobicContact CG1-CG2 3.81Å; G70-V124 VanDerWaalsContact CA-O 3.28Å; G70-V124 WeakPolarHBondContact CA-O 3.47Å; G70-V124 PolarHBondContact N-O 3.13Å; E71-V124 PolarHBondContact O-N 3.31Å; V73-V124 HydrophobicContact CG1-CG2 3.97Å; V124-M134 HydrophobicContact CB-SD 4.3Å; V124-M134 HydrophobicContact CG1-CE 4.32Å; V124-M134 HydrophobicContact CG1-CG 3.67Å; V124-M134 HydrophobicContact CG1-SD 3.43Å; V124-M134 WeakPolarHBondContact CG1-SD 3.47Å; V124-M134 HydrophobicContact CG2-CE 3.63Å; V124-M134 HydrophobicContact CG2-CG 4.19Å; V124-M134 HydrophobicContact CG2-SD 3.9Å; V124-V136 HydrophobicContact CG2-CB 4.32Å; V124-V136 HydrophobicContact CG2-CG2 4.31Å
125	Y	66.1	Low	73.8	Confident	113 Å²	113	55.1 Å²	55.1	44%	0.443	31%	0.308	S	S	.	.	S	Bend	trans	-97	-6.7	-179.2	-71.3	-79.2	0	0	0	114.9	R69 V123 T137	R69-Y125 WeakPolarHBondContact CG-O 3.36Å; R69-Y125 PolarHBondContact NE-O 2.93Å; R69-Y125 VanDerWaalsContact NE-O 3.17Å; V123-Y125 HydrophobicContact CB-CE2 4.17Å; V123-Y125 HydrophobicContact CG1-CE1 4.37Å; V123-Y125 HydrophobicContact CG1-CE2 4.04Å; Y125-T137 WeakPolarHBondContact CE2-OG1 3.49Å
126	S	62.7	Low	73.8	Confident	51 Å²	51	50.9 Å²	50.9	36%	0.357	29%	0.285	S	S	.	.			trans	-154.9	104.4	174.1	48.7	0	0	0	0	110.1	N130 P135	S126-N130 PolarHBondContact O-ND2 2.91Å; S126-P135 VanDerWaalsContact OG-CG 3.23Å; S126-P135 WeakPolarHBondContact OG-CG 3.29Å
127	G	55.2	Low	74.1	Confident	12 Å²	12	46.9 Å²	46.9	12%	0.124	26%	0.257	C	S	.	.			trans	-106.5	-36.7	-172.3	0	0	0	0	0	115.8	V67 N129	V67-G127 CarbonylContact O-C 3.57Å; V67-G127 VanDerWaalsContact O-CA 3.27Å; V67-G127 WeakPolarHBondContact O-CA 3.49Å; G127-N129 PolarHBondContact O-N 2.87Å
128	T	51.1	Low	74.4	Confident	102 Å²	102	45.1 Å²	45.1	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.5	-159.3	54.8	0	0	0	0	116.5
129	N	53.9	Low	74.5	Confident	146 Å²	146	45.2 Å²	45.2	78%	0.781	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	7.4	-172.1	-64.3	26	0	0	0	113.4	G127	G127-N129 PolarHBondContact O-N 2.87Å
130	N	61	Low	74.8	Confident	57 Å²	57	40.8 Å²	40.8	31%	0.305	23%	0.229	S	C	.	.			trans	-97	98.5	-169.1	-80.8	-24.9	0	0	0	111.9	L60 S126 S133 M134	L60-N130 HydrophobicContact CD1-CB 4.39Å; L60-N130 WeakPolarHBondContact CD1-O 3.39Å; S126-N130 PolarHBondContact O-ND2 2.91Å; N130-S133 WeakPolarHBondContact CB-O 3.48Å; N130-M134 HydrophobicContact CB-CB 4.32Å
131	S	58.4	Low	74.6	Confident	66 Å²	66	40.7 Å²	40.7	46%	0.462	23%	0.228	S	C	.	.	S	Bend	trans	-83.6	-8.6	-172.2	74.8	0	0	0	0	115.9	R61	R61-S131 WeakPolarHBondContact CG-O 3.26Å; R61-S131 PolarHBondContact NE-O 2.93Å; R61-S131 PolarHBondContact NH2-OG 3.47Å
132	F	71.3	Confident	74.6	Confident	134 Å²	134	40.1 Å²	40.1	59%	0.588	23%	0.227	S	C	*	.	S	Bend	trans	-133.8	-44.2	-177.2	-71.3	-82	0	0	0	113.4
133	S	80.7	Confident	74.4	Confident	56 Å²	56	42.2 Å²	42.2	39%	0.392	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.3	-176.3	60.8	0	0	0	0	111	V57 N130	V57-S133 CarbonylContact O-C 3.57Å; V57-S133 VanDerWaalsContact O-CA 3.23Å; V57-S133 WeakPolarHBondContact O-CA 3.22Å; N130-S133 WeakPolarHBondContact CB-O 3.48Å
134	M	85.4	Confident	74.2	Confident	5 Å²	5	48 Å²	48	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.3	-171.3	172.4	174.8	71.3	0	0	110.1	T56 V57 L60 V67 V98 V124 N130	T56-M134 WeakPolarHBondContact CA-O 3.37Å; V57-M134 HydrophobicContact CB-CB 4.4Å; V57-M134 HydrophobicContact CB-CE 4.12Å; V57-M134 HydrophobicContact CG1-CE 4.34Å; V57-M134 HydrophobicContact CG2-CE 4.01Å; V57-M134 PolarHBondContact N-O 3.32Å; V57-M134 PolarHBondContact O-N 2.83Å; L60-M134 HydrophobicContact CD1-CB 3.69Å; L60-M134 HydrophobicContact CD2-CB 4.33Å; L60-M134 HydrophobicContact CD2-CE 4.07Å; V67-M134 HydrophobicContact CB-CE 4.18Å; V67-M134 HydrophobicContact CB-SD 4.29Å; V67-M134 HydrophobicContact CG2-CE 4.35Å; V98-M134 HydrophobicContact CG1-CE 3.81Å; V124-M134 HydrophobicContact CB-SD 4.3Å; V124-M134 HydrophobicContact CG1-CE 4.32Å; V124-M134 HydrophobicContact CG1-CG 3.67Å; V124-M134 HydrophobicContact CG1-SD 3.43Å; V124-M134 WeakPolarHBondContact CG1-SD 3.47Å; V124-M134 HydrophobicContact CG2-CE 3.63Å; V124-M134 HydrophobicContact CG2-CG 4.19Å; V124-M134 HydrophobicContact CG2-SD 3.9Å; N130-M134 HydrophobicContact CB-CB 4.32Å
135	P	84.6	Confident	74.2	Confident	59 Å²	59	56.2 Å²	56.2	38%	0.383	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.7	179	30.9	-33.6	0	0	0	110.8	S126	S126-P135 VanDerWaalsContact OG-CG 3.23Å; S126-P135 WeakPolarHBondContact OG-CG 3.29Å
136	V	85.8	Confident	75	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.6	177.1	61.3	0	0	0	0	108.9	G55 V57 V73 I101 V123 V124 L138	G55-V136 CarbonylContact C-O 3.55Å; G55-V136 WeakPolarHBondContact CA-O 3.28Å; G55-V136 PolarHBondContact N-O 3.47Å; G55-V136 PolarHBondContact O-N 2.89Å; G55-V136 VanDerWaalsContact O-N 3.12Å; V57-V136 HydrophobicContact CG2-CB 3.98Å; V57-V136 HydrophobicContact CG2-CG1 3.76Å; V73-V136 HydrophobicContact CG2-CG2 3.93Å; I101-V136 HydrophobicContact CD1-CG1 3.96Å; V123-V136 CarbonylContact O-C 3.51Å; V123-V136 WeakPolarHBondContact O-CA 3.25Å; V124-V136 HydrophobicContact CG2-CB 4.32Å; V124-V136 HydrophobicContact CG2-CG2 4.31Å; V136-L138 HydrophobicContact CG1-CD2 4.27Å; V136-L138 HydrophobicContact CG2-CD2 4.1Å
137	T	86.5	Confident	75.8	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.5	167.3	-60.1	0	0	0	0	108.8	Q52 L53 G122 V123 Y125	Q52-T137 HydrophobicContact CB-CG2 4.08Å; Q52-T137 HydrophobicContact CG-CG2 4.46Å; L53-T137 CarbonylContact O-C 3.54Å; L53-T137 WeakPolarHBondContact O-CA 3.36Å; G122-T137 CarbonylContact C-O 3.57Å; G122-T137 WeakPolarHBondContact CA-O 3.36Å; V123-T137 PolarHBondContact N-O 2.84Å; V123-T137 PolarHBondContact O-N 2.84Å; Y125-T137 WeakPolarHBondContact CE2-OG1 3.49Å
138	L	86.9	Confident	77.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.3	178	-55.2	177.6	0	0	0	108.9	Q52 L53 L75 L105 M109 V120 E121 V136 F140	Q52-L138 CarbonylContact C-O 3.49Å; Q52-L138 VanDerWaalsContact CA-O 3.29Å; Q52-L138 WeakPolarHBondContact CA-O 3.3Å; L53-L138 PolarHBondContact N-O 2.98Å; L53-L138 PolarHBondContact O-N 3.39Å; L75-L138 HydrophobicContact CD1-CD2 3.65Å; L105-L138 HydrophobicContact CD1-CD1 4.3Å; L105-L138 HydrophobicContact CD2-CD1 3.76Å; L105-L138 HydrophobicContact CG-CD1 4.19Å; M109-L138 HydrophobicContact CE-CD1 4Å; M109-L138 HydrophobicContact SD-CD1 3.39Å; M109-L138 WeakPolarHBondContact SD-CD1 3.42Å; V120-L138 HydrophobicContact CG1-CB 3.95Å; V120-L138 HydrophobicContact CG1-CD2 4.34Å; E121-L138 CarbonylContact O-C 3.59Å; E121-L138 VanDerWaalsContact O-CA 3.32Å; E121-L138 WeakPolarHBondContact O-CA 3.43Å; V136-L138 HydrophobicContact CG1-CD2 4.27Å; V136-L138 HydrophobicContact CG2-CD2 4.1Å; L138-F140 HydrophobicContact CB-CE2 3.92Å; L138-F140 HydrophobicContact CB-CZ 4.49Å
139	S	85.8	Confident	78.6	Confident	7 Å²	7	56.3 Å²	56.3	5%	0.049	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.1	172.8	-51.9	0	0	0	0	108.8	V120 E121	V120-S139 WeakPolarHBondContact CA-O 3.45Å; E121-S139 PolarHBondContact N-O 3.48Å; E121-S139 PolarHBondContact O-N 2.92Å
140	F	85.8	Confident	80	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.9	-179	-68	-102.7	0	0	0	109.3	F50 G51 L53 M109 V112 A118 K119 V120 L138 V150 M154 L161	F50-F140 HydrophobicContact CB-CB 4.25Å; F50-F140 HydrophobicContact CD2-CB 4.46Å; F50-F140 PolarHBondContact N-O 2.95Å; G51-F140 PolarHBondContact O-N 3.37Å; G51-F140 VanDerWaalsContact O-N 3.07Å; L53-F140 HydrophobicContact CB-CE2 4.2Å; M109-F140 HydrophobicContact CG-CE1 4.41Å; M109-F140 HydrophobicContact CG-CZ 4.17Å; V112-F140 HydrophobicContact CG1-CD1 4.44Å; A118-F140 HydrophobicContact CB-CB 4.43Å; A118-F140 HydrophobicContact CB-CD1 4.38Å; K119-F140 WeakPolarHBondContact O-CA 3.5Å; V120-F140 HydrophobicContact CB-CE1 4.48Å; V120-F140 HydrophobicContact CG1-CD1 4.34Å; V120-F140 HydrophobicContact CG1-CE1 4.06Å; V120-F140 HydrophobicContact CG1-CE2 4.25Å; V120-F140 HydrophobicContact CG1-CZ 3.99Å; V120-F140 HydrophobicContact CG2-CD1 3.66Å; V120-F140 HydrophobicContact CG2-CE1 3.55Å; V120-F140 HydrophobicContact CG2-CG 4.48Å; V120-F140 HydrophobicContact CG2-CZ 4.3Å; L138-F140 HydrophobicContact CB-CE2 3.92Å; L138-F140 HydrophobicContact CB-CZ 4.49Å; F140-V150 HydrophobicContact CD1-CG1 4.41Å; F140-M154 HydrophobicContact CE1-CE 4.26Å; F140-M154 HydrophobicContact CE1-SD 4.45Å; F140-M154 HydrophobicContact CE2-CE 4.42Å; F140-M154 HydrophobicContact CZ-CE 3.76Å; F140-L161 HydrophobicContact CB-CD1 4.37Å; F140-L161 HydrophobicContact CD2-CD1 4.27Å; F140-L161 HydrophobicContact CD2-CD2 3.6Å; F140-L161 HydrophobicContact CE2-CD2 3.63Å; F140-L161 HydrophobicContact CG-CD1 4.22Å; F140-L161 HydrophobicContact CG-CD2 4.33Å; F140-L161 HydrophobicContact CZ-CD2 4.37Å
141	L	80.5	Confident	81.1	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	-178.7	-55	94.9	0	0	0	110.6	V48 L49 A118 K119 E121	V48-L141 CarbonylContact O-C 3.55Å; V48-L141 VanDerWaalsContact O-CA 3.3Å; V48-L141 WeakPolarHBondContact O-CA 3.43Å; L49-L141 HydrophobicContact CD1-CD1 4.47Å; L49-L141 HydrophobicContact CD1-CG 4.06Å; A118-L141 CarbonylContact C-O 3.57Å; K119-L141 WeakPolarHBondContact CB-O 3.27Å; K119-L141 PolarHBondContact N-O 3.39Å; K119-L141 PolarHBondContact O-N 3.46Å; E121-L141 HydrophobicContact CB-CD1 4.38Å; E121-L141 HydrophobicContact CG-CD1 3.94Å
142	G	81.5	Confident	82.3	Confident	6 Å²	6	52.3 Å²	52.3	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	178.6	177.6	0	0	0	0	0	113.3	S47 V48 F50	S47-G142 CarbonylContact C-O 3.58Å; S47-G142 WeakPolarHBondContact CA-O 3.43Å; V48-G142 PolarHBondContact N-O 2.95Å; V48-G142 PolarHBondContact O-N 2.8Å; F50-G142 WeakPolarHBondContact CE1-O 3.38Å; F50-G142 VanDerWaalsContact CZ-CA 3.47Å; F50-G142 WeakPolarHBondContact CZ-O 3.4Å
143	S	79	Confident	82.9	Confident	43 Å²	43	47.8 Å²	47.8	30%	0.301	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.6	178.5	-172.6	0	0	0	0	111.6	F50 E145 N146	F50-S143 WeakPolarHBondContact CZ-O 3.39Å; S143-E145 PolarHBondContact O-N 3.05Å; S143-E145 VanDerWaalsContact O-N 3.11Å; S143-N146 WeakPolarHBondContact O-CB 3.45Å; S143-N146 PolarHBondContact O-N 2.98Å
144	E	76.7	Confident	83.1	Confident	124 Å²	124	45.1 Å²	45.1	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-55.3	-33.5	-175.8	-173.7	161.2	-140.8	0	0	113.2	V48 N146 R147	V48-E144 HydrophobicContact CG2-CB 4.19Å; E144-N146 PolarHBondContact O-N 3.03Å; E144-R147 WeakPolarHBondContact O-CB 3.38Å; E144-R147 PolarHBondContact O-N 3.14Å
145	E	80.3	Confident	83	Confident	172 Å²	172	47.2 Å²	47.2	80%	0.804	25%	0.254	S	S	*	.	H	α-helix	trans	-54.3	-34.2	173.7	-60.7	175.2	174.3	0	0	113.4	S143	S143-E145 PolarHBondContact O-N 3.05Å; S143-E145 VanDerWaalsContact O-N 3.11Å
146	N	82.4	Confident	82.8	Confident	50 Å²	50	48.7 Å²	48.7	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-86.8	-10.3	-178.6	-70.6	-16.2	0	0	0	113.5	F50 L117 S143 E144 D148 A149 V150	F50-N146 HydrophobicContact CE2-CB 4.34Å; F50-N146 HydrophobicContact CZ-CB 4.11Å; L117-N146 WeakPolarHBondContact O-CB 3.39Å; L117-N146 PolarHBondContact O-ND2 2.89Å; L117-N146 VanDerWaalsContact O-ND2 3.13Å; S143-N146 WeakPolarHBondContact O-CB 3.45Å; S143-N146 PolarHBondContact O-N 2.98Å; E144-N146 PolarHBondContact O-N 3.03Å; N146-D148 PolarHBondContact O-N 3.05Å; N146-A149 PolarHBondContact O-N 3.36Å; N146-V150 WeakPolarHBondContact O-CG2 3.13Å; N146-V150 PolarHBondContact O-N 3.09Å
147	R	79.5	Confident	82.7	Confident	83 Å²	83	56.1 Å²	56.1	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-54.9	-52.3	-173.1	-176.2	177.4	-171.5	169	4	111.7	F50 E144 A149 V150 V151	F50-R147 HydrophobicContact CB-CG 4.43Å; F50-R147 HydrophobicContact CD1-CB 3.7Å; F50-R147 HydrophobicContact CD1-CG 3.64Å; F50-R147 HydrophobicContact CE1-CB 3.63Å; F50-R147 HydrophobicContact CE1-CG 4.11Å; F50-R147 HydrophobicContact CG-CB 4.33Å; F50-R147 HydrophobicContact CG-CG 4.13Å; F50-R147 HydrophobicContact CZ-CB 4.2Å; E144-R147 WeakPolarHBondContact O-CB 3.38Å; E144-R147 PolarHBondContact O-N 3.14Å; R147-A149 PolarHBondContact O-N 3.03Å; R147-V150 PolarHBondContact O-N 3.12Å; R147-V151 WeakPolarHBondContact O-CB 3.35Å; R147-V151 VanDerWaalsContact O-CG2 3.26Å; R147-V151 WeakPolarHBondContact O-CG2 3.26Å; R147-V151 PolarHBondContact O-N 3.4Å
148	D	81.4	Confident	82.3	Confident	96 Å²	96	58.7 Å²	58.7	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-39.5	-178.1	-106.6	30.9	0	0	0	112.7	N146 K152	N146-D148 PolarHBondContact O-N 3.05Å; D148-K152 VanDerWaalsContact O-CB 3.27Å; D148-K152 WeakPolarHBondContact O-CB 3.17Å; D148-K152 WeakPolarHBondContact O-CD 3.31Å; D148-K152 WeakPolarHBondContact O-CG 3.3Å; D148-K152 PolarHBondContact O-N 3.46Å; D148-K152 IonicContact OD2-NZ 3.91Å; D148-K152 PolarHBondContact OD2-NZ 2.89Å
149	A	83.6	Confident	82.1	Confident	52 Å²	52	61 Å²	61	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-45.6	178.2	0	0	0	0	0	111.3	N146 R147 H153	N146-A149 PolarHBondContact O-N 3.36Å; R147-A149 PolarHBondContact O-N 3.03Å; A149-H153 VanDerWaalsContact O-CB 3.26Å; A149-H153 WeakPolarHBondContact O-CB 3.33Å; A149-H153 PolarHBondContact O-N 3.05Å
150	V	82.4	Confident	81.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-69.8	-43.5	-179.1	174.4	0	0	0	0	111.4	F50 V112 L117 A118 F140 N146 R147 H153 M154 L161	F50-V150 HydrophobicContact CD2-CB 3.94Å; F50-V150 HydrophobicContact CD2-CG1 3.95Å; F50-V150 HydrophobicContact CD2-CG2 4.27Å; F50-V150 HydrophobicContact CE2-CB 4.14Å; F50-V150 HydrophobicContact CE2-CG1 4.48Å; F50-V150 HydrophobicContact CE2-CG2 3.98Å; V112-V150 HydrophobicContact CG1-CG1 4.14Å; V112-V150 HydrophobicContact CG1-CG2 4.25Å; V112-V150 HydrophobicContact CG2-CG1 4.33Å; L117-V150 HydrophobicContact CB-CG2 3.61Å; A118-V150 HydrophobicContact CB-CG1 4.24Å; A118-V150 HydrophobicContact CB-CG2 4.15Å; F140-V150 HydrophobicContact CD1-CG1 4.41Å; N146-V150 WeakPolarHBondContact O-CG2 3.13Å; N146-V150 PolarHBondContact O-N 3.09Å; R147-V150 PolarHBondContact O-N 3.12Å; V150-H153 PolarHBondContact O-N 3.16Å; V150-M154 HydrophobicContact CG1-CG 4.4Å; V150-M154 WeakPolarHBondContact O-CB 2.89Å; V150-M154 WeakPolarHBondContact O-CG 3.15Å; V150-M154 PolarHBondContact O-N 3.46Å; V150-L161 HydrophobicContact CG1-CD1 4.32Å
151	V	84.5	Confident	81.6	Confident	52 Å²	52	71.4 Å²	71.4	32%	0.315	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-46.3	177	171.9	0	0	0	0	110.9	R147 A155 L161	R147-V151 WeakPolarHBondContact O-CB 3.35Å; R147-V151 VanDerWaalsContact O-CG2 3.26Å; R147-V151 WeakPolarHBondContact O-CG2 3.26Å; R147-V151 PolarHBondContact O-N 3.4Å; V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.09Å; V151-A155 PolarHBondContact O-N 3.36Å; V151-L161 HydrophobicContact CG2-CD1 4.23Å
152	K	83	Confident	81.1	Confident	133 Å²	133	75.5 Å²	75.5	58%	0.578	39%	0.394	S	S	*	.	H	α-helix	trans	-63.9	-41.6	176.5	-71	166	-168.3	158.1	0	111.7	D148 A155 S156	D148-K152 VanDerWaalsContact O-CB 3.27Å; D148-K152 WeakPolarHBondContact O-CB 3.17Å; D148-K152 WeakPolarHBondContact O-CD 3.31Å; D148-K152 WeakPolarHBondContact O-CG 3.3Å; D148-K152 PolarHBondContact O-N 3.46Å; D148-K152 IonicContact OD2-NZ 3.91Å; D148-K152 PolarHBondContact OD2-NZ 2.89Å; K152-A155 PolarHBondContact O-N 2.67Å; K152-S156 WeakPolarHBondContact O-CB 3.48Å; K152-S156 PolarHBondContact O-N 2.87Å
153	H	85.2	Confident	79.7	Confident	38 Å²	38	78.8 Å²	78.8	18%	0.176	42%	0.421	C	S	.	.	H	α-helix	trans	-62.5	-50.4	177.7	-169.7	86.5	0	0	0	112.2	H111 A149 V150 A155 S156 R157	H111-H153 AromaticContact CD2-CE1 3.2Å; H111-H153 PolarHBondContact CD2-CE1 2.92Å; H111-H153 AromaticContact CD2-ND1 3.51Å; H111-H153 AromaticContact CD2-NE2 3.57Å; H111-H153 AromaticContact CG-CE1 3.62Å; H111-H153 AromaticContact CG-NE2 3.79Å; H111-H153 AromaticContact NE2-CE1 3.9Å; H111-H153 AromaticContact NE2-ND1 3.98Å; A149-H153 VanDerWaalsContact O-CB 3.26Å; A149-H153 WeakPolarHBondContact O-CB 3.33Å; A149-H153 PolarHBondContact O-N 3.05Å; V150-H153 PolarHBondContact O-N 3.16Å; H153-A155 VanDerWaalsContact C-N 3.34Å; H153-A155 PolarHBondContact O-N 3.5Å; H153-S156 PolarHBondContact O-N 2.9Å; H153-S156 PolarHBondContact O-OG 3.28Å; H153-R157 PolarHBondContact O-N 3.49Å
154	M	84.9	Confident	78	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-61.3	-42.9	177.8	-70.1	-63.1	-73.4	0	0	111.4	L53 L105 A108 V112 F140 V150 S156 R157 G158 F159 L161	L53-M154 HydrophobicContact CD2-CE 3.67Å; L105-M154 HydrophobicContact CD1-CE 4.38Å; A108-M154 HydrophobicContact CB-CE 4.33Å; A108-M154 HydrophobicContact CB-SD 3.97Å; V112-M154 HydrophobicContact CG2-SD 4.41Å; F140-M154 HydrophobicContact CE1-CE 4.26Å; F140-M154 HydrophobicContact CE1-SD 4.45Å; F140-M154 HydrophobicContact CE2-CE 4.42Å; F140-M154 HydrophobicContact CZ-CE 3.76Å; V150-M154 HydrophobicContact CG1-CG 4.4Å; V150-M154 WeakPolarHBondContact O-CB 2.89Å; V150-M154 WeakPolarHBondContact O-CG 3.15Å; V150-M154 PolarHBondContact O-N 3.46Å; M154-S156 PolarHBondContact O-N 2.98Å; M154-R157 CarbonylContact O-C 3.56Å; M154-R157 PolarHBondContact O-N 3.25Å; M154-G158 PolarHBondContact O-N 3Å; M154-F159 CarbonylContact C-O 3.58Å; M154-F159 WeakPolarHBondContact CB-O 3.32Å; M154-F159 HydrophobicContact CE-CB 3.9Å; M154-F159 HydrophobicContact CE-CD2 4.48Å; M154-F159 HydrophobicContact CE-CG 4.36Å; M154-F159 PolarHBondContact O-N 3.17Å; M154-F159 VanDerWaalsContact O-O 3.07Å; M154-L161 HydrophobicContact CB-CD1 4.5Å; M154-L161 HydrophobicContact CB-CG 4.31Å; M154-L161 HydrophobicContact CE-CD2 4.34Å; M154-L161 HydrophobicContact CG-CD1 4.27Å; M154-L161 HydrophobicContact CG-CG 4.44Å
155	A	83.9	Confident	76.1	Confident	50 Å²	50	81.6 Å²	81.6	41%	0.413	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-40.3	177.1	0	0	0	0	0	112.4	V151 K152 H153 R157 G158 F159	V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.09Å; V151-A155 PolarHBondContact O-N 3.36Å; K152-A155 PolarHBondContact O-N 2.67Å; H153-A155 VanDerWaalsContact C-N 3.34Å; H153-A155 PolarHBondContact O-N 3.5Å; A155-R157 PolarHBondContact O-N 3.48Å; A155-G158 PolarHBondContact O-N 3.26Å; A155-F159 WeakPolarHBondContact CA-O 3.27Å; A155-F159 PolarHBondContact N-O 3.44Å; A155-F159 VanDerWaalsContact N-O 3.17Å
156	S	80.4	Confident	73.6	Confident	89 Å²	89	76.2 Å²	76.2	62%	0.622	45%	0.447	S	S	*	.	H	α-helix	trans	-61.8	-22.5	174.9	80.3	0	0	0	0	113.9	K152 H153 M154	K152-S156 WeakPolarHBondContact O-CB 3.48Å; K152-S156 PolarHBondContact O-N 2.87Å; H153-S156 PolarHBondContact O-N 2.9Å; H153-S156 PolarHBondContact O-OG 3.28Å; M154-S156 PolarHBondContact O-N 2.98Å
157	R	82	Confident	71.3	Confident	158 Å²	158	77.8 Å²	77.8	60%	0.596	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	6.2	175.5	-64.6	-62	-168.6	174.4	-0.7	113.2	A108 H153 M154 A155 F159	A108-R157 HydrophobicContact CB-CB 3.89Å; A108-R157 HydrophobicContact CB-CG 4.12Å; H153-R157 PolarHBondContact O-N 3.49Å; M154-R157 CarbonylContact O-C 3.56Å; M154-R157 PolarHBondContact O-N 3.25Å; A155-R157 PolarHBondContact O-N 3.48Å; R157-F159 HydrophobicContact CB-CD2 4.14Å
158	G	79.1	Confident	68.8	Low	68 Å²	68	78.6 Å²	78.6	70%	0.701	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	6.1	178.2	0	0	0	0	0	115.2	M154 A155	M154-G158 PolarHBondContact O-N 3Å; A155-G158 PolarHBondContact O-N 3.26Å
159	F	83.1	Confident	66.4	Low	48 Å²	48	79.3 Å²	79.3	21%	0.211	52%	0.519	C	S	.	.			trans	-107.1	114	180	-61.2	-75.2	0	0	0	110.8	L53 E104 L105 A108 M154 A155 R157	L53-F159 HydrophobicContact CD1-CB 4.42Å; L53-F159 HydrophobicContact CD1-CD1 4.22Å; L53-F159 HydrophobicContact CD2-CB 3.88Å; L53-F159 HydrophobicContact CD2-CD1 3.94Å; L53-F159 HydrophobicContact CD2-CG 4.08Å; E104-F159 HydrophobicContact CB-CZ 4.45Å; L105-F159 HydrophobicContact CB-CE1 4.47Å; L105-F159 HydrophobicContact CB-CZ 4.14Å; L105-F159 HydrophobicContact CD1-CD1 4.3Å; L105-F159 HydrophobicContact CD1-CE1 4.18Å; L105-F159 HydrophobicContact CD1-CE2 4.46Å; L105-F159 HydrophobicContact CD1-CZ 4.26Å; A108-F159 HydrophobicContact CB-CD2 3.73Å; A108-F159 HydrophobicContact CB-CE2 3.81Å; M154-F159 CarbonylContact C-O 3.58Å; M154-F159 WeakPolarHBondContact CB-O 3.32Å; M154-F159 HydrophobicContact CE-CB 3.9Å; M154-F159 HydrophobicContact CE-CD2 4.48Å; M154-F159 HydrophobicContact CE-CG 4.36Å; M154-F159 PolarHBondContact O-N 3.17Å; M154-F159 VanDerWaalsContact O-O 3.07Å; A155-F159 WeakPolarHBondContact CA-O 3.27Å; A155-F159 PolarHBondContact N-O 3.44Å; A155-F159 VanDerWaalsContact N-O 3.17Å; R157-F159 HydrophobicContact CB-CD2 4.14Å
160	R	80.9	Confident	63.7	Low	206 Å²	206	80.7 Å²	80.7	78%	0.777	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-85.4	137.5	169.8	-66.6	-175.4	179.7	-172.2	-1	109.5
161	L	79.4	Confident	61.2	Low	19 Å²	19	85.5 Å²	85.5	10%	0.099	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-93.9	117.5	171.2	-61.2	-178.2	0	0	0	107.6	F50 L53 F140 V150 V151 M154 A163	F50-L161 HydrophobicContact CB-CD1 4.47Å; L53-L161 HydrophobicContact CB-CD2 3.97Å; L53-L161 HydrophobicContact CD2-CD2 4.38Å; F140-L161 HydrophobicContact CB-CD1 4.37Å; F140-L161 HydrophobicContact CD2-CD1 4.27Å; F140-L161 HydrophobicContact CD2-CD2 3.6Å; F140-L161 HydrophobicContact CE2-CD2 3.63Å; F140-L161 HydrophobicContact CG-CD1 4.22Å; F140-L161 HydrophobicContact CG-CD2 4.33Å; F140-L161 HydrophobicContact CZ-CD2 4.37Å; V150-L161 HydrophobicContact CG1-CD1 4.32Å; V151-L161 HydrophobicContact CG2-CD1 4.23Å; M154-L161 HydrophobicContact CB-CD1 4.5Å; M154-L161 HydrophobicContact CB-CG 4.31Å; M154-L161 HydrophobicContact CE-CD2 4.34Å; M154-L161 HydrophobicContact CG-CD1 4.27Å; M154-L161 HydrophobicContact CG-CG 4.44Å; L161-A163 PolarHBondContact O-N 3.44Å
162	D	69.6	Low	58.5	Low	98 Å²	98	93.8 Å²	93.8	52%	0.524	61%	0.61	S	S	.	*	B	Isolated β-bridge	trans	-76.3	119	177.4	-67	-35.1	0	0	0	108.7	G51 Q52	G51-D162 CarbonylContact C-O 3.52Å; G51-D162 WeakPolarHBondContact CA-O 3.39Å; Q52-D162 PolarHBondContact N-O 3.42Å; Q52-D162 PolarHBondContact O-N 3.07Å
163	A	53.3	Low	55.8	Low	76 Å²	76	90.9 Å²	90.9	63%	0.628	62%	0.618	S	S	*	*	S	Bend	trans	-82.8	-14.3	-178.2	0	0	0	0	0	113.3	L161	L161-A163 PolarHBondContact O-N 3.44Å
164	D	42	Very low	53.1	Low	143 Å²	143	101.3 Å²	101.3	77%	0.765	66%	0.655	S	S	*	*	S	Bend	trans	-137.7	148.3	179.2	-163.7	6.5	0	0	0	110.8	G166	D164-G166 PolarHBondContact O-N 3.01Å
165	G	38.1	Very low	50.2	Low	83 Å²	83	106.9 Å²	106.9	86%	0.856	69%	0.694	S	S	*	*	S	Bend	trans	-76.8	30.5	-168.3	0	0	0	0	0	115.7
166	G	26.9	Very low	47.4	Very low	59 Å²	59	114.6 Å²	114.6	61%	0.608	72%	0.719	S	S	*	*			trans	-101.8	114.1	-179.3	0	0	0	0	0	112	D164	D164-G166 PolarHBondContact O-N 3.01Å
167	G	33.3	Very low	44.7	Very low	83 Å²	83	113.1 Å²	113.1	86%	0.856	72%	0.718	S	S	*	*			trans	-76.4	128.1	-177	0	0	0	0	0	114
168	A	27.1	Very low	42.1	Very low	99 Å²	99	111.6 Å²	111.6	82%	0.818	73%	0.731	S	S	*	*			trans	-142.4	143.6	160.4	0	0	0	0	0	110.5
169	A	32.8	Very low	40	Very low	111 Å²	111	114.4 Å²	114.4	92%	0.917	74%	0.738	S	S	*	*			trans	-82.9	151.3	-173.2	0	0	0	0	0	113.2
170	G	26.3	Very low	37.1	Very low	82 Å²	82	115.5 Å²	115.5	85%	0.845	76%	0.763	S	S	*	*			trans	-165	42.5	-174.9	0	0	0	0	0	117.5
171	A	30	Very low	34.4	Very low	101 Å²	101	110.2 Å²	110.2	84%	0.835	76%	0.757	S	S	*	*			trans	-144.9	122.7	167.1	0	0	0	0	0	111.6	G173	A171-G173 PolarHBondContact O-N 3.3Å
172	K	28.4	Very low	31.8	Very low	225 Å²	225	115.4 Å²	115.4	98%	0.978	80%	0.795	S	S	*	*			trans	-77.6	118.1	178	-70.5	179.8	177.2	178.1	0	110.3
173	G	26.3	Very low	29.6	Very low	72 Å²	72	119 Å²	119	74%	0.742	81%	0.806	S	S	*	*			trans	-161	130	174.1	0	0	0	0	0	111	A171	A171-G173 PolarHBondContact O-N 3.3Å
174	R	27.3	Very low	28.2	Very low	257 Å²	257	120.4 Å²	120.4	97%	0.97	81%	0.811	S	S	*	*			trans	-48.4	141.1	-165.6	-70.2	172.9	168.7	169.5	-4.7	116
175	S	23.4	Very low	27.4	Very low	117 Å²	117	120.7 Å²	120.7	82%	0.818	81%	0.806	S	S	*	*			trans	-81.4	146.7	176.1	172.6	0	0	0	0	113.5
176	F	26.4	Very low	26.8	Very low	212 Å²	212	126.2 Å²	126.2	93%	0.93	81%	0.806	S	S	*	*			trans	-153.7	124.3	143.4	-151.7	-95.3	0	0	0	111.7
177	G	24	Very low	27	Very low	59 Å²	59	132.9 Å²	132.9	61%	0.608	82%	0.819	S	S	*	*			trans	89.7	74.3	147.5	0	0	0	0	0	122.2
178	S	26.6	Very low	26.8	Very low	125 Å²	125	131.4 Å²	131.4	87%	0.874	80%	0.804	S	S	*	*			trans	54.1	162.7	131.4	-91.9	0	0	0	0	123.5
179	P	34.4	Very low	27.1	Very low	128 Å²	128	132.8 Å²	132.8	83%	0.831	80%	0.802	S	S	*	*				-112.5	153.5	-128	40.8	-35.6	0	0	0	116.6
180	G	22.5	Very low	27.3	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	78%	0.782	S	S	*	*			trans	-141.6	112.2	173.1	0	0	0	0	0	113
181	S	25.1	Very low	28.4	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	77%	0.772	S	S	*	*			trans	18.3	105.4	170.8	67.4	0	0	0	0	119.1	F183	S181-F183 VanDerWaalsContact C-N 3.32Å; S181-F183 PolarHBondContact O-N 3.15Å
182	S	23.4	Very low	29.4	Very low	129 Å²	129	132.7 Å²	132.7	90%	0.902	76%	0.759	S	S	*	*			trans	-69.7	80.9	161.2	37.7	0	0	0	0	111.8	S184	S182-S184 PolarHBondContact O-N 2.82Å; S182-S184 VanDerWaalsContact O-N 3.13Å
183	F	23.8	Very low	30.8	Very low	174 Å²	174	122.9 Å²	122.9	76%	0.763	72%	0.717	S	S	*	*			trans	-76.6	99.5	169.5	-94.7	-82.7	0	0	0	111.2	S181 F185	S181-F183 VanDerWaalsContact C-N 3.32Å; S181-F183 PolarHBondContact O-N 3.15Å; F183-F185 PolarHBondContact O-N 2.84Å
184	S	24.4	Very low	32.2	Very low	104 Å²	104	122.7 Å²	122.7	73%	0.727	70%	0.701	S	S	*	*			trans	-54.5	119.9	163.5	-178.2	0	0	0	0	109.6	S182 K186	S182-S184 PolarHBondContact O-N 2.82Å; S182-S184 VanDerWaalsContact O-N 3.13Å; S184-K186 PolarHBondContact O-N 3.25Å
185	F	26.3	Very low	33.3	Very low	150 Å²	150	113.3 Å²	113.3	66%	0.658	68%	0.679	S	S	*	*			trans	-68.5	117.5	159	-98.6	-109.5	0	0	0	106.8	F183 K187	F183-F185 PolarHBondContact O-N 2.84Å; F185-K187 VanDerWaalsContact C-N 3.32Å; F185-K187 PolarHBondContact O-N 2.68Å
186	K	25.3	Very low	34.5	Very low	199 Å²	199	114.5 Å²	114.5	87%	0.865	67%	0.672	S	S	*	*			trans	-51.8	105.1	162.1	-76	-177.2	176.8	-177.8	0	106.7	S184 G188	S184-K186 PolarHBondContact O-N 3.25Å; K186-G188 PolarHBondContact O-N 2.8Å
187	K	30.4	Very low	36	Very low	198 Å²	198	108 Å²	108	86%	0.861	64%	0.644	S	S	*	*			trans	-64.5	87.7	159.3	-157.6	-178.9	-169.9	-175.4	0	103.6	F185 V189	F185-K187 VanDerWaalsContact C-N 3.32Å; F185-K187 PolarHBondContact O-N 2.68Å; K187-V189 PolarHBondContact O-N 3.4Å
188	G	28.8	Very low	37.4	Very low	53 Å²	53	106.1 Å²	106.1	55%	0.546	62%	0.62	S	S	.	*			trans	-54.4	115.7	169.6	0	0	0	0	0	105	K186 T190	K186-G188 PolarHBondContact O-N 2.8Å; G188-T190 PolarHBondContact O-N 3.48Å
189	V	33.2	Very low	38.6	Very low	128 Å²	128	102 Å²	102	78%	0.776	59%	0.586	S	S	*	*			trans	-70.1	83.2	168.5	179.7	0	0	0	0	104.3	K187 I191	K187-V189 PolarHBondContact O-N 3.4Å; V189-I191 PolarHBondContact O-N 2.9Å
190	T	37.7	Very low	39.8	Very low	82 Å²	82	99.9 Å²	99.9	50%	0.503	57%	0.568	S	S	.	*			trans	-62.1	97.6	164.1	43.5	0	0	0	0	104.7	G188 P192	G188-T190 PolarHBondContact O-N 3.48Å; T190-P192 VanDerWaalsContact O-CD 3.32Å; T190-P192 WeakPolarHBondContact O-CD 3.32Å
191	I	48.1	Very low	41.5	Very low	125 Å²	125	97.4 Å²	97.4	64%	0.641	54%	0.541	S	S	*	.			trans	-52.1	114.9	168.3	-59.2	172.1	0	0	0	104.7	V189 L193	V189-I191 PolarHBondContact O-N 2.9Å; I191-L193 PolarHBondContact O-N 3.49Å
192	P	52.3	Low	43.1	Very low	84 Å²	84	94.3 Å²	94.3	55%	0.545	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-61.5	136.3	-179.3	26.1	-32.9	0	0	0	107.5	T190 T194	T190-P192 VanDerWaalsContact O-CD 3.32Å; T190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-T194 PolarHBondContact O-N 3.17Å
193	L	57.1	Low	44.6	Very low	20 Å²	20	91.8 Å²	91.8	11%	0.105	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-54.6	138.1	176.5	-70.1	157.9	0	0	0	109.2	I191 E197 L198 G584 R586 L589	I191-L193 PolarHBondContact O-N 3.49Å; L193-E197 WeakPolarHBondContact CA-OE2 3.37Å; L193-E197 HydrophobicContact CB-CB 4.16Å; L193-E197 HydrophobicContact CD2-CB 3.7Å; L193-E197 HydrophobicContact CD2-CG 4.47Å; L193-L198 HydrophobicContact CB-CB 4.21Å; L193-L198 HydrophobicContact CD1-CD1 4.27Å; L193-G584 PolarHBondContact N-O 2.94Å; L193-R586 HydrophobicContact CD1-CG 3.92Å; L193-R586 HydrophobicContact CD2-CG 3.88Å; L193-R586 HydrophobicContact CG-CG 3.68Å; L193-L589 HydrophobicContact CD1-CB 4.47Å; L193-L589 HydrophobicContact CD1-CD2 3.49Å; L193-L589 VanDerWaalsContact CD1-CD2 3.49Å
194	T	56.4	Low	46.4	Very low	68 Å²	68	87.4 Å²	87.4	42%	0.417	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-63	159.3	167.5	75.9	0	0	0	0	109.6	P192 E196 E197 L198	P192-T194 PolarHBondContact O-N 3.17Å; T194-E196 PolarHBondContact O-N 2.88Å; T194-E196 VanDerWaalsContact O-N 3.12Å; T194-E196 PolarHBondContact OG1-N 2.83Å; T194-E197 PolarHBondContact N-OE2 3.14Å; T194-E197 VanDerWaalsContact N-OE2 3.11Å; T194-E197 PolarHBondContact O-N 3.36Å; T194-E197 VanDerWaalsContact O-N 3.15Å; T194-E197 PolarHBondContact OG1-N 3.13Å; T194-E197 VanDerWaalsContact OG1-N 3.08Å; T194-L198 WeakPolarHBondContact O-CB 3.35Å; T194-L198 PolarHBondContact O-N 2.91Å
195	A	49.9	Very low	48.4	Very low	60 Å²	60	82.6 Å²	82.6	50%	0.496	44%	0.443	S	S	.	.	H	α-helix	trans	-56.3	-30.8	176.6	0	0	0	0	0	112.1	K199	A195-K199 VanDerWaalsContact O-CB 3.25Å; A195-K199 WeakPolarHBondContact O-CB 3.39Å; A195-K199 PolarHBondContact O-N 2.84Å
196	E	49	Very low	50.2	Low	142 Å²	142	76.6 Å²	76.6	66%	0.664	42%	0.416	S	S	*	.	H	α-helix	trans	-76.8	-42.1	177.7	-66	156.4	162.9	0	0	112.2	T194 L198 K199 N200	T194-E196 PolarHBondContact O-N 2.88Å; T194-E196 VanDerWaalsContact O-N 3.12Å; T194-E196 PolarHBondContact OG1-N 2.83Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-K199 PolarHBondContact O-N 2.71Å; E196-N200 WeakPolarHBondContact O-CB 3.41Å; E196-N200 VanDerWaalsContact O-CG 3.25Å; E196-N200 PolarHBondContact O-N 2.9Å; E196-N200 PolarHBondContact O-ND2 2.87Å
197	E	56.5	Low	51.9	Low	74 Å²	74	72.8 Å²	72.8	35%	0.346	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-41.7	172.9	-72.8	-174.7	115.7	0	0	111.6	L193 T194 A201 R586	L193-E197 WeakPolarHBondContact CA-OE2 3.37Å; L193-E197 HydrophobicContact CB-CB 4.16Å; L193-E197 HydrophobicContact CD2-CB 3.7Å; L193-E197 HydrophobicContact CD2-CG 4.47Å; T194-E197 PolarHBondContact N-OE2 3.14Å; T194-E197 VanDerWaalsContact N-OE2 3.11Å; T194-E197 PolarHBondContact O-N 3.36Å; T194-E197 VanDerWaalsContact O-N 3.15Å; T194-E197 PolarHBondContact OG1-N 3.13Å; T194-E197 VanDerWaalsContact OG1-N 3.08Å; E197-A201 WeakPolarHBondContact O-CB 3.47Å; E197-A201 PolarHBondContact O-N 3.02Å; E197-R586 IonicContact OE1-NH1 3.28Å; E197-R586 PolarHBondContact OE1-NH1 3.41Å; E197-R586 IonicContact OE1-NH2 2.74Å; E197-R586 IonicContact OE2-NH1 3.88Å
198	L	54.7	Low	53.3	Low	21 Å²	21	68.7 Å²	68.7	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-43.1	177	-170.9	122	0	0	0	111.1	L193 T194 E196 A201 F202 V581	L193-L198 HydrophobicContact CB-CB 4.21Å; L193-L198 HydrophobicContact CD1-CD1 4.27Å; T194-L198 WeakPolarHBondContact O-CB 3.35Å; T194-L198 PolarHBondContact O-N 2.91Å; E196-L198 VanDerWaalsContact C-N 3.35Å; L198-A201 PolarHBondContact O-N 3.43Å; L198-F202 HydrophobicContact CD2-CD2 3.94Å; L198-F202 HydrophobicContact CD2-CE2 4Å; L198-F202 HydrophobicContact CG-CD2 4.21Å; L198-F202 HydrophobicContact CG-CE2 4.32Å; L198-F202 WeakPolarHBondContact O-CD2 3.27Å; L198-F202 PolarHBondContact O-N 3.2Å; L198-V581 VanDerWaalsContact CD1-O 3.31Å; L198-V581 WeakPolarHBondContact CD1-O 3.35Å
199	K	51.3	Low	54.7	Low	37 Å²	37	66.5 Å²	66.5	16%	0.161	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-52	175.3	-175.6	-142.1	144.5	169.2	0	111.7	A195 E196 A201 F202 D203 E937 F940	A195-K199 VanDerWaalsContact O-CB 3.25Å; A195-K199 WeakPolarHBondContact O-CB 3.39Å; A195-K199 PolarHBondContact O-N 2.84Å; E196-K199 PolarHBondContact O-N 2.71Å; K199-A201 PolarHBondContact O-N 2.97Å; K199-F202 CarbonylContact O-C 3.49Å; K199-F202 WeakPolarHBondContact O-CA 3.21Å; K199-F202 VanDerWaalsContact O-CB 3.31Å; K199-F202 WeakPolarHBondContact O-CB 3.44Å; K199-F202 PolarHBondContact O-N 3.26Å; K199-D203 WeakPolarHBondContact CE-OD2 3.14Å; K199-D203 IonicContact NZ-OD2 2.67Å; K199-D203 PolarHBondContact O-N 2.99Å; K199-E937 WeakPolarHBondContact CD-O 3.46Å; K199-E937 WeakPolarHBondContact CE-O 3.37Å; K199-E937 PolarHBondContact NZ-O 2.97Å; K199-F940 HydrophobicContact CG-CB 4.44Å
200	N	59	Low	55.9	Low	85 Å²	85	63 Å²	63	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-58.1	-38.2	178.8	-69	-15.9	0	0	0	111.4	E196 F202 D203 N204	E196-N200 WeakPolarHBondContact O-CB 3.41Å; E196-N200 VanDerWaalsContact O-CG 3.25Å; E196-N200 PolarHBondContact O-N 2.9Å; E196-N200 PolarHBondContact O-ND2 2.87Å; N200-F202 VanDerWaalsContact C-N 3.28Å; N200-F202 PolarHBondContact O-N 2.96Å; N200-D203 PolarHBondContact O-N 2.85Å; N200-N204 VanDerWaalsContact O-CB 3.26Å; N200-N204 WeakPolarHBondContact O-CB 3.27Å; N200-N204 PolarHBondContact O-N 2.98Å; N200-N204 PolarHBondContact O-OD1 3Å; N200-N204 VanDerWaalsContact O-OD1 3.1Å
201	A	58.7	Low	56.9	Low	19 Å²	19	64.9 Å²	64.9	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-73.8	-14.3	175.3	0	0	0	0	0	114.6	E197 L198 K199 L205 L589 Q593	E197-A201 WeakPolarHBondContact O-CB 3.47Å; E197-A201 PolarHBondContact O-N 3.02Å; L198-A201 PolarHBondContact O-N 3.43Å; K199-A201 PolarHBondContact O-N 2.97Å; A201-L205 PolarHBondContact O-N 3.07Å; A201-L589 HydrophobicContact CB-CD2 3.45Å; A201-L589 VanDerWaalsContact CB-CD2 3.45Å; A201-L589 HydrophobicContact CB-CG 4.28Å; A201-Q593 PolarHBondContact O-NE2 3.01Å
202	F	58.8	Low	57.5	Low	29 Å²	29	59.8 Å²	59.8	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-85.6	-33.8	168.5	-101.6	-74.5	0	0	0	113.5	L198 K199 N200 L205 V552 V581 L589 L592	L198-F202 HydrophobicContact CD2-CD2 3.94Å; L198-F202 HydrophobicContact CD2-CE2 4Å; L198-F202 HydrophobicContact CG-CD2 4.21Å; L198-F202 HydrophobicContact CG-CE2 4.32Å; L198-F202 WeakPolarHBondContact O-CD2 3.27Å; L198-F202 PolarHBondContact O-N 3.2Å; K199-F202 CarbonylContact O-C 3.49Å; K199-F202 WeakPolarHBondContact O-CA 3.21Å; K199-F202 VanDerWaalsContact O-CB 3.31Å; K199-F202 WeakPolarHBondContact O-CB 3.44Å; K199-F202 PolarHBondContact O-N 3.26Å; N200-F202 VanDerWaalsContact C-N 3.28Å; N200-F202 PolarHBondContact O-N 2.96Å; F202-L205 HydrophobicContact CD1-CD2 3.73Å; F202-L205 HydrophobicContact CE1-CD2 3.84Å; F202-L205 WeakPolarHBondContact O-CB 3.48Å; F202-L205 PolarHBondContact O-N 3.07Å; F202-V552 HydrophobicContact CE1-CG2 3.88Å; F202-V552 HydrophobicContact CE2-CG2 4.3Å; F202-V552 HydrophobicContact CZ-CG2 3.38Å; F202-V581 HydrophobicContact CE2-CG1 3.63Å; F202-V581 HydrophobicContact CZ-CG1 3.76Å; F202-L589 HydrophobicContact CD2-CD1 4.3Å; F202-L589 HydrophobicContact CE2-CD1 3.99Å; F202-L589 HydrophobicContact CZ-CD1 4.41Å; F202-L592 HydrophobicContact CE1-CD2 3.67Å; F202-L592 HydrophobicContact CE2-CD2 4.44Å; F202-L592 HydrophobicContact CZ-CD2 3.43Å; F202-L592 VanDerWaalsContact CZ-CD2 3.43Å
203	D	55	Low	58	Low	75 Å²	75	65.9 Å²	65.9	40%	0.401	34%	0.337	S	S	.	.	H	α-helix	trans	-69.5	-47.5	171.1	-68.2	-34.1	0	0	0	109.4	K199 N200 L205 F206	K199-D203 WeakPolarHBondContact CE-OD2 3.14Å; K199-D203 IonicContact NZ-OD2 2.67Å; K199-D203 PolarHBondContact O-N 2.99Å; N200-D203 PolarHBondContact O-N 2.85Å; D203-L205 PolarHBondContact O-N 3.45Å; D203-L205 VanDerWaalsContact O-N 3.14Å; D203-F206 PolarHBondContact O-N 3.37Å
204	N	62.3	Low	58.3	Low	82 Å²	82	67.2 Å²	67.2	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-67.3	-12.1	175.5	-59.8	6.9	0	0	0	113.5	N200 F206	N200-N204 VanDerWaalsContact O-CB 3.26Å; N200-N204 WeakPolarHBondContact O-CB 3.27Å; N200-N204 PolarHBondContact O-N 2.98Å; N200-N204 PolarHBondContact O-OD1 3Å; N200-N204 VanDerWaalsContact O-OD1 3.1Å; N204-F206 PolarHBondContact O-N 3.45Å; N204-F206 VanDerWaalsContact O-N 3.08Å
205	L	64.9	Low	59.2	Low	4 Å²	4	66 Å²	66	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-54.9	-26.9	174.5	179	59	0	0	0	112.4	A201 F202 D203 L209 I548 L592 Q593 V596	A201-L205 PolarHBondContact O-N 3.07Å; F202-L205 HydrophobicContact CD1-CD2 3.73Å; F202-L205 HydrophobicContact CE1-CD2 3.84Å; F202-L205 WeakPolarHBondContact O-CB 3.48Å; F202-L205 PolarHBondContact O-N 3.07Å; D203-L205 PolarHBondContact O-N 3.45Å; D203-L205 VanDerWaalsContact O-N 3.14Å; L205-L209 WeakPolarHBondContact O-CD1 3.14Å; L205-L209 WeakPolarHBondContact O-CG 3.36Å; L205-I548 HydrophobicContact CD2-CD1 4.42Å; L205-L592 HydrophobicContact CD1-CG 4.39Å; L205-L592 HydrophobicContact CD2-CD2 4.45Å; L205-Q593 VanDerWaalsContact CD1-CA 3.47Å; L205-Q593 HydrophobicContact CD1-CB 4.07Å; L205-Q593 HydrophobicContact CD1-CG 3.57Å; L205-V596 HydrophobicContact CD1-CB 4.04Å; L205-V596 HydrophobicContact CD1-CG2 4.1Å; L205-V596 HydrophobicContact CD2-CG2 4.44Å
206	F	65.2	Low	60.8	Low	23 Å²	23	68.1 Å²	68.1	10%	0.101	34%	0.344	C	S	.	.	H	α-helix	trans	-113.7	-18.4	-170.8	-66.9	-74.9	0	0	0	115	D203 N204 D208 L209 P547 I548 V596 R602	D203-F206 PolarHBondContact O-N 3.37Å; N204-F206 PolarHBondContact O-N 3.45Å; N204-F206 VanDerWaalsContact O-N 3.08Å; F206-D208 VanDerWaalsContact C-N 3.3Å; F206-D208 PolarHBondContact O-N 2.83Å; F206-L209 HydrophobicContact CD1-CD1 3.72Å; F206-L209 HydrophobicContact CE1-CD1 4.43Å; F206-L209 HydrophobicContact CG-CD1 4.49Å; F206-L209 WeakPolarHBondContact O-CB 3.45Å; F206-L209 PolarHBondContact O-N 3Å; F206-P547 HydrophobicContact CE1-CG 4.07Å; F206-P547 HydrophobicContact CZ-CG 4.32Å; F206-I548 HydrophobicContact CE2-CD1 4.31Å; F206-I548 HydrophobicContact CZ-CD1 3.77Å; F206-I548 HydrophobicContact CZ-CG1 4.13Å; F206-V596 HydrophobicContact CD1-CG1 4.42Å; F206-V596 HydrophobicContact CE1-CG1 3.96Å; F206-R602 HydrophobicContact CD1-CB 4.38Å; F206-R602 HydrophobicContact CD1-CG 4.45Å; F206-R602 VanDerWaalsContact CD2-NH1 3.31Å
207	E	61.3	Low	62.4	Low	120 Å²	120	64.6 Å²	64.6	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-40.7	176.9	-62.3	-170.3	142.6	0	0	111.2	L209 M210	E207-L209 PolarHBondContact O-N 2.86Å; E207-M210 WeakPolarHBondContact O-CE 3.31Å; E207-M210 WeakPolarHBondContact O-CG 3.34Å
208	D	58.5	Low	63.8	Low	111 Å²	111	66.4 Å²	66.4	59%	0.594	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	5.6	-177.5	-125.2	28	0	0	0	114.2	F206 K597	F206-D208 VanDerWaalsContact C-N 3.3Å; F206-D208 PolarHBondContact O-N 2.83Å; D208-K597 VanDerWaalsContact CG-NZ 3.27Å; D208-K597 WeakPolarHBondContact O-CE 3.44Å; D208-K597 IonicContact OD1-NZ 3.74Å; D208-K597 IonicContact OD2-NZ 3.97Å; D208-K597 PolarHBondContact OD2-NZ 2.56Å
209	L	59.3	Low	65.1	Low	7 Å²	7	66.7 Å²	66.7	4%	0.037	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	2.1	-171.8	-49.4	-168.6	0	0	0	114.4	L205 F206 E207 V596 K597 T600 R602	L205-L209 WeakPolarHBondContact O-CD1 3.14Å; L205-L209 WeakPolarHBondContact O-CG 3.36Å; F206-L209 HydrophobicContact CD1-CD1 3.72Å; F206-L209 HydrophobicContact CE1-CD1 4.43Å; F206-L209 HydrophobicContact CG-CD1 4.49Å; F206-L209 WeakPolarHBondContact O-CB 3.45Å; F206-L209 PolarHBondContact O-N 3Å; E207-L209 PolarHBondContact O-N 2.86Å; L209-V596 HydrophobicContact CD1-CG1 3.63Å; L209-K597 HydrophobicContact CD2-CB 3.52Å; L209-K597 HydrophobicContact CD2-CD 4.23Å; L209-K597 HydrophobicContact CD2-CG 3.59Å; L209-T600 HydrophobicContact CD1-CG2 4.3Å; L209-R602 HydrophobicContact CB-CB 4.4Å
210	M	57.3	Low	66.4	Low	56 Å²	56	66 Å²	66	28%	0.276	34%	0.342	S	S	.	.	S	Bend	trans	-76.6	-25.6	-170.6	-64.4	-169.5	-66.7	0	0	113.6	E207 R602 R603 S607	E207-M210 WeakPolarHBondContact O-CE 3.31Å; E207-M210 WeakPolarHBondContact O-CG 3.34Å; M210-R602 WeakPolarHBondContact CA-O 3.15Å; M210-R602 WeakPolarHBondContact CG-O 3.3Å; M210-R603 HydrophobicContact CB-CG 4.25Å; M210-R603 WeakPolarHBondContact O-CD 3.28Å; M210-R603 WeakPolarHBondContact O-CG 3.35Å; M210-S607 PolarHBondContact SD-OG 2.65Å
211	E	59.5	Low	67.2	Low	121 Å²	121	70.4 Å²	70.4	57%	0.565	36%	0.36	S	S	*	.			trans	-113.5	125.4	-176.2	-64	-168	152.5	0	0	113	V609	E211-V609 HydrophobicContact CG-CG2 4.49Å
212	S	60.1	Low	68.1	Low	17 Å²	17	70.1 Å²	70.1	12%	0.119	36%	0.357	C	S	.	.			trans	-89	137	166.3	93.2	0	0	0	0	110.2	D214 Q233	S212-D214 PolarHBondContact O-N 3.38Å; S212-Q233 VanDerWaalsContact N-NE2 3.15Å; S212-Q233 VanDerWaalsContact OG-CG 3.27Å; S212-Q233 WeakPolarHBondContact OG-CG 3.39Å
213	K	62.9	Low	69.1	Low	212 Å²	212	69.4 Å²	69.4	92%	0.922	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	5.8	172.2	-61.5	-172.9	178	-173.6	0	113.2	G215	K213-G215 VanDerWaalsContact C-N 3.33Å
214	D	64.6	Low	70.4	Confident	48 Å²	48	68.4 Å²	68.4	26%	0.257	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8.2	-171.6	-70.3	-27	0	0	0	112.9	S212 S236 A240 K244	S212-D214 PolarHBondContact O-N 3.38Å; D214-S236 PolarHBondContact O-OG 3.41Å; D214-A240 HydrophobicContact CB-CB 4.41Å; D214-A240 WeakPolarHBondContact OD2-CB 3.31Å; D214-K244 IonicContact OD1-NZ 3.74Å; D214-K244 PolarHBondContact OD1-NZ 3.03Å; D214-K244 IonicContact OD2-NZ 3.75Å; D214-K244 PolarHBondContact OD2-NZ 3.09Å
215	G	75.3	Confident	71.4	Confident	42 Å²	42	66.5 Å²	66.5	43%	0.433	35%	0.348	S	S	.	.			trans	66.6	-168.1	177.9	0	0	0	0	0	113.8	K213 Q233 S236	K213-G215 VanDerWaalsContact C-N 3.33Å; G215-Q233 WeakPolarHBondContact O-CA 3.26Å; G215-S236 WeakPolarHBondContact O-CB 3.47Å
216	E	82.7	Confident	72.3	Confident	105 Å²	105	71.8 Å²	71.8	49%	0.491	38%	0.383	S	S	.	.			trans	-98.6	146.7	174.5	-70.8	-174.8	-149.8	0	0	111.1	K232 Q233	E216-K232 HydrophobicContact CB-CB 3.9Å; E216-K232 HydrophobicContact CG-CB 4.12Å; E216-Q233 HydrophobicContact CG-CB 4.42Å
217	K	82.4	Confident	73.3	Confident	68 Å²	68	71.1 Å²	71.1	30%	0.296	38%	0.38	S	S	.	.			trans	-135	130.1	174.8	-177.7	177.3	176.2	-177.4	0	110.4	K232 C239	K217-K232 PolarHBondContact N-O 3.27Å; K217-K232 WeakPolarHBondContact O-CA 3.27Å; K217-K232 WeakPolarHBondContact O-CB 3.39Å; K217-C239 HydrophobicContact CD-CB 4.29Å; K217-C239 PolarHBondContact NZ-SG 3.25Å; K217-C239 VanDerWaalsContact NZ-SG 3.36Å
218	E	85.6	Confident	74.4	Confident	113 Å²	113	68.7 Å²	68.7	53%	0.528	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-67.8	151.2	172.6	-60.5	-56.3	157.1	0	0	112.3	K232	E218-K232 VanDerWaalsContact CD-NZ 3.27Å; E218-K232 WeakPolarHBondContact OE1-CE 2.98Å; E218-K232 IonicContact OE1-NZ 3.76Å; E218-K232 PolarHBondContact OE1-NZ 3.28Å; E218-K232 WeakPolarHBondContact OE2-CE 3.27Å; E218-K232 IonicContact OE2-NZ 3.3Å; E218-K232 PolarHBondContact OE2-NZ 2.9Å; E218-K232 VanDerWaalsContact OE2-NZ 3.07Å
219	A	81.8	Confident	75.5	Confident	26 Å²	26	66.8 Å²	66.8	22%	0.215	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-70.2	156.6	169.1	0	0	0	0	0	111.2	V223 L227 L235 A293	A219-V223 HydrophobicContact CB-CB 3.93Å; A219-V223 HydrophobicContact CB-CG1 4.36Å; A219-V223 HydrophobicContact CB-CG2 3.93Å; A219-L227 HydrophobicContact CB-CD1 3.91Å; A219-L227 HydrophobicContact CB-CG 4.09Å; A219-L235 HydrophobicContact CB-CD2 4.24Å; A219-A293 HydrophobicContact CB-CB 4.23Å
220	A	79.1	Confident	76.6	Confident	22 Å²	22	66.6 Å²	66.6	18%	0.182	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.8	145.4	166.2	0	0	0	0	0	111.1	S222 V223 T297	A220-S222 PolarHBondContact O-N 3.35Å; A220-V223 PolarHBondContact O-N 3.16Å; A220-T297 HydrophobicContact CB-CG2 4.39Å; A220-T297 PolarHBondContact N-OG1 3.21Å
221	E	75.9	Confident	78	Confident	178 Å²	178	64.2 Å²	64.2	83%	0.832	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-21.7	-177.7	-64.2	179.1	179.5	0	0	114.4	V223 R460	E221-V223 PolarHBondContact O-N 3.31Å; E221-R460 WeakPolarHBondContact O-CD 3.41Å
222	S	77.4	Confident	79.3	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.098	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.1	173.1	53.3	0	0	0	0	114.6	A220 R460	A220-S222 PolarHBondContact O-N 3.35Å; S222-R460 PolarHBondContact O-N 2.99Å; S222-R460 VanDerWaalsContact O-N 3.14Å
223	V	81	Confident	80.6	Confident	14 Å²	14	60.3 Å²	60.3	9%	0.085	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-82.9	113.8	174.9	-177	0	0	0	0	108.4	A219 A220 E221 T225 L289 A293 L296 H458	A219-V223 HydrophobicContact CB-CB 3.93Å; A219-V223 HydrophobicContact CB-CG1 4.36Å; A219-V223 HydrophobicContact CB-CG2 3.93Å; A220-V223 PolarHBondContact O-N 3.16Å; E221-V223 PolarHBondContact O-N 3.31Å; V223-T225 VanDerWaalsContact C-N 3.33Å; V223-T225 WeakPolarHBondContact CG1-O 3.28Å; V223-L289 HydrophobicContact CG1-CD1 4.38Å; V223-A293 HydrophobicContact CG2-CB 4.3Å; V223-L296 HydrophobicContact CG2-CD1 3.49Å; V223-L296 VanDerWaalsContact CG2-CD1 3.49Å; V223-H458 CarbonylContact C-O 3.58Å; V223-H458 WeakPolarHBondContact CA-O 3.4Å
224	A	81.8	Confident	81.8	Confident	54 Å²	54	50.2 Å²	50.2	45%	0.446	29%	0.287	S	S	.	.			trans	-71.2	-30.1	179.8	0	0	0	0	0	112.6	H458 R460	A224-H458 PolarHBondContact N-O 3.33Å; A224-R460 HydrophobicContact CB-CB 4.49Å; A224-R460 HydrophobicContact CB-CG 3.76Å
225	T	83.1	Confident	83	Confident	42 Å²	42	48 Å²	48	26%	0.258	28%	0.275	S	S	.	.	S	Bend	trans	-89.5	122.4	-175.3	-56	0	0	0	0	111.5	V223 L227 L289 H458	V223-T225 VanDerWaalsContact C-N 3.33Å; V223-T225 WeakPolarHBondContact CG1-O 3.28Å; T225-L227 PolarHBondContact O-N 3.2Å; T225-L289 HydrophobicContact CG2-CD2 4.07Å; T225-H458 PolarHBondContact OG1-ND1 2.87Å
226	P	84.1	Confident	83.5	Confident	114 Å²	114	46.8 Å²	46.8	74%	0.74	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-64.2	131.9	176.6	27.1	-34	0	0	0	110.4
227	L	85.6	Confident	83.8	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.052	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-74.6	143	176.8	-65.7	-169.7	0	0	0	111.2	A219 T225 Q231 K232 L235 L289 A293	A219-L227 HydrophobicContact CB-CD1 3.91Å; A219-L227 HydrophobicContact CB-CG 4.09Å; T225-L227 PolarHBondContact O-N 3.2Å; L227-Q231 HydrophobicContact CB-CB 3.97Å; L227-Q231 HydrophobicContact CD1-CB 4.4Å; L227-Q231 HydrophobicContact CD2-CB 4.19Å; L227-Q231 HydrophobicContact CG-CB 4.42Å; L227-K232 HydrophobicContact CB-CG 3.72Å; L227-K232 WeakPolarHBondContact O-CE 3.13Å; L227-L235 HydrophobicContact CD1-CB 4.31Å; L227-L235 HydrophobicContact CD1-CD2 3.73Å; L227-L289 HydrophobicContact CD2-CD1 4.23Å; L227-L289 HydrophobicContact CD2-CD2 3.96Å; L227-L289 HydrophobicContact CD2-CG 3.78Å; L227-A293 HydrophobicContact CD1-CB 4.02Å; L227-A293 HydrophobicContact CD2-CB 4.41Å
228	L	84.5	Confident	84.1	Confident	68 Å²	68	39.6 Å²	39.6	36%	0.356	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-73.4	157.5	170.2	-62.7	167.7	0	0	0	110.7	H230 Q231 K232 L904	L228-H230 VanDerWaalsContact C-N 3.25Å; L228-H230 PolarHBondContact O-N 2.78Å; L228-H230 VanDerWaalsContact O-N 3.13Å; L228-Q231 HydrophobicContact CB-CG 4.29Å; L228-Q231 CarbonylContact O-C 3.6Å; L228-Q231 WeakPolarHBondContact O-CA 3.45Å; L228-Q231 WeakPolarHBondContact O-CB 3.36Å; L228-Q231 PolarHBondContact O-N 2.67Å; L228-K232 PolarHBondContact O-N 2.86Å; L228-L904 HydrophobicContact CD1-CD1 3.7Å; L228-L904 HydrophobicContact CD1-CD2 3.47Å; L228-L904 VanDerWaalsContact CD1-CD2 3.47Å; L228-L904 HydrophobicContact CD1-CG 4.25Å
229	P	81.8	Confident	84.2	Confident	72 Å²	72	34.5 Å²	34.5	47%	0.468	20%	0.203	S	C	.	.	H	α-helix	trans	-52.1	-41.4	-175.6	-29	36.2	0	0	0	113.6	Q231 K232 Q233	P229-Q231 PolarHBondContact O-N 2.95Å; P229-K232 WeakPolarHBondContact O-CB 3.49Å; P229-K232 PolarHBondContact O-N 3.33Å; P229-Q233 WeakPolarHBondContact O-CB 3.46Å; P229-Q233 PolarHBondContact O-N 3.03Å
230	H	82	Confident	84.3	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-33.4	175.5	72.1	-77.2	0	0	0	113.2	L228 Q233 A234 L285 R603 L614	L228-H230 VanDerWaalsContact C-N 3.25Å; L228-H230 PolarHBondContact O-N 2.78Å; L228-H230 VanDerWaalsContact O-N 3.13Å; H230-Q233 PolarHBondContact O-N 2.85Å; H230-A234 VanDerWaalsContact O-CB 3.27Å; H230-A234 WeakPolarHBondContact O-CB 3.39Å; H230-A234 PolarHBondContact O-N 2.58Å; H230-L285 PolarHBondContact NE2-O 2.88Å; H230-R603 PolarHBondContact O-NH1 3.45Å; H230-L614 HydrophobicContact CB-CD1 3.49Å; H230-L614 VanDerWaalsContact CB-CD1 3.49Å; H230-L614 HydrophobicContact CB-CD2 3.73Å; H230-L614 HydrophobicContact CB-CG 3.52Å
231	Q	87.3	Confident	84.5	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-35.8	174.6	-63.6	169.7	-14.9	0	0	110.9	L227 L228 P229 A234 L235 L285	L227-Q231 HydrophobicContact CB-CB 3.97Å; L227-Q231 HydrophobicContact CD1-CB 4.4Å; L227-Q231 HydrophobicContact CD2-CB 4.19Å; L227-Q231 HydrophobicContact CG-CB 4.42Å; L228-Q231 HydrophobicContact CB-CG 4.29Å; L228-Q231 CarbonylContact O-C 3.6Å; L228-Q231 WeakPolarHBondContact O-CA 3.45Å; L228-Q231 WeakPolarHBondContact O-CB 3.36Å; L228-Q231 PolarHBondContact O-N 2.67Å; P229-Q231 PolarHBondContact O-N 2.95Å; Q231-A234 PolarHBondContact O-N 2.99Å; Q231-L235 VanDerWaalsContact O-CB 3.32Å; Q231-L235 WeakPolarHBondContact O-CB 3.45Å; Q231-L235 PolarHBondContact O-N 2.7Å; Q231-L285 PolarHBondContact NE2-O 2.87Å; Q231-L285 VanDerWaalsContact NE2-O 3.14Å
232	K	87.5	Confident	84.9	Confident	39 Å²	39	26.8 Å²	26.8	17%	0.17	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-43.9	171.4	-62.2	-178.5	-171	-171.3	0	112.2	E216 K217 E218 L227 L228 P229 A234 L235 S236	E216-K232 HydrophobicContact CB-CB 3.9Å; E216-K232 HydrophobicContact CG-CB 4.12Å; K217-K232 PolarHBondContact N-O 3.27Å; K217-K232 WeakPolarHBondContact O-CA 3.27Å; K217-K232 WeakPolarHBondContact O-CB 3.39Å; E218-K232 VanDerWaalsContact CD-NZ 3.27Å; E218-K232 WeakPolarHBondContact OE1-CE 2.98Å; E218-K232 IonicContact OE1-NZ 3.76Å; E218-K232 PolarHBondContact OE1-NZ 3.28Å; E218-K232 WeakPolarHBondContact OE2-CE 3.27Å; E218-K232 IonicContact OE2-NZ 3.3Å; E218-K232 PolarHBondContact OE2-NZ 2.9Å; E218-K232 VanDerWaalsContact OE2-NZ 3.07Å; L227-K232 HydrophobicContact CB-CG 3.72Å; L227-K232 WeakPolarHBondContact O-CE 3.13Å; L228-K232 PolarHBondContact O-N 2.86Å; P229-K232 WeakPolarHBondContact O-CB 3.49Å; P229-K232 PolarHBondContact O-N 3.33Å; K232-A234 VanDerWaalsContact C-N 3.32Å; K232-A234 PolarHBondContact O-N 3.43Å; K232-L235 PolarHBondContact O-N 3.22Å; K232-S236 PolarHBondContact O-N 2.85Å
233	Q	85.9	Confident	85	Confident	18 Å²	18	29.4 Å²	29.4	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-40.5	174.1	-174.4	-166.5	40.5	0	0	111.8	S212 G215 E216 P229 H230 S236 W237	S212-Q233 VanDerWaalsContact N-NE2 3.15Å; S212-Q233 VanDerWaalsContact OG-CG 3.27Å; S212-Q233 WeakPolarHBondContact OG-CG 3.39Å; G215-Q233 WeakPolarHBondContact O-CA 3.26Å; E216-Q233 HydrophobicContact CG-CB 4.42Å; P229-Q233 WeakPolarHBondContact O-CB 3.46Å; P229-Q233 PolarHBondContact O-N 3.03Å; H230-Q233 PolarHBondContact O-N 2.85Å; Q233-S236 PolarHBondContact O-N 3.05Å; Q233-W237 WeakPolarHBondContact O-CB 3.3Å; Q233-W237 PolarHBondContact O-N 3.5Å
234	A	87.9	Confident	84.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-45.6	175.8	0	0	0	0	0	111.7	H230 Q231 K232 S236 W237 M238 T290 L601	H230-A234 VanDerWaalsContact O-CB 3.27Å; H230-A234 WeakPolarHBondContact O-CB 3.39Å; H230-A234 PolarHBondContact O-N 2.58Å; Q231-A234 PolarHBondContact O-N 2.99Å; K232-A234 VanDerWaalsContact C-N 3.32Å; K232-A234 PolarHBondContact O-N 3.43Å; A234-S236 VanDerWaalsContact C-N 3.31Å; A234-S236 PolarHBondContact O-N 3.17Å; A234-W237 PolarHBondContact O-N 2.85Å; A234-M238 WeakPolarHBondContact O-CB 3.44Å; A234-M238 VanDerWaalsContact O-CG 3.22Å; A234-M238 WeakPolarHBondContact O-CG 3.14Å; A234-M238 PolarHBondContact O-N 3.03Å; A234-T290 HydrophobicContact CB-CG2 3.58Å; A234-L601 HydrophobicContact CB-CD2 4.13Å
235	L	89.5	Confident	83.5	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-41.5	175.9	179.3	62	0	0	0	111.2	A219 L227 Q231 K232 M238 C239 A293 L294	A219-L235 HydrophobicContact CB-CD2 4.24Å; L227-L235 HydrophobicContact CD1-CB 4.31Å; L227-L235 HydrophobicContact CD1-CD2 3.73Å; Q231-L235 VanDerWaalsContact O-CB 3.32Å; Q231-L235 WeakPolarHBondContact O-CB 3.45Å; Q231-L235 PolarHBondContact O-N 2.7Å; K232-L235 PolarHBondContact O-N 3.22Å; L235-M238 PolarHBondContact O-N 3.45Å; L235-C239 WeakPolarHBondContact O-CB 3.39Å; L235-C239 PolarHBondContact O-N 3.09Å; L235-C239 PolarHBondContact O-SG 3.41Å; L235-A293 HydrophobicContact CD1-CB 4.23Å; L235-A293 HydrophobicContact CD2-CB 4.17Å; L235-L294 HydrophobicContact CD1-CB 3.91Å; L235-L294 HydrophobicContact CD1-CD1 4.15Å
236	S	87.3	Confident	82.5	Confident	17 Å²	17	37.9 Å²	37.9	12%	0.119	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-53	174.9	-163.7	0	0	0	0	111.2	D214 G215 K232 Q233 A234 M238 C239 A240	D214-S236 PolarHBondContact O-OG 3.41Å; G215-S236 WeakPolarHBondContact O-CB 3.47Å; K232-S236 PolarHBondContact O-N 2.85Å; Q233-S236 PolarHBondContact O-N 3.05Å; A234-S236 VanDerWaalsContact C-N 3.31Å; A234-S236 PolarHBondContact O-N 3.17Å; S236-M238 VanDerWaalsContact C-N 3.35Å; S236-M238 PolarHBondContact O-N 2.63Å; S236-C239 PolarHBondContact O-N 2.9Å; S236-A240 VanDerWaalsContact O-CB 3.27Å; S236-A240 WeakPolarHBondContact O-CB 3.48Å; S236-A240 PolarHBondContact O-N 3.45Å
237	W	87.9	Confident	81.7	Confident	22 Å²	22	35.3 Å²	35.3	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-44.3	177	178	81.6	0	0	0	112.3	Q233 A234 A240 R241 I278 L279 W541 L601	Q233-W237 WeakPolarHBondContact O-CB 3.3Å; Q233-W237 PolarHBondContact O-N 3.5Å; A234-W237 PolarHBondContact O-N 2.85Å; W237-A240 PolarHBondContact O-N 3.14Å; W237-R241 HydrophobicContact CD2-CG 4.41Å; W237-R241 VanDerWaalsContact CE2-CD 3.44Å; W237-R241 WeakPolarHBondContact O-CG 3.15Å; W237-R241 PolarHBondContact O-N 2.82Å; W237-I278 WeakPolarHBondContact CH2-O 3.31Å; W237-L279 HydrophobicContact CZ3-CD1 4.39Å; W237-W541 HydrophobicContact CE3-CH2 4.16Å; W237-W541 HydrophobicContact CE3-CZ3 4.28Å; W237-W541 HydrophobicContact CH2-CH2 4.31Å; W237-W541 AromaticContact CH2-CZ3 3.87Å; W237-W541 HydrophobicContact CH2-CZ3 3.87Å; W237-W541 AromaticContact CZ3-CH2 3.77Å; W237-W541 HydrophobicContact CZ3-CH2 3.77Å; W237-W541 AromaticContact CZ3-CZ3 3.46Å; W237-W541 HydrophobicContact CZ3-CZ3 3.46Å; W237-W541 VanDerWaalsContact CZ3-CZ3 3.46Å; W237-L601 HydrophobicContact CB-CD2 4.36Å; W237-L601 HydrophobicContact CD2-CB 3.89Å; W237-L601 HydrophobicContact CD2-CD2 3.93Å; W237-L601 HydrophobicContact CD2-CG 4.44Å; W237-L601 HydrophobicContact CE3-CB 3.76Å; W237-L601 HydrophobicContact CE3-CD2 3.73Å; W237-L601 HydrophobicContact CE3-CG 4.39Å; W237-L601 HydrophobicContact CG-CD2 4.23Å; W237-L601 HydrophobicContact CH2-CB 3.58Å; W237-L601 HydrophobicContact CZ2-CB 3.67Å; W237-L601 HydrophobicContact CZ3-CB 3.61Å; W237-L601 HydrophobicContact CZ3-CD2 4.3Å
238	M	88.9	Confident	80.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-43.9	177.5	-68.3	-179.9	102.3	0	0	112.1	A234 L235 S236 A240 R241 E242 L279 T290 L294 W541 L543	A234-M238 WeakPolarHBondContact O-CB 3.44Å; A234-M238 VanDerWaalsContact O-CG 3.22Å; A234-M238 WeakPolarHBondContact O-CG 3.14Å; A234-M238 PolarHBondContact O-N 3.03Å; L235-M238 PolarHBondContact O-N 3.45Å; S236-M238 VanDerWaalsContact C-N 3.35Å; S236-M238 PolarHBondContact O-N 2.63Å; M238-A240 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 3.24Å; M238-R241 PolarHBondContact O-N 2.65Å; M238-E242 WeakPolarHBondContact O-CG 3.5Å; M238-E242 PolarHBondContact O-N 3.38Å; M238-E242 VanDerWaalsContact O-N 3.14Å; M238-L279 HydrophobicContact CE-CD2 4.3Å; M238-L279 HydrophobicContact SD-CD2 4.16Å; M238-T290 HydrophobicContact SD-CG2 3.83Å; M238-L294 HydrophobicContact CB-CD1 3.69Å; M238-L294 HydrophobicContact CB-CD2 3.73Å; M238-L294 HydrophobicContact CB-CG 4.23Å; M238-L294 HydrophobicContact CE-CD2 3.67Å; M238-L294 HydrophobicContact CG-CD2 4.29Å; M238-L294 HydrophobicContact SD-CD2 3.92Å; M238-W541 HydrophobicContact CB-CH2 3.81Å; M238-W541 HydrophobicContact CB-CZ2 3.67Å; M238-W541 HydrophobicContact CE-CD2 3.58Å; M238-W541 HydrophobicContact CE-CE3 3.58Å; M238-W541 HydrophobicContact CE-CG 4.14Å; M238-W541 HydrophobicContact CE-CH2 4.19Å; M238-W541 HydrophobicContact CE-CZ2 4.17Å; M238-W541 HydrophobicContact CE-CZ3 3.91Å; M238-W541 HydrophobicContact CG-CH2 3.57Å; M238-W541 HydrophobicContact CG-CZ2 3.85Å; M238-W541 HydrophobicContact CG-CZ3 3.99Å; M238-L543 HydrophobicContact CE-CD2 4.44Å
239	C	87.1	Confident	79.9	Confident	7 Å²	7	33.3 Å²	33.3	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-44.8	173.3	-71.5	0	0	0	0	111.1	K217 L235 S236 R241 E242 N243	K217-C239 HydrophobicContact CD-CB 4.29Å; K217-C239 PolarHBondContact NZ-SG 3.25Å; K217-C239 VanDerWaalsContact NZ-SG 3.36Å; L235-C239 WeakPolarHBondContact O-CB 3.39Å; L235-C239 PolarHBondContact O-N 3.09Å; L235-C239 PolarHBondContact O-SG 3.41Å; S236-C239 PolarHBondContact O-N 2.9Å; C239-R241 PolarHBondContact O-N 2.99Å; C239-E242 PolarHBondContact O-N 3.05Å; C239-N243 WeakPolarHBondContact O-CB 3.43Å; C239-N243 PolarHBondContact O-N 2.77Å
240	A	83.8	Confident	79.2	Confident	17 Å²	17	31.2 Å²	31.2	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-43.5	178.2	0	0	0	0	0	111.3	D214 S236 W237 M238 E242 N243 K244	D214-A240 HydrophobicContact CB-CB 4.41Å; D214-A240 WeakPolarHBondContact OD2-CB 3.31Å; S236-A240 VanDerWaalsContact O-CB 3.27Å; S236-A240 WeakPolarHBondContact O-CB 3.48Å; S236-A240 PolarHBondContact O-N 3.45Å; W237-A240 PolarHBondContact O-N 3.14Å; M238-A240 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 3.24Å; A240-E242 VanDerWaalsContact C-N 3.29Å; A240-E242 PolarHBondContact O-N 3.13Å; A240-N243 PolarHBondContact O-N 3.27Å; A240-K244 HydrophobicContact CB-CD 3.98Å; A240-K244 HydrophobicContact CB-CG 4.32Å; A240-K244 WeakPolarHBondContact O-CB 3.47Å; A240-K244 WeakPolarHBondContact O-CG 3.45Å; A240-K244 PolarHBondContact O-N 3.06Å
241	R	84.4	Confident	78.6	Confident	43 Å²	43	32.2 Å²	32.2	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-68.9	-22	176.8	-70.1	-164.8	75.4	87.5	0.1	115	W237 M238 C239 G276 W541 C598	W237-R241 HydrophobicContact CD2-CG 4.41Å; W237-R241 VanDerWaalsContact CE2-CD 3.44Å; W237-R241 WeakPolarHBondContact O-CG 3.15Å; W237-R241 PolarHBondContact O-N 2.82Å; M238-R241 PolarHBondContact O-N 2.65Å; C239-R241 PolarHBondContact O-N 2.99Å; R241-G276 PolarHBondContact NE-O 3.06Å; R241-G276 PolarHBondContact NH2-O 2.67Å; R241-G276 PolarHBondContact O-N 2.87Å; R241-W541 HydrophobicContact CB-CH2 3.95Å; R241-W541 HydrophobicContact CB-CZ2 4.18Å; R241-W541 HydrophobicContact CG-CH2 4.45Å; R241-C598 VanDerWaalsContact CZ-O 3.24Å; R241-C598 PolarHBondContact NH1-O 2.99Å; R241-C598 PolarHBondContact NH2-O 3.24Å
242	E	85.1	Confident	77.9	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-86.5	-24.6	175	-73.4	-167.4	157.9	0	0	113.7	M238 C239 A240 N298 R512 R539 W541	M238-E242 WeakPolarHBondContact O-CG 3.5Å; M238-E242 PolarHBondContact O-N 3.38Å; M238-E242 VanDerWaalsContact O-N 3.14Å; C239-E242 PolarHBondContact O-N 3.05Å; A240-E242 VanDerWaalsContact C-N 3.29Å; A240-E242 PolarHBondContact O-N 3.13Å; E242-N298 WeakPolarHBondContact CB-ND2 3.45Å; E242-N298 PolarHBondContact OE2-ND2 3.05Å; E242-R512 VanDerWaalsContact CD-NH2 3.34Å; E242-R512 IonicContact OE1-CZ 3.99Å; E242-R512 VanDerWaalsContact OE1-CZ 3.26Å; E242-R512 IonicContact OE1-NE 3.42Å; E242-R512 PolarHBondContact OE1-NE 2.92Å; E242-R512 IonicContact OE1-NH2 3.59Å; E242-R512 PolarHBondContact OE1-NH2 3.49Å; E242-R512 VanDerWaalsContact OE1-NH2 3.16Å; E242-R512 IonicContact OE2-CZ 3.44Å; E242-R512 IonicContact OE2-NE 3.76Å; E242-R512 IonicContact OE2-NH2 2.84Å; E242-R512 PolarHBondContact OE2-NH2 3.38Å; E242-R539 HydrophobicContact CG-CG 4.11Å; E242-R539 WeakPolarHBondContact OE1-CD 3.42Å; E242-R539 IonicContact OE2-CZ 3.01Å; E242-R539 VanDerWaalsContact OE2-CZ 3.28Å; E242-R539 IonicContact OE2-NE 2.67Å; E242-R539 IonicContact OE2-NH1 2.83Å; E242-R539 PolarHBondContact OE2-NH1 2.92Å; E242-R539 VanDerWaalsContact OE2-NH1 3.08Å; E242-R539 IonicContact OE2-NH2 2.74Å; E242-W541 HydrophobicContact CG-CZ2 4.11Å; E242-W541 PolarHBondContact OE1-NE1 3.4Å
243	N	77.9	Confident	77.3	Confident	69 Å²	69	40.3 Å²	40.3	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-119.5	-19.1	-168.3	-61.5	-7.7	0	0	0	114.9	C239 A240 D245 N298 R539	C239-N243 WeakPolarHBondContact O-CB 3.43Å; C239-N243 PolarHBondContact O-N 2.77Å; A240-N243 PolarHBondContact O-N 3.27Å; N243-D245 PolarHBondContact O-N 2.87Å; N243-N298 PolarHBondContact ND2-ND2 2.54Å; N243-N298 PolarHBondContact ND2-OD1 3.32Å; N243-N298 PolarHBondContact OD1-ND2 3.27Å; N243-N298 PolarHBondContact OD1-OD1 3.41Å; N243-R539 PolarHBondContact OD1-NH2 3.13Å
244	K	69.8	Low	76.6	Confident	107 Å²	107	46 Å²	46	47%	0.465	23%	0.228	S	C	.	.			trans	-59.6	123.4	178.6	-86	169.8	170.7	167.7	0	109.9	D214 A240 A246	D214-K244 IonicContact OD1-NZ 3.74Å; D214-K244 PolarHBondContact OD1-NZ 3.03Å; D214-K244 IonicContact OD2-NZ 3.75Å; D214-K244 PolarHBondContact OD2-NZ 3.09Å; A240-K244 HydrophobicContact CB-CD 3.98Å; A240-K244 HydrophobicContact CB-CG 4.32Å; A240-K244 WeakPolarHBondContact O-CB 3.47Å; A240-K244 WeakPolarHBondContact O-CG 3.45Å; A240-K244 PolarHBondContact O-N 3.06Å; K244-A246 HydrophobicContact CB-CB 4.36Å; K244-A246 PolarHBondContact O-N 3.32Å
245	D	61.2	Low	75.8	Confident	120 Å²	120	48.8 Å²	48.8	64%	0.642	26%	0.257	S	S	*	.			trans	-77.6	5.9	172.2	-72.8	-58.9	0	0	0	113.7	N243 R273	N243-D245 PolarHBondContact O-N 2.87Å; D245-R273 IonicContact OD1-CZ 3.48Å; D245-R273 IonicContact OD1-NH1 3.59Å; D245-R273 PolarHBondContact OD1-NH1 3.44Å; D245-R273 IonicContact OD1-NH2 2.65Å; D245-R273 PolarHBondContact OD1-NH2 3Å
246	A	63.8	Low	74.7	Confident	62 Å²	62	55.9 Å²	55.9	51%	0.512	30%	0.295	S	S	.	.	S	Bend	trans	-59.4	155.9	178.8	0	0	0	0	0	112.6	K244	K244-A246 HydrophobicContact CB-CB 4.36Å; K244-A246 PolarHBondContact O-N 3.32Å
247	L	65.9	Low	73.6	Confident	60 Å²	60	57.6 Å²	57.6	31%	0.314	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-59.3	149	169.7	-68.4	173.5	0	0	0	110.2	W251 K253 Y258 I270	L247-W251 HydrophobicContact CB-CB 4.1Å; L247-W251 WeakPolarHBondContact CB-O 3.43Å; L247-W251 WeakPolarHBondContact CD1-O 3.5Å; L247-K253 HydrophobicContact CD1-CB 4.44Å; L247-Y258 HydrophobicContact CD1-CD1 3.92Å; L247-Y258 HydrophobicContact CD1-CE1 4.23Å; L247-Y258 HydrophobicContact CD2-CD1 3.62Å; L247-Y258 HydrophobicContact CD2-CE1 3.75Å; L247-Y258 HydrophobicContact CG-CD1 4.46Å; L247-I270 HydrophobicContact CD2-CG2 4.16Å
248	P	67.4	Low	72.7	Confident	10 Å²	10	58 Å²	58	7%	0.065	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62.5	162	178.1	-19.4	33.7	0	0	0	110.8	F250 W251 P271 E272	P248-F250 PolarHBondContact O-N 3.25Å; P248-W251 WeakPolarHBondContact O-CB 3.46Å; P248-W251 PolarHBondContact O-N 3.22Å; P248-W251 VanDerWaalsContact O-N 3.09Å; P248-P271 HydrophobicContact CG-CB 4.08Å; P248-E272 WeakPolarHBondContact CG-O 3.44Å
249	P	64.6	Low	71.6	Confident	25 Å²	25	60.4 Å²	60.4	16%	0.162	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	136.2	176.4	-32.1	38.4	0	0	0	113.1	W251 C598	P249-W251 VanDerWaalsContact C-N 3.26Å; P249-W251 PolarHBondContact O-N 3Å; P249-C598 HydrophobicContact CB-CB 3.65Å; P249-C598 HydrophobicContact CG-CB 3.86Å
250	F	67.5	Low	70.7	Confident	28 Å²	28	60.1 Å²	60.1	12%	0.123	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	1.4	-180	-38.9	-63.8	0	0	0	116.4	P248 N260 S261 L262 T594 L595 C598	P248-F250 PolarHBondContact O-N 3.25Å; F250-N260 CarbonylContact O-C 3.52Å; F250-N260 VanDerWaalsContact O-CA 3.28Å; F250-N260 WeakPolarHBondContact O-CA 3.5Å; F250-S261 PolarHBondContact O-N 3.48Å; F250-L262 HydrophobicContact CB-CD1 4.34Å; F250-L262 HydrophobicContact CB-CG 3.94Å; F250-L262 HydrophobicContact CD1-CD1 3.6Å; F250-L262 HydrophobicContact CD1-CD2 4.05Å; F250-L262 HydrophobicContact CD1-CG 3.52Å; F250-L262 HydrophobicContact CD2-CD1 3.36Å; F250-L262 HydrophobicContact CD2-CG 3.93Å; F250-L262 HydrophobicContact CE1-CD1 3.8Å; F250-L262 HydrophobicContact CE1-CD2 4.45Å; F250-L262 HydrophobicContact CE1-CG 4.15Å; F250-L262 HydrophobicContact CE2-CD1 3.57Å; F250-L262 HydrophobicContact CE2-CG 4.49Å; F250-L262 HydrophobicContact CG-CB 4.39Å; F250-L262 HydrophobicContact CG-CD1 3.42Å; F250-L262 VanDerWaalsContact CG-CD1 3.42Å; F250-L262 HydrophobicContact CG-CD2 4.44Å; F250-L262 HydrophobicContact CG-CG 3.44Å; F250-L262 VanDerWaalsContact CG-CG 3.44Å; F250-L262 HydrophobicContact CZ-CD1 3.82Å; F250-T594 HydrophobicContact CE1-CG2 3.62Å; F250-T594 HydrophobicContact CZ-CG2 4.44Å; F250-T594 WeakPolarHBondContact CZ-O 3.3Å; F250-L595 HydrophobicContact CE2-CD1 3.69Å; F250-L595 HydrophobicContact CZ-CB 4.39Å; F250-L595 HydrophobicContact CZ-CD1 4.32Å; F250-C598 HydrophobicContact CE1-CB 4.46Å; F250-C598 HydrophobicContact CE2-CB 4.28Å; F250-C598 HydrophobicContact CZ-CB 3.67Å; F250-C598 VanDerWaalsContact CZ-SG 3.59Å
251	W	70.2	Confident	69.6	Low	24 Å²	24	61.3 Å²	61.3	9%	0.091	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.9	178.8	-64.5	86.4	0	0	0	112.8	L247 P248 P249 Y259 N260 F265 A267 P271	L247-W251 HydrophobicContact CB-CB 4.1Å; L247-W251 WeakPolarHBondContact CB-O 3.43Å; L247-W251 WeakPolarHBondContact CD1-O 3.5Å; P248-W251 WeakPolarHBondContact O-CB 3.46Å; P248-W251 PolarHBondContact O-N 3.22Å; P248-W251 VanDerWaalsContact O-N 3.09Å; P249-W251 VanDerWaalsContact C-N 3.26Å; P249-W251 PolarHBondContact O-N 3Å; W251-Y259 CarbonylContact C-O 3.54Å; W251-Y259 VanDerWaalsContact CA-O 3.3Å; W251-Y259 WeakPolarHBondContact CA-O 3.39Å; W251-N260 HydrophobicContact CD2-CB 3.99Å; W251-N260 HydrophobicContact CE3-CB 4.06Å; W251-N260 HydrophobicContact CZ2-CB 4.46Å; W251-N260 HydrophobicContact CZ3-CB 4.41Å; W251-N260 PolarHBondContact NE1-ND2 2.9Å; W251-N260 VanDerWaalsContact NE1-ND2 3.12Å; W251-F265 AromaticContact CH2-CD1 3.19Å; W251-F265 HydrophobicContact CH2-CD1 3.19Å; W251-F265 AromaticContact CH2-CE1 3.21Å; W251-F265 HydrophobicContact CH2-CE1 3.21Å; W251-F265 HydrophobicContact CH2-CG 4.37Å; W251-F265 HydrophobicContact CH2-CZ 4.38Å; W251-F265 HydrophobicContact CZ2-CD1 4.15Å; W251-F265 HydrophobicContact CZ2-CE1 4.37Å; W251-F265 AromaticContact CZ3-CD1 3.38Å; W251-F265 HydrophobicContact CZ3-CD1 3.38Å; W251-F265 AromaticContact CZ3-CE1 3.52Å; W251-F265 HydrophobicContact CZ3-CE1 3.52Å; W251-A267 HydrophobicContact CH2-CB 4.48Å; W251-A267 HydrophobicContact CZ3-CB 4.16Å; W251-P271 HydrophobicContact CB-CG 4.42Å; W251-P271 HydrophobicContact CD2-CB 3.86Å; W251-P271 HydrophobicContact CD2-CG 3.34Å; W251-P271 HydrophobicContact CE3-CB 4.14Å; W251-P271 HydrophobicContact CE3-CG 3.22Å; W251-P271 HydrophobicContact CG-CB 4.36Å; W251-P271 HydrophobicContact CG-CG 3.91Å; W251-P271 HydrophobicContact CH2-CB 3.78Å; W251-P271 HydrophobicContact CH2-CG 3.57Å; W251-P271 HydrophobicContact CZ2-CB 3.62Å; W251-P271 HydrophobicContact CZ2-CG 3.79Å; W251-P271 HydrophobicContact CZ3-CB 4.09Å; W251-P271 HydrophobicContact CZ3-CG 3.33Å
252	E	72.6	Confident	68.5	Low	83 Å²	83	60.3 Å²	60.3	39%	0.388	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.2	176.3	-67	167.7	-149.1	0	0	109.9	R254 Y258 Y259 S261	E252-R254 HydrophobicContact CB-CG 4.43Å; E252-R254 IonicContact OE1-NH2 2.71Å; E252-R254 IonicContact OE2-CZ 3.8Å; E252-R254 IonicContact OE2-NE 2.74Å; E252-R254 PolarHBondContact OE2-NE 3.05Å; E252-R254 IonicContact OE2-NH2 3.68Å; E252-R254 PolarHBondContact OE2-NH2 3.13Å; E252-Y258 CarbonylContact O-C 3.53Å; E252-Y258 WeakPolarHBondContact O-CA 3.48Å; E252-Y259 PolarHBondContact N-O 3.22Å; E252-Y259 PolarHBondContact O-N 3.47Å; E252-S261 VanDerWaalsContact CD-OG 3.26Å; E252-S261 PolarHBondContact OE1-OG 3.13Å
253	K	74.4	Confident	67.4	Low	132 Å²	132	60.5 Å²	60.5	57%	0.574	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.2	169.2	-169.6	-179.4	179.5	-175.3	0	109.3	L247 G255 Y258	L247-K253 HydrophobicContact CD1-CB 4.44Å; K253-G255 WeakPolarHBondContact CE-O 3.43Å; K253-Y258 HydrophobicContact CB-CD1 4.07Å; K253-Y258 HydrophobicContact CB-CE1 3.99Å; K253-Y258 HydrophobicContact CD-CE1 3.99Å; K253-Y258 HydrophobicContact CG-CD1 4.2Å; K253-Y258 HydrophobicContact CG-CE1 3.86Å
254	R	70.9	Confident	66.4	Low	136 Å²	136	59.2 Å²	59.2	51%	0.513	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	95.5	177.4	-64.8	-173.8	-178.2	-173.1	1.5	108.9	E252 L257	E252-R254 HydrophobicContact CB-CG 4.43Å; E252-R254 IonicContact OE1-NH2 2.71Å; E252-R254 IonicContact OE2-CZ 3.8Å; E252-R254 IonicContact OE2-NE 2.74Å; E252-R254 PolarHBondContact OE2-NE 3.05Å; E252-R254 IonicContact OE2-NH2 3.68Å; E252-R254 PolarHBondContact OE2-NH2 3.13Å; R254-L257 CarbonylContact C-O 3.59Å; R254-L257 PolarHBondContact N-O 2.81Å; R254-L257 PolarHBondContact O-N 2.67Å
255	G	71.6	Confident	66.1	Low	60 Å²	60	54.4 Å²	54.4	62%	0.619	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	-132.5	-170.3	0	0	0	0	0	111.7	K253 L257	K253-G255 WeakPolarHBondContact CE-O 3.43Å; G255-L257 VanDerWaalsContact C-N 3.26Å; G255-L257 PolarHBondContact O-N 3.16Å
256	D	66.9	Low	66.1	Low	148 Å²	148	48.8 Å²	48.8	79%	0.791	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	3.8	178.7	-61.4	-35.6	0	0	0	114
257	L	64.3	Low	66	Low	53 Å²	53	46.3 Å²	46.3	28%	0.277	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.2	-178.2	-61.4	177.4	0	0	0	111.8	R254 G255 A267 K268	R254-L257 CarbonylContact C-O 3.59Å; R254-L257 PolarHBondContact N-O 2.81Å; R254-L257 PolarHBondContact O-N 2.67Å; G255-L257 VanDerWaalsContact C-N 3.26Å; G255-L257 PolarHBondContact O-N 3.16Å; L257-A267 WeakPolarHBondContact CA-O 3.22Å; L257-K268 HydrophobicContact CD2-CB 4.27Å; L257-K268 HydrophobicContact CD2-CG 3.46Å; L257-K268 VanDerWaalsContact CD2-CG 3.46Å
258	Y	69.4	Low	65.7	Low	32 Å²	32	49.3 Å²	49.3	13%	0.125	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.9	167.8	-59	-82.1	0	0	0	108.6	L247 E252 K253 S266 A267 E269 I270	L247-Y258 HydrophobicContact CD1-CD1 3.92Å; L247-Y258 HydrophobicContact CD1-CE1 4.23Å; L247-Y258 HydrophobicContact CD2-CD1 3.62Å; L247-Y258 HydrophobicContact CD2-CE1 3.75Å; L247-Y258 HydrophobicContact CG-CD1 4.46Å; E252-Y258 CarbonylContact O-C 3.53Å; E252-Y258 WeakPolarHBondContact O-CA 3.48Å; K253-Y258 HydrophobicContact CB-CD1 4.07Å; K253-Y258 HydrophobicContact CB-CE1 3.99Å; K253-Y258 HydrophobicContact CD-CE1 3.99Å; K253-Y258 HydrophobicContact CG-CD1 4.2Å; K253-Y258 HydrophobicContact CG-CE1 3.86Å; Y258-S266 CarbonylContact O-C 3.6Å; Y258-S266 VanDerWaalsContact O-CA 3.22Å; Y258-S266 WeakPolarHBondContact O-CA 3.48Å; Y258-A267 PolarHBondContact N-O 2.84Å; Y258-A267 PolarHBondContact O-N 2.77Å; Y258-E269 VanDerWaalsContact CD2-O 3.26Å; Y258-E269 WeakPolarHBondContact CD2-O 3.4Å; Y258-I270 HydrophobicContact CE1-CG1 4.2Å; Y258-I270 HydrophobicContact CE2-CG1 3.76Å; Y258-I270 WeakPolarHBondContact OH-CG1 3.13Å
259	Y	65.4	Low	65.5	Low	49 Å²	49	54 Å²	54	19%	0.192	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.1	-175.1	178.5	-101	0	0	0	110.7	N68 W251 E252 C264 F265	N68-Y259 WeakPolarHBondContact ND2-CD2 3.32Å; W251-Y259 CarbonylContact C-O 3.54Å; W251-Y259 VanDerWaalsContact CA-O 3.3Å; W251-Y259 WeakPolarHBondContact CA-O 3.39Å; E252-Y259 PolarHBondContact N-O 3.22Å; E252-Y259 PolarHBondContact O-N 3.47Å; Y259-C264 HydrophobicContact CE2-CB 4.42Å; Y259-C264 WeakPolarHBondContact CE2-O 3.37Å; Y259-C264 PolarHBondContact OH-SG 3.06Å; Y259-C264 VanDerWaalsContact OH-SG 3.41Å; Y259-F265 CarbonylContact C-O 3.48Å; Y259-F265 WeakPolarHBondContact CA-O 3.41Å; Y259-F265 WeakPolarHBondContact CD2-O 3.22Å
260	N	67.9	Low	65.7	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.6	172	-169.9	-70.1	0	0	0	111	F250 W251 L262 T263 C264 F265	F250-N260 CarbonylContact O-C 3.52Å; F250-N260 VanDerWaalsContact O-CA 3.28Å; F250-N260 WeakPolarHBondContact O-CA 3.5Å; W251-N260 HydrophobicContact CD2-CB 3.99Å; W251-N260 HydrophobicContact CE3-CB 4.06Å; W251-N260 HydrophobicContact CZ2-CB 4.46Å; W251-N260 HydrophobicContact CZ3-CB 4.41Å; W251-N260 PolarHBondContact NE1-ND2 2.9Å; W251-N260 VanDerWaalsContact NE1-ND2 3.12Å; N260-L262 PolarHBondContact O-N 3.32Å; N260-L262 PolarHBondContact OD1-N 2.79Å; N260-T263 WeakPolarHBondContact CB-OG1 3.49Å; N260-T263 PolarHBondContact OD1-N 2.87Å; N260-T263 VanDerWaalsContact OD1-N 3.08Å; N260-T263 PolarHBondContact OD1-OG1 3.24Å; N260-C264 VanDerWaalsContact O-CA 3.22Å; N260-C264 WeakPolarHBondContact O-CA 3.45Å; N260-C264 PolarHBondContact O-N 3.13Å; N260-F265 HydrophobicContact CB-CB 4.06Å; N260-F265 PolarHBondContact N-O 2.74Å
261	S	59.8	Low	65.7	Low	43 Å²	43	56.7 Å²	56.7	30%	0.301	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-16.5	-174	-60.9	0	0	0	0	115	F250 E252	F250-S261 PolarHBondContact O-N 3.48Å; E252-S261 VanDerWaalsContact CD-OG 3.26Å; E252-S261 PolarHBondContact OE1-OG 3.13Å
262	L	61.9	Low	65.5	Low	22 Å²	22	62.1 Å²	62.1	12%	0.115	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-38.1	173.9	-64.3	-174.9	0	0	0	113.2	F250 N260 F567 N591	F250-L262 HydrophobicContact CB-CD1 4.34Å; F250-L262 HydrophobicContact CB-CG 3.94Å; F250-L262 HydrophobicContact CD1-CD1 3.6Å; F250-L262 HydrophobicContact CD1-CD2 4.05Å; F250-L262 HydrophobicContact CD1-CG 3.52Å; F250-L262 HydrophobicContact CD2-CD1 3.36Å; F250-L262 HydrophobicContact CD2-CG 3.93Å; F250-L262 HydrophobicContact CE1-CD1 3.8Å; F250-L262 HydrophobicContact CE1-CD2 4.45Å; F250-L262 HydrophobicContact CE1-CG 4.15Å; F250-L262 HydrophobicContact CE2-CD1 3.57Å; F250-L262 HydrophobicContact CE2-CG 4.49Å; F250-L262 HydrophobicContact CG-CB 4.39Å; F250-L262 HydrophobicContact CG-CD1 3.42Å; F250-L262 VanDerWaalsContact CG-CD1 3.42Å; F250-L262 HydrophobicContact CG-CD2 4.44Å; F250-L262 HydrophobicContact CG-CG 3.44Å; F250-L262 VanDerWaalsContact CG-CG 3.44Å; F250-L262 HydrophobicContact CZ-CD1 3.82Å; N260-L262 PolarHBondContact O-N 3.32Å; N260-L262 PolarHBondContact OD1-N 2.79Å; L262-F567 HydrophobicContact CB-CZ 4.27Å; L262-F567 HydrophobicContact CD1-CE2 4.17Å; L262-F567 HydrophobicContact CD1-CZ 3.99Å; L262-N591 HydrophobicContact CD2-CB 3.97Å; L262-N591 VanDerWaalsContact CD2-OD1 3.31Å; L262-N591 WeakPolarHBondContact CD2-OD1 3.08Å
263	T	61.1	Low	65.5	Low	7 Å²	7	62.2 Å²	62.2	4%	0.043	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	1.6	-174.1	62.5	0	0	0	0	113.8	N260 F265 P566 F567 W572 V576	N260-T263 WeakPolarHBondContact CB-OG1 3.49Å; N260-T263 PolarHBondContact OD1-N 2.87Å; N260-T263 VanDerWaalsContact OD1-N 3.08Å; N260-T263 PolarHBondContact OD1-OG1 3.24Å; T263-F265 PolarHBondContact O-N 3.01Å; T263-F265 VanDerWaalsContact O-N 3.07Å; T263-F265 WeakPolarHBondContact OG1-CB 3.39Å; T263-P566 HydrophobicContact CG2-CG 3.48Å; T263-P566 VanDerWaalsContact CG2-CG 3.48Å; T263-F567 HydrophobicContact CG2-CE1 4.14Å; T263-F567 HydrophobicContact CG2-CZ 3.86Å; T263-W572 HydrophobicContact CG2-CE3 4.1Å; T263-W572 HydrophobicContact CG2-CZ3 4.23Å; T263-V576 HydrophobicContact CG2-CG2 4.39Å
264	C	56.8	Low	65.6	Low	42 Å²	42	57 Å²	57	28%	0.284	29%	0.291	S	S	.	.			trans	55.9	13.9	-172.6	-62.7	0	0	0	0	114.7	N68 Y259 N260	N68-C264 WeakPolarHBondContact CB-O 3.43Å; N68-C264 PolarHBondContact ND2-O 3.3Å; Y259-C264 HydrophobicContact CE2-CB 4.42Å; Y259-C264 WeakPolarHBondContact CE2-O 3.37Å; Y259-C264 PolarHBondContact OH-SG 3.06Å; Y259-C264 VanDerWaalsContact OH-SG 3.41Å; N260-C264 VanDerWaalsContact O-CA 3.22Å; N260-C264 WeakPolarHBondContact O-CA 3.45Å; N260-C264 PolarHBondContact O-N 3.13Å
265	F	63.8	Low	66.2	Low	5 Å²	5	55 Å²	55	2%	0.022	28%	0.283	C	S	.	.			trans	-71.5	156.1	-174.2	172.4	-83.6	0	0	0	112.9	N68 E71 V93 L94 W251 Y259 N260 T263 A267	N68-F265 VanDerWaalsContact ND2-C 3.29Å; N68-F265 PolarHBondContact ND2-O 3.15Å; E71-F265 HydrophobicContact CG-CD2 4.44Å; E71-F265 WeakPolarHBondContact OE1-CD2 3.46Å; E71-F265 WeakPolarHBondContact OE1-CE2 3.27Å; V93-F265 HydrophobicContact CB-CD2 3.91Å; V93-F265 HydrophobicContact CB-CE2 3.78Å; V93-F265 HydrophobicContact CG2-CD2 3.6Å; V93-F265 HydrophobicContact CG2-CE2 3.87Å; L94-F265 HydrophobicContact CD1-CE1 4.41Å; L94-F265 HydrophobicContact CD1-CZ 3.76Å; L94-F265 HydrophobicContact CG-CE2 4.34Å; L94-F265 HydrophobicContact CG-CZ 3.76Å; W251-F265 AromaticContact CH2-CD1 3.19Å; W251-F265 HydrophobicContact CH2-CD1 3.19Å; W251-F265 AromaticContact CH2-CE1 3.21Å; W251-F265 HydrophobicContact CH2-CE1 3.21Å; W251-F265 HydrophobicContact CH2-CG 4.37Å; W251-F265 HydrophobicContact CH2-CZ 4.38Å; W251-F265 HydrophobicContact CZ2-CD1 4.15Å; W251-F265 HydrophobicContact CZ2-CE1 4.37Å; W251-F265 AromaticContact CZ3-CD1 3.38Å; W251-F265 HydrophobicContact CZ3-CD1 3.38Å; W251-F265 AromaticContact CZ3-CE1 3.52Å; W251-F265 HydrophobicContact CZ3-CE1 3.52Å; Y259-F265 CarbonylContact C-O 3.48Å; Y259-F265 WeakPolarHBondContact CA-O 3.41Å; Y259-F265 WeakPolarHBondContact CD2-O 3.22Å; N260-F265 HydrophobicContact CB-CB 4.06Å; N260-F265 PolarHBondContact N-O 2.74Å; T263-F265 PolarHBondContact O-N 3.01Å; T263-F265 VanDerWaalsContact O-N 3.07Å; T263-F265 WeakPolarHBondContact OG1-CB 3.39Å; F265-A267 HydrophobicContact CE1-CB 3.73Å; F265-A267 HydrophobicContact CZ-CB 4.26Å
266	S	61.7	Low	66.9	Low	3 Å²	3	52.2 Å²	52.2	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.4	163.7	66.3	0	0	0	0	116.2	N68 Y258	N68-S266 VanDerWaalsContact CG-OG 3.32Å; N68-S266 VanDerWaalsContact ND2-CB 3.26Å; N68-S266 WeakPolarHBondContact ND2-CB 3.4Å; N68-S266 PolarHBondContact ND2-N 3.18Å; N68-S266 PolarHBondContact ND2-OG 3.08Å; N68-S266 PolarHBondContact OD1-OG 2.76Å; Y258-S266 CarbonylContact O-C 3.6Å; Y258-S266 VanDerWaalsContact O-CA 3.22Å; Y258-S266 WeakPolarHBondContact O-CA 3.48Å
267	A	61.8	Low	68	Low	9 Å²	9	45.1 Å²	45.1	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.5	169.8	0	0	0	0	0	111.8	L94 W251 L257 Y258 F265 E269	L94-A267 HydrophobicContact CD1-CB 4.28Å; W251-A267 HydrophobicContact CH2-CB 4.48Å; W251-A267 HydrophobicContact CZ3-CB 4.16Å; L257-A267 WeakPolarHBondContact CA-O 3.22Å; Y258-A267 PolarHBondContact N-O 2.84Å; Y258-A267 PolarHBondContact O-N 2.77Å; F265-A267 HydrophobicContact CE1-CB 3.73Å; F265-A267 HydrophobicContact CZ-CB 4.26Å; A267-E269 WeakPolarHBondContact CB-O 3.24Å
268	K	60.6	Low	69.2	Low	124 Å²	124	42.6 Å²	42.6	54%	0.539	20%	0.203	S	C	.	.	S	Bend	trans	-76.8	-26.2	166.9	-71.7	172.8	174	168.7	0	112.7	V66 L257	V66-K268 HydrophobicContact CG2-CD 4.42Å; L257-K268 HydrophobicContact CD2-CB 4.27Å; L257-K268 HydrophobicContact CD2-CG 3.46Å; L257-K268 VanDerWaalsContact CD2-CG 3.46Å
269	E	63.1	Low	70.3	Confident	108 Å²	108	41.1 Å²	41.1	51%	0.505	20%	0.197	S	C	.	.	S	Bend	trans	-103.2	156.6	180	-77.1	157.9	-127	0	0	111.3	R96 Y258 A267 P271	R96-E269 IonicContact CZ-OE1 3.85Å; R96-E269 VanDerWaalsContact CZ-OE1 3.3Å; R96-E269 IonicContact CZ-OE2 2.6Å; R96-E269 IonicContact NH1-OE1 2.79Å; R96-E269 PolarHBondContact NH1-OE1 3.4Å; R96-E269 IonicContact NH1-OE2 3.96Å; R96-E269 IonicContact NH2-OE1 3.62Å; R96-E269 PolarHBondContact NH2-OE1 3.38Å; R96-E269 IonicContact NH2-OE2 3.67Å; R96-E269 PolarHBondContact NH2-OE2 2.82Å; Y258-E269 VanDerWaalsContact CD2-O 3.26Å; Y258-E269 WeakPolarHBondContact CD2-O 3.4Å; A267-E269 WeakPolarHBondContact CB-O 3.24Å; E269-P271 WeakPolarHBondContact O-CD 3.28Å
270	I	67.1	Low	71.3	Confident	96 Å²	96	38.8 Å²	38.8	49%	0.492	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-61.3	126	176.2	-64.1	170	0	0	0	108.5	L247 Y258	L247-I270 HydrophobicContact CD2-CG2 4.16Å; Y258-I270 HydrophobicContact CE1-CG1 4.2Å; Y258-I270 HydrophobicContact CE2-CG1 3.76Å; Y258-I270 WeakPolarHBondContact OH-CG1 3.13Å
271	P	67.8	Low	72.1	Confident	13 Å²	13	38.7 Å²	38.7	8%	0.084	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-62.4	148.2	-178.9	-21.7	32.5	0	0	0	112.8	P248 W251 E269 R273	P248-P271 HydrophobicContact CG-CB 4.08Å; W251-P271 HydrophobicContact CB-CG 4.42Å; W251-P271 HydrophobicContact CD2-CB 3.86Å; W251-P271 HydrophobicContact CD2-CG 3.34Å; W251-P271 HydrophobicContact CE3-CB 4.14Å; W251-P271 HydrophobicContact CE3-CG 3.22Å; W251-P271 HydrophobicContact CG-CB 4.36Å; W251-P271 HydrophobicContact CG-CG 3.91Å; W251-P271 HydrophobicContact CH2-CB 3.78Å; W251-P271 HydrophobicContact CH2-CG 3.57Å; W251-P271 HydrophobicContact CZ2-CB 3.62Å; W251-P271 HydrophobicContact CZ2-CG 3.79Å; W251-P271 HydrophobicContact CZ3-CB 4.09Å; W251-P271 HydrophobicContact CZ3-CG 3.33Å; E269-P271 WeakPolarHBondContact O-CD 3.28Å; P271-R273 PolarHBondContact O-N 3.32Å
272	E	67.3	Low	73	Confident	138 Å²	138	38.4 Å²	38.4	65%	0.645	18%	0.183	S	C	*	.	P	Polyproline II helix	trans	-60.9	131.1	179.5	-168	176.7	179	0	0	111.2	P248 K565	P248-E272 WeakPolarHBondContact CG-O 3.44Å; E272-K565 IonicContact OE2-NZ 2.66Å; E272-K565 PolarHBondContact OE2-NZ 2.79Å
273	R	72.6	Confident	73.6	Confident	86 Å²	86	39.3 Å²	39.3	33%	0.325	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-86.6	124.1	-168.2	-58.6	-174.6	-168.3	162.7	-3.5	112.4	D245 P271 R275	D245-R273 IonicContact OD1-CZ 3.48Å; D245-R273 IonicContact OD1-NH1 3.59Å; D245-R273 PolarHBondContact OD1-NH1 3.44Å; D245-R273 IonicContact OD1-NH2 2.65Å; D245-R273 PolarHBondContact OD1-NH2 3Å; P271-R273 PolarHBondContact O-N 3.32Å; R273-R275 PolarHBondContact O-N 2.98Å
274	V	75.7	Confident	74.2	Confident	22 Å²	22	39.7 Å²	39.7	13%	0.133	19%	0.192	C	C	.	.			trans	-77.6	101.5	170.9	-180	0	0	0	0	109.7	L562 L564	V274-L562 HydrophobicContact CG1-CB 4.45Å; V274-L564 HydrophobicContact CB-CD1 4.37Å; V274-L564 HydrophobicContact CG2-CB 4.09Å; V274-L564 HydrophobicContact CG2-CD1 3.57Å; V274-L564 HydrophobicContact CG2-CG 4.42Å
275	R	83.5	Confident	75.3	Confident	95 Å²	95	37.8 Å²	37.8	36%	0.358	18%	0.179	S	C	.	.			trans	-92.1	115	175.3	-67.7	177.2	171.1	166.9	-1.8	110.4	R273 R539 R540	R273-R275 PolarHBondContact O-N 2.98Å; R275-R539 HydrophobicContact CB-CB 4.48Å; R275-R539 HydrophobicContact CB-CG 3.99Å; R275-R539 WeakPolarHBondContact O-CA 3.35Å; R275-R540 PolarHBondContact O-N 3.47Å
276	G	86.4	Confident	76.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.1	-164	-175.1	0	0	0	0	0	113.6	R241 R540	R241-G276 PolarHBondContact NE-O 3.06Å; R241-G276 PolarHBondContact NH2-O 2.67Å; R241-G276 PolarHBondContact O-N 2.87Å; G276-R540 CarbonylContact C-O 3.56Å; G276-R540 VanDerWaalsContact CA-O 3.32Å; G276-R540 WeakPolarHBondContact CA-O 3.26Å
277	G	89.8	Confident	77.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-155.9	-169.4	0	0	0	0	0	113.7	R540 W541 I542 I599	G277-R540 PolarHBondContact N-O 2.81Å; G277-R540 VanDerWaalsContact N-O 3.13Å; G277-W541 VanDerWaalsContact N-CZ3 3.31Å; G277-W541 WeakPolarHBondContact O-CA 3.48Å; G277-I542 PolarHBondContact O-N 2.93Å; G277-I599 WeakPolarHBondContact CA-O 3.36Å
278	I	90.5	Very high	78.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.2	-178.3	-47	-175.5	0	0	0	109.6	W237 A280 I542 P547 L555 L558 L562 I599 T600 L601	W237-I278 WeakPolarHBondContact CH2-O 3.31Å; I278-A280 HydrophobicContact CG2-CB 4.22Å; I278-I542 CarbonylContact C-O 3.51Å; I278-I542 WeakPolarHBondContact CA-O 3.34Å; I278-I542 HydrophobicContact CG1-CB 4.31Å; I278-I542 HydrophobicContact CG1-CD1 4.33Å; I278-I542 HydrophobicContact CG2-CB 4.26Å; I278-I542 HydrophobicContact CG2-CG2 4.22Å; I278-P547 HydrophobicContact CG2-CB 4.41Å; I278-L555 HydrophobicContact CD1-CD1 4.33Å; I278-L558 HydrophobicContact CD1-CB 4.12Å; I278-L558 HydrophobicContact CD1-CD1 4.22Å; I278-L562 HydrophobicContact CD1-CD1 4.29Å; I278-L562 HydrophobicContact CG1-CD1 3.81Å; I278-I599 HydrophobicContact CD1-CD1 4.25Å; I278-I599 PolarHBondContact N-O 2.9Å; I278-T600 HydrophobicContact CB-CG2 4.25Å; I278-T600 HydrophobicContact CG2-CG2 4.4Å; I278-T600 VanDerWaalsContact O-CA 3.32Å; I278-T600 WeakPolarHBondContact O-CA 3.31Å; I278-L601 PolarHBondContact O-N 3.28Å
279	L	90.9	Very high	80.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	100.6	168.5	-172.4	66.5	0	0	0	108.5	W237 M238 D281 K287 T290 I542 L543 S544 L601	W237-L279 HydrophobicContact CZ3-CD1 4.39Å; M238-L279 HydrophobicContact CE-CD2 4.3Å; M238-L279 HydrophobicContact SD-CD2 4.16Å; L279-D281 WeakPolarHBondContact CD1-OD2 3.45Å; L279-K287 HydrophobicContact CD2-CB 4.23Å; L279-K287 HydrophobicContact CD2-CG 4.07Å; L279-K287 HydrophobicContact CG-CG 4.36Å; L279-T290 HydrophobicContact CD2-CG2 4.41Å; L279-I542 PolarHBondContact N-O 2.99Å; L279-L543 HydrophobicContact CB-CD2 3.84Å; L279-L543 HydrophobicContact CD2-CD2 4.16Å; L279-S544 PolarHBondContact O-N 2.92Å; L279-L601 HydrophobicContact CD1-CB 4.18Å; L279-L601 HydrophobicContact CD1-CD2 3.87Å; L279-L601 HydrophobicContact CD1-CG 4.25Å
280	A	87.2	Confident	81.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.			trans	-105.7	31.7	-170.3	0	0	0	0	0	113.2	I278 S544 P547 T600 L601 R602	I278-A280 HydrophobicContact CG2-CB 4.22Å; A280-S544 VanDerWaalsContact CA-O 3.3Å; A280-S544 WeakPolarHBondContact CA-O 3.36Å; A280-P547 HydrophobicContact CB-CB 4.22Å; A280-P547 HydrophobicContact CB-CG 3.78Å; A280-T600 HydrophobicContact CB-CG2 3.61Å; A280-L601 PolarHBondContact N-O 3.11Å; A280-R602 HydrophobicContact CB-CB 3.97Å; A280-R602 HydrophobicContact CB-CG 4.37Å; A280-R602 WeakPolarHBondContact O-CG 3.45Å
281	D	85.3	Confident	82.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-63.8	150.6	176.4	-65.1	-35	0	0	0	112.1	L279 L285 K287 R603	L279-D281 WeakPolarHBondContact CD1-OD2 3.45Å; D281-L285 HydrophobicContact CB-CB 4.16Å; D281-L285 HydrophobicContact CB-CD1 4Å; D281-K287 HydrophobicContact CB-CD 4.06Å; D281-K287 HydrophobicContact CB-CG 3.85Å; D281-K287 PolarHBondContact O-NZ 2.86Å; D281-R603 WeakPolarHBondContact CA-O 3.36Å; D281-R603 IonicContact OD1-CZ 3.07Å; D281-R603 PolarHBondContact OD1-N 3.28Å; D281-R603 IonicContact OD1-NE 3.99Å; D281-R603 PolarHBondContact OD1-NE 3.11Å; D281-R603 IonicContact OD1-NH2 3.46Å; D281-R603 PolarHBondContact OD1-NH2 2.91Å; D281-R603 IonicContact OD2-CZ 3.74Å; D281-R603 IonicContact OD2-NH2 2.68Å; D281-R603 PolarHBondContact OD2-NH2 2.94Å
282	D	77.9	Confident	83.8	Confident	36 Å²	36	24 Å²	24	19%	0.193	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-53.4	162.6	171	-78.8	0.6	0	0	0	113.5	L285 K287 R603 T604 K605	D282-L285 HydrophobicContact CB-CD1 4.04Å; D282-L285 HydrophobicContact CB-CG 4.33Å; D282-K287 PolarHBondContact O-NZ 3.28Å; D282-R603 PolarHBondContact N-O 3.13Å; D282-T604 VanDerWaalsContact CG-CA 3.49Å; D282-T604 WeakPolarHBondContact OD2-CA 3.42Å; D282-T604 VanDerWaalsContact OD2-CB 3.27Å; D282-T604 WeakPolarHBondContact OD2-CB 3.47Å; D282-K605 HydrophobicContact CB-CG 4.2Å; D282-K605 PolarHBondContact OD2-N 3.14Å
283	M	75.1	Confident	84.9	Confident	41 Å²	41	17.4 Å²	17.4	20%	0.202	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	136.8	172.5	-56	-156.5	87.9	0	0	110.4	E517 K605 Q896 D899 R900	M283-E517 WeakPolarHBondContact CE-OE1 3.39Å; M283-K605 WeakPolarHBondContact O-CE 3.4Å; M283-Q896 HydrophobicContact SD-CG 4.01Å; M283-D899 HydrophobicContact CB-CB 4.44Å; M283-R900 VanDerWaalsContact CE-NH2 3.3Å; M283-R900 PolarHBondContact SD-NH2 2.95Å
284	G	73.4	Confident	85.7	Confident	16 Å²	16	13.3 Å²	13.3	17%	0.165	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-6.8	180	0	0	0	0	0	116.6	G286 L904	G284-G286 VanDerWaalsContact C-N 3.31Å; G284-G286 PolarHBondContact O-N 3.21Å; G284-L904 WeakPolarHBondContact O-CB 3.05Å; G284-L904 VanDerWaalsContact O-CD1 3.27Å; G284-L904 WeakPolarHBondContact O-CD1 3.23Å; G284-L904 WeakPolarHBondContact O-CG 3.35Å
285	L	79.4	Confident	86.3	Confident	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.066	C	C	.	.	S	Bend	trans	-77.8	-6.5	177.4	-70.7	-178.3	0	0	0	115.2	H230 Q231 D281 D282 R603 L614 V615 L904	H230-L285 PolarHBondContact NE2-O 2.88Å; Q231-L285 PolarHBondContact NE2-O 2.87Å; Q231-L285 VanDerWaalsContact NE2-O 3.14Å; D281-L285 HydrophobicContact CB-CB 4.16Å; D281-L285 HydrophobicContact CB-CD1 4Å; D282-L285 HydrophobicContact CB-CD1 4.04Å; D282-L285 HydrophobicContact CB-CG 4.33Å; L285-R603 HydrophobicContact CD1-CB 4.33Å; L285-R603 WeakPolarHBondContact CD1-O 3.4Å; L285-L614 HydrophobicContact CD1-CD2 4.45Å; L285-V615 HydrophobicContact CD2-CG2 3.55Å; L285-L904 WeakPolarHBondContact O-CD1 3.34Å
286	G	83.9	Confident	86.3	Confident	18 Å²	18	7.9 Å²	7.9	19%	0.186	5%	0.049	C	C	.	.			trans	95.8	28.4	172.7	0	0	0	0	0	116.6	G284 T288 L289 T290	G284-G286 VanDerWaalsContact C-N 3.31Å; G284-G286 PolarHBondContact O-N 3.21Å; G286-T288 PolarHBondContact O-N 3.3Å; G286-T288 VanDerWaalsContact O-N 3.15Å; G286-L289 PolarHBondContact O-N 3.2Å; G286-L289 VanDerWaalsContact O-N 3.15Å; G286-T290 PolarHBondContact O-N 2.93Å; G286-T290 PolarHBondContact O-OG1 3.13Å; G286-T290 VanDerWaalsContact O-OG1 3.13Å
287	K	89.8	Confident	86	Confident	15 Å²	15	8.8 Å²	8.8	7%	0.065	6%	0.055	C	C	.	.	H	α-helix	trans	-46.7	-41.9	176.7	-65.3	-171.8	-71.9	-83.7	0	114	L279 D281 D282 T291 L543	L279-K287 HydrophobicContact CD2-CB 4.23Å; L279-K287 HydrophobicContact CD2-CG 4.07Å; L279-K287 HydrophobicContact CG-CG 4.36Å; D281-K287 HydrophobicContact CB-CD 4.06Å; D281-K287 HydrophobicContact CB-CG 3.85Å; D281-K287 PolarHBondContact O-NZ 2.86Å; D282-K287 PolarHBondContact O-NZ 3.28Å; K287-T291 WeakPolarHBondContact O-CB 3.4Å; K287-T291 PolarHBondContact O-N 3.07Å; K287-T291 PolarHBondContact O-OG1 3.22Å; K287-L543 HydrophobicContact CD-CB 4.47Å
288	T	90.2	Very high	85.3	Confident	22 Å²	22	9 Å²	9	14%	0.135	6%	0.056	C	C	.	.	H	α-helix	trans	-61	-55.5	178.1	-48	0	0	0	0	111.3	G286 T290 T291 I292 W451 Q454	G286-T288 PolarHBondContact O-N 3.3Å; G286-T288 VanDerWaalsContact O-N 3.15Å; T288-T290 PolarHBondContact O-N 3.34Å; T288-T291 WeakPolarHBondContact O-CB 3.33Å; T288-T291 PolarHBondContact O-N 3.47Å; T288-I292 HydrophobicContact CG2-CD1 4.23Å; T288-I292 WeakPolarHBondContact O-CG1 3.16Å; T288-I292 PolarHBondContact O-N 3.42Å; T288-W451 HydrophobicContact CG2-CD2 3.85Å; T288-W451 HydrophobicContact CG2-CE3 3.68Å; T288-W451 HydrophobicContact CG2-CH2 3.9Å; T288-W451 HydrophobicContact CG2-CZ2 4.03Å; T288-W451 HydrophobicContact CG2-CZ3 3.71Å; T288-Q454 HydrophobicContact CG2-CB 4.15Å; T288-Q454 HydrophobicContact CG2-CG 4.21Å
289	L	89	Confident	84.1	Confident	12 Å²	12	9.4 Å²	9.4	6%	0.063	6%	0.058	C	C	.	.	H	α-helix	trans	-57.9	-45.4	177	174.8	58.3	0	0	0	112.1	V223 T225 L227 G286 T291 I292 A293 H458	V223-L289 HydrophobicContact CG1-CD1 4.38Å; T225-L289 HydrophobicContact CG2-CD2 4.07Å; L227-L289 HydrophobicContact CD2-CD1 4.23Å; L227-L289 HydrophobicContact CD2-CD2 3.96Å; L227-L289 HydrophobicContact CD2-CG 3.78Å; G286-L289 PolarHBondContact O-N 3.2Å; G286-L289 VanDerWaalsContact O-N 3.15Å; L289-T291 PolarHBondContact O-N 2.89Å; L289-I292 PolarHBondContact O-N 3.29Å; L289-A293 WeakPolarHBondContact O-CB 3.31Å; L289-A293 PolarHBondContact O-N 2.74Å; L289-H458 HydrophobicContact CD1-CB 3.79Å
290	T	90.4	Very high	82.5	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-56.8	-40.2	174.8	-54.3	0	0	0	0	111.8	A234 M238 L279 G286 T288 A293 L294	A234-T290 HydrophobicContact CB-CG2 3.58Å; M238-T290 HydrophobicContact SD-CG2 3.83Å; L279-T290 HydrophobicContact CD2-CG2 4.41Å; G286-T290 PolarHBondContact O-N 2.93Å; G286-T290 PolarHBondContact O-OG1 3.13Å; G286-T290 VanDerWaalsContact O-OG1 3.13Å; T288-T290 PolarHBondContact O-N 3.34Å; T290-A293 PolarHBondContact O-N 3.01Å; T290-L294 WeakPolarHBondContact O-CB 3.35Å; T290-L294 PolarHBondContact O-N 2.83Å
291	T	91.7	Very high	80.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-72.2	-39	179.1	-56.6	0	0	0	0	112.1	K287 T288 L289 L294 I295 W451 V514 L543	K287-T291 WeakPolarHBondContact O-CB 3.4Å; K287-T291 PolarHBondContact O-N 3.07Å; K287-T291 PolarHBondContact O-OG1 3.22Å; T288-T291 WeakPolarHBondContact O-CB 3.33Å; T288-T291 PolarHBondContact O-N 3.47Å; L289-T291 PolarHBondContact O-N 2.89Å; T291-L294 WeakPolarHBondContact O-CB 3.39Å; T291-L294 PolarHBondContact O-N 3.39Å; T291-I295 WeakPolarHBondContact O-CG1 3.38Å; T291-I295 PolarHBondContact O-N 2.84Å; T291-W451 HydrophobicContact CG2-CH2 3.99Å; T291-W451 HydrophobicContact CG2-CZ3 4.43Å; T291-V514 HydrophobicContact CG2-CG1 4.12Å; T291-V514 HydrophobicContact CG2-CG2 4.08Å; T291-L543 HydrophobicContact CG2-CD1 4.49Å; T291-L543 WeakPolarHBondContact OG1-CD1 3.5Å
292	I	90.1	Very high	79.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-49.1	172.1	-67.4	171.1	0	0	0	109.5	T288 L289 L294 I295 L296 W451 Q454 F455	T288-I292 HydrophobicContact CG2-CD1 4.23Å; T288-I292 WeakPolarHBondContact O-CG1 3.16Å; T288-I292 PolarHBondContact O-N 3.42Å; L289-I292 PolarHBondContact O-N 3.29Å; I292-L294 VanDerWaalsContact C-N 3.26Å; I292-L294 PolarHBondContact O-N 3Å; I292-I295 WeakPolarHBondContact O-CB 3.48Å; I292-I295 PolarHBondContact O-N 3.19Å; I292-L296 HydrophobicContact CG2-CD1 3.81Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 2.98Å; I292-L296 VanDerWaalsContact O-N 3.14Å; I292-W451 HydrophobicContact CG1-CZ3 4.11Å; I292-Q454 HydrophobicContact CD1-CB 3.86Å; I292-F455 HydrophobicContact CB-CE1 4.36Å; I292-F455 HydrophobicContact CD1-CD1 4.24Å; I292-F455 HydrophobicContact CD1-CE1 4.38Å; I292-F455 HydrophobicContact CD1-CG 4.32Å; I292-F455 HydrophobicContact CG1-CD1 4.15Å; I292-F455 HydrophobicContact CG1-CE1 3.81Å; I292-F455 HydrophobicContact CG1-CE2 4.44Å; I292-F455 HydrophobicContact CG1-CZ 3.96Å; I292-F455 HydrophobicContact CG2-CD1 4.02Å; I292-F455 HydrophobicContact CG2-CE1 3.95Å
293	A	89.1	Confident	78.2	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.2	-37.8	175.5	0	0	0	0	0	112.3	A219 V223 L227 L235 L289 T290 L296 T297	A219-A293 HydrophobicContact CB-CB 4.23Å; V223-A293 HydrophobicContact CG2-CB 4.3Å; L227-A293 HydrophobicContact CD1-CB 4.02Å; L227-A293 HydrophobicContact CD2-CB 4.41Å; L235-A293 HydrophobicContact CD1-CB 4.23Å; L235-A293 HydrophobicContact CD2-CB 4.17Å; L289-A293 WeakPolarHBondContact O-CB 3.31Å; L289-A293 PolarHBondContact O-N 2.74Å; T290-A293 PolarHBondContact O-N 3.01Å; A293-L296 PolarHBondContact O-N 3.3Å; A293-T297 WeakPolarHBondContact O-CB 3.39Å; A293-T297 PolarHBondContact O-N 3.23Å; A293-T297 PolarHBondContact O-OG1 2.9Å
294	L	89.7	Confident	77.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-32.6	174.9	-178.8	70.6	0	0	0	113.8	L235 M238 T290 T291 I292 N298 R512 W541	L235-L294 HydrophobicContact CD1-CB 3.91Å; L235-L294 HydrophobicContact CD1-CD1 4.15Å; M238-L294 HydrophobicContact CB-CD1 3.69Å; M238-L294 HydrophobicContact CB-CD2 3.73Å; M238-L294 HydrophobicContact CB-CG 4.23Å; M238-L294 HydrophobicContact CE-CD2 3.67Å; M238-L294 HydrophobicContact CG-CD2 4.29Å; M238-L294 HydrophobicContact SD-CD2 3.92Å; T290-L294 WeakPolarHBondContact O-CB 3.35Å; T290-L294 PolarHBondContact O-N 2.83Å; T291-L294 WeakPolarHBondContact O-CB 3.39Å; T291-L294 PolarHBondContact O-N 3.39Å; I292-L294 VanDerWaalsContact C-N 3.26Å; I292-L294 PolarHBondContact O-N 3Å; L294-N298 HydrophobicContact CD1-CB 4.03Å; L294-N298 PolarHBondContact O-N 2.9Å; L294-R512 PolarHBondContact O-NH1 3.21Å; L294-R512 PolarHBondContact O-NH2 2.92Å; L294-W541 HydrophobicContact CD2-CZ2 4.31Å
295	I	88.1	Confident	76.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-49.5	172.6	-67	165.6	0	0	0	109.8	T291 I292 F299 T439 I441 F455 V487 R512	T291-I295 WeakPolarHBondContact O-CG1 3.38Å; T291-I295 PolarHBondContact O-N 2.84Å; I292-I295 WeakPolarHBondContact O-CB 3.48Å; I292-I295 PolarHBondContact O-N 3.19Å; I295-F299 WeakPolarHBondContact O-CD2 3.32Å; I295-T439 HydrophobicContact CD1-CG2 4.12Å; I295-T439 HydrophobicContact CG1-CG2 4.22Å; I295-I441 HydrophobicContact CD1-CD1 4.13Å; I295-F455 HydrophobicContact CD1-CE1 4.33Å; I295-F455 HydrophobicContact CD1-CZ 3.89Å; I295-V487 HydrophobicContact CD1-CG2 4.37Å; I295-V487 HydrophobicContact CG2-CG2 4.02Å; I295-R512 VanDerWaalsContact N-NH1 3.2Å
296	L	83.9	Confident	75.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-75.6	-41.4	-173.1	-53.8	164.5	0	0	0	112	V223 I292 A293 P304 L305 L459	V223-L296 HydrophobicContact CG2-CD1 3.49Å; V223-L296 VanDerWaalsContact CG2-CD1 3.49Å; I292-L296 HydrophobicContact CG2-CD1 3.81Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 2.98Å; I292-L296 VanDerWaalsContact O-N 3.14Å; A293-L296 PolarHBondContact O-N 3.3Å; L296-P304 WeakPolarHBondContact O-CA 3.47Å; L296-P304 WeakPolarHBondContact O-CB 3.3Å; L296-L305 HydrophobicContact CD2-CD1 3.56Å; L296-L459 HydrophobicContact CD1-CD2 3.45Å; L296-L459 VanDerWaalsContact CD1-CD2 3.45Å; L296-L459 HydrophobicContact CD2-CD2 3.92Å; L296-L459 HydrophobicContact CG-CD2 4.33Å
297	T	80.3	Confident	73.3	Confident	20 Å²	20	38.5 Å²	38.5	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-81.2	-26.8	-173.3	-49.5	0	0	0	0	113.6	A220 A293	A220-T297 HydrophobicContact CB-CG2 4.39Å; A220-T297 PolarHBondContact N-OG1 3.21Å; A293-T297 WeakPolarHBondContact O-CB 3.39Å; A293-T297 PolarHBondContact O-N 3.23Å; A293-T297 PolarHBondContact O-OG1 2.9Å
298	N	75	Confident	71	Confident	4 Å²	4	46 Å²	46	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	39.8	-173.9	-160	42.3	0	0	0	113.8	E242 N243 L294 R539	E242-N298 WeakPolarHBondContact CB-ND2 3.45Å; E242-N298 PolarHBondContact OE2-ND2 3.05Å; N243-N298 PolarHBondContact ND2-ND2 2.54Å; N243-N298 PolarHBondContact ND2-OD1 3.32Å; N243-N298 PolarHBondContact OD1-ND2 3.27Å; N243-N298 PolarHBondContact OD1-OD1 3.41Å; L294-N298 HydrophobicContact CD1-CB 4.03Å; L294-N298 PolarHBondContact O-N 2.9Å; N298-R539 PolarHBondContact ND2-NH2 2.89Å; N298-R539 PolarHBondContact O-NH1 2.9Å
299	F	66.6	Low	68.2	Low	8 Å²	8	54.8 Å²	54.8	4%	0.035	28%	0.28	C	S	.	.			trans	-72.1	174.7	179.6	-146.4	-113.8	0	0	0	113	I295 G302 K303 L305 K437 L511	I295-F299 WeakPolarHBondContact O-CD2 3.32Å; F299-G302 PolarHBondContact O-N 3.07Å; F299-K303 CarbonylContact C-O 3.55Å; F299-K303 VanDerWaalsContact C-O 3.23Å; F299-L305 HydrophobicContact CB-CG 4.16Å; F299-L305 HydrophobicContact CD1-CD2 3.44Å; F299-L305 VanDerWaalsContact CD1-CD2 3.44Å; F299-L305 HydrophobicContact CD1-CG 3.91Å; F299-L305 HydrophobicContact CD2-CD2 4.22Å; F299-L305 HydrophobicContact CD2-CG 4.27Å; F299-L305 HydrophobicContact CE1-CD2 3.41Å; F299-L305 VanDerWaalsContact CE1-CD2 3.41Å; F299-L305 HydrophobicContact CE1-CG 4.33Å; F299-L305 HydrophobicContact CE2-CD2 4.21Å; F299-L305 HydrophobicContact CG-CD2 3.85Å; F299-L305 HydrophobicContact CG-CG 3.86Å; F299-L305 HydrophobicContact CZ-CD2 3.82Å; F299-K437 HydrophobicContact CE1-CB 3.97Å; F299-K437 WeakPolarHBondContact CE2-O 3.27Å; F299-K437 HydrophobicContact CZ-CB 4.06Å; F299-K437 WeakPolarHBondContact CZ-O 3.09Å; F299-L511 HydrophobicContact CD2-CD2 4.24Å; F299-L511 HydrophobicContact CE2-CD2 4.12Å; F299-L511 HydrophobicContact CZ-CD2 4.47Å
300	H	56.4	Low	65.4	Low	48 Å²	48	59.4 Å²	59.4	22%	0.222	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-48.7	133.8	-161.6	-170.8	81.3	0	0	0	115.1	G302 K437 L511	H300-G302 VanDerWaalsContact C-N 3.27Å; H300-G302 PolarHBondContact O-N 2.7Å; H300-K437 HydrophobicContact CB-CG 4.49Å; H300-L511 HydrophobicContact CB-CD2 4.01Å
301	K	53.4	Low	62.4	Low	186 Å²	186	66 Å²	66	81%	0.809	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	58.8	25.6	-177.1	-64.6	178.7	-178.6	-175.1	0	115.5	K303	K301-K303 VanDerWaalsContact C-N 3.28Å; K301-K303 PolarHBondContact O-N 3.21Å
302	G	52.1	Low	59.4	Low	56 Å²	56	68.9 Å²	68.9	58%	0.577	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	76.5	14.6	174.2	0	0	0	0	0	114.1	F299 H300	F299-G302 PolarHBondContact O-N 3.07Å; H300-G302 VanDerWaalsContact C-N 3.27Å; H300-G302 PolarHBondContact O-N 2.7Å
303	K	55	Low	57.3	Low	159 Å²	159	74.2 Å²	74.2	69%	0.691	42%	0.416	S	S	*	.			trans	-104.2	135	168.1	-64.8	-172.3	176.8	-171.7	0	108.4	F299 K301	F299-K303 CarbonylContact C-O 3.55Å; F299-K303 VanDerWaalsContact C-O 3.23Å; K301-K303 VanDerWaalsContact C-N 3.28Å; K301-K303 PolarHBondContact O-N 3.21Å
304	P	60.4	Low	54.2	Low	74 Å²	74	83.9 Å²	83.9	48%	0.481	46%	0.458	S	S	.	.			trans	-61	166.2	169.4	28.9	-34.7	0	0	0	110.1	L296	L296-P304 WeakPolarHBondContact O-CA 3.47Å; L296-P304 WeakPolarHBondContact O-CB 3.3Å
305	L	56.8	Low	51.1	Low	19 Å²	19	88.8 Å²	88.8	10%	0.099	49%	0.493	C	S	.	.			trans	-52.5	137.2	175.4	-78	159.3	0	0	0	110.6	L296 F299 V307 P465 D486	L296-L305 HydrophobicContact CD2-CD1 3.56Å; F299-L305 HydrophobicContact CB-CG 4.16Å; F299-L305 HydrophobicContact CD1-CD2 3.44Å; F299-L305 VanDerWaalsContact CD1-CD2 3.44Å; F299-L305 HydrophobicContact CD1-CG 3.91Å; F299-L305 HydrophobicContact CD2-CD2 4.22Å; F299-L305 HydrophobicContact CD2-CG 4.27Å; F299-L305 HydrophobicContact CE1-CD2 3.41Å; F299-L305 VanDerWaalsContact CE1-CD2 3.41Å; F299-L305 HydrophobicContact CE1-CG 4.33Å; F299-L305 HydrophobicContact CE2-CD2 4.21Å; F299-L305 HydrophobicContact CG-CD2 3.85Å; F299-L305 HydrophobicContact CG-CG 3.86Å; F299-L305 HydrophobicContact CZ-CD2 3.82Å; L305-V307 PolarHBondContact O-N 2.93Å; L305-P465 HydrophobicContact CD1-CB 4.43Å; L305-D486 HydrophobicContact CD2-CB 4.39Å; L305-D486 WeakPolarHBondContact CD2-OD1 3.37Å
306	P	46.9	Very low	48.4	Very low	117 Å²	117	94.3 Å²	94.3	76%	0.76	53%	0.529	S	S	*	.			trans	-64.5	111.1	170.2	27.6	-31.8	0	0	0	108.5	E308	P306-E308 PolarHBondContact O-N 3.31Å; P306-E308 VanDerWaalsContact O-N 3.14Å
307	V	45	Very low	45.6	Very low	65 Å²	65	100.6 Å²	100.6	39%	0.394	57%	0.567	S	S	.	*			trans	-74.3	100.5	172	177.5	0	0	0	0	107.8	L305 R309 V463	L305-V307 PolarHBondContact O-N 2.93Å; V307-R309 HydrophobicContact CG1-CG 4.41Å; V307-R309 PolarHBondContact O-N 3.31Å; V307-V463 HydrophobicContact CG1-CB 4.43Å; V307-V463 HydrophobicContact CG1-CG1 4.34Å; V307-V463 HydrophobicContact CG1-CG2 3.69Å; V307-V463 HydrophobicContact CG2-CG1 3.99Å; V307-V463 HydrophobicContact CG2-CG2 4.03Å
308	E	40.1	Very low	42.9	Very low	172 Å²	172	109.4 Å²	109.4	80%	0.804	60%	0.604	S	S	*	*			trans	-66.7	98.8	162.8	-73	-168.5	171.9	0	0	108.2	P306 C310	P306-E308 PolarHBondContact O-N 3.31Å; P306-E308 VanDerWaalsContact O-N 3.14Å; E308-C310 PolarHBondContact O-N 2.95Å; E308-C310 VanDerWaalsContact O-N 3.09Å
309	R	31.9	Very low	40.5	Very low	208 Å²	208	114.1 Å²	114.1	79%	0.785	64%	0.644	S	S	*	*			trans	-62.4	111.6	171.8	-74.6	-178.5	173.6	171.6	-1.8	108.5	V307 V311	V307-R309 HydrophobicContact CG1-CG 4.41Å; V307-R309 PolarHBondContact O-N 3.31Å; R309-V311 PolarHBondContact O-N 2.8Å
310	C	29.6	Very low	38.4	Very low	109 Å²	109	123.5 Å²	123.5	74%	0.736	68%	0.684	S	S	*	*			trans	-63.6	94.3	169.3	-69.7	0	0	0	0	110.4	E308	E308-C310 PolarHBondContact O-N 2.95Å; E308-C310 VanDerWaalsContact O-N 3.09Å
311	V	29	Very low	36.9	Very low	140 Å²	140	128.9 Å²	128.9	85%	0.848	72%	0.715	S	S	*	*			trans	-74.2	127	163.8	-176.5	0	0	0	0	107.8	R309	R309-V311 PolarHBondContact O-N 2.8Å
312	G	28.9	Very low	35.5	Very low	59 Å²	59	129.3 Å²	129.3	61%	0.608	72%	0.717	S	S	*	*			trans	-66.1	172	-176.7	0	0	0	0	0	114.8
313	P	44.3	Very low	34.1	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	72%	0.723	S	S	*	*			trans	-86.7	178.5	-160.9	35.3	-37.8	0	0	0	115.6
314	F	25.8	Very low	32.7	Very low	202 Å²	202	132 Å²	132	89%	0.886	73%	0.733	S	S	*	*			trans	82.1	133.7	-175.7	-56.5	-80	0	0	0	114.1
315	S	22.8	Very low	30.9	Very low	103 Å²	103	138 Å²	138	72%	0.72	75%	0.754	S	S	*	*			cis	-146.2	172.5	23.3	63.5	0	0	0	0	113
316	P	33.1	Very low	29.3	Very low	118 Å²	118	140 Å²	140	77%	0.766	78%	0.779	S	S	*	*			trans	-100.2	124.5	-164.7	35.7	-30.4	0	0	0	114.9
317	T	23.4	Very low	28.1	Very low	132 Å²	132	143.9 Å²	143.9	81%	0.81	79%	0.785	S	S	*	*			trans	-133.9	97.2	168.4	46.6	0	0	0	0	114.1
318	K	23.8	Very low	27	Very low	205 Å²	205	150.1 Å²	150.1	89%	0.891	81%	0.806	S	S	*	*			trans	34.7	114.6	139.5	-67.3	174.8	178.8	172.7	0	118.4
319	A	25.5	Very low	26.2	Very low	104 Å²	104	148.2 Å²	148.2	86%	0.86	80%	0.801	S	S	*	*			trans	-54.1	135.7	161.9	0	0	0	0	0	112.8
320	K	23.4	Very low	25.7	Very low	204 Å²	204	147.3 Å²	147.3	89%	0.887	81%	0.806	S	S	*	*			trans	-141.2	116.8	153.8	-83	-169.6	175.6	177.9	0	109.7
321	N	23.7	Very low	25.4	Very low	162 Å²	162	145.2 Å²	145.2	87%	0.866	80%	0.803	S	S	*	*			trans	-64.8	136.6	160.9	-72.9	-20.5	0	0	0	109.4
322	K	24.1	Very low	25.1	Very low	195 Å²	195	143.9 Å²	143.9	85%	0.848	80%	0.799	S	S	*	*			trans	-165.5	122.6	136.6	-112.9	178.7	-179.3	-169.4	0	113.4
323	S	22.5	Very low	24.8	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	81%	0.806	S	S	*	*			trans	35	131.8	139.2	53.5	0	0	0	0	121.6
324	L	26	Very low	23.8	Very low	171 Å²	171	146.1 Å²	146.1	90%	0.895	81%	0.808	S	S	*	*			trans	-56.9	137	156.1	-72.5	76.4	0	0	0	111.7
325	E	23.5	Very low	23.7	Very low	199 Å²	199	140.6 Å²	140.6	93%	0.93	80%	0.8	S	S	*	*			trans	-166.4	146.8	146.3	-103.2	165.2	-157	0	0	104.8
326	G	21.7	Very low	23.7	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	80%	0.8	S	S	*	*			cis	140.3	88.3	6.9	0	0	0	0	0	110.2
327	F	22.1	Very low	23.2	Very low	199 Å²	199	142.3 Å²	142.3	87%	0.873	80%	0.799	S	S	*	*			trans	57.2	118.7	166.4	-73.4	-96.7	0	0	0	120.2
328	K	22.6	Very low	23.2	Very low	195 Å²	195	141.1 Å²	141.1	85%	0.848	80%	0.796	S	S	*	*				-177.6	122.6	99.4	-102.2	177.6	179.8	175.8	0	115.8
329	L	22.3	Very low	23.1	Very low	133 Å²	133	136.6 Å²	136.6	70%	0.696	80%	0.797	S	S	*	*			trans	16.5	131.1	133.8	-73.4	150.6	0	0	0	122.9
330	Q	21.9	Very low	23	Very low	188 Å²	188	134.9 Å²	134.9	88%	0.879	79%	0.789	S	S	*	*			trans	80.5	146	131.8	-79.5	175.4	-10.1	0	0	122.7
331	G	23.2	Very low	22.9	Very low	66 Å²	66	134 Å²	134	68%	0.68	79%	0.788	S	S	*	*			trans	111.4	71.3	177.5	0	0	0	0	0	112.4
332	S	22.4	Very low	22.9	Very low	111 Å²	111	131 Å²	131	78%	0.776	78%	0.78	S	S	*	*				70.1	149	63	88.1	0	0	0	0	115
333	S	22.6	Very low	22.8	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	77%	0.773	S	S	*	*			trans	72.6	106.9	-176.9	80.5	0	0	0	0	113.9
334	S	22.7	Very low	22.8	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	78%	0.78	S	S	*	*				82.2	141.7	63.1	73	0	0	0	0	112.9
335	A	23.6	Very low	22.5	Very low	86 Å²	86	127.1 Å²	127.1	71%	0.711	77%	0.77	S	S	*	*			cis	-175.1	-163.1	-11.7	0	0	0	0	0	107.4
336	V	22.9	Very low	22.5	Very low	117 Å²	117	122.9 Å²	122.9	71%	0.709	76%	0.763	S	S	*	*			trans	82.4	85.5	154.6	-167.9	0	0	0	0	117.2
337	N	23.8	Very low	22.5	Very low	141 Å²	141	124.9 Å²	124.9	75%	0.754	77%	0.773	S	S	*	*				69.1	163.3	113.4	-58.9	-6.6	0	0	0	123.4
338	S	23.3	Very low	22.7	Very low	107 Å²	107	121.7 Å²	121.7	75%	0.748	77%	0.77	S	S	*	*			trans	69.8	103.4	163.9	33	0	0	0	0	114.9
339	A	22.2	Very low	23.6	Very low	110 Å²	110	117.5 Å²	117.5	91%	0.909	76%	0.762	S	S	*	*			cis	70.6	143.3	49.7	0	0	0	0	0	113.2
340	G	22.9	Very low	23.6	Very low	68 Å²	68	120.5 Å²	120.5	70%	0.701	77%	0.77	S	S	*	*			trans	128.8	78.6	-177.3	0	0	0	0	0	112.2
341	E	21.9	Very low	23.9	Very low	185 Å²	185	119.5 Å²	119.5	86%	0.864	77%	0.765	S	S	*	*				32	121.2	126.4	-67.8	168.6	169.9	0	0	118.3
342	S	22.1	Very low	23.9	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	78%	0.777	S	S	*	*				112.7	170.4	53	81	0	0	0	0	109.9
343	S	22.6	Very low	24.1	Very low	100 Å²	100	125.1 Å²	125.1	70%	0.699	78%	0.775	S	S	*	*			trans	74.4	86.5	168.9	70.5	0	0	0	0	118.9
344	H	22.2	Very low	24.2	Very low	183 Å²	183	126.9 Å²	126.9	85%	0.847	78%	0.775	S	S	*	*				68.8	143.7	108.3	-88.8	-82.3	0	0	0	123.7
345	C	20.1	Very low	24.3	Very low	101 Å²	101	128.8 Å²	128.8	68%	0.682	78%	0.776	S	S	*	*			trans	85.9	82.7	146.4	-74.7	0	0	0	0	120.4
346	S	23.4	Very low	24.4	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	77%	0.774	S	S	*	*				40.4	114.9	110	64.5	0	0	0	0	119.8
347	A	21.7	Very low	24.5	Very low	102 Å²	102	127.2 Å²	127.2	84%	0.843	78%	0.776	S	S	*	*			trans	-154.1	127.2	137.5	0	0	0	0	0	110.9
348	T	25.7	Very low	24.5	Very low	133 Å²	133	128.6 Å²	128.6	82%	0.816	78%	0.783	S	S	*	*			trans	-88.8	-170.6	152.5	57.5	0	0	0	0	107.6
349	P	42.8	Very low	24.5	Very low	106 Å²	106	127.1 Å²	127.1	69%	0.688	79%	0.785	S	S	*	*			cis	-126.1	-178.8	-19.3	32	-12.8	0	0	0	112
350	K	22.1	Very low	24.6	Very low	196 Å²	196	127.8 Å²	127.8	85%	0.852	78%	0.777	S	S	*	*				179.3	159	114.9	-98.2	179.4	179.6	-171.5	0	113.2
351	E	27.3	Very low	24.7	Very low	168 Å²	168	131.1 Å²	131.1	79%	0.785	78%	0.778	S	S	*	*			trans	-72.9	162.7	178.3	-58.8	146.4	135.9	0	0	111.3
352	D	22.9	Very low	24.7	Very low	172 Å²	172	130.6 Å²	130.6	92%	0.92	78%	0.776	S	S	*	*			trans	-147.9	148	130.5	-99.8	-37.1	0	0	0	110.2
353	V	27	Very low	25	Very low	122 Å²	122	134.6 Å²	134.6	74%	0.739	78%	0.783	S	S	*	*			trans	-96.4	166.8	-175.3	174.8	0	0	0	0	109.2
354	I	26.2	Very low	24.9	Very low	144 Å²	144	137.9 Å²	137.9	74%	0.738	79%	0.793	S	S	*	*			trans	163.2	133.4	131.9	-82.9	158	0	0	0	112.7
355	D	24.5	Very low	25.1	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	79%	0.788	S	S	*	*			trans	59.6	157.7	157.7	-68.2	-8.1	0	0	0	123
356	A	25.2	Very low	25.7	Very low	81 Å²	81	136.7 Å²	136.7	67%	0.669	79%	0.787	S	S	*	*			cis	-178	163.8	-30.9	0	0	0	0	0	108.9
357	A	24.8	Very low	25.7	Very low	90 Å²	90	138.1 Å²	138.1	74%	0.744	78%	0.782	S	S	*	*			trans	62.8	112	165.7	0	0	0	0	0	116.8
358	D	23.6	Very low	25.7	Very low	169 Å²	169	141.4 Å²	141.4	90%	0.904	78%	0.777	S	S	*	*				75.4	127.7	72.8	-82.5	-30.9	0	0	0	114.6
359	G	24	Very low	25.5	Very low	77 Å²	77	140.2 Å²	140.2	79%	0.794	77%	0.774	S	S	*	*			trans	161.2	65.3	-179	0	0	0	0	0	113.7
360	V	24.1	Very low	24.5	Very low	124 Å²	124	142.5 Å²	142.5	75%	0.752	79%	0.786	S	S	*	*			trans	-79.2	140.1	175.5	-169.3	0	0	0	0	109.8
361	L	24.5	Very low	24.4	Very low	137 Å²	137	136.4 Å²	136.4	72%	0.717	78%	0.779	S	S	*	*				161	137.1	121.9	-83.1	170.1	0	0	0	114.9
362	E	23	Very low	24.2	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	78%	0.782	S	S	*	*			trans	86	143.8	139.7	-77.6	168.3	-162.8	0	0	123.6
363	E	28	Very low	24.1	Very low	183 Å²	183	136.2 Å²	136.2	86%	0.855	77%	0.77	S	S	*	*			trans	-95.8	156	-176.1	-51.1	173.4	129.6	0	0	109
364	D	21.1	Very low	23.8	Very low	170 Å²	170	137.4 Å²	137.4	91%	0.909	77%	0.765	S	S	*	*			trans	-168.2	122.9	142.7	-108.6	-17.9	0	0	0	113
365	E	25.9	Very low	23.7	Very low	156 Å²	156	139.1 Å²	139.1	73%	0.729	77%	0.769	S	S	*	*			trans	-80.7	-175.5	144.7	-92.4	-115.2	179.5	0	0	107.7
366	P	31.9	Very low	23.5	Very low	103 Å²	103	140 Å²	140	67%	0.669	77%	0.766	S	S	*	*			cis	-140.1	179.5	4.5	26.2	0.3	0	0	0	116.3
367	Q	23.2	Very low	23.6	Very low	141 Å²	141	141.6 Å²	141.6	66%	0.659	77%	0.769	S	S	*	*			trans	35.1	130.6	140.1	-63.8	-174	35.6	0	0	124.9
368	K	22.8	Very low	23.5	Very low	170 Å²	170	141.8 Å²	141.8	74%	0.739	76%	0.762	S	S	*	*				84.1	120.7	128.8	-80.2	173.2	-176	151.7	0	123.2
369	S	21.4	Very low	23.4	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	76%	0.757	S	S	*	*				91.1	132.2	125.1	78.8	0	0	0	0	121.4
370	T	21.3	Very low	23.3	Very low	153 Å²	153	149.9 Å²	149.9	94%	0.939	76%	0.761	S	S	*	*			trans	-173.5	162.2	134.4	22	0	0	0	0	107.9
371	G	20.6	Very low	23.1	Very low	69 Å²	69	153.6 Å²	153.6	71%	0.711	77%	0.767	S	S	*	*			trans	-167.1	177.8	175.1	0	0	0	0	0	112
372	K	21.8	Very low	23.3	Very low	194 Å²	194	152 Å²	152	84%	0.843	77%	0.765	S	S	*	*			trans	-175.4	138	159.1	-105.7	170.7	-175.7	180	0	113.1
373	E	21.8	Very low	23.3	Very low	141 Å²	141	148.6 Å²	148.6	66%	0.659	76%	0.76	S	S	*	*			trans	57.8	138.8	141.6	-64.5	-165.9	152.3	0	0	121
374	K	21.3	Very low	23	Very low	148 Å²	148	147.7 Å²	147.7	64%	0.643	75%	0.753	S	S	*	*			cis	-175.5	165.6	19.8	-124.5	165.3	-170.6	149.5	0	111.9
375	H	23.7	Very low	23.1	Very low	179 Å²	179	147.1 Å²	147.1	83%	0.829	75%	0.745	S	S	*	*			trans	78.4	156.3	163.4	-73	-69.7	0	0	0	122
376	K	18.8	Very low	22.9	Very low	172 Å²	172	143.5 Å²	143.5	75%	0.748	75%	0.749	S	S	*	*			trans	-145.5	165.8	-151.3	-142.6	-169.2	-174.8	169.8	0	106.7	T378	K376-T378 HydrophobicContact CD-CG2 4.23Å
377	P	28.6	Very low	22.4	Very low	113 Å²	113	146.6 Å²	146.6	73%	0.734	76%	0.76	S	S	*	*				-154.8	130.1	73.9	36.9	-15	0	0	0	118
378	T	21.6	Very low	22.4	Very low	95 Å²	95	146.2 Å²	146.2	58%	0.583	77%	0.766	S	S	*	*			trans	49.7	142.7	134.2	65.8	0	0	0	0	121.9	K376	K376-T378 HydrophobicContact CD-CG2 4.23Å
379	K	23	Very low	22.4	Very low	185 Å²	185	145.5 Å²	145.5	80%	0.804	77%	0.77	S	S	*	*			cis	-144.5	132.1	37.3	-69.6	172.6	178.5	171.9	0	111.7
380	R	20.8	Very low	22.5	Very low	231 Å²	231	148.2 Å²	148.2	87%	0.872	78%	0.775	S	S	*	*				57.8	110.6	116.7	-60.3	-178.5	172.5	179.2	-2.9	115.7
381	K	21	Very low	22.6	Very low	202 Å²	202	149.5 Å²	149.5	88%	0.878	77%	0.77	S	S	*	*				64.6	149.6	63.5	-84.5	-158.8	173.3	-168.8	0	114.6
382	P	28.7	Very low	22.9	Very low	104 Å²	104	153.8 Å²	153.8	68%	0.675	78%	0.777	S	S	*	*			cis	-145.6	178	-21.2	41	-21.7	0	0	0	116.8
383	S	21.7	Very low	23.1	Very low	102 Å²	102	153.3 Å²	153.3	71%	0.713	78%	0.783	S	S	*	*			trans	8.2	140.2	147.6	63.9	0	0	0	0	122.6
384	K	22.1	Very low	23.2	Very low	164 Å²	164	150.3 Å²	150.3	71%	0.713	79%	0.789	S	S	*	*				-171.5	161.8	104.2	-112.7	178.7	173.4	-79.4	0	114.5
385	E	22.7	Very low	23.2	Very low	158 Å²	158	153.4 Å²	153.4	74%	0.738	80%	0.803	S	S	*	*			trans	-15.6	146.5	163.5	-61.9	128.3	-163.1	0	0	119.6
386	G	21.8	Very low	23.1	Very low	80 Å²	80	149.4 Å²	149.4	83%	0.825	80%	0.801	S	S	*	*			trans	-179.1	83.5	170.3	0	0	0	0	0	113.9
387	L	22.3	Very low	23.4	Very low	169 Å²	169	146.4 Å²	146.4	89%	0.885	81%	0.809	S	S	*	*			trans	-67.4	141.8	159.3	178.6	86.7	0	0	0	108.9
388	V	22.7	Very low	23.3	Very low	132 Å²	132	145.4 Å²	145.4	80%	0.8	81%	0.809	S	S	*	*			trans	-177	136.3	143.2	142.7	0	0	0	0	110.1
389	L	23.6	Very low	23.4	Very low	155 Å²	155	149.2 Å²	149.2	81%	0.812	83%	0.826	S	S	*	*			trans	-74.1	150	167.7	-72.2	136.4	0	0	0	110.6
390	L	23.3	Very low	23.3	Very low	167 Å²	167	145.8 Å²	145.8	87%	0.874	83%	0.825	S	S	*	*			trans	-153.4	156.6	139.2	-135.7	78.4	0	0	0	111.4
391	E	23.4	Very low	23.3	Very low	179 Å²	179	140.3 Å²	140.3	84%	0.836	82%	0.821	S	S	*	*			trans	-93	-175.9	-158.7	-61.7	163.3	127.6	0	0	114.3
392	D	27.1	Very low	23.3	Very low	159 Å²	159	136.8 Å²	136.8	85%	0.85	82%	0.816	S	S	*	*			trans	-35.8	149.7	170.8	-68.4	-52.4	0	0	0	116.7
393	L	24.3	Very low	23	Very low	185 Å²	185	140.9 Å²	140.9	97%	0.969	83%	0.829	S	S	*	*			trans	-170.5	129.7	134.9	-102.7	167.6	0	0	0	109.5
394	G	25.3	Very low	23	Very low	77 Å²	77	141.4 Å²	141.4	79%	0.794	83%	0.832	S	S	*	*			trans	168.7	2.4	176.5	0	0	0	0	0	120.6	A396	G394-A396 PolarHBondContact O-N 3Å
395	F	21.4	Very low	23	Very low	214 Å²	214	142.4 Å²	142.4	94%	0.939	84%	0.84	S	S	*	*			trans	-85.3	96	174	-178.4	-92	0	0	0	111.2
396	A	22.1	Very low	22.9	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	85%	0.846	S	S	*	*			trans	176.2	105	151.3	0	0	0	0	0	112.7	G394	G394-A396 PolarHBondContact O-N 3Å
397	A	24.5	Very low	22.8	Very low	110 Å²	110	147.4 Å²	147.4	91%	0.909	85%	0.848	S	S	*	*			trans	-160.5	64.3	160.5	0	0	0	0	0	111.3
398	A	25.8	Very low	23.6	Very low	91 Å²	91	144.4 Å²	144.4	75%	0.752	84%	0.838	S	S	*	*			trans	-103.2	159	155.8	0	0	0	0	0	108.6
399	L	23.7	Very low	23.5	Very low	176 Å²	176	148.4 Å²	148.4	92%	0.921	85%	0.845	S	S	*	*			trans	82.6	83.3	179.8	-49.8	171.5	0	0	0	116.4
400	S	21.3	Very low	23.5	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	85%	0.847	S	S	*	*				-155.6	129.9	129.7	43.8	0	0	0	0	111.5
401	C	21.6	Very low	23.3	Very low	117 Å²	117	151.5 Å²	151.5	79%	0.791	85%	0.845	S	S	*	*			trans	52.4	141.3	145.2	-65.2	0	0	0	0	121.6
402	T	21	Very low	23.2	Very low	128 Å²	128	151.6 Å²	151.6	79%	0.785	84%	0.843	S	S	*	*			cis	-165.5	153.5	-21.5	5.3	0	0	0	0	106.3
403	M	22.5	Very low	22.9	Very low	190 Å²	190	148.6 Å²	148.6	94%	0.936	84%	0.84	S	S	*	*			trans	-64.1	139	167.4	-73.9	-74.4	154.4	0	0	110.7
404	S	21.4	Very low	22.8	Very low	113 Å²	113	144.2 Å²	144.2	79%	0.79	83%	0.831	S	S	*	*			trans	-144	124.2	153.5	56.4	0	0	0	0	110.5
405	E	21.3	Very low	22.6	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	83%	0.825	S	S	*	*			trans	-79.9	143.1	171.9	-58.3	179.4	121.1	0	0	109.6
406	T	19.9	Very low	22.5	Very low	141 Å²	141	145 Å²	145	87%	0.865	81%	0.814	S	S	*	*			trans	-162.6	126.1	145.3	4.8	0	0	0	0	112.4
407	K	20	Very low	22.4	Very low	202 Å²	202	147.1 Å²	147.1	88%	0.878	82%	0.822	S	S	*	*			trans	-150.8	166.5	166.1	-90.1	-174	-179.1	172.7	0	106.5
408	P	39.5	Very low	22.2	Very low	105 Å²	105	151.2 Å²	151.2	68%	0.682	82%	0.819	S	S	*	*			cis	-133	-175.8	-41.1	38.2	-23.7	0	0	0	110.2
409	K	20	Very low	22	Very low	216 Å²	216	154 Å²	154	94%	0.939	82%	0.82	S	S	*	*			trans	-157.3	146.3	143.4	-111.8	148.1	-168.5	173.7	0	114.8
410	K	23.4	Very low	21.8	Very low	198 Å²	198	155.7 Å²	155.7	86%	0.861	82%	0.82	S	S	*	*			trans	-94	163.4	-172.3	-58.4	166.1	173.5	175.8	0	112
411	K	20.9	Very low	21.8	Very low	190 Å²	190	158.9 Å²	158.9	83%	0.826	82%	0.823	S	S	*	*			trans	177.1	145.9	136.6	-98.3	161.1	-176.3	-176.9	0	109
412	K	20.5	Very low	21.8	Very low	180 Å²	180	159.1 Å²	159.1	78%	0.783	83%	0.826	S	S	*	*			cis	-170.3	151.1	-10.7	-137.8	-174.2	-173.4	-168.6	0	110.4
413	A	21.3	Very low	21.9	Very low	96 Å²	96	158.9 Å²	158.9	79%	0.793	82%	0.824	S	S	*	*			trans	61.5	170	146.6	0	0	0	0	0	119.6
414	A	20.9	Very low	21.8	Very low	94 Å²	94	159 Å²	159	78%	0.777	82%	0.822	S	S	*	*			cis	-179.4	161.6	-35.4	0	0	0	0	0	107.4
415	E	21.3	Very low	22.2	Very low	143 Å²	143	159.8 Å²	159.8	67%	0.668	82%	0.822	S	S	*	*			cis	-158.4	176.6	-5.4	-135.7	-158.1	145.5	0	0	110.4
416	K	19.9	Very low	22.2	Very low	165 Å²	165	156.3 Å²	156.3	72%	0.717	82%	0.818	S	S	*	*			trans	38.2	130.2	151	-73.5	171.3	-178.5	125.3	0	122.5
417	C	20	Very low	22.5	Very low	138 Å²	138	155.9 Å²	155.9	93%	0.932	82%	0.815	S	S	*	*				-153.1	172.3	107	-147.1	0	0	0	0	113
418	K	20.9	Very low	22.5	Very low	195 Å²	195	151.7 Å²	151.7	85%	0.848	81%	0.811	S	S	*	*			trans	-99.4	166.6	-161	-76.2	180	174.8	179	0	116.2
419	L	20	Very low	21.9	Very low	150 Å²	150	155.7 Å²	155.7	79%	0.785	82%	0.821	S	S	*	*			trans	-39.3	149	173.7	-75.6	67.3	0	0	0	117.3
420	K	21.1	Very low	22.2	Very low	212 Å²	212	150.8 Å²	150.8	92%	0.922	81%	0.814	S	S	*	*				-134.6	146.8	123.9	-80.8	-170	176.3	179.3	0	110.1
421	Q	21.2	Very low	22.6	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	82%	0.815	S	S	*	*			trans	-89.4	144.7	175.8	-78.5	170.6	-62.1	0	0	111.7
422	S	20.9	Very low	23.3	Very low	122 Å²	122	146.6 Å²	146.6	85%	0.853	82%	0.815	S	S	*	*			trans	-153.3	143.3	135.1	52	0	0	0	0	108.9
423	V	22.3	Very low	24.2	Very low	122 Å²	122	143.7 Å²	143.7	74%	0.739	81%	0.808	S	S	*	*			trans	-91.7	135.2	-171.3	170.4	0	0	0	0	110.3
424	E	21	Very low	25.6	Very low	193 Å²	193	144 Å²	144	90%	0.902	80%	0.796	S	S	*	*			trans	-163.5	159.2	132.4	-112.3	169.3	-153.5	0	0	111.9
425	V	29.8	Very low	27.3	Very low	130 Å²	130	142.4 Å²	142.4	79%	0.788	78%	0.779	S	S	*	*			trans	-101.2	117.3	-157.2	175.3	0	0	0	0	112.2
426	S	22.2	Very low	29.2	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	75%	0.749	S	S	*	*			trans	-143.9	103.3	158.4	62.9	0	0	0	0	109.8	S428	S426-S428 PolarHBondContact O-N 2.64Å; S426-S428 VanDerWaalsContact O-N 3.14Å
427	T	24.3	Very low	31.7	Very low	133 Å²	133	133.8 Å²	133.8	82%	0.816	74%	0.74	S	S	*	*			trans	-66.2	111.1	173.3	42.7	0	0	0	0	109.8	E429	T427-E429 PolarHBondContact O-N 2.72Å
428	S	21.9	Very low	34.7	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-61.8	121.8	174.4	53.5	0	0	0	0	111.1	S426 S430	S426-S428 PolarHBondContact O-N 2.64Å; S426-S428 VanDerWaalsContact O-N 3.14Å; S428-S430 PolarHBondContact O-N 3.08Å
429	E	25.3	Very low	38.1	Very low	189 Å²	189	118 Å²	118	88%	0.883	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-62.1	126.5	171.9	-66.1	-176.3	138.9	0	0	110.4	T427 T431	T427-E429 PolarHBondContact O-N 2.72Å; E429-T431 PolarHBondContact O-N 3.05Å
430	S	26.7	Very low	41.6	Very low	114 Å²	114	110.8 Å²	110.8	80%	0.797	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-76.6	121.6	176	52.9	0	0	0	0	110.9	S428 D432	S428-S430 PolarHBondContact O-N 3.08Å; S430-D432 PolarHBondContact O-N 3.04Å
431	T	32.3	Very low	45.2	Very low	143 Å²	143	100.7 Å²	100.7	88%	0.877	57%	0.574	S	S	*	*	S	Bend	trans	-77.6	67.4	-172.8	54.8	0	0	0	0	113.8	E429	E429-T431 PolarHBondContact O-N 3.05Å
432	D	34.5	Very low	48.6	Very low	157 Å²	157	92.2 Å²	92.2	84%	0.84	53%	0.534	S	S	*	.			trans	-149	13.4	-179.5	-128.5	-7.3	0	0	0	117.3	S430	S430-D432 PolarHBondContact O-N 3.04Å
433	D	40.4	Very low	51.9	Low	119 Å²	119	86.4 Å²	86.4	64%	0.636	49%	0.494	S	S	*	.			trans	-115.6	90.2	172.8	-117.3	-27.5	0	0	0	111.5	S435	D433-S435 VanDerWaalsContact C-N 3.25Å; D433-S435 PolarHBondContact O-N 2.78Å
434	L	51.5	Low	54.7	Low	103 Å²	103	81.8 Å²	81.8	54%	0.539	47%	0.466	S	S	.	.			trans	-69.6	82.3	169.4	-74.3	170.8	0	0	0	110	A436	L434-A436 PolarHBondContact O-N 3.01Å
435	S	54.7	Low	57.2	Low	60 Å²	60	76.3 Å²	76.3	42%	0.42	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-65.3	89	169.6	165.4	0	0	0	0	110.2	D433	D433-S435 VanDerWaalsContact C-N 3.25Å; D433-S435 PolarHBondContact O-N 2.78Å
436	A	61.4	Low	58.9	Low	3 Å²	3	72.6 Å²	72.6	3%	0.025	42%	0.423	C	S	.	.			trans	-68.1	139.1	179.4	0	0	0	0	0	111.2	L434 A438 I508 N509 L511	L434-A436 PolarHBondContact O-N 3.01Å; A436-A438 HydrophobicContact CB-CB 4.24Å; A436-A438 PolarHBondContact O-N 3.12Å; A436-I508 HydrophobicContact CB-CG2 3.6Å; A436-N509 PolarHBondContact N-O 2.9Å; A436-L511 PolarHBondContact O-N 3.05Å
437	K	72.6	Confident	61.4	Low	124 Å²	124	68 Å²	68	54%	0.539	39%	0.39	S	S	.	.			trans	-72.9	-18.4	168.6	-65	176.9	-176	171.1	0	111.9	F299 H300 L511	F299-K437 HydrophobicContact CE1-CB 3.97Å; F299-K437 WeakPolarHBondContact CE2-O 3.27Å; F299-K437 HydrophobicContact CZ-CB 4.06Å; F299-K437 WeakPolarHBondContact CZ-O 3.09Å; H300-K437 HydrophobicContact CB-CG 4.49Å; K437-L511 VanDerWaalsContact O-CB 3.31Å; K437-L511 WeakPolarHBondContact O-CB 3.43Å; K437-L511 VanDerWaalsContact O-CD2 3.26Å; K437-L511 WeakPolarHBondContact O-CD2 3.42Å
438	A	84.1	Confident	63.9	Low	0 Å²	0	62 Å²	62	0%	0	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-59.3	144.5	-172.4	0	0	0	0	0	114.6	A436 Q485 D486 W510 L511	A436-A438 HydrophobicContact CB-CB 4.24Å; A436-A438 PolarHBondContact O-N 3.12Å; A438-Q485 WeakPolarHBondContact CA-O 3.33Å; A438-Q485 WeakPolarHBondContact CB-O 3.3Å; A438-D486 WeakPolarHBondContact CA-O 3.5Å; A438-W510 HydrophobicContact CB-CE3 3.7Å; A438-W510 HydrophobicContact CB-CZ3 3.57Å; A438-L511 PolarHBondContact O-N 2.89Å; A438-L511 VanDerWaalsContact O-N 3.14Å
439	T	91.3	Very high	66.2	Low	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.2	165	-63.4	0	0	0	0	110.3	I295 I441 D486 V487 V488 R512 V514	I295-T439 HydrophobicContact CD1-CG2 4.12Å; I295-T439 HydrophobicContact CG1-CG2 4.22Å; T439-I441 HydrophobicContact CG2-CG1 4.25Å; T439-D486 PolarHBondContact N-O 2.99Å; T439-V487 CarbonylContact O-C 3.56Å; T439-V487 WeakPolarHBondContact O-CA 3.46Å; T439-V488 PolarHBondContact O-N 3.48Å; T439-R512 CarbonylContact C-O 3.54Å; T439-R512 WeakPolarHBondContact CA-O 3.48Å; T439-R512 HydrophobicContact CG2-CB 4.01Å; T439-R512 HydrophobicContact CG2-CG 4.2Å; T439-V514 HydrophobicContact CG2-CG2 4.2Å
440	L	94.4	Very high	68.8	Low	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.9	171.8	179.6	65.9	0	0	0	110.2	V442 V488 T490 L505 W510 R512 V513 V514 L535	L440-V442 HydrophobicContact CD2-CG2 4.3Å; L440-V442 HydrophobicContact CG-CG2 4.19Å; L440-V488 CarbonylContact C-O 3.52Å; L440-V488 WeakPolarHBondContact CA-O 3.46Å; L440-V488 HydrophobicContact CD1-CB 4.11Å; L440-V488 HydrophobicContact CD1-CG1 3.95Å; L440-T490 HydrophobicContact CD1-CG2 3.83Å; L440-L505 HydrophobicContact CD1-CD2 4.34Å; L440-W510 HydrophobicContact CB-CD2 3.72Å; L440-W510 HydrophobicContact CB-CE3 3.73Å; L440-W510 HydrophobicContact CB-CG 4.19Å; L440-W510 HydrophobicContact CB-CH2 4.41Å; L440-W510 HydrophobicContact CB-CZ2 4.39Å; L440-W510 HydrophobicContact CB-CZ3 4.08Å; L440-W510 HydrophobicContact CD1-CH2 4.21Å; L440-W510 HydrophobicContact CD1-CZ2 4.22Å; L440-W510 HydrophobicContact CD2-CD2 4.31Å; L440-W510 HydrophobicContact CD2-CZ2 4.14Å; L440-W510 HydrophobicContact CG-CZ2 4.5Å; L440-R512 PolarHBondContact N-O 3.34Å; L440-V513 HydrophobicContact CB-CG2 4.22Å; L440-V513 HydrophobicContact CD2-CG2 4.35Å; L440-V513 CarbonylContact O-C 3.38Å; L440-V513 WeakPolarHBondContact O-CA 3.45Å; L440-V514 PolarHBondContact O-N 3.45Å; L440-L535 HydrophobicContact CD2-CD1 4.02Å; L440-L535 HydrophobicContact CD2-CD2 4.06Å
441	I	95.5	Very high	71.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.1	173.2	-55.1	178.7	0	0	0	108.1	I295 T439 W451 F455 V487 V488 I489 T490 V514	I295-I441 HydrophobicContact CD1-CD1 4.13Å; T439-I441 HydrophobicContact CG2-CG1 4.25Å; I441-W451 HydrophobicContact CD1-CD2 4.46Å; I441-W451 HydrophobicContact CD1-CE3 3.79Å; I441-W451 HydrophobicContact CD1-CH2 4.38Å; I441-W451 HydrophobicContact CD1-CZ3 3.75Å; I441-W451 HydrophobicContact CG2-CD2 4.16Å; I441-W451 HydrophobicContact CG2-CE3 4.46Å; I441-W451 HydrophobicContact CG2-CH2 4.47Å; I441-W451 HydrophobicContact CG2-CZ2 4.17Å; I441-F455 HydrophobicContact CD1-CE2 4.05Å; I441-F455 HydrophobicContact CD1-CZ 4.09Å; I441-V487 HydrophobicContact CD1-CG1 3.74Å; I441-V487 HydrophobicContact CG1-CG1 4.17Å; I441-V488 PolarHBondContact N-O 2.84Å; I441-I489 HydrophobicContact CB-CG1 4.45Å; I441-I489 HydrophobicContact CB-CG2 4.36Å; I441-I489 HydrophobicContact CD1-CG1 4.48Å; I441-I489 HydrophobicContact CG2-CG2 4.47Å; I441-T490 PolarHBondContact O-N 3.16Å; I441-V514 HydrophobicContact CG1-CB 4.39Å
442	V	94.3	Very high	74.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.4	175	-170.7	0	0	0	0	108	L440 T490 Y492 L495 V514 L515 D516	L440-V442 HydrophobicContact CD2-CG2 4.3Å; L440-V442 HydrophobicContact CG-CG2 4.19Å; V442-T490 WeakPolarHBondContact CA-O 3.37Å; V442-T490 HydrophobicContact CB-CG2 4.42Å; V442-T490 HydrophobicContact CG1-CG2 4.4Å; V442-T490 HydrophobicContact CG2-CG2 3.9Å; V442-Y492 HydrophobicContact CB-CE1 4.46Å; V442-Y492 HydrophobicContact CG1-CD1 3.6Å; V442-Y492 HydrophobicContact CG1-CD2 4.22Å; V442-Y492 HydrophobicContact CG1-CE1 3.73Å; V442-Y492 HydrophobicContact CG1-CE2 4.34Å; V442-Y492 HydrophobicContact CG1-CG 3.86Å; V442-L495 HydrophobicContact CG1-CD2 4.04Å; V442-L495 HydrophobicContact CG2-CD2 4.24Å; V442-V514 PolarHBondContact N-O 2.9Å; V442-L515 HydrophobicContact CB-CD2 3.79Å; V442-L515 HydrophobicContact CG1-CD2 4.46Å; V442-L515 HydrophobicContact CG2-CD2 3.97Å; V442-D516 PolarHBondContact O-N 3.25Å
443	C	89.6	Confident	76.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	167.7	-177.9	70.7	0	0	0	0	112.5	T490 T491 Y492 D516	C443-T490 PolarHBondContact N-O 3.46Å; C443-T491 VanDerWaalsContact O-CA 3.27Å; C443-T491 WeakPolarHBondContact O-CA 3.22Å; C443-Y492 WeakPolarHBondContact O-CD2 3.48Å; C443-Y492 PolarHBondContact O-N 3.39Å; C443-D516 HydrophobicContact CB-CB 3.8Å
444	P	80.3	Confident	78.3	Confident	25 Å²	25	29.8 Å²	29.8	16%	0.162	16%	0.164	C	C	.	.			trans	-61	148	164.8	-22.1	35.6	0	0	0	110.9	S446 V447 Y492 E517	P444-S446 VanDerWaalsContact CB-OG 3.31Å; P444-S446 WeakPolarHBondContact CB-OG 3.34Å; P444-S446 PolarHBondContact O-N 2.63Å; P444-S446 VanDerWaalsContact O-N 3.11Å; P444-V447 HydrophobicContact CB-CG2 4.32Å; P444-V447 HydrophobicContact CG-CG2 4.39Å; P444-V447 PolarHBondContact O-N 3.37Å; P444-Y492 HydrophobicContact CG-CE2 4.39Å; P444-E517 HydrophobicContact CG-CB 3.93Å; P444-E517 HydrophobicContact CG-CG 4.22Å
445	L	73.1	Confident	79.9	Confident	78 Å²	78	25.2 Å²	25.2	41%	0.408	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-54.7	-32.8	177.8	176.1	60	0	0	0	112.4	V447 L448 Y471 T491	L445-V447 VanDerWaalsContact C-N 3.31Å; L445-V447 PolarHBondContact O-N 3.28Å; L445-L448 HydrophobicContact CD1-CD2 3.98Å; L445-L448 VanDerWaalsContact O-CB 3.28Å; L445-L448 WeakPolarHBondContact O-CB 3.48Å; L445-L448 PolarHBondContact O-N 2.81Å; L445-Y471 HydrophobicContact CD1-CD2 4.5Å; L445-Y471 HydrophobicContact CD1-CE1 4.46Å; L445-Y471 HydrophobicContact CD1-CE2 3.64Å; L445-Y471 WeakPolarHBondContact CD1-OH 3.35Å; L445-T491 HydrophobicContact CB-CG2 4.22Å; L445-T491 HydrophobicContact CD1-CG2 4.17Å
446	S	65.8	Low	81.3	Confident	53 Å²	53	29.8 Å²	29.8	37%	0.371	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-66.5	-21.3	179.1	40.3	0	0	0	0	116	P444	P444-S446 VanDerWaalsContact CB-OG 3.31Å; P444-S446 WeakPolarHBondContact CB-OG 3.34Å; P444-S446 PolarHBondContact O-N 2.63Å; P444-S446 VanDerWaalsContact O-N 3.11Å
447	V	74.6	Confident	82.2	Confident	15 Å²	15	35.1 Å²	35.1	9%	0.091	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-107.8	-1.2	-178.2	-164	0	0	0	0	110.8	P444 L445 S449 N450 W451	P444-V447 HydrophobicContact CB-CG2 4.32Å; P444-V447 HydrophobicContact CG-CG2 4.39Å; P444-V447 PolarHBondContact O-N 3.37Å; L445-V447 VanDerWaalsContact C-N 3.31Å; L445-V447 PolarHBondContact O-N 3.28Å; V447-S449 PolarHBondContact O-N 3.5Å; V447-N450 HydrophobicContact CG1-CB 4.1Å; V447-N450 WeakPolarHBondContact O-CB 3.13Å; V447-N450 PolarHBondContact O-N 2.85Å; V447-N450 VanDerWaalsContact O-N 3.13Å; V447-W451 PolarHBondContact O-N 3.13Å
448	L	78.2	Confident	82.7	Confident	6 Å²	6	30.4 Å²	30.4	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-45.2	-171.2	-169.4	65.7	0	0	0	113.5	L445 L469 Y471 I489 T491	L445-L448 HydrophobicContact CD1-CD2 3.98Å; L445-L448 VanDerWaalsContact O-CB 3.28Å; L445-L448 WeakPolarHBondContact O-CB 3.48Å; L445-L448 PolarHBondContact O-N 2.81Å; L448-L469 HydrophobicContact CD1-CD1 3.71Å; L448-L469 HydrophobicContact CD2-CD1 4.01Å; L448-L469 HydrophobicContact CG-CD1 3.84Å; L448-Y471 HydrophobicContact CD2-CD2 4.03Å; L448-Y471 HydrophobicContact CD2-CE2 4.49Å; L448-Y471 HydrophobicContact CD2-CG 4.1Å; L448-I489 HydrophobicContact CD1-CG2 3.65Å; L448-T491 HydrophobicContact CD1-CG2 4.03Å; L448-T491 HydrophobicContact CD2-CG2 3.86Å; L448-T491 HydrophobicContact CG-CG2 4.42Å
449	S	70.6	Confident	82.7	Confident	23 Å²	23	31.3 Å²	31.3	16%	0.161	16%	0.164	C	C	.	.	H	α-helix	trans	-68.6	-41.4	171.6	32.4	0	0	0	0	112.2	V447 W451 L452 D453 Q842	V447-S449 PolarHBondContact O-N 3.5Å; S449-W451 PolarHBondContact O-N 3.04Å; S449-W451 VanDerWaalsContact O-N 3.13Å; S449-L452 CarbonylContact O-C 3.59Å; S449-L452 WeakPolarHBondContact O-CA 3.38Å; S449-L452 WeakPolarHBondContact O-CB 3.19Å; S449-L452 PolarHBondContact O-N 2.77Å; S449-D453 PolarHBondContact O-N 2.74Å; S449-Q842 PolarHBondContact OG-NE2 3.29Å; S449-Q842 VanDerWaalsContact OG-NE2 3.16Å
450	N	79.4	Confident	81.9	Confident	23 Å²	23	36.8 Å²	36.8	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-56.1	-35.6	179.7	175.5	91.4	0	0	0	111.5	V447 Q454	V447-N450 HydrophobicContact CG1-CB 4.1Å; V447-N450 WeakPolarHBondContact O-CB 3.13Å; V447-N450 PolarHBondContact O-N 2.85Å; V447-N450 VanDerWaalsContact O-N 3.13Å; N450-Q454 WeakPolarHBondContact O-CB 3.4Å; N450-Q454 WeakPolarHBondContact O-CG 3.48Å; N450-Q454 PolarHBondContact O-N 2.87Å
451	W	86.4	Confident	80.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-43.9	171.5	-84.3	97.1	0	0	0	113.5	T288 T291 I292 I441 V447 S449 Q454 F455 I489 D516 L543	T288-W451 HydrophobicContact CG2-CD2 3.85Å; T288-W451 HydrophobicContact CG2-CE3 3.68Å; T288-W451 HydrophobicContact CG2-CH2 3.9Å; T288-W451 HydrophobicContact CG2-CZ2 4.03Å; T288-W451 HydrophobicContact CG2-CZ3 3.71Å; T291-W451 HydrophobicContact CG2-CH2 3.99Å; T291-W451 HydrophobicContact CG2-CZ3 4.43Å; I292-W451 HydrophobicContact CG1-CZ3 4.11Å; I441-W451 HydrophobicContact CD1-CD2 4.46Å; I441-W451 HydrophobicContact CD1-CE3 3.79Å; I441-W451 HydrophobicContact CD1-CH2 4.38Å; I441-W451 HydrophobicContact CD1-CZ3 3.75Å; I441-W451 HydrophobicContact CG2-CD2 4.16Å; I441-W451 HydrophobicContact CG2-CE3 4.46Å; I441-W451 HydrophobicContact CG2-CH2 4.47Å; I441-W451 HydrophobicContact CG2-CZ2 4.17Å; V447-W451 PolarHBondContact O-N 3.13Å; S449-W451 PolarHBondContact O-N 3.04Å; S449-W451 VanDerWaalsContact O-N 3.13Å; W451-Q454 PolarHBondContact O-N 3.07Å; W451-F455 HydrophobicContact CE3-CE2 4.08Å; W451-F455 WeakPolarHBondContact O-CD2 3.41Å; W451-F455 PolarHBondContact O-N 3.07Å; W451-F455 VanDerWaalsContact O-N 3.09Å; W451-I489 HydrophobicContact CB-CD1 4.09Å; W451-D516 HydrophobicContact CZ2-CB 4.17Å; W451-D516 PolarHBondContact NE1-OD2 3.42Å; W451-L543 HydrophobicContact CH2-CD1 4.08Å; W451-L543 HydrophobicContact CZ2-CD1 3.94Å
452	L	82.8	Confident	79.5	Confident	43 Å²	43	45.3 Å²	45.3	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-51.3	177	-64.3	168.8	0	0	0	111.2	S449 Q454 F455 E456 V467 L469 I489	S449-L452 CarbonylContact O-C 3.59Å; S449-L452 WeakPolarHBondContact O-CA 3.38Å; S449-L452 WeakPolarHBondContact O-CB 3.19Å; S449-L452 PolarHBondContact O-N 2.77Å; L452-Q454 PolarHBondContact O-N 2.69Å; L452-F455 WeakPolarHBondContact O-CB 2.92Å; L452-F455 PolarHBondContact O-N 2.94Å; L452-E456 PolarHBondContact O-N 3.34Å; L452-V467 HydrophobicContact CD2-CG1 3.98Å; L452-L469 HydrophobicContact CD1-CD1 4.35Å; L452-L469 HydrophobicContact CD1-CD2 4.2Å; L452-I489 HydrophobicContact CD2-CD1 3.9Å; L452-I489 HydrophobicContact CG-CD1 4.45Å
453	D	79.8	Confident	78.3	Confident	46 Å²	46	45.9 Å²	45.9	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-55.8	-39.4	178	-53.9	-30.2	0	0	0	110.9	S449 E456 Q457	S449-D453 PolarHBondContact O-N 2.74Å; D453-E456 PolarHBondContact O-N 3.17Å; D453-Q457 VanDerWaalsContact O-CB 3.31Å; D453-Q457 WeakPolarHBondContact O-CB 3.31Å; D453-Q457 VanDerWaalsContact O-CD 3.32Å; D453-Q457 WeakPolarHBondContact O-CG 3.34Å; D453-Q457 PolarHBondContact O-N 2.9Å
454	Q	84.6	Confident	77.2	Confident	24 Å²	24	54 Å²	54	11%	0.112	28%	0.278	C	S	.	.	H	α-helix	trans	-73.7	-29.9	178.9	-69.6	-87.4	-85.7	0	0	113.3	T288 I292 N450 W451 L452 H458	T288-Q454 HydrophobicContact CG2-CB 4.15Å; T288-Q454 HydrophobicContact CG2-CG 4.21Å; I292-Q454 HydrophobicContact CD1-CB 3.86Å; N450-Q454 WeakPolarHBondContact O-CB 3.4Å; N450-Q454 WeakPolarHBondContact O-CG 3.48Å; N450-Q454 PolarHBondContact O-N 2.87Å; W451-Q454 PolarHBondContact O-N 3.07Å; L452-Q454 PolarHBondContact O-N 2.69Å; Q454-H458 VanDerWaalsContact CD-NE2 3.33Å; Q454-H458 PolarHBondContact NE2-CD2 2.96Å; Q454-H458 PolarHBondContact NE2-NE2 3.46Å; Q454-H458 WeakPolarHBondContact O-CB 3.15Å; Q454-H458 PolarHBondContact O-CD2 3.01Å; Q454-H458 VanDerWaalsContact O-CD2 3.25Å; Q454-H458 PolarHBondContact O-N 3.16Å; Q454-H458 PolarHBondContact OE1-NE2 2.78Å
455	F	85.6	Confident	77	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-46.8	167.5	-83.1	-70.1	0	0	0	110.2	I292 I295 I441 W451 L452 Q457 L459 V467 V487 I489	I292-F455 HydrophobicContact CB-CE1 4.36Å; I292-F455 HydrophobicContact CD1-CD1 4.24Å; I292-F455 HydrophobicContact CD1-CE1 4.38Å; I292-F455 HydrophobicContact CD1-CG 4.32Å; I292-F455 HydrophobicContact CG1-CD1 4.15Å; I292-F455 HydrophobicContact CG1-CE1 3.81Å; I292-F455 HydrophobicContact CG1-CE2 4.44Å; I292-F455 HydrophobicContact CG1-CZ 3.96Å; I292-F455 HydrophobicContact CG2-CD1 4.02Å; I292-F455 HydrophobicContact CG2-CE1 3.95Å; I295-F455 HydrophobicContact CD1-CE1 4.33Å; I295-F455 HydrophobicContact CD1-CZ 3.89Å; I441-F455 HydrophobicContact CD1-CE2 4.05Å; I441-F455 HydrophobicContact CD1-CZ 4.09Å; W451-F455 HydrophobicContact CE3-CE2 4.08Å; W451-F455 WeakPolarHBondContact O-CD2 3.41Å; W451-F455 PolarHBondContact O-N 3.07Å; W451-F455 VanDerWaalsContact O-N 3.09Å; L452-F455 WeakPolarHBondContact O-CB 2.92Å; L452-F455 PolarHBondContact O-N 2.94Å; F455-Q457 PolarHBondContact O-N 2.86Å; F455-L459 HydrophobicContact CB-CD1 4.41Å; F455-L459 HydrophobicContact CD1-CD1 4.32Å; F455-L459 VanDerWaalsContact O-CB 3.3Å; F455-L459 WeakPolarHBondContact O-CB 3.41Å; F455-L459 VanDerWaalsContact O-CD1 3.26Å; F455-L459 WeakPolarHBondContact O-CD1 3.43Å; F455-L459 WeakPolarHBondContact O-CG 3.11Å; F455-L459 PolarHBondContact O-N 2.8Å; F455-V467 HydrophobicContact CD1-CG2 4.36Å; F455-V467 HydrophobicContact CD2-CG1 4.29Å; F455-V467 HydrophobicContact CD2-CG2 4.36Å; F455-V467 HydrophobicContact CG-CG2 4.21Å; F455-V487 HydrophobicContact CE1-CG2 4.36Å; F455-V487 HydrophobicContact CE2-CG1 4.14Å; F455-V487 HydrophobicContact CZ-CG1 3.97Å; F455-V487 HydrophobicContact CZ-CG2 4.1Å; F455-I489 HydrophobicContact CD2-CD1 4.19Å; F455-I489 HydrophobicContact CE2-CD1 3.95Å
456	E	82.3	Confident	77.5	Confident	156 Å²	156	54.5 Å²	54.5	73%	0.729	28%	0.281	S	S	*	.	H	α-helix	trans	-64.2	-38.2	179.9	-67.4	-177.2	-177	0	0	113.3	L452 D453	L452-E456 PolarHBondContact O-N 3.34Å; D453-E456 PolarHBondContact O-N 3.17Å
457	Q	81	Confident	78.5	Confident	116 Å²	116	54.1 Å²	54.1	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-77.7	-35.3	-177.4	-73.4	163.7	10.9	0	0	114.5	D453 F455	D453-Q457 VanDerWaalsContact O-CB 3.31Å; D453-Q457 WeakPolarHBondContact O-CB 3.31Å; D453-Q457 VanDerWaalsContact O-CD 3.32Å; D453-Q457 WeakPolarHBondContact O-CG 3.34Å; D453-Q457 PolarHBondContact O-N 2.9Å; F455-Q457 PolarHBondContact O-N 2.86Å
458	H	83.8	Confident	79.1	Confident	25 Å²	25	55.8 Å²	55.8	12%	0.116	28%	0.281	C	S	.	.	H	α-helix	trans	-101.1	-6.3	-170.2	-63.2	-52.7	0	0	0	114	V223 A224 T225 L289 Q454	V223-H458 CarbonylContact C-O 3.58Å; V223-H458 WeakPolarHBondContact CA-O 3.4Å; A224-H458 PolarHBondContact N-O 3.33Å; T225-H458 PolarHBondContact OG1-ND1 2.87Å; L289-H458 HydrophobicContact CD1-CB 3.79Å; Q454-H458 VanDerWaalsContact CD-NE2 3.33Å; Q454-H458 PolarHBondContact NE2-CD2 2.96Å; Q454-H458 PolarHBondContact NE2-NE2 3.46Å; Q454-H458 WeakPolarHBondContact O-CB 3.15Å; Q454-H458 PolarHBondContact O-CD2 3.01Å; Q454-H458 VanDerWaalsContact O-CD2 3.25Å; Q454-H458 PolarHBondContact O-N 3.16Å; Q454-H458 PolarHBondContact OE1-NE2 2.78Å
459	L	82.8	Confident	79.6	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.099	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-87.8	149.1	169.1	-71.4	171.8	0	0	0	111	L296 F455 P465	L296-L459 HydrophobicContact CD1-CD2 3.45Å; L296-L459 VanDerWaalsContact CD1-CD2 3.45Å; L296-L459 HydrophobicContact CD2-CD2 3.92Å; L296-L459 HydrophobicContact CG-CD2 4.33Å; F455-L459 HydrophobicContact CB-CD1 4.41Å; F455-L459 HydrophobicContact CD1-CD1 4.32Å; F455-L459 VanDerWaalsContact O-CB 3.3Å; F455-L459 WeakPolarHBondContact O-CB 3.41Å; F455-L459 VanDerWaalsContact O-CD1 3.26Å; F455-L459 WeakPolarHBondContact O-CD1 3.43Å; F455-L459 WeakPolarHBondContact O-CG 3.11Å; F455-L459 PolarHBondContact O-N 2.8Å; L459-P465 HydrophobicContact CD1-CG 3.56Å
460	R	74.6	Confident	80.3	Confident	114 Å²	114	57.4 Å²	57.4	43%	0.43	29%	0.288	S	S	.	.			trans	-72.2	146.7	166.9	-63.9	169.4	52.1	118.3	-1.3	110.4	E221 S222 A224 D462 V463	E221-R460 WeakPolarHBondContact O-CD 3.41Å; S222-R460 PolarHBondContact O-N 2.99Å; S222-R460 VanDerWaalsContact O-N 3.14Å; A224-R460 HydrophobicContact CB-CB 4.49Å; A224-R460 HydrophobicContact CB-CG 3.76Å; R460-D462 WeakPolarHBondContact CB-OD1 3.26Å; R460-D462 IonicContact CZ-OD1 2.79Å; R460-D462 IonicContact CZ-OD2 2.76Å; R460-D462 IonicContact NE-OD1 3.49Å; R460-D462 PolarHBondContact NE-OD1 3.08Å; R460-D462 IonicContact NE-OD2 2.76Å; R460-D462 PolarHBondContact NE-OD2 3.16Å; R460-D462 IonicContact NH2-OD1 3.74Å; R460-D462 IonicContact NH2-OD2 3.78Å; R460-D462 PolarHBondContact NH2-OD2 2.81Å; R460-D462 PolarHBondContact O-N 2.73Å; R460-V463 HydrophobicContact CB-CG2 4.44Å; R460-V463 PolarHBondContact O-N 2.7Å
461	S	69.7	Low	80.4	Confident	120 Å²	120	61.2 Å²	61.2	84%	0.839	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.2	-178.3	-46.1	0	0	0	0	114.8
462	D	70.6	Confident	79.6	Confident	59 Å²	59	62.7 Å²	62.7	32%	0.316	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.7	175.5	56.7	-4.7	0	0	0	113.9	R460	R460-D462 WeakPolarHBondContact CB-OD1 3.26Å; R460-D462 IonicContact CZ-OD1 2.79Å; R460-D462 IonicContact CZ-OD2 2.76Å; R460-D462 IonicContact NE-OD1 3.49Å; R460-D462 PolarHBondContact NE-OD1 3.08Å; R460-D462 IonicContact NE-OD2 2.76Å; R460-D462 PolarHBondContact NE-OD2 3.16Å; R460-D462 IonicContact NH2-OD1 3.74Å; R460-D462 IonicContact NH2-OD2 3.78Å; R460-D462 PolarHBondContact NH2-OD2 2.81Å; R460-D462 PolarHBondContact O-N 2.73Å
463	V	68.1	Low	78.7	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.079	34%	0.342	C	S	.	.			trans	-124.4	112.4	-179.9	-166.7	0	0	0	0	111.3	V307 R460	V307-V463 HydrophobicContact CG1-CB 4.43Å; V307-V463 HydrophobicContact CG1-CG1 4.34Å; V307-V463 HydrophobicContact CG1-CG2 3.69Å; V307-V463 HydrophobicContact CG2-CG1 3.99Å; V307-V463 HydrophobicContact CG2-CG2 4.03Å; R460-V463 HydrophobicContact CB-CG2 4.44Å; R460-V463 PolarHBondContact O-N 2.7Å
464	K	67.8	Low	78.1	Confident	170 Å²	170	72.5 Å²	72.5	74%	0.739	37%	0.372	S	S	*	.			trans	-121.4	94.8	176.8	-66.7	-173.2	179.6	-176.1	0	111.3
465	P	76.1	Confident	77.9	Confident	21 Å²	21	73 Å²	73	14%	0.136	37%	0.372	C	S	.	.			trans	-69.7	151.4	171.5	30	-32	0	0	0	110.4	L305 L459 V467 D486	L305-P465 HydrophobicContact CD1-CB 4.43Å; L459-P465 HydrophobicContact CD1-CG 3.56Å; P465-V467 HydrophobicContact CG-CG2 4.15Å; P465-V467 PolarHBondContact O-N 3.4Å; P465-D486 HydrophobicContact CB-CB 4.32Å
466	N	82.5	Confident	77.6	Confident	92 Å²	92	75.6 Å²	75.6	49%	0.492	39%	0.387	S	S	.	.			trans	-77.6	92.3	178.1	-63	-73.6	0	0	0	110.1	D486 V487	N466-D486 WeakPolarHBondContact CB-OD2 3.48Å; N466-D486 PolarHBondContact N-OD2 3.48Å; N466-D486 PolarHBondContact ND2-OD2 3.44Å; N466-D486 VanDerWaalsContact ND2-OD2 3.09Å; N466-D486 PolarHBondContact O-N 2.81Å; N466-D486 VanDerWaalsContact O-N 3.07Å; N466-V487 PolarHBondContact O-N 3.31Å
467	V	86.4	Confident	77.6	Confident	45 Å²	45	75 Å²	75	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.1	175.5	-173.4	0	0	0	0	109.4	L452 F455 P465 V487 I489	L452-V467 HydrophobicContact CD2-CG1 3.98Å; F455-V467 HydrophobicContact CD1-CG2 4.36Å; F455-V467 HydrophobicContact CD2-CG1 4.29Å; F455-V467 HydrophobicContact CD2-CG2 4.36Å; F455-V467 HydrophobicContact CG-CG2 4.21Å; P465-V467 HydrophobicContact CG-CG2 4.15Å; P465-V467 PolarHBondContact O-N 3.4Å; V467-V487 WeakPolarHBondContact CA-O 3.48Å; V467-V487 HydrophobicContact CG1-CB 4.37Å; V467-V487 HydrophobicContact CG1-CG1 4.41Å; V467-V487 HydrophobicContact CG2-CB 4.24Å; V467-I489 HydrophobicContact CG1-CD1 3.66Å; V467-I489 HydrophobicContact CG1-CG1 4.08Å
468	Y	88.5	Confident	77.7	Confident	50 Å²	50	71.8 Å²	71.8	20%	0.196	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.2	179	-178.4	-105.9	0	0	0	112.4	Y470 N476 F481 L482 Q485 V487 V488 I489	Y468-Y470 HydrophobicContact CE1-CD2 4.11Å; Y468-N476 WeakPolarHBondContact OH-CB 3.41Å; Y468-N476 PolarHBondContact OH-N 3.06Å; Y468-N476 VanDerWaalsContact OH-N 3.08Å; Y468-F481 AromaticContact CD1-CE1 3.98Å; Y468-F481 HydrophobicContact CD1-CE1 3.98Å; Y468-F481 AromaticContact CD2-CE1 3.74Å; Y468-F481 HydrophobicContact CD2-CE1 3.74Å; Y468-F481 AromaticContact CD2-CZ 3.9Å; Y468-F481 HydrophobicContact CD2-CZ 3.9Å; Y468-F481 AromaticContact CE1-CE1 3.94Å; Y468-F481 HydrophobicContact CE1-CE1 3.94Å; Y468-F481 AromaticContact CE2-CE1 3.72Å; Y468-F481 HydrophobicContact CE2-CE1 3.72Å; Y468-F481 HydrophobicContact CE2-CZ 4.02Å; Y468-F481 AromaticContact CG-CE1 3.88Å; Y468-F481 HydrophobicContact CG-CE1 3.88Å; Y468-F481 HydrophobicContact CG-CZ 4.36Å; Y468-F481 AromaticContact CZ-CE1 3.83Å; Y468-L482 HydrophobicContact CD1-CD2 3.8Å; Y468-L482 HydrophobicContact CE1-CD2 3.88Å; Y468-Q485 HydrophobicContact CG-CG 4.5Å; Y468-V487 PolarHBondContact N-O 2.82Å; Y468-V488 WeakPolarHBondContact O-CA 3.36Å; Y468-I489 PolarHBondContact O-N 3.4Å
469	L	87.4	Confident	77.6	Confident	64 Å²	64	75.3 Å²	75.3	34%	0.335	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.2	176	-176.3	64.6	0	0	0	110.9	L448 L452 Y471	L448-L469 HydrophobicContact CD1-CD1 3.71Å; L448-L469 HydrophobicContact CD2-CD1 4.01Å; L448-L469 HydrophobicContact CG-CD1 3.84Å; L452-L469 HydrophobicContact CD1-CD1 4.35Å; L452-L469 HydrophobicContact CD1-CD2 4.2Å; L469-Y471 PolarHBondContact O-N 2.94Å
470	Y	86.3	Confident	77.6	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.406	C	S	.	.			trans	-88.5	78.2	175.3	-171.2	-94.5	0	0	0	110.2	Y468 R475 N476 L482 I489 T490 V494 D498 P504 L505	Y468-Y470 HydrophobicContact CE1-CD2 4.11Å; Y470-R475 HydrophobicContact CD2-CB 4.14Å; Y470-R475 HydrophobicContact CE1-CG 4.45Å; Y470-R475 HydrophobicContact CE2-CB 4.05Å; Y470-R475 HydrophobicContact CE2-CG 4.02Å; Y470-N476 WeakPolarHBondContact CE2-O 3.5Å; Y470-L482 HydrophobicContact CD2-CD1 4.33Å; Y470-L482 HydrophobicContact CD2-CD2 3.94Å; Y470-L482 HydrophobicContact CE2-CD1 4.15Å; Y470-I489 PolarHBondContact N-O 3.02Å; Y470-T490 PolarHBondContact O-OG1 3.12Å; Y470-V494 HydrophobicContact CD1-CG1 3.66Å; Y470-V494 HydrophobicContact CE1-CG1 3.55Å; Y470-D498 WeakPolarHBondContact CE1-OD2 3.48Å; Y470-D498 VanDerWaalsContact CZ-OD2 3.27Å; Y470-D498 PolarHBondContact OH-OD2 2.91Å; Y470-P504 HydrophobicContact CE2-CG 4.38Å; Y470-P504 WeakPolarHBondContact OH-CG 3.28Å; Y470-L505 HydrophobicContact CD1-CD1 3.9Å; Y470-L505 HydrophobicContact CD1-CD2 4.23Å; Y470-L505 HydrophobicContact CD1-CG 4.35Å; Y470-L505 HydrophobicContact CE1-CD1 3.74Å; Y470-L505 HydrophobicContact CE1-CD2 4.3Å; Y470-L505 HydrophobicContact CE1-CG 4.02Å; Y470-L505 HydrophobicContact CG-CD2 4.38Å
471	Y	80.4	Confident	78.1	Confident	102 Å²	102	76.6 Å²	76.6	40%	0.4	40%	0.399	S	S	.	.			trans	-143.1	162.5	-178.8	-169.2	-102.1	0	0	0	111.8	L445 L448 L469 T491 V494	L445-Y471 HydrophobicContact CD1-CD2 4.5Å; L445-Y471 HydrophobicContact CD1-CE1 4.46Å; L445-Y471 HydrophobicContact CD1-CE2 3.64Å; L445-Y471 WeakPolarHBondContact CD1-OH 3.35Å; L448-Y471 HydrophobicContact CD2-CD2 4.03Å; L448-Y471 HydrophobicContact CD2-CE2 4.49Å; L448-Y471 HydrophobicContact CD2-CG 4.1Å; L469-Y471 PolarHBondContact O-N 2.94Å; Y471-T491 HydrophobicContact CD2-CG2 4.19Å; Y471-T491 HydrophobicContact CE2-CG2 4.29Å; Y471-V494 HydrophobicContact CD2-CG2 3.74Å; Y471-V494 HydrophobicContact CE2-CG2 4.05Å
472	G	71.1	Confident	78.9	Confident	31 Å²	31	70.9 Å²	70.9	32%	0.32	36%	0.359	S	S	.	.	S	Bend	trans	78.6	174.8	179.4	0	0	0	0	0	114.8	R475	G472-R475 VanDerWaalsContact O-CD 3.3Å; G472-R475 WeakPolarHBondContact O-CD 3.13Å; G472-R475 WeakPolarHBondContact O-CG 3.17Å; G472-R475 PolarHBondContact O-NH1 3.33Å
473	S	63.3	Low	79.5	Confident	107 Å²	107	69 Å²	69	75%	0.748	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-35.6	180	38.5	0	0	0	0	113.1	R475	S473-R475 PolarHBondContact O-N 2.79Å
474	E	67.2	Low	80.2	Confident	188 Å²	188	72.1 Å²	72.1	88%	0.879	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	8.8	-176.2	-56.9	-173.5	164.6	0	0	114.2	N476	E474-N476 PolarHBondContact O-N 3.07Å
475	R	79.7	Confident	81.1	Confident	34 Å²	34	65 Å²	65	13%	0.128	34%	0.343	C	S	.	.			trans	-55.7	130.5	-177.4	61.7	-171.3	-178.6	-98.5	8	112.7	Y470 G472 S473 R477 D498	Y470-R475 HydrophobicContact CD2-CB 4.14Å; Y470-R475 HydrophobicContact CE1-CG 4.45Å; Y470-R475 HydrophobicContact CE2-CB 4.05Å; Y470-R475 HydrophobicContact CE2-CG 4.02Å; G472-R475 VanDerWaalsContact O-CD 3.3Å; G472-R475 WeakPolarHBondContact O-CD 3.13Å; G472-R475 WeakPolarHBondContact O-CG 3.17Å; G472-R475 PolarHBondContact O-NH1 3.33Å; S473-R475 PolarHBondContact O-N 2.79Å; R475-R477 PolarHBondContact O-N 3.36Å; R475-R477 VanDerWaalsContact O-N 3.16Å; R475-D498 IonicContact CZ-OD1 2.64Å; R475-D498 IonicContact CZ-OD2 2.8Å; R475-D498 IonicContact NE-OD1 2.78Å; R475-D498 IonicContact NE-OD2 2.72Å; R475-D498 PolarHBondContact NE-OD2 3.22Å; R475-D498 VanDerWaalsContact NE-OD2 3.16Å; R475-D498 IonicContact NH2-OD1 3.06Å; R475-D498 PolarHBondContact NH2-OD1 3.45Å; R475-D498 IonicContact NH2-OD2 3.05Å
476	N	80	Confident	81.5	Confident	62 Å²	62	65.5 Å²	65.5	33%	0.332	34%	0.344	S	S	.	.			trans	-69.2	112.5	179.9	-173.5	-15	0	0	0	110.5	Y468 Y470 E474 S478 F481	Y468-N476 WeakPolarHBondContact OH-CB 3.41Å; Y468-N476 PolarHBondContact OH-N 3.06Å; Y468-N476 VanDerWaalsContact OH-N 3.08Å; Y470-N476 WeakPolarHBondContact CE2-O 3.5Å; E474-N476 PolarHBondContact O-N 3.07Å; N476-S478 VanDerWaalsContact OD1-CB 3.25Å; N476-S478 WeakPolarHBondContact OD1-CB 3.37Å; N476-S478 PolarHBondContact OD1-N 3.22Å; N476-F481 HydrophobicContact CB-CD1 4.04Å; N476-F481 HydrophobicContact CB-CE1 4.22Å; N476-F481 WeakPolarHBondContact ND2-CD1 2.97Å; N476-F481 VanDerWaalsContact ND2-CG 3.32Å; N476-F481 WeakPolarHBondContact ND2-CG 3.31Å
477	R	82.6	Confident	81.9	Confident	144 Å²	144	61.1 Å²	61.1	54%	0.543	32%	0.321	S	S	.	.			trans	-88.8	7.2	-178.5	-62.6	-176.8	176.3	155.6	-0.3	114	R475 K479 P504	R475-R477 PolarHBondContact O-N 3.36Å; R475-R477 VanDerWaalsContact O-N 3.16Å; R477-K479 PolarHBondContact O-N 3.14Å; R477-P504 HydrophobicContact CB-CB 4.46Å; R477-P504 HydrophobicContact CB-CG 4.14Å; R477-P504 HydrophobicContact CG-CG 4.31Å; R477-P504 VanDerWaalsContact O-CB 3.3Å; R477-P504 WeakPolarHBondContact O-CB 3.33Å
478	S	82.1	Confident	82.2	Confident	47 Å²	47	59 Å²	59	33%	0.329	31%	0.308	S	S	.	.			trans	-72.8	121.5	179.2	-178.8	0	0	0	0	111.9	N476 T480 F481 L482	N476-S478 VanDerWaalsContact OD1-CB 3.25Å; N476-S478 WeakPolarHBondContact OD1-CB 3.37Å; N476-S478 PolarHBondContact OD1-N 3.22Å; S478-T480 VanDerWaalsContact C-N 3.3Å; S478-T480 PolarHBondContact O-N 3.48Å; S478-T480 PolarHBondContact OG-OG1 3.34Å; S478-F481 PolarHBondContact O-N 2.79Å; S478-L482 WeakPolarHBondContact O-CG 3.48Å; S478-L482 PolarHBondContact O-N 2.62Å; S478-L482 VanDerWaalsContact O-N 3.07Å
479	K	83.2	Confident	82.4	Confident	99 Å²	99	56.6 Å²	56.6	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-37.2	177.7	-63.7	-177.7	-175.2	178.5	0	112.6	R477 S483 I508	R477-K479 PolarHBondContact O-N 3.14Å; K479-S483 VanDerWaalsContact O-CB 3.29Å; K479-S483 WeakPolarHBondContact O-CB 3.32Å; K479-S483 PolarHBondContact O-N 2.87Å; K479-S483 PolarHBondContact O-OG 3.41Å; K479-I508 HydrophobicContact CB-CG1 4.28Å; K479-I508 HydrophobicContact CG-CG1 4.47Å
480	T	82.4	Confident	82.6	Confident	96 Å²	96	53.5 Å²	53.5	59%	0.589	28%	0.282	S	S	*	.	H	α-helix	trans	-68	-42.5	-179.2	52.6	0	0	0	0	111.1	S478 S483 S484	S478-T480 VanDerWaalsContact C-N 3.3Å; S478-T480 PolarHBondContact O-N 3.48Å; S478-T480 PolarHBondContact OG-OG1 3.34Å; T480-S483 PolarHBondContact O-N 2.83Å; T480-S484 PolarHBondContact O-N 3.45Å
481	F	85.8	Confident	82.6	Confident	64 Å²	64	53.5 Å²	53.5	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-47.8	174.2	177	-97.1	0	0	0	112.1	Y468 N476 S478 S483 S484 Q485	Y468-F481 AromaticContact CD1-CE1 3.98Å; Y468-F481 HydrophobicContact CD1-CE1 3.98Å; Y468-F481 AromaticContact CD2-CE1 3.74Å; Y468-F481 HydrophobicContact CD2-CE1 3.74Å; Y468-F481 AromaticContact CD2-CZ 3.9Å; Y468-F481 HydrophobicContact CD2-CZ 3.9Å; Y468-F481 AromaticContact CE1-CE1 3.94Å; Y468-F481 HydrophobicContact CE1-CE1 3.94Å; Y468-F481 AromaticContact CE2-CE1 3.72Å; Y468-F481 HydrophobicContact CE2-CE1 3.72Å; Y468-F481 HydrophobicContact CE2-CZ 4.02Å; Y468-F481 AromaticContact CG-CE1 3.88Å; Y468-F481 HydrophobicContact CG-CE1 3.88Å; Y468-F481 HydrophobicContact CG-CZ 4.36Å; Y468-F481 AromaticContact CZ-CE1 3.83Å; N476-F481 HydrophobicContact CB-CD1 4.04Å; N476-F481 HydrophobicContact CB-CE1 4.22Å; N476-F481 WeakPolarHBondContact ND2-CD1 2.97Å; N476-F481 VanDerWaalsContact ND2-CG 3.32Å; N476-F481 WeakPolarHBondContact ND2-CG 3.31Å; S478-F481 PolarHBondContact O-N 2.79Å; F481-S483 VanDerWaalsContact C-N 3.29Å; F481-S483 PolarHBondContact O-N 3.3Å; F481-S484 PolarHBondContact O-N 3.21Å; F481-S484 PolarHBondContact O-OG 3.43Å; F481-Q485 WeakPolarHBondContact O-CG 3.25Å; F481-Q485 PolarHBondContact O-NE2 3.27Å; F481-Q485 VanDerWaalsContact O-NE2 3.07Å
482	L	84.8	Confident	82.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-32.2	179.3	-67.6	171.2	0	0	0	112.6	Y468 Y470 S478 S484 V488 P504 L505 I508 W510	Y468-L482 HydrophobicContact CD1-CD2 3.8Å; Y468-L482 HydrophobicContact CE1-CD2 3.88Å; Y470-L482 HydrophobicContact CD2-CD1 4.33Å; Y470-L482 HydrophobicContact CD2-CD2 3.94Å; Y470-L482 HydrophobicContact CE2-CD1 4.15Å; S478-L482 WeakPolarHBondContact O-CG 3.48Å; S478-L482 PolarHBondContact O-N 2.62Å; S478-L482 VanDerWaalsContact O-N 3.07Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.04Å; L482-V488 HydrophobicContact CD2-CG1 4.27Å; L482-V488 HydrophobicContact CD2-CG2 4.32Å; L482-P504 HydrophobicContact CD1-CB 4.01Å; L482-L505 HydrophobicContact CD1-CD2 4.25Å; L482-I508 HydrophobicContact CB-CD1 3.54Å; L482-I508 HydrophobicContact CD1-CD1 4.12Å; L482-W510 HydrophobicContact CB-CH2 4.49Å
483	S	83.2	Confident	83.4	Confident	21 Å²	21	49.8 Å²	49.8	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-75.3	-17	177.1	-56.5	0	0	0	0	113.6	K479 T480 F481	K479-S483 VanDerWaalsContact O-CB 3.29Å; K479-S483 WeakPolarHBondContact O-CB 3.32Å; K479-S483 PolarHBondContact O-N 2.87Å; K479-S483 PolarHBondContact O-OG 3.41Å; T480-S483 PolarHBondContact O-N 2.83Å; F481-S483 VanDerWaalsContact C-N 3.29Å; F481-S483 PolarHBondContact O-N 3.3Å
484	S	83.1	Confident	84.4	Confident	77 Å²	77	45.1 Å²	45.1	54%	0.538	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-9.9	177.9	76.9	0	0	0	0	113.9	T480 F481 L482	T480-S484 PolarHBondContact O-N 3.45Å; F481-S484 PolarHBondContact O-N 3.21Å; F481-S484 PolarHBondContact O-OG 3.43Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.04Å
485	Q	86.4	Confident	85.4	Confident	22 Å²	22	36.2 Å²	36.2	10%	0.103	19%	0.187	C	C	.	.			trans	-79.1	156.9	177.5	-51.5	-52.8	-61	0	0	111	A438 Y468 F481 V488	A438-Q485 WeakPolarHBondContact CA-O 3.33Å; A438-Q485 WeakPolarHBondContact CB-O 3.3Å; Y468-Q485 HydrophobicContact CG-CG 4.5Å; F481-Q485 WeakPolarHBondContact O-CG 3.25Å; F481-Q485 PolarHBondContact O-NE2 3.27Å; F481-Q485 VanDerWaalsContact O-NE2 3.07Å; Q485-V488 HydrophobicContact CB-CG2 3.9Å; Q485-V488 HydrophobicContact CG-CG2 4.18Å
486	D	85.6	Confident	85.7	Confident	30 Å²	30	35.4 Å²	35.4	16%	0.16	19%	0.187	C	C	.	.	S	Bend	trans	-84.1	-40.9	173.8	-61.6	-61.6	0	0	0	110.8	L305 A438 T439 P465 N466	L305-D486 HydrophobicContact CD2-CB 4.39Å; L305-D486 WeakPolarHBondContact CD2-OD1 3.37Å; A438-D486 WeakPolarHBondContact CA-O 3.5Å; T439-D486 PolarHBondContact N-O 2.99Å; P465-D486 HydrophobicContact CB-CB 4.32Å; N466-D486 WeakPolarHBondContact CB-OD2 3.48Å; N466-D486 PolarHBondContact N-OD2 3.48Å; N466-D486 PolarHBondContact ND2-OD2 3.44Å; N466-D486 VanDerWaalsContact ND2-OD2 3.09Å; N466-D486 PolarHBondContact O-N 2.81Å; N466-D486 VanDerWaalsContact O-N 3.07Å
487	V	90.2	Very high	85.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	178.2	-175.3	0	0	0	0	110	I295 T439 I441 F455 N466 V467 Y468 I489	I295-V487 HydrophobicContact CD1-CG2 4.37Å; I295-V487 HydrophobicContact CG2-CG2 4.02Å; T439-V487 CarbonylContact O-C 3.56Å; T439-V487 WeakPolarHBondContact O-CA 3.46Å; I441-V487 HydrophobicContact CD1-CG1 3.74Å; I441-V487 HydrophobicContact CG1-CG1 4.17Å; F455-V487 HydrophobicContact CE1-CG2 4.36Å; F455-V487 HydrophobicContact CE2-CG1 4.14Å; F455-V487 HydrophobicContact CZ-CG1 3.97Å; F455-V487 HydrophobicContact CZ-CG2 4.1Å; N466-V487 PolarHBondContact O-N 3.31Å; V467-V487 WeakPolarHBondContact CA-O 3.48Å; V467-V487 HydrophobicContact CG1-CB 4.37Å; V467-V487 HydrophobicContact CG1-CG1 4.41Å; V467-V487 HydrophobicContact CG2-CB 4.24Å; Y468-V487 PolarHBondContact N-O 2.82Å; V487-I489 HydrophobicContact CG1-CG1 3.99Å
488	V	92.4	Very high	85.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.5	170.5	178.6	0	0	0	0	108.5	T439 L440 I441 Y468 L482 Q485 W510	T439-V488 PolarHBondContact O-N 3.48Å; L440-V488 CarbonylContact C-O 3.52Å; L440-V488 WeakPolarHBondContact CA-O 3.46Å; L440-V488 HydrophobicContact CD1-CB 4.11Å; L440-V488 HydrophobicContact CD1-CG1 3.95Å; I441-V488 PolarHBondContact N-O 2.84Å; Y468-V488 WeakPolarHBondContact O-CA 3.36Å; L482-V488 HydrophobicContact CD2-CG1 4.27Å; L482-V488 HydrophobicContact CD2-CG2 4.32Å; Q485-V488 HydrophobicContact CB-CG2 3.9Å; Q485-V488 HydrophobicContact CG-CG2 4.18Å; V488-W510 HydrophobicContact CB-CH2 4.03Å; V488-W510 HydrophobicContact CB-CZ3 4.04Å; V488-W510 HydrophobicContact CG1-CH2 4.32Å; V488-W510 HydrophobicContact CG2-CH2 3.93Å; V488-W510 HydrophobicContact CG2-CZ3 3.86Å
489	I	92.6	Very high	85.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.5	179.8	-46	-178.2	0	0	0	109.3	I441 L448 W451 L452 F455 V467 Y468 Y470 V487	I441-I489 HydrophobicContact CB-CG1 4.45Å; I441-I489 HydrophobicContact CB-CG2 4.36Å; I441-I489 HydrophobicContact CD1-CG1 4.48Å; I441-I489 HydrophobicContact CG2-CG2 4.47Å; L448-I489 HydrophobicContact CD1-CG2 3.65Å; W451-I489 HydrophobicContact CB-CD1 4.09Å; L452-I489 HydrophobicContact CD2-CD1 3.9Å; L452-I489 HydrophobicContact CG-CD1 4.45Å; F455-I489 HydrophobicContact CD2-CD1 4.19Å; F455-I489 HydrophobicContact CE2-CD1 3.95Å; V467-I489 HydrophobicContact CG1-CD1 3.66Å; V467-I489 HydrophobicContact CG1-CG1 4.08Å; Y468-I489 PolarHBondContact O-N 3.4Å; Y470-I489 PolarHBondContact N-O 3.02Å; V487-I489 HydrophobicContact CG1-CG1 3.99Å
490	T	91.8	Very high	84.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	173.2	-179.9	-170.6	0	0	0	0	111.2	L440 I441 V442 C443 Y470 L505	L440-T490 HydrophobicContact CD1-CG2 3.83Å; I441-T490 PolarHBondContact O-N 3.16Å; V442-T490 WeakPolarHBondContact CA-O 3.37Å; V442-T490 HydrophobicContact CB-CG2 4.42Å; V442-T490 HydrophobicContact CG1-CG2 4.4Å; V442-T490 HydrophobicContact CG2-CG2 3.9Å; C443-T490 PolarHBondContact N-O 3.46Å; Y470-T490 PolarHBondContact O-OG1 3.12Å; T490-L505 HydrophobicContact CG2-CD1 4.28Å
491	T	87.8	Confident	83.5	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	153.6	175.8	65.2	0	0	0	0	112.1	C443 L445 L448 Y471 N493 V494 L495	C443-T491 VanDerWaalsContact O-CA 3.27Å; C443-T491 WeakPolarHBondContact O-CA 3.22Å; L445-T491 HydrophobicContact CB-CG2 4.22Å; L445-T491 HydrophobicContact CD1-CG2 4.17Å; L448-T491 HydrophobicContact CD1-CG2 4.03Å; L448-T491 HydrophobicContact CD2-CG2 3.86Å; L448-T491 HydrophobicContact CG-CG2 4.42Å; Y471-T491 HydrophobicContact CD2-CG2 4.19Å; Y471-T491 HydrophobicContact CE2-CG2 4.29Å; T491-N493 PolarHBondContact O-N 2.97Å; T491-N493 VanDerWaalsContact O-N 3.11Å; T491-V494 PolarHBondContact O-N 3.25Å; T491-V494 VanDerWaalsContact O-N 3.11Å; T491-V494 WeakPolarHBondContact OG1-CG2 3.27Å; T491-V494 PolarHBondContact OG1-N 3.19Å; T491-L495 WeakPolarHBondContact O-CB 3.5Å; T491-L495 PolarHBondContact O-N 2.79Å
492	Y	85.7	Confident	82.5	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-51.2	-34.7	172.7	-67.9	-77.2	0	0	0	112.9	V442 C443 P444 S496 L515 D516 V520 I521	V442-Y492 HydrophobicContact CB-CE1 4.46Å; V442-Y492 HydrophobicContact CG1-CD1 3.6Å; V442-Y492 HydrophobicContact CG1-CD2 4.22Å; V442-Y492 HydrophobicContact CG1-CE1 3.73Å; V442-Y492 HydrophobicContact CG1-CE2 4.34Å; V442-Y492 HydrophobicContact CG1-CG 3.86Å; C443-Y492 WeakPolarHBondContact O-CD2 3.48Å; C443-Y492 PolarHBondContact O-N 3.39Å; P444-Y492 HydrophobicContact CG-CE2 4.39Å; Y492-S496 WeakPolarHBondContact O-CB 3.45Å; Y492-S496 PolarHBondContact O-N 3.2Å; Y492-L515 HydrophobicContact CE1-CD2 4.25Å; Y492-D516 VanDerWaalsContact CE2-O 3.29Å; Y492-D516 WeakPolarHBondContact CE2-O 3.33Å; Y492-D516 PolarHBondContact OH-O 2.94Å; Y492-V520 HydrophobicContact CD1-CG1 4.23Å; Y492-V520 HydrophobicContact CD2-CG1 4.1Å; Y492-V520 HydrophobicContact CE1-CG1 4.46Å; Y492-V520 HydrophobicContact CE2-CB 4.28Å; Y492-V520 HydrophobicContact CE2-CG1 4.34Å; Y492-V520 HydrophobicContact CE2-CG2 4.39Å; Y492-V520 HydrophobicContact CG-CG1 4.05Å; Y492-I521 HydrophobicContact CD1-CG2 4.21Å; Y492-I521 HydrophobicContact CE1-CG2 3.86Å
493	N	82.1	Confident	82	Confident	47 Å²	47	34.6 Å²	34.6	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-67.6	-48.5	178.8	-59.1	-34.4	0	0	0	112.1	T491 S496 S497 R725	T491-N493 PolarHBondContact O-N 2.97Å; T491-N493 VanDerWaalsContact O-N 3.11Å; N493-S496 PolarHBondContact O-N 3.11Å; N493-S497 WeakPolarHBondContact O-CB 3.4Å; N493-S497 PolarHBondContact O-N 3.34Å; N493-S497 PolarHBondContact O-OG 2.95Å; N493-R725 PolarHBondContact ND2-NH1 3.32Å; N493-R725 VanDerWaalsContact ND2-NH1 3.14Å; N493-R725 VanDerWaalsContact OD1-CZ 3.3Å; N493-R725 PolarHBondContact OD1-NH1 3.16Å; N493-R725 PolarHBondContact OD1-NH2 3.03Å
494	V	84.6	Confident	81.9	Confident	10 Å²	10	34 Å²	34	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-45.1	177	171.7	0	0	0	0	109.8	Y470 Y471 T491 S496 S497 D498	Y470-V494 HydrophobicContact CD1-CG1 3.66Å; Y470-V494 HydrophobicContact CE1-CG1 3.55Å; Y471-V494 HydrophobicContact CD2-CG2 3.74Å; Y471-V494 HydrophobicContact CE2-CG2 4.05Å; T491-V494 PolarHBondContact O-N 3.25Å; T491-V494 VanDerWaalsContact O-N 3.11Å; T491-V494 WeakPolarHBondContact OG1-CG2 3.27Å; T491-V494 PolarHBondContact OG1-N 3.19Å; V494-S496 VanDerWaalsContact C-N 3.31Å; V494-S496 PolarHBondContact O-N 3.41Å; V494-S497 WeakPolarHBondContact CA-OG 3.4Å; V494-S497 PolarHBondContact O-N 2.84Å; V494-S497 VanDerWaalsContact O-N 3.17Å; V494-S497 PolarHBondContact O-OG 3.06Å; V494-D498 PolarHBondContact O-N 3.4Å
495	L	87.5	Confident	82.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-43.1	175.2	180	65.1	0	0	0	112.4	V442 T491 F499 L505 A531 A532 L535	V442-L495 HydrophobicContact CG1-CD2 4.04Å; V442-L495 HydrophobicContact CG2-CD2 4.24Å; T491-L495 WeakPolarHBondContact O-CB 3.5Å; T491-L495 PolarHBondContact O-N 2.79Å; L495-F499 WeakPolarHBondContact O-CB 3.49Å; L495-F499 PolarHBondContact O-N 3.33Å; L495-L505 HydrophobicContact CD1-CD1 4.09Å; L495-A531 HydrophobicContact CD1-CB 4.46Å; L495-A531 HydrophobicContact CD2-CB 4.34Å; L495-A531 HydrophobicContact CG-CB 3.88Å; L495-A532 HydrophobicContact CD2-CB 4.36Å; L495-L535 HydrophobicContact CD1-CD1 4.3Å; L495-L535 HydrophobicContact CD1-CD2 4.04Å; L495-L535 HydrophobicContact CD1-CG 4.44Å; L495-L535 HydrophobicContact CD2-CD1 4.1Å
496	S	85.5	Confident	82.2	Confident	18 Å²	18	30.4 Å²	30.4	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-69.6	-41.4	175.7	-167.7	0	0	0	0	112.5	Y492 N493 V494 D498 F499 Q527 M528	Y492-S496 WeakPolarHBondContact O-CB 3.45Å; Y492-S496 PolarHBondContact O-N 3.2Å; N493-S496 PolarHBondContact O-N 3.11Å; V494-S496 VanDerWaalsContact C-N 3.31Å; V494-S496 PolarHBondContact O-N 3.41Å; S496-D498 VanDerWaalsContact C-N 3.33Å; S496-D498 PolarHBondContact O-N 2.95Å; S496-F499 WeakPolarHBondContact O-CB 3.49Å; S496-F499 PolarHBondContact O-N 2.6Å; S496-F499 VanDerWaalsContact O-N 3.09Å; S496-Q527 PolarHBondContact O-NE2 2.86Å; S496-Q527 VanDerWaalsContact O-NE2 3.11Å; S496-Q527 WeakPolarHBondContact OG-CB 3.43Å; S496-Q527 WeakPolarHBondContact OG-CG 3.3Å; S496-M528 PolarHBondContact OG-N 2.71Å
497	S	81.8	Confident	82.1	Confident	69 Å²	69	30.6 Å²	30.6	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-66.9	-33	179	70.1	0	0	0	0	113.1	N493 V494 F499	N493-S497 WeakPolarHBondContact O-CB 3.4Å; N493-S497 PolarHBondContact O-N 3.34Å; N493-S497 PolarHBondContact O-OG 2.95Å; V494-S497 WeakPolarHBondContact CA-OG 3.4Å; V494-S497 PolarHBondContact O-N 2.84Å; V494-S497 VanDerWaalsContact O-N 3.17Å; V494-S497 PolarHBondContact O-OG 3.06Å; S497-F499 VanDerWaalsContact C-N 3.27Å
498	D	81.9	Confident	82	Confident	10 Å²	10	30.7 Å²	30.7	5%	0.053	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1	173.8	-74.2	-15.4	0	0	0	112.6	Y470 R475 V494 S496 G500 S503	Y470-D498 WeakPolarHBondContact CE1-OD2 3.48Å; Y470-D498 VanDerWaalsContact CZ-OD2 3.27Å; Y470-D498 PolarHBondContact OH-OD2 2.91Å; R475-D498 IonicContact CZ-OD1 2.64Å; R475-D498 IonicContact CZ-OD2 2.8Å; R475-D498 IonicContact NE-OD1 2.78Å; R475-D498 IonicContact NE-OD2 2.72Å; R475-D498 PolarHBondContact NE-OD2 3.22Å; R475-D498 VanDerWaalsContact NE-OD2 3.16Å; R475-D498 IonicContact NH2-OD1 3.06Å; R475-D498 PolarHBondContact NH2-OD1 3.45Å; R475-D498 IonicContact NH2-OD2 3.05Å; V494-D498 PolarHBondContact O-N 3.4Å; S496-D498 VanDerWaalsContact C-N 3.33Å; S496-D498 PolarHBondContact O-N 2.95Å; D498-G500 PolarHBondContact O-N 3.48Å; D498-S503 WeakPolarHBondContact O-CB 3.49Å; D498-S503 PolarHBondContact O-OG 2.69Å
499	F	77.5	Confident	81.8	Confident	45 Å²	45	32.5 Å²	32.5	20%	0.197	21%	0.21	C	C	.	.	S	Bend	trans	-90.5	85.1	175.4	-175.6	-99.6	0	0	0	110.7	L495 S496 S497 H506 Q527 K530 A531 K534	L495-F499 WeakPolarHBondContact O-CB 3.49Å; L495-F499 PolarHBondContact O-N 3.33Å; S496-F499 WeakPolarHBondContact O-CB 3.49Å; S496-F499 PolarHBondContact O-N 2.6Å; S496-F499 VanDerWaalsContact O-N 3.09Å; S497-F499 VanDerWaalsContact C-N 3.27Å; F499-H506 AromaticContact CD2-CE1 3.76Å; F499-H506 AromaticContact CD2-NE2 3.6Å; F499-Q527 HydrophobicContact CD1-CG 3.75Å; F499-Q527 HydrophobicContact CE1-CG 4.4Å; F499-Q527 PolarHBondContact O-NE2 3.38Å; F499-K530 HydrophobicContact CE1-CB 3.86Å; F499-K530 HydrophobicContact CZ-CB 3.85Å; F499-A531 HydrophobicContact CB-CB 3.67Å; F499-A531 HydrophobicContact CD1-CB 4.27Å; F499-A531 VanDerWaalsContact CD2-CA 3.42Å; F499-A531 HydrophobicContact CD2-CB 3.54Å; F499-A531 VanDerWaalsContact CE2-CA 3.49Å; F499-A531 HydrophobicContact CE2-CB 4.12Å; F499-A531 HydrophobicContact CG-CB 3.59Å; F499-K534 HydrophobicContact CE2-CB 3.93Å; F499-K534 HydrophobicContact CE2-CD 3.55Å; F499-K534 HydrophobicContact CE2-CG 4.35Å; F499-K534 HydrophobicContact CZ-CD 4.18Å
500	G	65.8	Low	81.7	Confident	75 Å²	75	32.5 Å²	32.5	77%	0.773	21%	0.21	S	C	*	.	S	Bend	trans	166	-51.3	175.6	0	0	0	0	0	111.3	D498	D498-G500 PolarHBondContact O-N 3.48Å
501	N	57.5	Low	81.6	Confident	134 Å²	134	32.6 Å²	32.6	72%	0.717	21%	0.211	S	C	*	.	S	Bend	trans	-71.5	172.5	164.5	-69	-32.2	0	0	0	110.7	S503	N501-S503 VanDerWaalsContact C-N 3.27Å; N501-S503 PolarHBondContact O-N 3.08Å
502	T	64.1	Low	81.8	Confident	146 Å²	146	32.6 Å²	32.6	90%	0.896	21%	0.211	S	C	*	.			trans	-60	83.6	178.4	37.3	0	0	0	0	112	P504	T502-P504 WeakPolarHBondContact O-CD 3.22Å
503	S	74.2	Confident	82.2	Confident	16 Å²	16	32.3 Å²	32.3	11%	0.112	21%	0.21	C	C	.	.			trans	-70.5	119.1	-164.8	-161.5	0	0	0	0	111.8	D498 N501 L505 H506 G507	D498-S503 WeakPolarHBondContact O-CB 3.49Å; D498-S503 PolarHBondContact O-OG 2.69Å; N501-S503 VanDerWaalsContact C-N 3.27Å; N501-S503 PolarHBondContact O-N 3.08Å; S503-L505 VanDerWaalsContact C-N 3.32Å; S503-L505 PolarHBondContact O-N 3.12Å; S503-H506 VanDerWaalsContact CB-ND1 3.32Å; S503-H506 WeakPolarHBondContact CB-ND1 3.38Å; S503-H506 PolarHBondContact O-N 3.38Å; S503-H506 PolarHBondContact OG-ND1 3.37Å; S503-G507 PolarHBondContact O-N 3.48Å
504	P	82	Confident	82.8	Confident	7 Å²	7	30 Å²	30	5%	0.045	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-38	-178.2	27	-34	0	0	0	111.2	Y470 R477 L482 T502 H506 G507 I508	Y470-P504 HydrophobicContact CE2-CG 4.38Å; Y470-P504 WeakPolarHBondContact OH-CG 3.28Å; R477-P504 HydrophobicContact CB-CB 4.46Å; R477-P504 HydrophobicContact CB-CG 4.14Å; R477-P504 HydrophobicContact CG-CG 4.31Å; R477-P504 VanDerWaalsContact O-CB 3.3Å; R477-P504 WeakPolarHBondContact O-CB 3.33Å; L482-P504 HydrophobicContact CD1-CB 4.01Å; T502-P504 WeakPolarHBondContact O-CD 3.22Å; P504-H506 PolarHBondContact O-N 3.15Å; P504-G507 PolarHBondContact O-N 3.33Å; P504-I508 WeakPolarHBondContact O-CD1 3.26Å; P504-I508 WeakPolarHBondContact O-CG1 3.47Å
505	L	86.4	Confident	83.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-65.5	-34	179.6	-59.4	178.2	0	0	0	113.6	L440 Y470 L482 T490 L495 S503 W510	L440-L505 HydrophobicContact CD1-CD2 4.34Å; Y470-L505 HydrophobicContact CD1-CD1 3.9Å; Y470-L505 HydrophobicContact CD1-CD2 4.23Å; Y470-L505 HydrophobicContact CD1-CG 4.35Å; Y470-L505 HydrophobicContact CE1-CD1 3.74Å; Y470-L505 HydrophobicContact CE1-CD2 4.3Å; Y470-L505 HydrophobicContact CE1-CG 4.02Å; Y470-L505 HydrophobicContact CG-CD2 4.38Å; L482-L505 HydrophobicContact CD1-CD2 4.25Å; T490-L505 HydrophobicContact CG2-CD1 4.28Å; L495-L505 HydrophobicContact CD1-CD1 4.09Å; S503-L505 VanDerWaalsContact C-N 3.32Å; S503-L505 PolarHBondContact O-N 3.12Å; L505-W510 HydrophobicContact CD2-CH2 4.26Å; L505-W510 HydrophobicContact CD2-CZ2 3.82Å; L505-W510 PolarHBondContact O-NE1 2.93Å
506	H	89.3	Confident	83.5	Confident	24 Å²	24	29.9 Å²	29.9	11%	0.111	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-85	-14.6	178.5	-61.4	83	0	0	0	113	F499 S503 P504 I508 A531	F499-H506 AromaticContact CD2-CE1 3.76Å; F499-H506 AromaticContact CD2-NE2 3.6Å; S503-H506 VanDerWaalsContact CB-ND1 3.32Å; S503-H506 WeakPolarHBondContact CB-ND1 3.38Å; S503-H506 PolarHBondContact O-N 3.38Å; S503-H506 PolarHBondContact OG-ND1 3.37Å; P504-H506 PolarHBondContact O-N 3.15Å; H506-I508 VanDerWaalsContact C-N 3.31Å; H506-A531 PolarHBondContact NE2-O 2.87Å
507	G	83.5	Confident	83.5	Confident	34 Å²	34	30.4 Å²	30.4	35%	0.351	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-85.9	3	176.6	0	0	0	0	0	114.5	S503 P504	S503-G507 PolarHBondContact O-N 3.48Å; P504-G507 PolarHBondContact O-N 3.33Å
508	I	87.1	Confident	83.6	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	-113.3	140.9	-179.6	-63.8	164.8	0	0	0	108.5	A436 K479 L482 P504 H506 W510	A436-I508 HydrophobicContact CB-CG2 3.6Å; K479-I508 HydrophobicContact CB-CG1 4.28Å; K479-I508 HydrophobicContact CG-CG1 4.47Å; L482-I508 HydrophobicContact CB-CD1 3.54Å; L482-I508 HydrophobicContact CD1-CD1 4.12Å; P504-I508 WeakPolarHBondContact O-CD1 3.26Å; P504-I508 WeakPolarHBondContact O-CG1 3.47Å; H506-I508 VanDerWaalsContact C-N 3.31Å; I508-W510 HydrophobicContact CB-CZ2 4.09Å; I508-W510 HydrophobicContact CD1-CH2 4.04Å; I508-W510 HydrophobicContact CD1-CZ2 3.77Å; I508-W510 HydrophobicContact CG2-CD2 3.91Å; I508-W510 HydrophobicContact CG2-CE3 4.28Å; I508-W510 HydrophobicContact CG2-CG 4.32Å; I508-W510 HydrophobicContact CG2-CH2 4.48Å; I508-W510 HydrophobicContact CG2-CZ2 4.12Å
509	N	88.8	Confident	83.5	Confident	38 Å²	38	28.6 Å²	28.6	20%	0.203	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-95.9	100.5	171.2	-171	5.9	0	0	0	109.1	A436	A436-N509 PolarHBondContact N-O 2.9Å
510	W	90.9	Very high	83.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.1	-172.2	-59.9	94.1	0	0	0	112.3	A438 L440 L482 V488 L505 I508 R512 V513 K536 A537 Q538	A438-W510 HydrophobicContact CB-CE3 3.7Å; A438-W510 HydrophobicContact CB-CZ3 3.57Å; L440-W510 HydrophobicContact CB-CD2 3.72Å; L440-W510 HydrophobicContact CB-CE3 3.73Å; L440-W510 HydrophobicContact CB-CG 4.19Å; L440-W510 HydrophobicContact CB-CH2 4.41Å; L440-W510 HydrophobicContact CB-CZ2 4.39Å; L440-W510 HydrophobicContact CB-CZ3 4.08Å; L440-W510 HydrophobicContact CD1-CH2 4.21Å; L440-W510 HydrophobicContact CD1-CZ2 4.22Å; L440-W510 HydrophobicContact CD2-CD2 4.31Å; L440-W510 HydrophobicContact CD2-CZ2 4.14Å; L440-W510 HydrophobicContact CG-CZ2 4.5Å; L482-W510 HydrophobicContact CB-CH2 4.49Å; V488-W510 HydrophobicContact CB-CH2 4.03Å; V488-W510 HydrophobicContact CB-CZ3 4.04Å; V488-W510 HydrophobicContact CG1-CH2 4.32Å; V488-W510 HydrophobicContact CG2-CH2 3.93Å; V488-W510 HydrophobicContact CG2-CZ3 3.86Å; L505-W510 HydrophobicContact CD2-CH2 4.26Å; L505-W510 HydrophobicContact CD2-CZ2 3.82Å; L505-W510 PolarHBondContact O-NE1 2.93Å; I508-W510 HydrophobicContact CB-CZ2 4.09Å; I508-W510 HydrophobicContact CD1-CH2 4.04Å; I508-W510 HydrophobicContact CD1-CZ2 3.77Å; I508-W510 HydrophobicContact CG2-CD2 3.91Å; I508-W510 HydrophobicContact CG2-CE3 4.28Å; I508-W510 HydrophobicContact CG2-CG 4.32Å; I508-W510 HydrophobicContact CG2-CH2 4.48Å; I508-W510 HydrophobicContact CG2-CZ2 4.12Å; W510-R512 VanDerWaalsContact C-N 3.34Å; W510-V513 HydrophobicContact CB-CG2 3.99Å; W510-V513 HydrophobicContact CG-CG2 4.19Å; W510-K536 VanDerWaalsContact CD1-O 3.27Å; W510-K536 PolarHBondContact N-O 3.38Å; W510-A537 HydrophobicContact CB-CB 4.41Å; W510-A537 CarbonylContact O-C 3.23Å; W510-A537 VanDerWaalsContact O-CA 3.28Å; W510-A537 WeakPolarHBondContact O-CA 3.46Å; W510-Q538 PolarHBondContact O-N 3.1Å
511	L	89	Confident	84.6	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-45.8	171	176.6	60.3	0	0	0	110.5	F299 H300 A436 K437 A438 R539	F299-L511 HydrophobicContact CD2-CD2 4.24Å; F299-L511 HydrophobicContact CE2-CD2 4.12Å; F299-L511 HydrophobicContact CZ-CD2 4.47Å; H300-L511 HydrophobicContact CB-CD2 4.01Å; A436-L511 PolarHBondContact O-N 3.05Å; K437-L511 VanDerWaalsContact O-CB 3.31Å; K437-L511 WeakPolarHBondContact O-CB 3.43Å; K437-L511 VanDerWaalsContact O-CD2 3.26Å; K437-L511 WeakPolarHBondContact O-CD2 3.42Å; A438-L511 PolarHBondContact O-N 2.89Å; A438-L511 VanDerWaalsContact O-N 3.14Å; L511-R539 WeakPolarHBondContact O-CB 3.44Å; L511-R539 PolarHBondContact O-N 3.28Å
512	R	91.9	Very high	85.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.6	-179	-174.7	-171.7	-67.4	152.1	4.1	110.3	E242 L294 I295 T439 L440 W510 V514 R539	E242-R512 VanDerWaalsContact CD-NH2 3.34Å; E242-R512 IonicContact OE1-CZ 3.99Å; E242-R512 VanDerWaalsContact OE1-CZ 3.26Å; E242-R512 IonicContact OE1-NE 3.42Å; E242-R512 PolarHBondContact OE1-NE 2.92Å; E242-R512 IonicContact OE1-NH2 3.59Å; E242-R512 PolarHBondContact OE1-NH2 3.49Å; E242-R512 VanDerWaalsContact OE1-NH2 3.16Å; E242-R512 IonicContact OE2-CZ 3.44Å; E242-R512 IonicContact OE2-NE 3.76Å; E242-R512 IonicContact OE2-NH2 2.84Å; E242-R512 PolarHBondContact OE2-NH2 3.38Å; L294-R512 PolarHBondContact O-NH1 3.21Å; L294-R512 PolarHBondContact O-NH2 2.92Å; I295-R512 VanDerWaalsContact N-NH1 3.2Å; T439-R512 CarbonylContact C-O 3.54Å; T439-R512 WeakPolarHBondContact CA-O 3.48Å; T439-R512 HydrophobicContact CG2-CB 4.01Å; T439-R512 HydrophobicContact CG2-CG 4.2Å; L440-R512 PolarHBondContact N-O 3.34Å; W510-R512 VanDerWaalsContact C-N 3.34Å; R512-V514 HydrophobicContact CG-CG2 4.09Å; R512-R539 CarbonylContact C-O 3.57Å; R512-R539 VanDerWaalsContact CA-O 3.31Å; R512-R539 WeakPolarHBondContact CA-O 3.31Å; R512-R539 HydrophobicContact CB-CB 4.11Å; R512-R539 HydrophobicContact CG-CB 4.1Å
513	V	94.9	Very high	86.3	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.6	163.5	179.4	0	0	0	0	108.7	L440 W510 L515 L535 A537 R539 R540 W541 F561	L440-V513 HydrophobicContact CB-CG2 4.22Å; L440-V513 HydrophobicContact CD2-CG2 4.35Å; L440-V513 CarbonylContact O-C 3.38Å; L440-V513 WeakPolarHBondContact O-CA 3.45Å; W510-V513 HydrophobicContact CB-CG2 3.99Å; W510-V513 HydrophobicContact CG-CG2 4.19Å; V513-L515 HydrophobicContact CG1-CD2 4.23Å; V513-L535 HydrophobicContact CG1-CD1 3.98Å; V513-L535 HydrophobicContact CG2-CB 4.49Å; V513-A537 HydrophobicContact CB-CB 4.16Å; V513-A537 HydrophobicContact CG2-CB 3.51Å; V513-R539 PolarHBondContact N-O 3.3Å; V513-R540 WeakPolarHBondContact O-CA 3.34Å; V513-W541 PolarHBondContact O-N 2.86Å; V513-F561 HydrophobicContact CB-CZ 4.18Å; V513-F561 HydrophobicContact CG1-CE2 4.3Å; V513-F561 HydrophobicContact CG1-CZ 3.77Å
514	V	95.8	Very high	86.4	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.6	174.4	-174.3	0	0	0	0	108.4	T291 T439 L440 I441 V442 R512 W541 L543	T291-V514 HydrophobicContact CG2-CG1 4.12Å; T291-V514 HydrophobicContact CG2-CG2 4.08Å; T439-V514 HydrophobicContact CG2-CG2 4.2Å; L440-V514 PolarHBondContact O-N 3.45Å; I441-V514 HydrophobicContact CG1-CB 4.39Å; V442-V514 PolarHBondContact N-O 2.9Å; R512-V514 HydrophobicContact CG-CG2 4.09Å; V514-W541 WeakPolarHBondContact CA-O 3.32Å; V514-W541 HydrophobicContact CG1-CB 4.37Å; V514-W541 HydrophobicContact CG2-CB 4.29Å; V514-L543 HydrophobicContact CG1-CD1 3.77Å; V514-L543 HydrophobicContact CG1-CG 3.88Å
515	L	94.9	Very high	86.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.9	168.2	-59.7	-172	0	0	0	108.8	V442 Y492 V513 I521 A532 W541 L543 F561	V442-L515 HydrophobicContact CB-CD2 3.79Å; V442-L515 HydrophobicContact CG1-CD2 4.46Å; V442-L515 HydrophobicContact CG2-CD2 3.97Å; Y492-L515 HydrophobicContact CE1-CD2 4.25Å; V513-L515 HydrophobicContact CG1-CD2 4.23Å; L515-I521 HydrophobicContact CD1-CD1 3.63Å; L515-I521 HydrophobicContact CD1-CG1 4.29Å; L515-A532 HydrophobicContact CD1-CB 4.46Å; L515-W541 PolarHBondContact N-O 3.29Å; L515-L543 PolarHBondContact O-N 3.4Å; L515-F561 HydrophobicContact CD1-CD1 3.82Å; L515-F561 HydrophobicContact CD1-CD2 3.79Å; L515-F561 HydrophobicContact CD1-CE1 3.73Å; L515-F561 HydrophobicContact CD1-CE2 3.73Å; L515-F561 HydrophobicContact CD1-CG 3.83Å; L515-F561 HydrophobicContact CD1-CZ 3.7Å; L515-F561 HydrophobicContact CD2-CE2 4.25Å; L515-F561 HydrophobicContact CD2-CZ 4.1Å; L515-F561 HydrophobicContact CG-CD1 4.36Å; L515-F561 HydrophobicContact CG-CE1 3.77Å; L515-F561 HydrophobicContact CG-CE2 4.01Å; L515-F561 HydrophobicContact CG-CZ 3.58Å
516	D	91.9	Very high	85.8	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.032	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	139.2	173.2	-169.7	31.6	0	0	0	110.4	V442 C443 W451 Y492 G518	V442-D516 PolarHBondContact O-N 3.25Å; C443-D516 HydrophobicContact CB-CB 3.8Å; W451-D516 HydrophobicContact CZ2-CB 4.17Å; W451-D516 PolarHBondContact NE1-OD2 3.42Å; Y492-D516 VanDerWaalsContact CE2-O 3.29Å; Y492-D516 WeakPolarHBondContact CE2-O 3.33Å; Y492-D516 PolarHBondContact OH-O 2.94Å; D516-G518 VanDerWaalsContact C-N 3.32Å; D516-G518 PolarHBondContact O-N 3.18Å
517	E	85.3	Confident	85.3	Confident	29 Å²	29	28.2 Å²	28.2	14%	0.136	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	53.2	-162.9	-60.5	-58.7	170.9	0	0	113.4	M283 P444 H519 V520 L543 G545	M283-E517 WeakPolarHBondContact CE-OE1 3.39Å; P444-E517 HydrophobicContact CG-CB 3.93Å; P444-E517 HydrophobicContact CG-CG 4.22Å; E517-H519 PolarHBondContact O-N 2.89Å; E517-H519 IonicContact OE2-CE1 2.69Å; E517-H519 PolarHBondContact OE2-CE1 3.24Å; E517-H519 IonicContact OE2-ND1 3.53Å; E517-H519 PolarHBondContact OE2-ND1 3.31Å; E517-V520 VanDerWaalsContact O-CG2 3.31Å; E517-V520 WeakPolarHBondContact O-CG2 3.38Å; E517-V520 PolarHBondContact O-N 3.16Å; E517-V520 VanDerWaalsContact O-N 3.1Å; E517-L543 CarbonylContact C-O 3.6Å; E517-L543 VanDerWaalsContact CA-O 3.32Å; E517-L543 WeakPolarHBondContact CA-O 3.5Å; E517-L543 PolarHBondContact N-O 2.8Å; E517-G545 PolarHBondContact OE2-N 3.08Å
518	G	83.8	Confident	85.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-61.8	-6.4	-172.6	0	0	0	0	0	116.5	D516 V520 I521 L543 L558	D516-G518 VanDerWaalsContact C-N 3.32Å; D516-G518 PolarHBondContact O-N 3.18Å; G518-V520 PolarHBondContact O-N 3.31Å; G518-I521 WeakPolarHBondContact O-CG1 3.35Å; G518-I521 PolarHBondContact O-N 3.02Å; G518-L543 PolarHBondContact N-O 2.99Å; G518-L558 WeakPolarHBondContact O-CD2 3.31Å
519	H	79.8	Confident	85.4	Confident	42 Å²	42	27.8 Å²	27.8	19%	0.194	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-62.3	-18	169	63.4	-101.6	0	0	0	113	E517 I521 R522 S544 Q549	E517-H519 PolarHBondContact O-N 2.89Å; E517-H519 IonicContact OE2-CE1 2.69Å; E517-H519 PolarHBondContact OE2-CE1 3.24Å; E517-H519 IonicContact OE2-ND1 3.53Å; E517-H519 PolarHBondContact OE2-ND1 3.31Å; H519-I521 PolarHBondContact O-N 3.09Å; H519-R522 VanDerWaalsContact O-CB 3.31Å; H519-R522 WeakPolarHBondContact O-CB 3.34Å; H519-R522 WeakPolarHBondContact O-CG 3.46Å; H519-R522 PolarHBondContact O-N 2.75Å; H519-S544 PolarHBondContact ND1-OG 3.03Å; H519-Q549 PolarHBondContact CD2-NE2 3Å
520	V	82.6	Confident	85.3	Confident	49 Å²	49	30.4 Å²	30.4	30%	0.297	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-55.4	-34.9	172.8	170.4	0	0	0	0	112.4	Y492 E517 G518 R522 M528	Y492-V520 HydrophobicContact CD1-CG1 4.23Å; Y492-V520 HydrophobicContact CD2-CG1 4.1Å; Y492-V520 HydrophobicContact CE1-CG1 4.46Å; Y492-V520 HydrophobicContact CE2-CB 4.28Å; Y492-V520 HydrophobicContact CE2-CG1 4.34Å; Y492-V520 HydrophobicContact CE2-CG2 4.39Å; Y492-V520 HydrophobicContact CG-CG1 4.05Å; E517-V520 VanDerWaalsContact O-CG2 3.31Å; E517-V520 WeakPolarHBondContact O-CG2 3.38Å; E517-V520 PolarHBondContact O-N 3.16Å; E517-V520 VanDerWaalsContact O-N 3.1Å; G518-V520 PolarHBondContact O-N 3.31Å; V520-R522 VanDerWaalsContact C-N 3.27Å; V520-R522 PolarHBondContact O-N 2.9Å; V520-M528 HydrophobicContact CG1-SD 3.66Å
521	I	83.6	Confident	85.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-85.8	15.3	-178.2	63.6	155	0	0	0	114.4	Y492 L515 G518 H519 N523 S529 A532 M557 L558 F561	Y492-I521 HydrophobicContact CD1-CG2 4.21Å; Y492-I521 HydrophobicContact CE1-CG2 3.86Å; L515-I521 HydrophobicContact CD1-CD1 3.63Å; L515-I521 HydrophobicContact CD1-CG1 4.29Å; G518-I521 WeakPolarHBondContact O-CG1 3.35Å; G518-I521 PolarHBondContact O-N 3.02Å; H519-I521 PolarHBondContact O-N 3.09Å; I521-N523 PolarHBondContact O-N 2.78Å; I521-N523 VanDerWaalsContact O-N 3.15Å; I521-S529 PolarHBondContact O-OG 3.34Å; I521-A532 HydrophobicContact CG2-CB 3.96Å; I521-M557 WeakPolarHBondContact O-CB 3.47Å; I521-M557 WeakPolarHBondContact O-CE 3.4Å; I521-L558 HydrophobicContact CD1-CD2 4.45Å; I521-L558 HydrophobicContact CG1-CD2 4.21Å; I521-F561 HydrophobicContact CD1-CB 4.08Å; I521-F561 HydrophobicContact CD1-CG 4.43Å
522	R	79.9	Confident	85.3	Confident	82 Å²	82	30.3 Å²	30.3	31%	0.309	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-55.1	-30	-178.8	65.4	-174.9	-173.2	-171.7	4.2	114.8	H519 V520 P524 D554 M557 E716	H519-R522 VanDerWaalsContact O-CB 3.31Å; H519-R522 WeakPolarHBondContact O-CB 3.34Å; H519-R522 WeakPolarHBondContact O-CG 3.46Å; H519-R522 PolarHBondContact O-N 2.75Å; V520-R522 VanDerWaalsContact C-N 3.27Å; V520-R522 PolarHBondContact O-N 2.9Å; R522-P524 WeakPolarHBondContact O-CD 3.24Å; R522-D554 HydrophobicContact CB-CB 4.38Å; R522-M557 WeakPolarHBondContact O-CG 3.29Å; R522-E716 IonicContact NH2-OE1 3.8Å; R522-E716 PolarHBondContact NH2-OE1 3.18Å
523	N	77.4	Confident	85.2	Confident	41 Å²	41	32 Å²	32	22%	0.219	16%	0.16	C	C	.	.			trans	-91.5	114.5	-177.2	-176.8	-9.8	0	0	0	111.4	I521 N525 A526 S529 L721	I521-N523 PolarHBondContact O-N 2.78Å; I521-N523 VanDerWaalsContact O-N 3.15Å; N523-N525 VanDerWaalsContact C-N 3.26Å; N523-N525 PolarHBondContact O-N 3.21Å; N523-N525 WeakPolarHBondContact OD1-CB 3.32Å; N523-N525 PolarHBondContact OD1-N 3.07Å; N523-A526 HydrophobicContact CB-CB 4.16Å; N523-A526 PolarHBondContact O-N 3.5Å; N523-S529 WeakPolarHBondContact O-CB 3.42Å; N523-S529 PolarHBondContact O-OG 3.48Å; N523-L721 WeakPolarHBondContact ND2-CD1 3.35Å
524	P	75.4	Confident	85	Confident	41 Å²	41	38.5 Å²	38.5	27%	0.266	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.1	179.1	26.2	-34.9	0	0	0	114.2	R522 K530 W556 M557	R522-P524 WeakPolarHBondContact O-CD 3.24Å; P524-K530 WeakPolarHBondContact O-CE 3.48Å; P524-W556 HydrophobicContact CB-CZ3 3.98Å; P524-M557 HydrophobicContact CB-CE 4.39Å; P524-M557 HydrophobicContact CB-CG 4.43Å; P524-M557 HydrophobicContact CB-SD 3.59Å; P524-M557 VanDerWaalsContact CB-SD 3.59Å
525	N	77.5	Confident	84.8	Confident	116 Å²	116	38.6 Å²	38.6	62%	0.62	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-22.5	-175.7	-70.1	-28.3	0	0	0	112.6	N523 K530	N523-N525 VanDerWaalsContact C-N 3.26Å; N523-N525 PolarHBondContact O-N 3.21Å; N523-N525 WeakPolarHBondContact OD1-CB 3.32Å; N523-N525 PolarHBondContact OD1-N 3.07Å; N525-K530 WeakPolarHBondContact O-CE 3.46Å; N525-K530 PolarHBondContact O-NZ 3.14Å
526	A	77.6	Confident	84.6	Confident	15 Å²	15	44 Å²	44	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	-66.4	140.5	-179.4	0	0	0	0	0	112.5	N523 M528 S529 K530	N523-A526 HydrophobicContact CB-CB 4.16Å; N523-A526 PolarHBondContact O-N 3.5Å; A526-M528 VanDerWaalsContact C-N 3.32Å; A526-M528 HydrophobicContact CB-CG 4.21Å; A526-M528 PolarHBondContact O-N 3.4Å; A526-S529 PolarHBondContact O-N 3.38Å; A526-K530 PolarHBondContact O-N 3.18Å; A526-K530 VanDerWaalsContact O-N 3.12Å
527	Q	80.9	Confident	84.5	Confident	95 Å²	95	44.3 Å²	44.3	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-37.4	-178.4	-172.3	178.4	-10.1	0	0	112.2	S496 F499 S529 K530 A531	S496-Q527 PolarHBondContact O-NE2 2.86Å; S496-Q527 VanDerWaalsContact O-NE2 3.11Å; S496-Q527 WeakPolarHBondContact OG-CB 3.43Å; S496-Q527 WeakPolarHBondContact OG-CG 3.3Å; F499-Q527 HydrophobicContact CD1-CG 3.75Å; F499-Q527 HydrophobicContact CE1-CG 4.4Å; F499-Q527 PolarHBondContact O-NE2 3.38Å; Q527-S529 VanDerWaalsContact C-N 3.33Å; Q527-S529 PolarHBondContact O-N 3.07Å; Q527-K530 PolarHBondContact O-N 2.84Å; Q527-A531 WeakPolarHBondContact O-CB 3.31Å; Q527-A531 PolarHBondContact O-N 2.84Å
528	M	84.6	Confident	84.6	Confident	26 Å²	26	45.8 Å²	45.8	13%	0.128	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-39.4	176.5	66.9	-177.5	85.4	0	0	112.7	S496 V520 A526 A531 A532 D722	S496-M528 PolarHBondContact OG-N 2.71Å; V520-M528 HydrophobicContact CG1-SD 3.66Å; A526-M528 VanDerWaalsContact C-N 3.32Å; A526-M528 HydrophobicContact CB-CG 4.21Å; A526-M528 PolarHBondContact O-N 3.4Å; M528-A531 WeakPolarHBondContact O-CB 3.4Å; M528-A531 PolarHBondContact O-N 2.96Å; M528-A532 PolarHBondContact O-N 3.39Å; M528-D722 HydrophobicContact CE-CB 4.37Å
529	S	86.1	Confident	84.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.8	-43	177.8	-43.9	0	0	0	0	111.3	I521 N523 A526 Q527 A531 A532 L533	I521-S529 PolarHBondContact O-OG 3.34Å; N523-S529 WeakPolarHBondContact O-CB 3.42Å; N523-S529 PolarHBondContact O-OG 3.48Å; A526-S529 PolarHBondContact O-N 3.38Å; Q527-S529 VanDerWaalsContact C-N 3.33Å; Q527-S529 PolarHBondContact O-N 3.07Å; S529-A531 PolarHBondContact O-N 3.08Å; S529-A532 PolarHBondContact O-N 2.99Å; S529-L533 WeakPolarHBondContact O-CG 3.41Å; S529-L533 PolarHBondContact O-N 2.95Å
530	K	87.4	Confident	85.5	Confident	94 Å²	94	46.1 Å²	46.1	41%	0.409	22%	0.222	S	C	.	.	H	α-helix	trans	-59.6	-35.9	173.4	-71	167	174.8	163.7	0	111.9	F499 P524 N525 A526 Q527 K534	F499-K530 HydrophobicContact CE1-CB 3.86Å; F499-K530 HydrophobicContact CZ-CB 3.85Å; P524-K530 WeakPolarHBondContact O-CE 3.48Å; N525-K530 WeakPolarHBondContact O-CE 3.46Å; N525-K530 PolarHBondContact O-NZ 3.14Å; A526-K530 PolarHBondContact O-N 3.18Å; A526-K530 VanDerWaalsContact O-N 3.12Å; Q527-K530 PolarHBondContact O-N 2.84Å; K530-K534 WeakPolarHBondContact O-CB 3.45Å; K530-K534 PolarHBondContact O-N 2.85Å
531	A	89.1	Confident	86.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-54	172.8	0	0	0	0	0	111.9	L495 F499 H506 Q527 M528 S529 L533 K534 L535	L495-A531 HydrophobicContact CD1-CB 4.46Å; L495-A531 HydrophobicContact CD2-CB 4.34Å; L495-A531 HydrophobicContact CG-CB 3.88Å; F499-A531 HydrophobicContact CB-CB 3.67Å; F499-A531 HydrophobicContact CD1-CB 4.27Å; F499-A531 VanDerWaalsContact CD2-CA 3.42Å; F499-A531 HydrophobicContact CD2-CB 3.54Å; F499-A531 VanDerWaalsContact CE2-CA 3.49Å; F499-A531 HydrophobicContact CE2-CB 4.12Å; F499-A531 HydrophobicContact CG-CB 3.59Å; H506-A531 PolarHBondContact NE2-O 2.87Å; Q527-A531 WeakPolarHBondContact O-CB 3.31Å; Q527-A531 PolarHBondContact O-N 2.84Å; M528-A531 WeakPolarHBondContact O-CB 3.4Å; M528-A531 PolarHBondContact O-N 2.96Å; S529-A531 PolarHBondContact O-N 3.08Å; A531-L533 VanDerWaalsContact C-N 3.3Å; A531-L533 PolarHBondContact O-N 2.9Å; A531-K534 PolarHBondContact O-N 3.06Å; A531-L535 PolarHBondContact O-N 3.11Å
532	A	90.9	Very high	86.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.7	-43	178.5	0	0	0	0	0	112.8	L495 L515 I521 M528 S529 K534 L535 F561	L495-A532 HydrophobicContact CD2-CB 4.36Å; L515-A532 HydrophobicContact CD1-CB 4.46Å; I521-A532 HydrophobicContact CG2-CB 3.96Å; M528-A532 PolarHBondContact O-N 3.39Å; S529-A532 PolarHBondContact O-N 2.99Å; A532-K534 VanDerWaalsContact C-N 3.29Å; A532-K534 PolarHBondContact O-N 3.06Å; A532-L535 PolarHBondContact O-N 3.46Å; A532-F561 WeakPolarHBondContact O-CE2 3.38Å
533	L	90	Very high	87.1	Confident	35 Å²	35	39.9 Å²	39.9	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-28.2	176.7	-71.8	-177.9	0	0	0	114.1	S529 A531 M557 A560 F561 R563	S529-L533 WeakPolarHBondContact O-CG 3.41Å; S529-L533 PolarHBondContact O-N 2.95Å; A531-L533 VanDerWaalsContact C-N 3.3Å; A531-L533 PolarHBondContact O-N 2.9Å; L533-M557 HydrophobicContact CD1-CE 3.64Å; L533-M557 HydrophobicContact CD1-SD 4.24Å; L533-M557 HydrophobicContact CD2-CE 4.43Å; L533-M557 HydrophobicContact CG-CE 4.05Å; L533-A560 HydrophobicContact CD2-CB 3.89Å; L533-F561 HydrophobicContact CD2-CB 3.95Å; L533-F561 VanDerWaalsContact CD2-N 3.3Å; L533-R563 PolarHBondContact O-NH2 2.88Å
534	K	90.4	Very high	87.5	Confident	137 Å²	137	38 Å²	38	60%	0.596	18%	0.183	S	C	*	.	H	α-helix	trans	-86	-5.2	-176.6	-160.9	173.1	-172.2	176.7	0	113.1	F499 K530 A531 A532 K536	F499-K534 HydrophobicContact CE2-CB 3.93Å; F499-K534 HydrophobicContact CE2-CD 3.55Å; F499-K534 HydrophobicContact CE2-CG 4.35Å; F499-K534 HydrophobicContact CZ-CD 4.18Å; K530-K534 WeakPolarHBondContact O-CB 3.45Å; K530-K534 PolarHBondContact O-N 2.85Å; A531-K534 PolarHBondContact O-N 3.06Å; A532-K534 VanDerWaalsContact C-N 3.29Å; A532-K534 PolarHBondContact O-N 3.06Å; K534-K536 PolarHBondContact O-N 2.76Å
535	L	91.4	Very high	87.4	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	17%	0.174	C	C	.	.			trans	-65.6	126.6	176.8	-69.6	172.1	0	0	0	112.2	L440 L495 V513 A531 A532 R540	L440-L535 HydrophobicContact CD2-CD1 4.02Å; L440-L535 HydrophobicContact CD2-CD2 4.06Å; L495-L535 HydrophobicContact CD1-CD1 4.3Å; L495-L535 HydrophobicContact CD1-CD2 4.04Å; L495-L535 HydrophobicContact CD1-CG 4.44Å; L495-L535 HydrophobicContact CD2-CD1 4.1Å; V513-L535 HydrophobicContact CG1-CD1 3.98Å; V513-L535 HydrophobicContact CG2-CB 4.49Å; A531-L535 PolarHBondContact O-N 3.11Å; A532-L535 PolarHBondContact O-N 3.46Å; L535-R540 PolarHBondContact O-NH2 3.44Å
536	K	90.3	Very high	87	Confident	115 Å²	115	33.8 Å²	33.8	50%	0.5	16%	0.163	S	C	.	.			trans	-81.7	118.7	173.8	-67	-175.9	174.9	-170.5	0	109.7	W510 K534	W510-K536 VanDerWaalsContact CD1-O 3.27Å; W510-K536 PolarHBondContact N-O 3.38Å; K534-K536 PolarHBondContact O-N 2.76Å
537	A	90.8	Very high	86.1	Confident	11 Å²	11	33.5 Å²	33.5	9%	0.091	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.2	-177.5	0	0	0	0	0	112.2	W510 V513 R540	W510-A537 HydrophobicContact CB-CB 4.41Å; W510-A537 CarbonylContact O-C 3.23Å; W510-A537 VanDerWaalsContact O-CA 3.28Å; W510-A537 WeakPolarHBondContact O-CA 3.46Å; V513-A537 HydrophobicContact CB-CB 4.16Å; V513-A537 HydrophobicContact CG2-CB 3.51Å; A537-R540 HydrophobicContact CB-CG 4.09Å; A537-R540 VanDerWaalsContact O-CZ 3.26Å; A537-R540 PolarHBondContact O-NH1 2.63Å; A537-R540 PolarHBondContact O-NH2 3.49Å; A537-R540 VanDerWaalsContact O-NH2 3.16Å
538	Q	87.8	Confident	85.4	Confident	60 Å²	60	30.6 Å²	30.6	28%	0.28	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-35.3	173.9	-55.7	-176.3	18.6	0	0	113.1	W510	W510-Q538 PolarHBondContact O-N 3.1Å
539	R	89.6	Confident	84	Confident	15 Å²	15	31.9 Å²	31.9	6%	0.057	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.2	179.3	-63.8	157.2	163.9	-169.1	-4.4	109.2	E242 N243 R275 N298 L511 R512 V513	E242-R539 HydrophobicContact CG-CG 4.11Å; E242-R539 WeakPolarHBondContact OE1-CD 3.42Å; E242-R539 IonicContact OE2-CZ 3.01Å; E242-R539 VanDerWaalsContact OE2-CZ 3.28Å; E242-R539 IonicContact OE2-NE 2.67Å; E242-R539 IonicContact OE2-NH1 2.83Å; E242-R539 PolarHBondContact OE2-NH1 2.92Å; E242-R539 VanDerWaalsContact OE2-NH1 3.08Å; E242-R539 IonicContact OE2-NH2 2.74Å; N243-R539 PolarHBondContact OD1-NH2 3.13Å; R275-R539 HydrophobicContact CB-CB 4.48Å; R275-R539 HydrophobicContact CB-CG 3.99Å; R275-R539 WeakPolarHBondContact O-CA 3.35Å; N298-R539 PolarHBondContact ND2-NH2 2.89Å; N298-R539 PolarHBondContact O-NH1 2.9Å; L511-R539 WeakPolarHBondContact O-CB 3.44Å; L511-R539 PolarHBondContact O-N 3.28Å; R512-R539 CarbonylContact C-O 3.57Å; R512-R539 VanDerWaalsContact CA-O 3.31Å; R512-R539 WeakPolarHBondContact CA-O 3.31Å; R512-R539 HydrophobicContact CB-CB 4.11Å; R512-R539 HydrophobicContact CG-CB 4.1Å; V513-R539 PolarHBondContact N-O 3.3Å
540	R	92.8	Very high	82.4	Confident	35 Å²	35	37.5 Å²	37.5	13%	0.132	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.8	-177	-67.4	-173	-179.3	73.7	2.8	111.6	R275 G276 G277 V513 L535 A537 F561 L562	R275-R540 PolarHBondContact O-N 3.47Å; G276-R540 CarbonylContact C-O 3.56Å; G276-R540 VanDerWaalsContact CA-O 3.32Å; G276-R540 WeakPolarHBondContact CA-O 3.26Å; G277-R540 PolarHBondContact N-O 2.81Å; G277-R540 VanDerWaalsContact N-O 3.13Å; V513-R540 WeakPolarHBondContact O-CA 3.34Å; L535-R540 PolarHBondContact O-NH2 3.44Å; A537-R540 HydrophobicContact CB-CG 4.09Å; A537-R540 VanDerWaalsContact O-CZ 3.26Å; A537-R540 PolarHBondContact O-NH1 2.63Å; A537-R540 PolarHBondContact O-NH2 3.49Å; A537-R540 VanDerWaalsContact O-NH2 3.16Å; R540-F561 HydrophobicContact CB-CD1 4.37Å; R540-F561 HydrophobicContact CB-CE1 3.8Å; R540-F561 HydrophobicContact CB-CZ 4.3Å; R540-F561 WeakPolarHBondContact CD-O 3.27Å; R540-F561 HydrophobicContact CG-CE1 4.2Å; R540-F561 HydrophobicContact CG-CZ 4.24Å; R540-F561 PolarHBondContact NE-O 2.66Å; R540-L562 HydrophobicContact CB-CD2 3.98Å; R540-L562 WeakPolarHBondContact O-CD2 3.45Å
541	W	94.5	Very high	81.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.2	179.6	-74.4	105.3	0	0	0	111.4	W237 M238 R241 E242 G277 L294 V513 V514 L515	W237-W541 HydrophobicContact CE3-CH2 4.16Å; W237-W541 HydrophobicContact CE3-CZ3 4.28Å; W237-W541 HydrophobicContact CH2-CH2 4.31Å; W237-W541 AromaticContact CH2-CZ3 3.87Å; W237-W541 HydrophobicContact CH2-CZ3 3.87Å; W237-W541 AromaticContact CZ3-CH2 3.77Å; W237-W541 HydrophobicContact CZ3-CH2 3.77Å; W237-W541 AromaticContact CZ3-CZ3 3.46Å; W237-W541 HydrophobicContact CZ3-CZ3 3.46Å; W237-W541 VanDerWaalsContact CZ3-CZ3 3.46Å; M238-W541 HydrophobicContact CB-CH2 3.81Å; M238-W541 HydrophobicContact CB-CZ2 3.67Å; M238-W541 HydrophobicContact CE-CD2 3.58Å; M238-W541 HydrophobicContact CE-CE3 3.58Å; M238-W541 HydrophobicContact CE-CG 4.14Å; M238-W541 HydrophobicContact CE-CH2 4.19Å; M238-W541 HydrophobicContact CE-CZ2 4.17Å; M238-W541 HydrophobicContact CE-CZ3 3.91Å; M238-W541 HydrophobicContact CG-CH2 3.57Å; M238-W541 HydrophobicContact CG-CZ2 3.85Å; M238-W541 HydrophobicContact CG-CZ3 3.99Å; R241-W541 HydrophobicContact CB-CH2 3.95Å; R241-W541 HydrophobicContact CB-CZ2 4.18Å; R241-W541 HydrophobicContact CG-CH2 4.45Å; E242-W541 HydrophobicContact CG-CZ2 4.11Å; E242-W541 PolarHBondContact OE1-NE1 3.4Å; G277-W541 VanDerWaalsContact N-CZ3 3.31Å; G277-W541 WeakPolarHBondContact O-CA 3.48Å; L294-W541 HydrophobicContact CD2-CZ2 4.31Å; V513-W541 PolarHBondContact O-N 2.86Å; V514-W541 WeakPolarHBondContact CA-O 3.32Å; V514-W541 HydrophobicContact CG1-CB 4.37Å; V514-W541 HydrophobicContact CG2-CB 4.29Å; L515-W541 PolarHBondContact N-O 3.29Å
542	I	93.6	Very high	80.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.4	172.8	-58.6	176.9	0	0	0	107.2	G277 I278 L279 L558 F561 L562	G277-I542 PolarHBondContact O-N 2.93Å; I278-I542 CarbonylContact C-O 3.51Å; I278-I542 WeakPolarHBondContact CA-O 3.34Å; I278-I542 HydrophobicContact CG1-CB 4.31Å; I278-I542 HydrophobicContact CG1-CD1 4.33Å; I278-I542 HydrophobicContact CG2-CB 4.26Å; I278-I542 HydrophobicContact CG2-CG2 4.22Å; L279-I542 PolarHBondContact N-O 2.99Å; I542-L558 HydrophobicContact CD1-CB 3.63Å; I542-L558 HydrophobicContact CD1-CD2 4.05Å; I542-L558 HydrophobicContact CD1-CG 4.34Å; I542-L558 HydrophobicContact CG2-CD2 4.35Å; I542-F561 HydrophobicContact CD1-CD1 3.85Å; I542-F561 HydrophobicContact CG1-CD1 3.74Å; I542-F561 HydrophobicContact CG1-CE1 4.08Å; I542-L562 HydrophobicContact CD1-CD1 4.38Å; I542-L562 HydrophobicContact CD1-CD2 4.29Å; I542-L562 HydrophobicContact CD1-CG 4Å; I542-L562 HydrophobicContact CG1-CD2 4.34Å
543	L	91.8	Very high	79.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.4	170.1	-43.1	178.9	0	0	0	107	M238 L279 K287 T291 W451 V514 L515 E517 G518	M238-L543 HydrophobicContact CE-CD2 4.44Å; L279-L543 HydrophobicContact CB-CD2 3.84Å; L279-L543 HydrophobicContact CD2-CD2 4.16Å; K287-L543 HydrophobicContact CD-CB 4.47Å; T291-L543 HydrophobicContact CG2-CD1 4.49Å; T291-L543 WeakPolarHBondContact OG1-CD1 3.5Å; W451-L543 HydrophobicContact CH2-CD1 4.08Å; W451-L543 HydrophobicContact CZ2-CD1 3.94Å; V514-L543 HydrophobicContact CG1-CD1 3.77Å; V514-L543 HydrophobicContact CG1-CG 3.88Å; L515-L543 PolarHBondContact O-N 3.4Å; E517-L543 CarbonylContact C-O 3.6Å; E517-L543 VanDerWaalsContact CA-O 3.32Å; E517-L543 WeakPolarHBondContact CA-O 3.5Å; E517-L543 PolarHBondContact N-O 2.8Å; G518-L543 PolarHBondContact N-O 2.99Å
544	S	84.8	Confident	78.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.			trans	-156.7	134.8	173.7	-173.2	0	0	0	0	109.9	L279 A280 H519 T546	L279-S544 PolarHBondContact O-N 2.92Å; A280-S544 VanDerWaalsContact CA-O 3.3Å; A280-S544 WeakPolarHBondContact CA-O 3.36Å; H519-S544 PolarHBondContact ND1-OG 3.03Å; S544-T546 VanDerWaalsContact C-N 3.25Å; S544-T546 PolarHBondContact O-N 2.9Å; S544-T546 PolarHBondContact OG-N 2.99Å; S544-T546 PolarHBondContact OG-O 2.91Å
545	G	73.4	Confident	77.7	Confident	8 Å²	8	33.5 Å²	33.5	8%	0.082	17%	0.171	C	C	.	.	S	Bend	trans	-67.4	-28.2	170.4	0	0	0	0	0	113.2	E517	E517-G545 PolarHBondContact OE2-N 3.08Å
546	T	68.8	Low	77.4	Confident	62 Å²	62	35.1 Å²	35.1	38%	0.38	18%	0.177	S	C	.	.			trans	-130.3	92.6	-179.9	46.8	0	0	0	0	109.1	S544 I548 Q549	S544-T546 VanDerWaalsContact C-N 3.25Å; S544-T546 PolarHBondContact O-N 2.9Å; S544-T546 PolarHBondContact OG-N 2.99Å; S544-T546 PolarHBondContact OG-O 2.91Å; T546-I548 VanDerWaalsContact C-N 3.32Å; T546-Q549 PolarHBondContact OG1-NE2 3.1Å; T546-Q549 VanDerWaalsContact OG1-NE2 3.1Å
547	P	60.1	Low	77.2	Confident	9 Å²	9	29.6 Å²	29.6	6%	0.058	15%	0.153	C	C	.	.	S	Bend	trans	-73.6	-23.3	-177.6	30.6	-37.4	0	0	0	113.2	F206 I278 A280 L558	F206-P547 HydrophobicContact CE1-CG 4.07Å; F206-P547 HydrophobicContact CZ-CG 4.32Å; I278-P547 HydrophobicContact CG2-CB 4.41Å; A280-P547 HydrophobicContact CB-CB 4.22Å; A280-P547 HydrophobicContact CB-CG 3.78Å; P547-L558 WeakPolarHBondContact O-CD1 3.32Å
548	I	64.7	Low	77.1	Confident	33 Å²	33	29.2 Å²	29.2	17%	0.169	15%	0.149	C	C	.	.			trans	-127.2	133.2	171.7	-55.8	-176.4	0	0	0	106	L205 F206 T546 L555	L205-I548 HydrophobicContact CD2-CD1 4.42Å; F206-I548 HydrophobicContact CE2-CD1 4.31Å; F206-I548 HydrophobicContact CZ-CD1 3.77Å; F206-I548 HydrophobicContact CZ-CG1 4.13Å; T546-I548 VanDerWaalsContact C-N 3.32Å; I548-L555 HydrophobicContact CD1-CD2 4.24Å
549	Q	55.4	Low	77	Confident	54 Å²	54	26.3 Å²	26.3	25%	0.252	14%	0.136	S	C	.	.	S	Bend	trans	-117	-55	-179.6	-70.7	-177.8	-16.5	0	0	111.6	H519 T546	H519-Q549 PolarHBondContact CD2-NE2 3Å; T546-Q549 PolarHBondContact OG1-NE2 3.1Å; T546-Q549 VanDerWaalsContact OG1-NE2 3.1Å
550	N	52.8	Low	76.9	Confident	118 Å²	118	25.9 Å²	25.9	63%	0.631	14%	0.135	S	C	*	.	S	Bend	trans	-125.8	-23.2	-169.8	-63.7	-53.3	0	0	0	113.4	D554	N550-D554 PolarHBondContact N-OD2 3.1Å
551	S	61.5	Low	76.8	Confident	39 Å²	39	24.3 Å²	24.3	27%	0.273	13%	0.129	S	C	.	.			trans	-159	154.2	-177.5	-169	0	0	0	0	113.4	K553 D554	S551-K553 PolarHBondContact O-N 3.42Å; S551-K553 VanDerWaalsContact O-N 3.1Å; S551-K553 WeakPolarHBondContact OG-CG 3.37Å; S551-K553 PolarHBondContact OG-N 3.1Å; S551-D554 PolarHBondContact N-OD2 2.92Å; S551-D554 VanDerWaalsContact O-CB 3.28Å; S551-D554 WeakPolarHBondContact O-CB 3.48Å; S551-D554 PolarHBondContact O-N 2.71Å
552	V	67.6	Low	76.5	Confident	18 Å²	18	24.5 Å²	24.5	11%	0.109	13%	0.131	C	C	.	.	H	α-helix	trans	-50.7	-29.5	163	-176.9	0	0	0	0	111.6	F202 D554 L555 W573 I577 V581	F202-V552 HydrophobicContact CE1-CG2 3.88Å; F202-V552 HydrophobicContact CE2-CG2 4.3Å; F202-V552 HydrophobicContact CZ-CG2 3.38Å; V552-D554 PolarHBondContact O-N 2.88Å; V552-L555 PolarHBondContact O-N 3.01Å; V552-W573 HydrophobicContact CG1-CH2 4.3Å; V552-W573 HydrophobicContact CG1-CZ2 3.62Å; V552-W573 WeakPolarHBondContact O-CZ2 3.31Å; V552-I577 HydrophobicContact CG1-CG2 4.46Å; V552-V581 HydrophobicContact CG2-CG1 4.21Å
553	K	68.2	Low	76.2	Confident	98 Å²	98	29.5 Å²	29.5	43%	0.426	15%	0.149	S	C	.	.	H	α-helix	trans	-56.4	-33	174.2	-65.2	169.5	-177.9	174.3	0	112.9	S551 L555 W556	S551-K553 PolarHBondContact O-N 3.42Å; S551-K553 VanDerWaalsContact O-N 3.1Å; S551-K553 WeakPolarHBondContact OG-CG 3.37Å; S551-K553 PolarHBondContact OG-N 3.1Å; K553-L555 VanDerWaalsContact C-N 3.31Å; K553-L555 PolarHBondContact O-N 3.19Å; K553-W556 PolarHBondContact O-N 3.09Å
554	D	71.8	Confident	75.6	Confident	24 Å²	24	29.7 Å²	29.7	13%	0.128	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-35.4	-178.6	-57.8	-29.7	0	0	0	111.7	R522 N550 S551 V552 W556 M557	R522-D554 HydrophobicContact CB-CB 4.38Å; N550-D554 PolarHBondContact N-OD2 3.1Å; S551-D554 PolarHBondContact N-OD2 2.92Å; S551-D554 VanDerWaalsContact O-CB 3.28Å; S551-D554 WeakPolarHBondContact O-CB 3.48Å; S551-D554 PolarHBondContact O-N 2.71Å; V552-D554 PolarHBondContact O-N 2.88Å; D554-W556 VanDerWaalsContact C-N 3.34Å; D554-W556 PolarHBondContact O-N 3.38Å; D554-M557 PolarHBondContact O-N 2.96Å
555	L	80.1	Confident	75.2	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-29.6	-176.1	-177.7	57.9	0	0	0	112.7	I278 I548 V552 K553 M557 L558 L559 W573 L592 V596	I278-L555 HydrophobicContact CD1-CD1 4.33Å; I548-L555 HydrophobicContact CD1-CD2 4.24Å; V552-L555 PolarHBondContact O-N 3.01Å; K553-L555 VanDerWaalsContact C-N 3.31Å; K553-L555 PolarHBondContact O-N 3.19Å; L555-M557 VanDerWaalsContact C-N 3.29Å; L555-M557 PolarHBondContact O-N 3.48Å; L555-L558 HydrophobicContact CD1-CB 4.45Å; L555-L558 HydrophobicContact CD1-CD1 4.3Å; L555-L558 WeakPolarHBondContact O-CB 3.44Å; L555-L558 PolarHBondContact O-N 2.68Å; L555-L558 VanDerWaalsContact O-N 3.15Å; L555-L559 HydrophobicContact CG-CD1 4.18Å; L555-L559 HydrophobicContact CG-CG 4.34Å; L555-L559 WeakPolarHBondContact O-CG 3.45Å; L555-L559 PolarHBondContact O-N 3.01Å; L555-L559 VanDerWaalsContact O-N 3.08Å; L555-W573 HydrophobicContact CB-CH2 4.27Å; L555-W573 HydrophobicContact CB-CZ2 4.29Å; L555-W573 HydrophobicContact CD2-CH2 3.9Å; L555-W573 HydrophobicContact CG-CH2 4.08Å; L555-L592 HydrophobicContact CD2-CD1 3.68Å; L555-V596 HydrophobicContact CD2-CG2 3.8Å
556	W	85.3	Confident	75.1	Confident	35 Å²	35	33.2 Å²	33.2	13%	0.133	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-41.1	179.5	178.7	58.2	0	0	0	112.6	P524 K553 D554 L558 L559 A560 F567 R570 W573	P524-W556 HydrophobicContact CB-CZ3 3.98Å; K553-W556 PolarHBondContact O-N 3.09Å; D554-W556 VanDerWaalsContact C-N 3.34Å; D554-W556 PolarHBondContact O-N 3.38Å; W556-L558 VanDerWaalsContact C-N 3.28Å; W556-L558 PolarHBondContact O-N 3.26Å; W556-L559 WeakPolarHBondContact O-CB 3.35Å; W556-L559 PolarHBondContact O-N 3.22Å; W556-A560 HydrophobicContact CZ2-CB 4.26Å; W556-A560 WeakPolarHBondContact O-CB 3.36Å; W556-A560 PolarHBondContact O-N 3.49Å; W556-F567 PolarHBondContact NE1-O 3.33Å; W556-R570 HydrophobicContact CD2-CG 4.31Å; W556-R570 HydrophobicContact CE3-CG 4.36Å; W556-R570 HydrophobicContact CH2-CB 3.91Å; W556-R570 HydrophobicContact CH2-CG 4Å; W556-R570 HydrophobicContact CZ2-CB 3.54Å; W556-R570 HydrophobicContact CZ2-CG 3.95Å; W556-R570 HydrophobicContact CZ3-CG 4.19Å; W556-W573 HydrophobicContact CB-CD2 4.09Å; W556-W573 HydrophobicContact CB-CG 3.95Å; W556-W573 VanDerWaalsContact CD1-CB 3.41Å; W556-W573 AromaticContact CD1-CD1 3.85Å; W556-W573 AromaticContact CD1-CD2 3.99Å; W556-W573 AromaticContact CD1-CG 3.42Å; W556-W573 VanDerWaalsContact CD1-CG 3.42Å; W556-W573 HydrophobicContact CG-CB 4.21Å; W556-W573 AromaticContact CG-CD1 3.81Å; W556-W573 HydrophobicContact CG-CD2 4.37Å; W556-W573 AromaticContact CG-CG 3.84Å; W556-W573 HydrophobicContact CG-CG 3.84Å
557	M	85.8	Confident	75.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-34.3	-179.9	-76.3	-60	-64.9	0	0	112.6	I521 R522 P524 L533 D554 L555 F561	I521-M557 WeakPolarHBondContact O-CB 3.47Å; I521-M557 WeakPolarHBondContact O-CE 3.4Å; R522-M557 WeakPolarHBondContact O-CG 3.29Å; P524-M557 HydrophobicContact CB-CE 4.39Å; P524-M557 HydrophobicContact CB-CG 4.43Å; P524-M557 HydrophobicContact CB-SD 3.59Å; P524-M557 VanDerWaalsContact CB-SD 3.59Å; L533-M557 HydrophobicContact CD1-CE 3.64Å; L533-M557 HydrophobicContact CD1-SD 4.24Å; L533-M557 HydrophobicContact CD2-CE 4.43Å; L533-M557 HydrophobicContact CG-CE 4.05Å; D554-M557 PolarHBondContact O-N 2.96Å; L555-M557 VanDerWaalsContact C-N 3.29Å; L555-M557 PolarHBondContact O-N 3.48Å; M557-F561 WeakPolarHBondContact O-CB 3.22Å; M557-F561 PolarHBondContact O-N 3.49Å
558	L	87.9	Confident	76.2	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-68.7	-41.6	174.9	-50.7	-174.4	0	0	0	110.7	I278 G518 I521 I542 P547 L555 W556 F561 L562	I278-L558 HydrophobicContact CD1-CB 4.12Å; I278-L558 HydrophobicContact CD1-CD1 4.22Å; G518-L558 WeakPolarHBondContact O-CD2 3.31Å; I521-L558 HydrophobicContact CD1-CD2 4.45Å; I521-L558 HydrophobicContact CG1-CD2 4.21Å; I542-L558 HydrophobicContact CD1-CB 3.63Å; I542-L558 HydrophobicContact CD1-CD2 4.05Å; I542-L558 HydrophobicContact CD1-CG 4.34Å; I542-L558 HydrophobicContact CG2-CD2 4.35Å; P547-L558 WeakPolarHBondContact O-CD1 3.32Å; L555-L558 HydrophobicContact CD1-CB 4.45Å; L555-L558 HydrophobicContact CD1-CD1 4.3Å; L555-L558 WeakPolarHBondContact O-CB 3.44Å; L555-L558 PolarHBondContact O-N 2.68Å; L555-L558 VanDerWaalsContact O-N 3.15Å; W556-L558 VanDerWaalsContact C-N 3.28Å; W556-L558 PolarHBondContact O-N 3.26Å; L558-F561 PolarHBondContact O-N 3.24Å; L558-L562 WeakPolarHBondContact O-CG 3.36Å; L558-L562 PolarHBondContact O-N 3.38Å
559	L	87	Confident	76.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-42.8	175.8	-65	172.1	0	0	0	112.8	L555 W556 F561 L562 R563 L564 F567 W573 L595 I599	L555-L559 HydrophobicContact CG-CD1 4.18Å; L555-L559 HydrophobicContact CG-CG 4.34Å; L555-L559 WeakPolarHBondContact O-CG 3.45Å; L555-L559 PolarHBondContact O-N 3.01Å; L555-L559 VanDerWaalsContact O-N 3.08Å; W556-L559 WeakPolarHBondContact O-CB 3.35Å; W556-L559 PolarHBondContact O-N 3.22Å; L559-F561 VanDerWaalsContact C-N 3.32Å; L559-F561 PolarHBondContact O-N 2.95Å; L559-L562 CarbonylContact O-C 3.52Å; L559-L562 PolarHBondContact O-N 2.76Å; L559-R563 PolarHBondContact O-N 3Å; L559-L564 HydrophobicContact CD2-CD2 3.98Å; L559-L564 PolarHBondContact O-N 3.12Å; L559-F567 HydrophobicContact CD1-CB 4.47Å; L559-W573 HydrophobicContact CD1-CD2 4.45Å; L559-W573 HydrophobicContact CD1-CE3 3.54Å; L559-W573 HydrophobicContact CD1-CH2 3.78Å; L559-W573 HydrophobicContact CD1-CZ3 3.16Å; L559-L595 HydrophobicContact CD1-CD2 3.89Å; L559-L595 HydrophobicContact CD2-CD2 4.47Å; L559-I599 HydrophobicContact CD2-CD1 3.28Å
560	A	87.5	Confident	77.9	Confident	5 Å²	5	33.1 Å²	33.1	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-37.5	175.7	0	0	0	0	0	111.5	L533 W556 R563	L533-A560 HydrophobicContact CD2-CB 3.89Å; W556-A560 HydrophobicContact CZ2-CB 4.26Å; W556-A560 WeakPolarHBondContact O-CB 3.36Å; W556-A560 PolarHBondContact O-N 3.49Å; A560-R563 WeakPolarHBondContact O-CD 3.23Å; A560-R563 PolarHBondContact O-N 3.19Å
561	F	90.7	Very high	78.8	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-48.3	170.7	177.5	-101.4	0	0	0	111.4	V513 L515 I521 A532 L533 R540 I542 M557 L558 L559 R563	V513-F561 HydrophobicContact CB-CZ 4.18Å; V513-F561 HydrophobicContact CG1-CE2 4.3Å; V513-F561 HydrophobicContact CG1-CZ 3.77Å; L515-F561 HydrophobicContact CD1-CD1 3.82Å; L515-F561 HydrophobicContact CD1-CD2 3.79Å; L515-F561 HydrophobicContact CD1-CE1 3.73Å; L515-F561 HydrophobicContact CD1-CE2 3.73Å; L515-F561 HydrophobicContact CD1-CG 3.83Å; L515-F561 HydrophobicContact CD1-CZ 3.7Å; L515-F561 HydrophobicContact CD2-CE2 4.25Å; L515-F561 HydrophobicContact CD2-CZ 4.1Å; L515-F561 HydrophobicContact CG-CD1 4.36Å; L515-F561 HydrophobicContact CG-CE1 3.77Å; L515-F561 HydrophobicContact CG-CE2 4.01Å; L515-F561 HydrophobicContact CG-CZ 3.58Å; I521-F561 HydrophobicContact CD1-CB 4.08Å; I521-F561 HydrophobicContact CD1-CG 4.43Å; A532-F561 WeakPolarHBondContact O-CE2 3.38Å; L533-F561 HydrophobicContact CD2-CB 3.95Å; L533-F561 VanDerWaalsContact CD2-N 3.3Å; R540-F561 HydrophobicContact CB-CD1 4.37Å; R540-F561 HydrophobicContact CB-CE1 3.8Å; R540-F561 HydrophobicContact CB-CZ 4.3Å; R540-F561 WeakPolarHBondContact CD-O 3.27Å; R540-F561 HydrophobicContact CG-CE1 4.2Å; R540-F561 HydrophobicContact CG-CZ 4.24Å; R540-F561 PolarHBondContact NE-O 2.66Å; I542-F561 HydrophobicContact CD1-CD1 3.85Å; I542-F561 HydrophobicContact CG1-CD1 3.74Å; I542-F561 HydrophobicContact CG1-CE1 4.08Å; M557-F561 WeakPolarHBondContact O-CB 3.22Å; M557-F561 PolarHBondContact O-N 3.49Å; L558-F561 PolarHBondContact O-N 3.24Å; L559-F561 VanDerWaalsContact C-N 3.32Å; L559-F561 PolarHBondContact O-N 2.95Å; F561-R563 PolarHBondContact O-N 3.17Å; F561-R563 VanDerWaalsContact O-N 3.1Å
562	L	88.2	Confident	79.4	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-11.9	178.1	-69	176.4	0	0	0	114.3	V274 I278 R540 I542 L558 L559 L564	V274-L562 HydrophobicContact CG1-CB 4.45Å; I278-L562 HydrophobicContact CD1-CD1 4.29Å; I278-L562 HydrophobicContact CG1-CD1 3.81Å; R540-L562 HydrophobicContact CB-CD2 3.98Å; R540-L562 WeakPolarHBondContact O-CD2 3.45Å; I542-L562 HydrophobicContact CD1-CD1 4.38Å; I542-L562 HydrophobicContact CD1-CD2 4.29Å; I542-L562 HydrophobicContact CD1-CG 4Å; I542-L562 HydrophobicContact CG1-CD2 4.34Å; L558-L562 WeakPolarHBondContact O-CG 3.36Å; L558-L562 PolarHBondContact O-N 3.38Å; L559-L562 CarbonylContact O-C 3.52Å; L559-L562 PolarHBondContact O-N 2.76Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 3.27Å
563	R	85.9	Confident	80.1	Confident	104 Å²	104	28.2 Å²	28.2	39%	0.392	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	37.9	-177.5	-60.2	-64.4	-176.9	158.1	-2.6	113.3	L533 L559 A560 F561 K565	L533-R563 PolarHBondContact O-NH2 2.88Å; L559-R563 PolarHBondContact O-N 3Å; A560-R563 WeakPolarHBondContact O-CD 3.23Å; A560-R563 PolarHBondContact O-N 3.19Å; F561-R563 PolarHBondContact O-N 3.17Å; F561-R563 VanDerWaalsContact O-N 3.1Å; R563-K565 PolarHBondContact O-N 2.86Å
564	L	81.1	Confident	80.5	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.021	11%	0.112	C	C	.	.			trans	-76.3	90.7	177.2	-178	68.5	0	0	0	111.2	V274 L559 L562 F567 D568 L595 I599	V274-L564 HydrophobicContact CB-CD1 4.37Å; V274-L564 HydrophobicContact CG2-CB 4.09Å; V274-L564 HydrophobicContact CG2-CD1 3.57Å; V274-L564 HydrophobicContact CG2-CG 4.42Å; L559-L564 HydrophobicContact CD2-CD2 3.98Å; L559-L564 PolarHBondContact O-N 3.12Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 3.27Å; L564-F567 HydrophobicContact CD2-CD2 4.02Å; L564-F567 HydrophobicContact CG-CD2 4.2Å; L564-F567 CarbonylContact O-C 3.41Å; L564-F567 WeakPolarHBondContact O-CA 3.39Å; L564-F567 WeakPolarHBondContact O-CB 3.23Å; L564-F567 PolarHBondContact O-N 3.42Å; L564-D568 PolarHBondContact O-N 3.35Å; L564-D568 VanDerWaalsContact O-N 3.13Å; L564-L595 HydrophobicContact CD2-CD1 3.42Å; L564-L595 VanDerWaalsContact CD2-CD1 3.42Å; L564-I599 HydrophobicContact CD2-CG2 4.2Å
565	K	75.1	Confident	80.5	Confident	76 Å²	76	27 Å²	27	33%	0.33	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	134.6	175.3	-72.3	173.9	176.3	171.4	0	111.6	E272 R563 D568	E272-K565 IonicContact OE2-NZ 2.66Å; E272-K565 PolarHBondContact OE2-NZ 2.79Å; R563-K565 PolarHBondContact O-N 2.86Å; K565-D568 WeakPolarHBondContact CA-OD1 3.11Å; K565-D568 WeakPolarHBondContact CG-OD1 3.44Å
566	P	70.7	Confident	80.1	Confident	7 Å²	7	27.9 Å²	27.9	5%	0.045	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	5.9	3.7	39.1	-37	0	0	0	114.8	V93 T263 D568 V569 W572	V93-P566 HydrophobicContact CG1-CB 3.47Å; V93-P566 VanDerWaalsContact CG1-CB 3.47Å; T263-P566 HydrophobicContact CG2-CG 3.48Å; T263-P566 VanDerWaalsContact CG2-CG 3.48Å; P566-D568 PolarHBondContact O-N 3.34Å; P566-V569 WeakPolarHBondContact O-CB 3.42Å; P566-V569 PolarHBondContact O-N 3.26Å; P566-V569 VanDerWaalsContact O-N 3.1Å; P566-W572 HydrophobicContact CB-CB 4.36Å; P566-W572 HydrophobicContact CB-CD2 4.22Å; P566-W572 HydrophobicContact CB-CG 3.96Å; P566-W572 HydrophobicContact CG-CB 4.47Å; P566-W572 HydrophobicContact CG-CD2 4.25Å; P566-W572 HydrophobicContact CG-CE3 4.39Å; P566-W572 HydrophobicContact CG-CG 4.28Å; P566-W572 WeakPolarHBondContact O-CB 3.36Å
567	F	78.3	Confident	79.6	Confident	1 Å²	1	26.2 Å²	26.2	0%	0.004	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.4	-176.5	-55.3	-67	0	0	0	114	L262 T263 W556 L559 L564 V569 W573 V576 I577 L595	L262-F567 HydrophobicContact CB-CZ 4.27Å; L262-F567 HydrophobicContact CD1-CE2 4.17Å; L262-F567 HydrophobicContact CD1-CZ 3.99Å; T263-F567 HydrophobicContact CG2-CE1 4.14Å; T263-F567 HydrophobicContact CG2-CZ 3.86Å; W556-F567 PolarHBondContact NE1-O 3.33Å; L559-F567 HydrophobicContact CD1-CB 4.47Å; L564-F567 HydrophobicContact CD2-CD2 4.02Å; L564-F567 HydrophobicContact CG-CD2 4.2Å; L564-F567 CarbonylContact O-C 3.41Å; L564-F567 WeakPolarHBondContact O-CA 3.39Å; L564-F567 WeakPolarHBondContact O-CB 3.23Å; L564-F567 PolarHBondContact O-N 3.42Å; F567-V569 PolarHBondContact O-N 3.14Å; F567-W573 HydrophobicContact CD1-CE3 4.36Å; F567-V576 HydrophobicContact CE1-CB 4.13Å; F567-V576 HydrophobicContact CE1-CG1 4.04Å; F567-V576 HydrophobicContact CZ-CG1 4.41Å; F567-I577 HydrophobicContact CE1-CG1 4.1Å; F567-L595 HydrophobicContact CD2-CD1 4.11Å; F567-L595 HydrophobicContact CE2-CD1 4.04Å
568	D	74.9	Confident	79.1	Confident	31 Å²	31	26.9 Å²	26.9	17%	0.166	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.4	165.2	66.8	-36.8	0	0	0	112.7	L564 K565 P566	L564-D568 PolarHBondContact O-N 3.35Å; L564-D568 VanDerWaalsContact O-N 3.13Å; K565-D568 WeakPolarHBondContact CA-OD1 3.11Å; K565-D568 WeakPolarHBondContact CG-OD1 3.44Å; P566-D568 PolarHBondContact O-N 3.34Å
569	V	78.2	Confident	78.5	Confident	56 Å²	56	29.8 Å²	29.8	34%	0.339	13%	0.132	S	C	.	.	S	Bend	trans	-94.8	127.7	171.9	178.3	0	0	0	0	109.9	P566 F567 E571 W572 W573	P566-V569 WeakPolarHBondContact O-CB 3.42Å; P566-V569 PolarHBondContact O-N 3.26Å; P566-V569 VanDerWaalsContact O-N 3.1Å; F567-V569 PolarHBondContact O-N 3.14Å; V569-E571 VanDerWaalsContact C-N 3.33Å; V569-E571 HydrophobicContact CG1-CB 4.36Å; V569-E571 WeakPolarHBondContact CG1-OE2 3.45Å; V569-E571 PolarHBondContact O-N 3.46Å; V569-W572 PolarHBondContact O-N 3.23Å; V569-W573 PolarHBondContact O-N 3.07Å
570	R	76.8	Confident	77.7	Confident	68 Å²	68	30.7 Å²	30.7	26%	0.257	14%	0.138	S	C	.	.	H	α-helix	trans	-64.1	-35.8	-169.8	-165.9	-178.3	-176.1	-160.5	3.5	113	D45 W556 W572 W573 N574	D45-R570 IonicContact OD1-NH1 2.7Å; D45-R570 PolarHBondContact OD1-NH1 2.95Å; D45-R570 IonicContact OD2-NH1 3.26Å; D45-R570 PolarHBondContact OD2-NH1 3.41Å; W556-R570 HydrophobicContact CD2-CG 4.31Å; W556-R570 HydrophobicContact CE3-CG 4.36Å; W556-R570 HydrophobicContact CH2-CB 3.91Å; W556-R570 HydrophobicContact CH2-CG 4Å; W556-R570 HydrophobicContact CZ2-CB 3.54Å; W556-R570 HydrophobicContact CZ2-CG 3.95Å; W556-R570 HydrophobicContact CZ3-CG 4.19Å; R570-W572 VanDerWaalsContact C-N 3.34Å; R570-W572 PolarHBondContact O-N 3.02Å; R570-W573 PolarHBondContact O-N 2.7Å; R570-N574 WeakPolarHBondContact O-CB 3.31Å; R570-N574 VanDerWaalsContact O-CG 3.28Å; R570-N574 PolarHBondContact O-N 3.34Å; R570-N574 PolarHBondContact O-OD1 3.39Å
571	E	73.1	Confident	76.9	Confident	55 Å²	55	30.6 Å²	30.6	26%	0.257	14%	0.137	S	C	.	.	H	α-helix	trans	-62.7	-41.3	-179.1	-66	70.5	-163	0	0	111.2	K119 V569 N574 R575	K119-E571 IonicContact NZ-OE1 2.95Å; K119-E571 PolarHBondContact NZ-OE1 2.88Å; V569-E571 VanDerWaalsContact C-N 3.33Å; V569-E571 HydrophobicContact CG1-CB 4.36Å; V569-E571 WeakPolarHBondContact CG1-OE2 3.45Å; V569-E571 PolarHBondContact O-N 3.46Å; E571-N574 PolarHBondContact O-N 2.78Å; E571-R575 WeakPolarHBondContact O-CB 3.44Å; E571-R575 PolarHBondContact O-N 3.26Å
572	W	74.1	Confident	75.8	Confident	17 Å²	17	35.6 Å²	35.6	6%	0.064	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-44.5	177.2	-79.9	100.7	0	0	0	112.1	E71 M72 V93 T263 P566 V569 R570 R575 V576	E71-W572 HydrophobicContact CG-CH2 4.26Å; M72-W572 HydrophobicContact CB-CH2 3.72Å; M72-W572 HydrophobicContact CB-CZ2 3.53Å; V93-W572 HydrophobicContact CB-CZ2 4.41Å; V93-W572 HydrophobicContact CG1-CZ2 4.23Å; V93-W572 HydrophobicContact CG2-CH2 4.11Å; V93-W572 HydrophobicContact CG2-CZ2 3.27Å; T263-W572 HydrophobicContact CG2-CE3 4.1Å; T263-W572 HydrophobicContact CG2-CZ3 4.23Å; P566-W572 HydrophobicContact CB-CB 4.36Å; P566-W572 HydrophobicContact CB-CD2 4.22Å; P566-W572 HydrophobicContact CB-CG 3.96Å; P566-W572 HydrophobicContact CG-CB 4.47Å; P566-W572 HydrophobicContact CG-CD2 4.25Å; P566-W572 HydrophobicContact CG-CE3 4.39Å; P566-W572 HydrophobicContact CG-CG 4.28Å; P566-W572 WeakPolarHBondContact O-CB 3.36Å; V569-W572 PolarHBondContact O-N 3.23Å; R570-W572 VanDerWaalsContact C-N 3.34Å; R570-W572 PolarHBondContact O-N 3.02Å; W572-R575 PolarHBondContact O-N 3.05Å; W572-V576 HydrophobicContact CE3-CG2 3.86Å; W572-V576 HydrophobicContact CZ3-CG2 4.25Å; W572-V576 WeakPolarHBondContact O-CB 3.25Å; W572-V576 WeakPolarHBondContact O-CG2 3.23Å; W572-V576 PolarHBondContact O-N 3.24Å
573	W	80.8	Confident	74.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-51	171.9	175.4	-102.8	0	0	0	112.1	V552 L555 W556 L559 F567 V569 R570 R575 I577 Q578 L592 L595	V552-W573 HydrophobicContact CG1-CH2 4.3Å; V552-W573 HydrophobicContact CG1-CZ2 3.62Å; V552-W573 WeakPolarHBondContact O-CZ2 3.31Å; L555-W573 HydrophobicContact CB-CH2 4.27Å; L555-W573 HydrophobicContact CB-CZ2 4.29Å; L555-W573 HydrophobicContact CD2-CH2 3.9Å; L555-W573 HydrophobicContact CG-CH2 4.08Å; W556-W573 HydrophobicContact CB-CD2 4.09Å; W556-W573 HydrophobicContact CB-CG 3.95Å; W556-W573 VanDerWaalsContact CD1-CB 3.41Å; W556-W573 AromaticContact CD1-CD1 3.85Å; W556-W573 AromaticContact CD1-CD2 3.99Å; W556-W573 AromaticContact CD1-CG 3.42Å; W556-W573 VanDerWaalsContact CD1-CG 3.42Å; W556-W573 HydrophobicContact CG-CB 4.21Å; W556-W573 AromaticContact CG-CD1 3.81Å; W556-W573 HydrophobicContact CG-CD2 4.37Å; W556-W573 AromaticContact CG-CG 3.84Å; W556-W573 HydrophobicContact CG-CG 3.84Å; L559-W573 HydrophobicContact CD1-CD2 4.45Å; L559-W573 HydrophobicContact CD1-CE3 3.54Å; L559-W573 HydrophobicContact CD1-CH2 3.78Å; L559-W573 HydrophobicContact CD1-CZ3 3.16Å; F567-W573 HydrophobicContact CD1-CE3 4.36Å; V569-W573 PolarHBondContact O-N 3.07Å; R570-W573 PolarHBondContact O-N 2.7Å; W573-R575 VanDerWaalsContact C-N 3.31Å; W573-R575 PolarHBondContact O-N 3.34Å; W573-I577 HydrophobicContact CD2-CB 4.25Å; W573-I577 HydrophobicContact CE3-CB 3.86Å; W573-I577 HydrophobicContact CE3-CG1 3.87Å; W573-I577 HydrophobicContact CE3-CG2 4.21Å; W573-I577 HydrophobicContact CH2-CB 4.1Å; W573-I577 HydrophobicContact CH2-CG1 4.48Å; W573-I577 HydrophobicContact CH2-CG2 3.51Å; W573-I577 HydrophobicContact CZ2-CB 4.47Å; W573-I577 HydrophobicContact CZ2-CG2 3.94Å; W573-I577 HydrophobicContact CZ3-CB 3.75Å; W573-I577 HydrophobicContact CZ3-CG1 3.73Å; W573-I577 HydrophobicContact CZ3-CG2 3.63Å; W573-I577 PolarHBondContact O-N 3.43Å; W573-I577 VanDerWaalsContact O-N 3.09Å; W573-Q578 VanDerWaalsContact NE1-OE1 3.11Å; W573-Q578 PolarHBondContact O-N 3.46Å; W573-L592 HydrophobicContact CH2-CD1 4.12Å; W573-L595 HydrophobicContact CZ3-CD2 3.69Å
574	N	77.1	Confident	73.7	Confident	19 Å²	19	37.1 Å²	37.1	10%	0.102	18%	0.176	C	C	.	.	I	π-helix	trans	-58.7	-42.5	-178.5	-77.9	0.2	0	0	0	111.8	R570 E571 Q578 R579	R570-N574 WeakPolarHBondContact O-CB 3.31Å; R570-N574 VanDerWaalsContact O-CG 3.28Å; R570-N574 PolarHBondContact O-N 3.34Å; R570-N574 PolarHBondContact O-OD1 3.39Å; E571-N574 PolarHBondContact O-N 2.78Å; N574-Q578 PolarHBondContact OD1-OE1 2.75Å; N574-R579 VanDerWaalsContact O-CB 3.24Å; N574-R579 WeakPolarHBondContact O-CB 3.36Å; N574-R579 VanDerWaalsContact O-CG 3.28Å; N574-R579 WeakPolarHBondContact O-CG 3.17Å; N574-R579 PolarHBondContact O-N 3.26Å
575	R	71.4	Confident	73.2	Confident	78 Å²	78	39 Å²	39	29%	0.294	19%	0.186	S	C	.	.	I	π-helix	trans	-80.3	-42.2	-175.5	-177.4	-178.5	178.2	110.6	2.1	114.5	M72 V123 E571 W572 W573 P580	M72-R575 HydrophobicContact CE-CB 4.37Å; M72-R575 HydrophobicContact CE-CG 4.48Å; V123-R575 VanDerWaalsContact CG2-NH1 3.28Å; E571-R575 WeakPolarHBondContact O-CB 3.44Å; E571-R575 PolarHBondContact O-N 3.26Å; W572-R575 PolarHBondContact O-N 3.05Å; W573-R575 VanDerWaalsContact C-N 3.31Å; W573-R575 PolarHBondContact O-N 3.34Å; R575-P580 WeakPolarHBondContact O-CD 2.91Å; R575-P580 WeakPolarHBondContact O-CG 3.39Å
576	V	71.6	Confident	72.9	Confident	20 Å²	20	40.9 Å²	40.9	12%	0.121	19%	0.191	C	C	.	.	I	π-helix	trans	-88.6	-30.1	-170.8	178.3	0	0	0	0	112	T263 F567 W572	T263-V576 HydrophobicContact CG2-CG2 4.39Å; F567-V576 HydrophobicContact CE1-CB 4.13Å; F567-V576 HydrophobicContact CE1-CG1 4.04Å; F567-V576 HydrophobicContact CZ-CG1 4.41Å; W572-V576 HydrophobicContact CE3-CG2 3.86Å; W572-V576 HydrophobicContact CZ3-CG2 4.25Å; W572-V576 WeakPolarHBondContact O-CB 3.25Å; W572-V576 WeakPolarHBondContact O-CG2 3.23Å; W572-V576 PolarHBondContact O-N 3.24Å
577	I	76.3	Confident	72.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-119.3	-62.9	-175.1	-54.5	-64	0	0	0	110.9	V552 F567 W573 P580 V581 N591 L592 L595	V552-I577 HydrophobicContact CG1-CG2 4.46Å; F567-I577 HydrophobicContact CE1-CG1 4.1Å; W573-I577 HydrophobicContact CD2-CB 4.25Å; W573-I577 HydrophobicContact CE3-CB 3.86Å; W573-I577 HydrophobicContact CE3-CG1 3.87Å; W573-I577 HydrophobicContact CE3-CG2 4.21Å; W573-I577 HydrophobicContact CH2-CB 4.1Å; W573-I577 HydrophobicContact CH2-CG1 4.48Å; W573-I577 HydrophobicContact CH2-CG2 3.51Å; W573-I577 HydrophobicContact CZ2-CB 4.47Å; W573-I577 HydrophobicContact CZ2-CG2 3.94Å; W573-I577 HydrophobicContact CZ3-CB 3.75Å; W573-I577 HydrophobicContact CZ3-CG1 3.73Å; W573-I577 HydrophobicContact CZ3-CG2 3.63Å; W573-I577 PolarHBondContact O-N 3.43Å; W573-I577 VanDerWaalsContact O-N 3.09Å; I577-P580 WeakPolarHBondContact O-CD 3.3Å; I577-V581 HydrophobicContact CG2-CG2 4.33Å; I577-V581 VanDerWaalsContact O-CB 3.27Å; I577-V581 WeakPolarHBondContact O-CB 3.28Å; I577-V581 WeakPolarHBondContact O-CG2 3.49Å; I577-V581 PolarHBondContact O-N 2.76Å; I577-N591 HydrophobicContact CD1-CB 3.55Å; I577-L592 HydrophobicContact CG2-CB 4.05Å; I577-L592 HydrophobicContact CG2-CD1 3.98Å; I577-L592 HydrophobicContact CG2-CG 4.4Å; I577-L595 HydrophobicContact CD1-CD2 4.47Å; I577-L595 HydrophobicContact CG1-CD2 4.43Å
578	Q	75.1	Confident	72.5	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.065	21%	0.206	C	C	.	.	I	π-helix	trans	-64.9	-52.3	-164.3	-158.3	-177.3	-79.8	0	0	113.7	W573 N574 I582	W573-Q578 VanDerWaalsContact NE1-OE1 3.11Å; W573-Q578 PolarHBondContact O-N 3.46Å; N574-Q578 PolarHBondContact OD1-OE1 2.75Å; Q578-I582 HydrophobicContact CG-CD1 3.88Å; Q578-I582 WeakPolarHBondContact O-CB 3.31Å; Q578-I582 VanDerWaalsContact O-CG1 3.22Å; Q578-I582 WeakPolarHBondContact O-CG1 3.31Å; Q578-I582 PolarHBondContact O-N 3.13Å
579	R	73.5	Confident	72.4	Confident	64 Å²	64	41.4 Å²	41.4	24%	0.242	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-48.7	179.8	-70.9	173.2	180	163.3	-2.8	111.7	D43 N574 V581 I582 Q583	D43-R579 IonicContact OD2-CZ 2.62Å; D43-R579 IonicContact OD2-NE 3.41Å; D43-R579 PolarHBondContact OD2-NE 2.77Å; D43-R579 IonicContact OD2-NH2 3.57Å; D43-R579 PolarHBondContact OD2-NH2 3.26Å; N574-R579 VanDerWaalsContact O-CB 3.24Å; N574-R579 WeakPolarHBondContact O-CB 3.36Å; N574-R579 VanDerWaalsContact O-CG 3.28Å; N574-R579 WeakPolarHBondContact O-CG 3.17Å; N574-R579 PolarHBondContact O-N 3.26Å; R579-V581 VanDerWaalsContact C-N 3.35Å; R579-V581 PolarHBondContact O-N 2.81Å; R579-I582 PolarHBondContact O-N 3.14Å; R579-Q583 VanDerWaalsContact O-CB 3.31Å; R579-Q583 WeakPolarHBondContact O-CB 3.25Å; R579-Q583 WeakPolarHBondContact O-CG 2.95Å; R579-Q583 PolarHBondContact O-N 2.78Å
580	P	71.9	Confident	72.3	Confident	18 Å²	18	44.3 Å²	44.3	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-55.2	-45	174.4	-31.1	39.2	0	0	0	113.7	R575 I577 Q583 G584 D585	R575-P580 WeakPolarHBondContact O-CD 2.91Å; R575-P580 WeakPolarHBondContact O-CG 3.39Å; I577-P580 WeakPolarHBondContact O-CD 3.3Å; P580-Q583 CarbonylContact O-C 3.58Å; P580-Q583 PolarHBondContact O-N 3.37Å; P580-G584 PolarHBondContact O-N 3.18Å; P580-G584 VanDerWaalsContact O-N 3.17Å; P580-D585 HydrophobicContact CB-CB 4.02Å; P580-D585 WeakPolarHBondContact O-CB 3.18Å; P580-D585 PolarHBondContact O-N 2.95Å
581	V	70.7	Confident	72.3	Confident	4 Å²	4	43 Å²	43	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-43.7	178.8	171.1	0	0	0	0	111.7	L198 F202 V552 I577 R579 Q583 G584 L592	L198-V581 VanDerWaalsContact CD1-O 3.31Å; L198-V581 WeakPolarHBondContact CD1-O 3.35Å; F202-V581 HydrophobicContact CE2-CG1 3.63Å; F202-V581 HydrophobicContact CZ-CG1 3.76Å; V552-V581 HydrophobicContact CG2-CG1 4.21Å; I577-V581 HydrophobicContact CG2-CG2 4.33Å; I577-V581 VanDerWaalsContact O-CB 3.27Å; I577-V581 WeakPolarHBondContact O-CB 3.28Å; I577-V581 WeakPolarHBondContact O-CG2 3.49Å; I577-V581 PolarHBondContact O-N 2.76Å; R579-V581 VanDerWaalsContact C-N 3.35Å; R579-V581 PolarHBondContact O-N 2.81Å; V581-Q583 PolarHBondContact O-N 3.19Å; V581-G584 PolarHBondContact O-N 3.32Å; V581-G584 VanDerWaalsContact O-N 3.13Å; V581-L592 HydrophobicContact CG2-CB 4.45Å; V581-L592 HydrophobicContact CG2-CD2 4.26Å
582	I	67.6	Low	72.5	Confident	106 Å²	106	40.4 Å²	40.4	54%	0.544	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-30.4	174.5	-70.1	169	0	0	0	111.6	Q578 R579 G584	Q578-I582 HydrophobicContact CG-CD1 3.88Å; Q578-I582 WeakPolarHBondContact O-CB 3.31Å; Q578-I582 VanDerWaalsContact O-CG1 3.22Å; Q578-I582 WeakPolarHBondContact O-CG1 3.31Å; Q578-I582 PolarHBondContact O-N 3.13Å; R579-I582 PolarHBondContact O-N 3.14Å; I582-G584 VanDerWaalsContact C-N 3.31Å
583	Q	65.8	Low	72.6	Confident	136 Å²	136	42.5 Å²	42.5	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.9	177.8	-69.9	170.3	-7.2	0	0	113.9	R579 P580 V581 D585	R579-Q583 VanDerWaalsContact O-CB 3.31Å; R579-Q583 WeakPolarHBondContact O-CB 3.25Å; R579-Q583 WeakPolarHBondContact O-CG 2.95Å; R579-Q583 PolarHBondContact O-N 2.78Å; P580-Q583 CarbonylContact O-C 3.58Å; P580-Q583 PolarHBondContact O-N 3.37Å; V581-Q583 PolarHBondContact O-N 3.19Å; Q583-D585 VanDerWaalsContact C-N 3.34Å
584	G	62.5	Low	72.4	Confident	6 Å²	6	45.7 Å²	45.7	6%	0.062	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	18.4	-179.9	0	0	0	0	0	114.9	L193 P580 V581 I582 R586	L193-G584 PolarHBondContact N-O 2.94Å; P580-G584 PolarHBondContact O-N 3.18Å; P580-G584 VanDerWaalsContact O-N 3.17Å; V581-G584 PolarHBondContact O-N 3.32Å; V581-G584 VanDerWaalsContact O-N 3.13Å; I582-G584 VanDerWaalsContact C-N 3.31Å; G584-R586 PolarHBondContact O-N 2.83Å
585	D	70.9	Confident	72.5	Confident	43 Å²	43	44.8 Å²	44.8	23%	0.23	22%	0.22	C	C	.	.			trans	-73.6	121.6	178.7	177.7	17	0	0	0	111.8	P580 Q583 A587 G588 L589	P580-D585 HydrophobicContact CB-CB 4.02Å; P580-D585 WeakPolarHBondContact O-CB 3.18Å; P580-D585 PolarHBondContact O-N 2.95Å; Q583-D585 VanDerWaalsContact C-N 3.34Å; D585-A587 PolarHBondContact O-N 3.32Å; D585-A587 PolarHBondContact OD1-N 3.04Å; D585-G588 PolarHBondContact O-N 2.76Å; D585-L589 PolarHBondContact O-N 3.06Å; D585-L589 VanDerWaalsContact O-N 3.14Å
586	R	70.4	Confident	72.8	Confident	115 Å²	115	41.1 Å²	41.1	43%	0.434	21%	0.207	S	C	.	.	H	α-helix	trans	-58.1	-34.8	176.6	-59.1	-174.4	94.9	113.9	2.8	112.1	L193 E197 G584 L589 Q590	L193-R586 HydrophobicContact CD1-CG 3.92Å; L193-R586 HydrophobicContact CD2-CG 3.88Å; L193-R586 HydrophobicContact CG-CG 3.68Å; E197-R586 IonicContact OE1-NH1 3.28Å; E197-R586 PolarHBondContact OE1-NH1 3.41Å; E197-R586 IonicContact OE1-NH2 2.74Å; E197-R586 IonicContact OE2-NH1 3.88Å; G584-R586 PolarHBondContact O-N 2.83Å; R586-L589 PolarHBondContact O-N 3.47Å; R586-Q590 WeakPolarHBondContact O-CG 3.32Å; R586-Q590 PolarHBondContact O-N 2.93Å
587	A	69.4	Low	73.1	Confident	43 Å²	43	45.1 Å²	45.1	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-69.7	-43.9	178.8	0	0	0	0	0	111.6	D585 L589 Q590 N591	D585-A587 PolarHBondContact O-N 3.32Å; D585-A587 PolarHBondContact OD1-N 3.04Å; A587-L589 VanDerWaalsContact C-N 3.28Å; A587-L589 PolarHBondContact O-N 3.45Å; A587-Q590 PolarHBondContact O-N 3.39Å; A587-N591 WeakPolarHBondContact O-CB 3.21Å; A587-N591 PolarHBondContact O-N 2.7Å; A587-N591 PolarHBondContact O-ND2 2.82Å; A587-N591 PolarHBondContact O-OD1 2.85Å
588	G	70.8	Confident	73.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-41.7	172.6	0	0	0	0	0	113.4	D585 N591 L592	D585-G588 PolarHBondContact O-N 2.76Å; G588-N591 WeakPolarHBondContact O-CB 3.44Å; G588-N591 PolarHBondContact O-N 2.9Å; G588-L592 PolarHBondContact O-N 2.84Å
589	L	73	Confident	73.5	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-71.8	-40.5	179.3	-172.1	54.2	0	0	0	112.9	L193 A201 F202 D585 R586 A587 N591 L592 Q593	L193-L589 HydrophobicContact CD1-CB 4.47Å; L193-L589 HydrophobicContact CD1-CD2 3.49Å; L193-L589 VanDerWaalsContact CD1-CD2 3.49Å; A201-L589 HydrophobicContact CB-CD2 3.45Å; A201-L589 VanDerWaalsContact CB-CD2 3.45Å; A201-L589 HydrophobicContact CB-CG 4.28Å; F202-L589 HydrophobicContact CD2-CD1 4.3Å; F202-L589 HydrophobicContact CE2-CD1 3.99Å; F202-L589 HydrophobicContact CZ-CD1 4.41Å; D585-L589 PolarHBondContact O-N 3.06Å; D585-L589 VanDerWaalsContact O-N 3.14Å; R586-L589 PolarHBondContact O-N 3.47Å; A587-L589 VanDerWaalsContact C-N 3.28Å; A587-L589 PolarHBondContact O-N 3.45Å; L589-N591 VanDerWaalsContact C-N 3.32Å; L589-N591 PolarHBondContact O-N 2.92Å; L589-L592 HydrophobicContact CD1-CD2 4.37Å; L589-L592 WeakPolarHBondContact O-CB 3.13Å; L589-L592 PolarHBondContact O-N 2.76Å; L589-Q593 WeakPolarHBondContact O-CG 3.12Å; L589-Q593 PolarHBondContact O-N 3.3Å
590	Q	74.5	Confident	74	Confident	118 Å²	118	43.5 Å²	43.5	55%	0.551	22%	0.222	S	C	*	.	H	α-helix	trans	-62.3	-39.4	171.8	-75.1	176.2	-10.1	0	0	111.9	R586 A587 L592 Q593 T594	R586-Q590 WeakPolarHBondContact O-CG 3.32Å; R586-Q590 PolarHBondContact O-N 2.93Å; A587-Q590 PolarHBondContact O-N 3.39Å; Q590-L592 VanDerWaalsContact C-N 3.33Å; Q590-L592 PolarHBondContact O-N 2.76Å; Q590-Q593 PolarHBondContact O-N 2.77Å; Q590-T594 PolarHBondContact O-N 2.69Å; Q590-T594 PolarHBondContact O-OG1 3.38Å
591	N	76.8	Confident	74.6	Confident	39 Å²	39	42.8 Å²	42.8	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-43.5	174.1	-66.6	-18.4	0	0	0	110.9	L262 I577 A587 G588 L589 L595	L262-N591 HydrophobicContact CD2-CB 3.97Å; L262-N591 VanDerWaalsContact CD2-OD1 3.31Å; L262-N591 WeakPolarHBondContact CD2-OD1 3.08Å; I577-N591 HydrophobicContact CD1-CB 3.55Å; A587-N591 WeakPolarHBondContact O-CB 3.21Å; A587-N591 PolarHBondContact O-N 2.7Å; A587-N591 PolarHBondContact O-ND2 2.82Å; A587-N591 PolarHBondContact O-OD1 2.85Å; G588-N591 WeakPolarHBondContact O-CB 3.44Å; G588-N591 PolarHBondContact O-N 2.9Å; L589-N591 VanDerWaalsContact C-N 3.32Å; L589-N591 PolarHBondContact O-N 2.92Å; N591-L595 WeakPolarHBondContact O-CB 3.27Å; N591-L595 PolarHBondContact O-N 3.38Å
592	L	78.2	Confident	75.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-46.1	175.2	177.4	60.5	0	0	0	112.3	F202 L205 L555 W573 I577 V581 G588 L589 Q590 T594 L595 V596	F202-L592 HydrophobicContact CE1-CD2 3.67Å; F202-L592 HydrophobicContact CE2-CD2 4.44Å; F202-L592 HydrophobicContact CZ-CD2 3.43Å; F202-L592 VanDerWaalsContact CZ-CD2 3.43Å; L205-L592 HydrophobicContact CD1-CG 4.39Å; L205-L592 HydrophobicContact CD2-CD2 4.45Å; L555-L592 HydrophobicContact CD2-CD1 3.68Å; W573-L592 HydrophobicContact CH2-CD1 4.12Å; I577-L592 HydrophobicContact CG2-CB 4.05Å; I577-L592 HydrophobicContact CG2-CD1 3.98Å; I577-L592 HydrophobicContact CG2-CG 4.4Å; V581-L592 HydrophobicContact CG2-CB 4.45Å; V581-L592 HydrophobicContact CG2-CD2 4.26Å; G588-L592 PolarHBondContact O-N 2.84Å; L589-L592 HydrophobicContact CD1-CD2 4.37Å; L589-L592 WeakPolarHBondContact O-CB 3.13Å; L589-L592 PolarHBondContact O-N 2.76Å; Q590-L592 VanDerWaalsContact C-N 3.33Å; Q590-L592 PolarHBondContact O-N 2.76Å; L592-T594 PolarHBondContact O-N 3.37Å; L592-L595 WeakPolarHBondContact O-CB 3.25Å; L592-L595 PolarHBondContact O-N 2.94Å; L592-V596 HydrophobicContact CD1-CG2 3.86Å; L592-V596 HydrophobicContact CG-CG2 4.45Å; L592-V596 WeakPolarHBondContact O-CG2 3.29Å; L592-V596 PolarHBondContact O-N 3.4Å
593	Q	76	Confident	75.8	Confident	61 Å²	61	40.7 Å²	40.7	29%	0.285	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-49.1	177.9	-76.2	172.9	-18	0	0	111.4	A201 L205 L589 Q590 L595 V596 K597	A201-Q593 PolarHBondContact O-NE2 3.01Å; L205-Q593 VanDerWaalsContact CD1-CA 3.47Å; L205-Q593 HydrophobicContact CD1-CB 4.07Å; L205-Q593 HydrophobicContact CD1-CG 3.57Å; L589-Q593 WeakPolarHBondContact O-CG 3.12Å; L589-Q593 PolarHBondContact O-N 3.3Å; Q590-Q593 PolarHBondContact O-N 2.77Å; Q593-L595 VanDerWaalsContact C-N 3.32Å; Q593-L595 PolarHBondContact O-N 3.16Å; Q593-V596 PolarHBondContact O-N 3.27Å; Q593-K597 VanDerWaalsContact O-CB 3.22Å; Q593-K597 WeakPolarHBondContact O-CB 3.41Å; Q593-K597 PolarHBondContact O-N 2.96Å
594	T	76.2	Confident	76.3	Confident	67 Å²	67	36 Å²	36	41%	0.411	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-36.7	178.5	-33.8	0	0	0	0	111.2	F250 Q590 L592 K597 C598	F250-T594 HydrophobicContact CE1-CG2 3.62Å; F250-T594 HydrophobicContact CZ-CG2 4.44Å; F250-T594 WeakPolarHBondContact CZ-O 3.3Å; Q590-T594 PolarHBondContact O-N 2.69Å; Q590-T594 PolarHBondContact O-OG1 3.38Å; L592-T594 PolarHBondContact O-N 3.37Å; T594-K597 PolarHBondContact O-N 3.05Å; T594-C598 WeakPolarHBondContact O-CB 3.46Å; T594-C598 PolarHBondContact O-N 3.16Å; T594-C598 PolarHBondContact O-SG 2.85Å
595	L	79.3	Confident	76.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-54.6	174.3	-177.6	63.1	0	0	0	112.6	F250 L559 L564 F567 W573 I577 N591 L592 Q593 K597 C598 I599	F250-L595 HydrophobicContact CE2-CD1 3.69Å; F250-L595 HydrophobicContact CZ-CB 4.39Å; F250-L595 HydrophobicContact CZ-CD1 4.32Å; L559-L595 HydrophobicContact CD1-CD2 3.89Å; L559-L595 HydrophobicContact CD2-CD2 4.47Å; L564-L595 HydrophobicContact CD2-CD1 3.42Å; L564-L595 VanDerWaalsContact CD2-CD1 3.42Å; F567-L595 HydrophobicContact CD2-CD1 4.11Å; F567-L595 HydrophobicContact CE2-CD1 4.04Å; W573-L595 HydrophobicContact CZ3-CD2 3.69Å; I577-L595 HydrophobicContact CD1-CD2 4.47Å; I577-L595 HydrophobicContact CG1-CD2 4.43Å; N591-L595 WeakPolarHBondContact O-CB 3.27Å; N591-L595 PolarHBondContact O-N 3.38Å; L592-L595 WeakPolarHBondContact O-CB 3.25Å; L592-L595 PolarHBondContact O-N 2.94Å; Q593-L595 VanDerWaalsContact C-N 3.32Å; Q593-L595 PolarHBondContact O-N 3.16Å; L595-K597 VanDerWaalsContact C-N 3.34Å; L595-K597 PolarHBondContact O-N 2.86Å; L595-C598 PolarHBondContact O-N 2.74Å; L595-I599 WeakPolarHBondContact O-CG1 3.44Å; L595-I599 PolarHBondContact O-N 2.92Å
596	V	79.3	Confident	76.7	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-42.2	179.9	-179.4	0	0	0	0	110.1	L205 F206 L209 L555 L592 Q593 C598 I599 T600	L205-V596 HydrophobicContact CD1-CB 4.04Å; L205-V596 HydrophobicContact CD1-CG2 4.1Å; L205-V596 HydrophobicContact CD2-CG2 4.44Å; F206-V596 HydrophobicContact CD1-CG1 4.42Å; F206-V596 HydrophobicContact CE1-CG1 3.96Å; L209-V596 HydrophobicContact CD1-CG1 3.63Å; L555-V596 HydrophobicContact CD2-CG2 3.8Å; L592-V596 HydrophobicContact CD1-CG2 3.86Å; L592-V596 HydrophobicContact CG-CG2 4.45Å; L592-V596 WeakPolarHBondContact O-CG2 3.29Å; L592-V596 PolarHBondContact O-N 3.4Å; Q593-V596 PolarHBondContact O-N 3.27Å; V596-C598 PolarHBondContact O-N 2.97Å; V596-I599 PolarHBondContact O-N 3.16Å; V596-I599 VanDerWaalsContact O-N 3.1Å; V596-T600 HydrophobicContact CG1-CG2 4.5Å; V596-T600 WeakPolarHBondContact O-CB 3.21Å; V596-T600 PolarHBondContact O-N 2.92Å
597	K	77.6	Confident	76.5	Confident	104 Å²	104	35.4 Å²	35.4	45%	0.452	19%	0.185	S	C	.	.	H	α-helix	trans	-61.1	-28.4	176.4	-167.9	164.7	-169.2	171.8	0	114.3	D208 L209 Q593 T594 L595	D208-K597 VanDerWaalsContact CG-NZ 3.27Å; D208-K597 WeakPolarHBondContact O-CE 3.44Å; D208-K597 IonicContact OD1-NZ 3.74Å; D208-K597 IonicContact OD2-NZ 3.97Å; D208-K597 PolarHBondContact OD2-NZ 2.56Å; L209-K597 HydrophobicContact CD2-CB 3.52Å; L209-K597 HydrophobicContact CD2-CD 4.23Å; L209-K597 HydrophobicContact CD2-CG 3.59Å; Q593-K597 VanDerWaalsContact O-CB 3.22Å; Q593-K597 WeakPolarHBondContact O-CB 3.41Å; Q593-K597 PolarHBondContact O-N 2.96Å; T594-K597 PolarHBondContact O-N 3.05Å; L595-K597 VanDerWaalsContact C-N 3.34Å; L595-K597 PolarHBondContact O-N 2.86Å
598	C	76.7	Confident	76.3	Confident	37 Å²	37	38.1 Å²	38.1	25%	0.25	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.1	177.1	-76	0	0	0	0	115.2	R241 P249 F250 T594 L595 V596	R241-C598 VanDerWaalsContact CZ-O 3.24Å; R241-C598 PolarHBondContact NH1-O 2.99Å; R241-C598 PolarHBondContact NH2-O 3.24Å; P249-C598 HydrophobicContact CB-CB 3.65Å; P249-C598 HydrophobicContact CG-CB 3.86Å; F250-C598 HydrophobicContact CE1-CB 4.46Å; F250-C598 HydrophobicContact CE2-CB 4.28Å; F250-C598 HydrophobicContact CZ-CB 3.67Å; F250-C598 VanDerWaalsContact CZ-SG 3.59Å; T594-C598 WeakPolarHBondContact O-CB 3.46Å; T594-C598 PolarHBondContact O-N 3.16Å; T594-C598 PolarHBondContact O-SG 2.85Å; L595-C598 PolarHBondContact O-N 2.74Å; V596-C598 PolarHBondContact O-N 2.97Å
599	I	81.6	Confident	75.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-22.7	-175.6	70.7	-175.3	0	0	0	114.8	G277 I278 L559 L564 L595 V596	G277-I599 WeakPolarHBondContact CA-O 3.36Å; I278-I599 HydrophobicContact CD1-CD1 4.25Å; I278-I599 PolarHBondContact N-O 2.9Å; L559-I599 HydrophobicContact CD2-CD1 3.28Å; L564-I599 HydrophobicContact CD2-CG2 4.2Å; L595-I599 WeakPolarHBondContact O-CG1 3.44Å; L595-I599 PolarHBondContact O-N 2.92Å; V596-I599 PolarHBondContact O-N 3.16Å; V596-I599 VanDerWaalsContact O-N 3.1Å
600	T	85.2	Confident	74.9	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.1	-172	-56.9	0	0	0	0	110.8	L209 I278 A280 V596 R602	L209-T600 HydrophobicContact CD1-CG2 4.3Å; I278-T600 HydrophobicContact CB-CG2 4.25Å; I278-T600 HydrophobicContact CG2-CG2 4.4Å; I278-T600 VanDerWaalsContact O-CA 3.32Å; I278-T600 WeakPolarHBondContact O-CA 3.31Å; A280-T600 HydrophobicContact CB-CG2 3.61Å; V596-T600 HydrophobicContact CG1-CG2 4.5Å; V596-T600 WeakPolarHBondContact O-CB 3.21Å; V596-T600 PolarHBondContact O-N 2.92Å; T600-R602 HydrophobicContact CG2-CB 4.28Å
601	L	85.1	Confident	74.1	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	160.1	-180	67.5	0	0	0	106.7	A234 W237 I278 L279 A280	A234-L601 HydrophobicContact CB-CD2 4.13Å; W237-L601 HydrophobicContact CB-CD2 4.36Å; W237-L601 HydrophobicContact CD2-CB 3.89Å; W237-L601 HydrophobicContact CD2-CD2 3.93Å; W237-L601 HydrophobicContact CD2-CG 4.44Å; W237-L601 HydrophobicContact CE3-CB 3.76Å; W237-L601 HydrophobicContact CE3-CD2 3.73Å; W237-L601 HydrophobicContact CE3-CG 4.39Å; W237-L601 HydrophobicContact CG-CD2 4.23Å; W237-L601 HydrophobicContact CH2-CB 3.58Å; W237-L601 HydrophobicContact CZ2-CB 3.67Å; W237-L601 HydrophobicContact CZ3-CB 3.61Å; W237-L601 HydrophobicContact CZ3-CD2 4.3Å; I278-L601 PolarHBondContact O-N 3.28Å; L279-L601 HydrophobicContact CD1-CB 4.18Å; L279-L601 HydrophobicContact CD1-CD2 3.87Å; L279-L601 HydrophobicContact CD1-CG 4.25Å; A280-L601 PolarHBondContact N-O 3.11Å
602	R	82.9	Confident	73.1	Confident	65 Å²	65	51.4 Å²	51.4	25%	0.245	27%	0.267	C	S	.	.			trans	-128.2	125	178.5	173.6	156.3	-177.4	-132.8	-4.5	109.3	F206 L209 M210 A280 T600	F206-R602 HydrophobicContact CD1-CB 4.38Å; F206-R602 HydrophobicContact CD1-CG 4.45Å; F206-R602 VanDerWaalsContact CD2-NH1 3.31Å; L209-R602 HydrophobicContact CB-CB 4.4Å; M210-R602 WeakPolarHBondContact CA-O 3.15Å; M210-R602 WeakPolarHBondContact CG-O 3.3Å; A280-R602 HydrophobicContact CB-CB 3.97Å; A280-R602 HydrophobicContact CB-CG 4.37Å; A280-R602 WeakPolarHBondContact O-CG 3.45Å; T600-R602 HydrophobicContact CG2-CB 4.28Å
603	R	79.9	Confident	72.4	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.297	C	S	.	.			trans	-132.2	147.3	172.4	-65.4	158.9	-60.5	-178.6	13	110.2	M210 H230 D281 D282 L285 L614	M210-R603 HydrophobicContact CB-CG 4.25Å; M210-R603 WeakPolarHBondContact O-CD 3.28Å; M210-R603 WeakPolarHBondContact O-CG 3.35Å; H230-R603 PolarHBondContact O-NH1 3.45Å; D281-R603 WeakPolarHBondContact CA-O 3.36Å; D281-R603 IonicContact OD1-CZ 3.07Å; D281-R603 PolarHBondContact OD1-N 3.28Å; D281-R603 IonicContact OD1-NE 3.99Å; D281-R603 PolarHBondContact OD1-NE 3.11Å; D281-R603 IonicContact OD1-NH2 3.46Å; D281-R603 PolarHBondContact OD1-NH2 2.91Å; D281-R603 IonicContact OD2-CZ 3.74Å; D281-R603 IonicContact OD2-NH2 2.68Å; D281-R603 PolarHBondContact OD2-NH2 2.94Å; D282-R603 PolarHBondContact N-O 3.13Å; L285-R603 HydrophobicContact CD1-CB 4.33Å; L285-R603 WeakPolarHBondContact CD1-O 3.4Å; R603-L614 HydrophobicContact CB-CD2 3.87Å; R603-L614 HydrophobicContact CG-CD2 4.36Å
604	T	76	Confident	71.8	Confident	36 Å²	36	57.6 Å²	57.6	22%	0.221	29%	0.289	C	S	.	.			trans	-106	166.4	179.3	70.2	0	0	0	0	111	D282 N606 S607	D282-T604 VanDerWaalsContact CG-CA 3.49Å; D282-T604 WeakPolarHBondContact OD2-CA 3.42Å; D282-T604 VanDerWaalsContact OD2-CB 3.27Å; D282-T604 WeakPolarHBondContact OD2-CB 3.47Å; T604-N606 PolarHBondContact O-N 3.18Å; T604-N606 VanDerWaalsContact O-N 3.16Å; T604-N606 PolarHBondContact OG1-N 3.39Å; T604-S607 PolarHBondContact N-OG 3.48Å; T604-S607 WeakPolarHBondContact O-CB 3.46Å; T604-S607 PolarHBondContact O-N 2.75Å; T604-S607 PolarHBondContact O-OG 3Å; T604-S607 PolarHBondContact OG1-N 3.38Å; T604-S607 PolarHBondContact OG1-OG 3.22Å
605	K	72.4	Confident	71.2	Confident	23 Å²	23	55.1 Å²	55.1	10%	0.1	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.8	170.9	-65.8	178.1	-176.3	-176.8	0	113.1	D282 M283 L617 D899 H902	D282-K605 HydrophobicContact CB-CG 4.2Å; D282-K605 PolarHBondContact OD2-N 3.14Å; M283-K605 WeakPolarHBondContact O-CE 3.4Å; K605-L617 HydrophobicContact CB-CD1 4.23Å; K605-L617 HydrophobicContact CD-CD1 3.75Å; K605-L617 HydrophobicContact CG-CD1 3.97Å; K605-D899 IonicContact NZ-OD1 3.16Å; K605-D899 PolarHBondContact NZ-OD1 2.81Å; K605-D899 IonicContact NZ-OD2 3.28Å; K605-D899 PolarHBondContact NZ-OD2 2.82Å; K605-H902 PolarHBondContact NZ-O 3.13Å
606	N	69.3	Low	70.4	Confident	126 Å²	126	60.7 Å²	60.7	67%	0.674	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.2	-177.9	-63.9	-22.4	0	0	0	113.5	T604	T604-N606 PolarHBondContact O-N 3.18Å; T604-N606 VanDerWaalsContact O-N 3.16Å; T604-N606 PolarHBondContact OG1-N 3.39Å
607	S	67	Low	70.1	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.021	32%	0.321	C	S	.	.			trans	-54.8	143.3	176.4	-64.9	0	0	0	0	111.1	M210 T604 L614	M210-S607 PolarHBondContact SD-OG 2.65Å; T604-S607 PolarHBondContact N-OG 3.48Å; T604-S607 WeakPolarHBondContact O-CB 3.46Å; T604-S607 PolarHBondContact O-N 2.75Å; T604-S607 PolarHBondContact O-OG 3Å; T604-S607 PolarHBondContact OG1-N 3.38Å; T604-S607 PolarHBondContact OG1-OG 3.22Å; S607-L614 VanDerWaalsContact O-CB 3.28Å; S607-L614 WeakPolarHBondContact O-CB 3.46Å; S607-L614 PolarHBondContact O-N 3.31Å
608	E	65.2	Low	70.3	Confident	100 Å²	100	58.4 Å²	58.4	47%	0.467	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.2	170.8	-55.3	-164.7	159.7	0	0	108.6	R612 R613	E608-R612 CarbonylContact C-O 3.57Å; E608-R612 VanDerWaalsContact CA-O 3.28Å; E608-R612 WeakPolarHBondContact CA-O 3.33Å; E608-R613 HydrophobicContact CG-CG 3.93Å; E608-R613 WeakPolarHBondContact OE1-CG 2.88Å; E608-R613 IonicContact OE1-NE 3.33Å; E608-R613 PolarHBondContact OE1-NE 3.42Å
609	V	57.7	Low	70.7	Confident	28 Å²	28	63.6 Å²	63.6	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.5	174.1	165.3	0	0	0	0	106.6	E211 G611 R612 L614	E211-V609 HydrophobicContact CG-CG2 4.49Å; V609-G611 PolarHBondContact O-N 3.39Å; V609-R612 PolarHBondContact N-O 3.22Å; V609-R612 PolarHBondContact O-N 3.28Å; V609-R612 VanDerWaalsContact O-N 3.15Å; V609-R612 VanDerWaalsContact O-O 3.13Å; V609-L614 HydrophobicContact CB-CD1 4.02Å; V609-L614 HydrophobicContact CG2-CD1 3.44Å; V609-L614 VanDerWaalsContact CG2-CD1 3.44Å
610	N	56.9	Low	71	Confident	143 Å²	143	66.4 Å²	66.4	77%	0.765	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.2	-174.3	-57	-41.4	0	0	0	113.7	R612	N610-R612 VanDerWaalsContact C-N 3.27Å; N610-R612 PolarHBondContact O-N 3.27Å
611	G	56.7	Low	71.3	Confident	67 Å²	67	67.7 Å²	67.7	69%	0.691	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	17.1	178.9	0	0	0	0	0	115.1	V609	V609-G611 PolarHBondContact O-N 3.39Å
612	R	56.8	Low	71.6	Confident	206 Å²	206	70.9 Å²	70.9	78%	0.777	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.9	170.9	-63.9	-176.3	-179.2	-176.7	0.9	109.6	E608 V609 N610 L614	E608-R612 CarbonylContact C-O 3.57Å; E608-R612 VanDerWaalsContact CA-O 3.28Å; E608-R612 WeakPolarHBondContact CA-O 3.33Å; V609-R612 PolarHBondContact N-O 3.22Å; V609-R612 PolarHBondContact O-N 3.28Å; V609-R612 VanDerWaalsContact O-N 3.15Å; V609-R612 VanDerWaalsContact O-O 3.13Å; N610-R612 VanDerWaalsContact C-N 3.27Å; N610-R612 PolarHBondContact O-N 3.27Å; R612-L614 PolarHBondContact O-N 3.29Å
613	R	62	Low	72	Confident	169 Å²	169	74.1 Å²	74.1	64%	0.638	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	132	175.3	-71.3	-178.5	178.6	-170.9	-1.6	110.8	E608 V615	E608-R613 HydrophobicContact CG-CG 3.93Å; E608-R613 WeakPolarHBondContact OE1-CG 2.88Å; E608-R613 IonicContact OE1-NE 3.33Å; E608-R613 PolarHBondContact OE1-NE 3.42Å; R613-V615 PolarHBondContact O-N 2.66Å; R613-V615 VanDerWaalsContact O-N 3.14Å
614	L	63.4	Low	72.6	Confident	22 Å²	22	77.9 Å²	77.9	12%	0.115	40%	0.4	C	S	.	.	S	Bend	trans	-53.7	-36.8	-174.9	-160	78	0	0	0	112.4	H230 L285 R603 S607 V609 R612	H230-L614 HydrophobicContact CB-CD1 3.49Å; H230-L614 VanDerWaalsContact CB-CD1 3.49Å; H230-L614 HydrophobicContact CB-CD2 3.73Å; H230-L614 HydrophobicContact CB-CG 3.52Å; L285-L614 HydrophobicContact CD1-CD2 4.45Å; R603-L614 HydrophobicContact CB-CD2 3.87Å; R603-L614 HydrophobicContact CG-CD2 4.36Å; S607-L614 VanDerWaalsContact O-CB 3.28Å; S607-L614 WeakPolarHBondContact O-CB 3.46Å; S607-L614 PolarHBondContact O-N 3.31Å; V609-L614 HydrophobicContact CB-CD1 4.02Å; V609-L614 HydrophobicContact CG2-CD1 3.44Å; V609-L614 VanDerWaalsContact CG2-CD1 3.44Å; R612-L614 PolarHBondContact O-N 3.29Å
615	V	63.4	Low	73.5	Confident	16 Å²	16	79.1 Å²	79.1	10%	0.097	40%	0.403	C	S	.	.	S	Bend	trans	-138	125.8	171.7	-175	0	0	0	0	108.5	L285 R613 L617 L904	L285-V615 HydrophobicContact CD2-CG2 3.55Å; R613-V615 PolarHBondContact O-N 2.66Å; R613-V615 VanDerWaalsContact O-N 3.14Å; V615-L617 HydrophobicContact CB-CG 4.24Å; V615-L617 HydrophobicContact CG1-CD2 3.65Å; V615-L617 HydrophobicContact CG1-CG 3.61Å; V615-L617 PolarHBondContact O-N 2.94Å; V615-L904 HydrophobicContact CB-CD2 4.35Å; V615-L904 HydrophobicContact CG1-CD2 3.36Å; V615-L904 HydrophobicContact CG1-CG 4.35Å; V615-L904 HydrophobicContact CG2-CD2 3.99Å
616	S	63.7	Low	74.5	Confident	116 Å²	116	82.3 Å²	82.3	81%	0.811	42%	0.419	S	S	*	.			trans	-76.3	66.2	168.7	58.3	0	0	0	0	110.7
617	L	72.5	Confident	75.7	Confident	37 Å²	37	76.7 Å²	76.7	19%	0.194	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-69	138.3	170.8	-68.4	179.8	0	0	0	109.6	K605 V615	K605-L617 HydrophobicContact CB-CD1 4.23Å; K605-L617 HydrophobicContact CD-CD1 3.75Å; K605-L617 HydrophobicContact CG-CD1 3.97Å; V615-L617 HydrophobicContact CB-CG 4.24Å; V615-L617 HydrophobicContact CG1-CD2 3.65Å; V615-L617 HydrophobicContact CG1-CG 3.61Å; V615-L617 PolarHBondContact O-N 2.94Å
618	P	81.4	Confident	77	Confident	21 Å²	21	82.4 Å²	82.4	14%	0.136	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-56	157.3	169.2	-26.5	36.2	0	0	0	112.2	K620 H902 Q906 E907 R908 N909	P618-K620 PolarHBondContact O-N 3.34Å; P618-H902 PolarHBondContact O-NE2 3.06Å; P618-Q906 VanDerWaalsContact CD-O 3.26Å; P618-Q906 WeakPolarHBondContact CD-O 3.28Å; P618-Q906 HydrophobicContact CG-CG 4.17Å; P618-Q906 WeakPolarHBondContact CG-O 3.45Å; P618-E907 WeakPolarHBondContact CG-O 3.18Å; P618-R908 VanDerWaalsContact CB-C 3.41Å; P618-R908 WeakPolarHBondContact CB-O 3.34Å; P618-N909 WeakPolarHBondContact CB-OD1 3.33Å
619	K	85.2	Confident	78.3	Confident	147 Å²	147	78.5 Å²	78.5	64%	0.639	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-64.8	126.4	-176.2	-171.7	177.1	178.3	-180	0	110.5	N909 V910	K619-N909 PolarHBondContact N-OD1 2.94Å; K619-N909 CarbonylContact O-C 3.6Å; K619-N909 WeakPolarHBondContact O-CA 3.26Å; K619-V910 PolarHBondContact O-N 2.8Å
620	K	88.7	Confident	79.9	Confident	59 Å²	59	79.5 Å²	79.5	26%	0.257	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124	165.3	170.3	177.9	163.3	-175.4	0	108.1	P618 V622 E895 I898 V910	P618-K620 PolarHBondContact O-N 3.34Å; K620-V622 HydrophobicContact CG-CG2 4.48Å; K620-E895 IonicContact NZ-OE1 3.89Å; K620-E895 PolarHBondContact NZ-OE1 3.49Å; K620-I898 HydrophobicContact CD-CG2 4.26Å; K620-V910 WeakPolarHBondContact CA-O 3.4Å
621	T	91.3	Very high	81.5	Confident	34 Å²	34	77 Å²	77	21%	0.209	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.9	173.3	-49.8	0	0	0	0	109.1	Y623 V910 V912	T621-Y623 HydrophobicContact CG2-CD2 4.19Å; T621-Y623 HydrophobicContact CG2-CE1 4.23Å; T621-Y623 HydrophobicContact CG2-CE2 3.5Å; T621-Y623 VanDerWaalsContact CG2-CE2 3.5Å; T621-V910 PolarHBondContact N-O 2.81Å; T621-V912 PolarHBondContact O-N 2.75Å
622	V	90.9	Very high	83.1	Confident	69 Å²	69	79 Å²	79	42%	0.418	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.6	179.8	-174.1	0	0	0	0	108.9	K620 V912 K914	K620-V622 HydrophobicContact CG-CG2 4.48Å; V622-V912 CarbonylContact C-O 3.59Å; V622-V912 WeakPolarHBondContact CA-O 3.35Å; V622-V912 HydrophobicContact CG1-CB 4.34Å; V622-V912 HydrophobicContact CG1-CG1 4.46Å; V622-V912 HydrophobicContact CG2-CB 4.2Å; V622-V912 HydrophobicContact CG2-CG2 4.4Å; V622-K914 HydrophobicContact CG1-CG 4.32Å
623	Y	92.3	Very high	84.7	Confident	134 Å²	134	69.5 Å²	69.5	53%	0.525	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.4	173.8	-62.8	-79.6	0	0	0	109.8	T621 V911 V912 K914	T621-Y623 HydrophobicContact CG2-CD2 4.19Å; T621-Y623 HydrophobicContact CG2-CE1 4.23Å; T621-Y623 HydrophobicContact CG2-CE2 3.5Å; T621-Y623 VanDerWaalsContact CG2-CE2 3.5Å; Y623-V911 HydrophobicContact CD2-CG1 3.65Å; Y623-V911 HydrophobicContact CE2-CG1 3.68Å; Y623-V912 PolarHBondContact N-O 2.98Å; Y623-K914 PolarHBondContact O-N 3.12Å
624	V	92.2	Very high	86.2	Confident	79 Å²	79	64.3 Å²	64.3	48%	0.479	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.7	167.4	179.8	0	0	0	0	106.7	I916	V624-I916 HydrophobicContact CG1-CB 4.19Å; V624-I916 HydrophobicContact CG1-CG1 3.77Å
625	E	93.9	Very high	87.5	Confident	62 Å²	62	69.5 Å²	69.5	29%	0.29	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.6	176.4	-168.2	170.3	143.1	0	0	107.8	V627 N796 T913 K914 F915 I916	E625-V627 PolarHBondContact O-N 3.45Å; E625-N796 PolarHBondContact OE1-ND2 2.75Å; E625-N796 PolarHBondContact OE2-ND2 3.07Å; E625-T913 HydrophobicContact CB-CG2 3.78Å; E625-T913 WeakPolarHBondContact OE2-CG2 3.34Å; E625-K914 PolarHBondContact N-O 2.77Å; E625-F915 HydrophobicContact CB-CD1 4.05Å; E625-F915 HydrophobicContact CB-CE1 4.26Å; E625-F915 HydrophobicContact CG-CD1 4.28Å; E625-F915 HydrophobicContact CG-CE1 4.23Å; E625-I916 PolarHBondContact O-N 2.78Å; E625-I916 VanDerWaalsContact O-N 3.08Å
626	Q	94.1	Very high	88.8	Confident	91 Å²	91	71.1 Å²	71.1	43%	0.425	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.4	178	-70.8	-68.8	-18	0	0	108.9	I916	Q626-I916 WeakPolarHBondContact CA-O 3.48Å; Q626-I916 PolarHBondContact OE1-O 3.41Å
627	V	94.3	Very high	90.1	Very high	8 Å²	8	65.7 Å²	65.7	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.7	178.2	-177.7	0	0	0	0	108.5	E625 K789 A792 F915 I916 V917 K918	E625-V627 PolarHBondContact O-N 3.45Å; V627-K789 HydrophobicContact CG1-CG 4.28Å; V627-K789 HydrophobicContact CG2-CG 4.48Å; V627-A792 HydrophobicContact CG2-CB 4.09Å; V627-F915 HydrophobicContact CG2-CB 4.12Å; V627-F915 HydrophobicContact CG2-CD1 3.79Å; V627-F915 HydrophobicContact CG2-CG 4.38Å; V627-I916 PolarHBondContact N-O 2.93Å; V627-V917 WeakPolarHBondContact O-CA 3.34Å; V627-K918 PolarHBondContact O-N 2.8Å
628	E	93.9	Very high	91	Very high	123 Å²	123	66.3 Å²	66.3	58%	0.575	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-91.5	132.5	170.2	-57	-162.7	143.4	0	0	108.8	S788 K918	E628-S788 WeakPolarHBondContact O-CB 3.44Å; E628-S788 PolarHBondContact O-OG 3.02Å; E628-K918 HydrophobicContact CG-CD 4.14Å; E628-K918 VanDerWaalsContact OE1-CD 3.31Å; E628-K918 WeakPolarHBondContact OE1-CD 3.3Å; E628-K918 IonicContact OE1-NZ 3.87Å; E628-K918 PolarHBondContact OE1-NZ 3.23Å
629	L	92.2	Very high	91.4	Very high	18 Å²	18	70.9 Å²	70.9	9%	0.094	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.5	146.8	177.1	-65.5	-178.6	0	0	0	110.6	E633 R634 Y637 V917	L629-E633 HydrophobicContact CB-CB 4.06Å; L629-E633 HydrophobicContact CD1-CB 4.42Å; L629-E633 HydrophobicContact CD2-CB 4.38Å; L629-R634 HydrophobicContact CB-CB 4.14Å; L629-Y637 HydrophobicContact CD1-CG 4.23Å; L629-V917 HydrophobicContact CD1-CG1 3.93Å; L629-V917 HydrophobicContact CD2-CG1 3.81Å; L629-V917 HydrophobicContact CD2-CG2 4.1Å; L629-V917 HydrophobicContact CG-CG1 3.54Å
630	S	92.6	Very high	91.4	Very high	48 Å²	48	64.7 Å²	64.7	34%	0.336	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-58.5	154.2	166.5	69.5	0	0	0	0	110.7	Q632 E633 R634 S788	S630-Q632 PolarHBondContact O-N 3.09Å; S630-Q632 VanDerWaalsContact O-N 3.13Å; S630-E633 VanDerWaalsContact CB-OE2 3.3Å; S630-E633 WeakPolarHBondContact CB-OE2 3.49Å; S630-E633 PolarHBondContact N-OE2 3Å; S630-E633 VanDerWaalsContact N-OE2 3.17Å; S630-E633 PolarHBondContact O-N 3.08Å; S630-E633 VanDerWaalsContact O-N 3.12Å; S630-E633 VanDerWaalsContact OG-CG 3.31Å; S630-E633 WeakPolarHBondContact OG-CG 3.44Å; S630-E633 PolarHBondContact OG-N 3.11Å; S630-E633 PolarHBondContact OG-OE2 3.14Å; S630-R634 WeakPolarHBondContact O-CB 3.42Å; S630-R634 PolarHBondContact O-N 2.68Å; S630-S788 PolarHBondContact N-OG 3.25Å
631	A	91	Very high	91.4	Very high	90 Å²	90	62.8 Å²	62.8	74%	0.744	33%	0.325	S	S	*	.	H	α-helix	trans	-53.3	-39.3	-176.7	0	0	0	0	0	112.9	R634 E635	A631-R634 PolarHBondContact O-N 3.16Å; A631-E635 PolarHBondContact O-N 2.86Å
632	Q	88.8	Confident	91.3	Very high	109 Å²	109	63.8 Å²	63.8	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-70.9	-45.5	178.6	-164.4	-173	-6.8	0	0	112.4	S630 R634 E635 E636 R785	S630-Q632 PolarHBondContact O-N 3.09Å; S630-Q632 VanDerWaalsContact O-N 3.13Å; Q632-R634 VanDerWaalsContact C-N 3.27Å; Q632-R634 PolarHBondContact O-N 3.36Å; Q632-E635 PolarHBondContact O-N 3.36Å; Q632-E636 VanDerWaalsContact O-CG 3.31Å; Q632-E636 WeakPolarHBondContact O-CG 3.5Å; Q632-E636 PolarHBondContact O-N 3.18Å; Q632-R785 VanDerWaalsContact OE1-NH2 3.13Å
633	E	90.6	Very high	91	Very high	7 Å²	7	66.6 Å²	66.6	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-35.1	174.7	-71.3	167.2	122.5	0	0	111.7	L629 S630 Y637 P678 S787 S788	L629-E633 HydrophobicContact CB-CB 4.06Å; L629-E633 HydrophobicContact CD1-CB 4.42Å; L629-E633 HydrophobicContact CD2-CB 4.38Å; S630-E633 VanDerWaalsContact CB-OE2 3.3Å; S630-E633 WeakPolarHBondContact CB-OE2 3.49Å; S630-E633 PolarHBondContact N-OE2 3Å; S630-E633 VanDerWaalsContact N-OE2 3.17Å; S630-E633 PolarHBondContact O-N 3.08Å; S630-E633 VanDerWaalsContact O-N 3.12Å; S630-E633 VanDerWaalsContact OG-CG 3.31Å; S630-E633 WeakPolarHBondContact OG-CG 3.44Å; S630-E633 PolarHBondContact OG-N 3.11Å; S630-E633 PolarHBondContact OG-OE2 3.14Å; E633-Y637 WeakPolarHBondContact O-CB 3.36Å; E633-Y637 PolarHBondContact O-N 3.28Å; E633-P678 HydrophobicContact CG-CG 4.37Å; E633-S787 WeakPolarHBondContact OE1-CA 3.45Å; E633-S787 WeakPolarHBondContact OE1-CB 3.44Å; E633-S788 PolarHBondContact OE1-N 3.18Å; E633-S788 PolarHBondContact OE2-N 2.9Å; E633-S788 PolarHBondContact OE2-OG 2.96Å
634	R	93.6	Very high	90.5	Very high	60 Å²	60	60.4 Å²	60.4	23%	0.226	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-41.7	177.4	-176.5	67.1	114.5	-173.7	2	111.8	L629 S630 A631 Q632 Y637 E638 K918 D919	L629-R634 HydrophobicContact CB-CB 4.14Å; S630-R634 WeakPolarHBondContact O-CB 3.42Å; S630-R634 PolarHBondContact O-N 2.68Å; A631-R634 PolarHBondContact O-N 3.16Å; Q632-R634 VanDerWaalsContact C-N 3.27Å; Q632-R634 PolarHBondContact O-N 3.36Å; R634-Y637 PolarHBondContact O-N 2.72Å; R634-E638 WeakPolarHBondContact O-CB 3.36Å; R634-E638 WeakPolarHBondContact O-CG 3.19Å; R634-E638 PolarHBondContact O-N 2.86Å; R634-K918 PolarHBondContact NH1-O 2.91Å; R634-D919 IonicContact CZ-OD2 2.68Å; R634-D919 IonicContact NH2-OD2 3.72Å; R634-D919 PolarHBondContact NH2-OD2 2.79Å
635	E	91.8	Very high	90.2	Very high	131 Å²	131	60 Å²	60	61%	0.612	30%	0.304	S	S	*	.	H	α-helix	trans	-63.3	-50.3	175.1	-177.4	174.7	-156.1	0	0	111.2	A631 Q632 Y637 E638 L639	A631-E635 PolarHBondContact O-N 2.86Å; Q632-E635 PolarHBondContact O-N 3.36Å; E635-Y637 VanDerWaalsContact C-N 3.32Å; E635-Y637 PolarHBondContact O-N 3.45Å; E635-E638 PolarHBondContact O-N 3.35Å; E635-L639 HydrophobicContact CG-CD1 4.3Å; E635-L639 WeakPolarHBondContact O-CG 3.42Å; E635-L639 PolarHBondContact O-N 3.28Å
636	E	89.2	Confident	89.8	Confident	50 Å²	50	65.7 Å²	65.7	23%	0.234	32%	0.323	C	S	.	.	H	α-helix	trans	-55.3	-45.4	175	-69.3	172.1	-143.4	0	0	111.6	Q632 A640 Y674 R785	Q632-E636 VanDerWaalsContact O-CG 3.31Å; Q632-E636 WeakPolarHBondContact O-CG 3.5Å; Q632-E636 PolarHBondContact O-N 3.18Å; E636-A640 PolarHBondContact O-N 3.43Å; E636-Y674 HydrophobicContact CB-CD1 4.25Å; E636-Y674 HydrophobicContact CB-CE1 3.95Å; E636-R785 IonicContact OE1-CZ 3.19Å; E636-R785 IonicContact OE1-NH1 2.77Å; E636-R785 PolarHBondContact OE1-NH1 3.43Å; E636-R785 IonicContact OE1-NH2 3.34Å; E636-R785 PolarHBondContact OE1-NH2 2.74Å; E636-R785 IonicContact OE2-NH1 2.76Å
637	Y	91.1	Very high	89	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-46.5	177.8	175.4	-91.2	0	0	0	113	L629 E633 R634 E635 A640 R641 L671 C675 S920 V921	L629-Y637 HydrophobicContact CD1-CG 4.23Å; E633-Y637 WeakPolarHBondContact O-CB 3.36Å; E633-Y637 PolarHBondContact O-N 3.28Å; R634-Y637 PolarHBondContact O-N 2.72Å; E635-Y637 VanDerWaalsContact C-N 3.32Å; E635-Y637 PolarHBondContact O-N 3.45Å; Y637-A640 PolarHBondContact O-N 2.99Å; Y637-R641 HydrophobicContact CE1-CB 4.27Å; Y637-R641 WeakPolarHBondContact O-CB 3.47Å; Y637-R641 PolarHBondContact O-N 2.91Å; Y637-L671 HydrophobicContact CD2-CD2 4.31Å; Y637-L671 HydrophobicContact CE2-CB 4.03Å; Y637-L671 HydrophobicContact CE2-CD2 3.94Å; Y637-C675 VanDerWaalsContact CE2-SG 3.6Å; Y637-S920 WeakPolarHBondContact OH-CA 3.49Å; Y637-V921 PolarHBondContact OH-N 2.99Å
638	E	91.9	Very high	88.3	Confident	50 Å²	50	62.8 Å²	62.8	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-69.9	-32.6	-177.7	-78.6	-60.1	138.3	0	0	112.4	R634 E635 R641 N642	R634-E638 WeakPolarHBondContact O-CB 3.36Å; R634-E638 WeakPolarHBondContact O-CG 3.19Å; R634-E638 PolarHBondContact O-N 2.86Å; E635-E638 PolarHBondContact O-N 3.35Å; E638-R641 PolarHBondContact O-N 3.46Å; E638-R641 VanDerWaalsContact OE1-CD 3.24Å; E638-R641 WeakPolarHBondContact OE1-CD 3.41Å; E638-R641 IonicContact OE1-CZ 3.02Å; E638-R641 IonicContact OE1-NE 3.18Å; E638-R641 IonicContact OE1-NH1 3.4Å; E638-R641 PolarHBondContact OE1-NH1 2.93Å; E638-R641 VanDerWaalsContact OE2-CD 3.27Å; E638-R641 WeakPolarHBondContact OE2-CD 3.48Å; E638-N642 WeakPolarHBondContact O-CB 3.17Å; E638-N642 PolarHBondContact O-N 3.43Å; E638-N642 PolarHBondContact O-ND2 2.89Å
639	L	89.6	Confident	87.9	Confident	117 Å²	117	58 Å²	58	61%	0.613	30%	0.295	S	S	*	.	H	α-helix	trans	-58.7	-51.3	170.2	-72.5	169.7	0	0	0	110.9	E635 R641 N642 E643	E635-L639 HydrophobicContact CG-CD1 4.3Å; E635-L639 WeakPolarHBondContact O-CG 3.42Å; E635-L639 PolarHBondContact O-N 3.28Å; L639-R641 PolarHBondContact O-N 3.23Å; L639-N642 PolarHBondContact O-N 3.02Å; L639-E643 PolarHBondContact O-N 2.68Å
640	A	85.3	Confident	87.5	Confident	17 Å²	17	62.4 Å²	62.4	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-38.3	177.5	0	0	0	0	0	112.9	E636 Y637 E643 G644 L671 Y674	E636-A640 PolarHBondContact O-N 3.43Å; Y637-A640 PolarHBondContact O-N 2.99Å; A640-E643 PolarHBondContact O-N 2.66Å; A640-G644 PolarHBondContact O-N 3.1Å; A640-L671 HydrophobicContact CB-CD2 3.98Å; A640-Y674 HydrophobicContact CB-CD2 3.96Å; A640-Y674 HydrophobicContact CB-CE2 3.39Å
641	R	88.4	Confident	87	Confident	20 Å²	20	61.2 Å²	61.2	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-45	175.9	-174.1	-165.1	-172.3	151.7	1.4	110.9	Y637 E638 L639 G644 R645 L671 D919 E960	Y637-R641 HydrophobicContact CE1-CB 4.27Å; Y637-R641 WeakPolarHBondContact O-CB 3.47Å; Y637-R641 PolarHBondContact O-N 2.91Å; E638-R641 PolarHBondContact O-N 3.46Å; E638-R641 VanDerWaalsContact OE1-CD 3.24Å; E638-R641 WeakPolarHBondContact OE1-CD 3.41Å; E638-R641 IonicContact OE1-CZ 3.02Å; E638-R641 IonicContact OE1-NE 3.18Å; E638-R641 IonicContact OE1-NH1 3.4Å; E638-R641 PolarHBondContact OE1-NH1 2.93Å; E638-R641 VanDerWaalsContact OE2-CD 3.27Å; E638-R641 WeakPolarHBondContact OE2-CD 3.48Å; L639-R641 PolarHBondContact O-N 3.23Å; R641-G644 PolarHBondContact O-N 3.34Å; R641-R645 VanDerWaalsContact O-CB 3.24Å; R641-R645 WeakPolarHBondContact O-CB 3.15Å; R641-R645 PolarHBondContact O-N 2.99Å; R641-L671 HydrophobicContact CB-CD2 4.09Å; R641-D919 PolarHBondContact NH1-O 2.84Å; R641-E960 IonicContact CZ-OE2 3.83Å; R641-E960 IonicContact NH2-OE1 3.13Å; R641-E960 PolarHBondContact NH2-OE1 3.45Å; R641-E960 IonicContact NH2-OE2 2.71Å; R641-E960 PolarHBondContact NH2-OE2 3.46Å
642	N	89.7	Confident	86.6	Confident	55 Å²	55	58.4 Å²	58.4	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-70.2	-37	-178.9	-76.6	-60.1	0	0	0	112.5	E638 L639 R646	E638-N642 WeakPolarHBondContact O-CB 3.17Å; E638-N642 PolarHBondContact O-N 3.43Å; E638-N642 PolarHBondContact O-ND2 2.89Å; L639-N642 PolarHBondContact O-N 3.02Å; N642-R646 VanDerWaalsContact O-CG 3.3Å; N642-R646 WeakPolarHBondContact O-CG 3.42Å; N642-R646 PolarHBondContact O-N 2.98Å; N642-R646 VanDerWaalsContact O-N 3.08Å
643	E	84	Confident	86.3	Confident	128 Å²	128	57.7 Å²	57.7	60%	0.598	29%	0.285	S	S	*	.	H	α-helix	trans	-63.1	-46.7	170.4	-170.5	-172.8	168.5	0	0	111.9	L639 A640 R646 T647	L639-E643 PolarHBondContact O-N 2.68Å; A640-E643 PolarHBondContact O-N 2.66Å; E643-R646 PolarHBondContact O-N 3.47Å; E643-T647 WeakPolarHBondContact O-CB 3.38Å; E643-T647 PolarHBondContact O-N 3.49Å; E643-T647 PolarHBondContact O-OG1 2.84Å
644	G	81.6	Confident	85.9	Confident	3 Å²	3	62.3 Å²	62.3	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-46.8	176	0	0	0	0	0	112.8	A640 R641 R646 T647 I648	A640-G644 PolarHBondContact O-N 3.1Å; R641-G644 PolarHBondContact O-N 3.34Å; G644-R646 PolarHBondContact O-N 3.42Å; G644-T647 PolarHBondContact O-N 2.93Å; G644-I648 WeakPolarHBondContact O-CB 3.37Å; G644-I648 WeakPolarHBondContact O-CG1 3.3Å; G644-I648 PolarHBondContact O-N 3.49Å
645	R	87	Confident	85.2	Confident	71 Å²	71	62.5 Å²	62.5	27%	0.268	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-45.9	176.2	-179.6	177.3	-79.3	167.3	-4.3	111.8	R641 G649 L959 E960 V961	R641-R645 VanDerWaalsContact O-CB 3.24Å; R641-R645 WeakPolarHBondContact O-CB 3.15Å; R641-R645 PolarHBondContact O-N 2.99Å; R645-G649 PolarHBondContact O-N 3.03Å; R645-L959 VanDerWaalsContact CZ-O 3.32Å; R645-L959 PolarHBondContact NE-O 2.95Å; R645-L959 PolarHBondContact NH2-O 3.48Å; R645-E960 IonicContact NH2-OE2 2.75Å; R645-E960 PolarHBondContact NH2-OE2 3.48Å; R645-V961 HydrophobicContact CG-CG2 3.98Å
646	R	85.1	Confident	84.3	Confident	181 Å²	181	56.9 Å²	56.9	68%	0.683	30%	0.303	S	S	*	.	H	α-helix	trans	-62.1	-46.4	175.9	-71.8	175.7	-168.2	115.7	-2.4	111.9	N642 E643 G644 R650	N642-R646 VanDerWaalsContact O-CG 3.3Å; N642-R646 WeakPolarHBondContact O-CG 3.42Å; N642-R646 PolarHBondContact O-N 2.98Å; N642-R646 VanDerWaalsContact O-N 3.08Å; E643-R646 PolarHBondContact O-N 3.47Å; G644-R646 PolarHBondContact O-N 3.42Å; R646-R650 PolarHBondContact O-N 2.73Å; R646-R650 VanDerWaalsContact O-N 3.08Å
647	T	78.1	Confident	83.3	Confident	38 Å²	38	54.7 Å²	54.7	23%	0.233	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-44	-178.2	-60.8	0	0	0	0	111.8	E643 G644 R650 Y651 I667	E643-T647 WeakPolarHBondContact O-CB 3.38Å; E643-T647 PolarHBondContact O-N 3.49Å; E643-T647 PolarHBondContact O-OG1 2.84Å; G644-T647 PolarHBondContact O-N 2.93Å; T647-R650 PolarHBondContact O-N 3.38Å; T647-Y651 HydrophobicContact CG2-CD2 4.34Å; T647-Y651 HydrophobicContact CG2-CE2 3.66Å; T647-Y651 WeakPolarHBondContact O-CD2 3.17Å; T647-Y651 PolarHBondContact O-N 2.99Å; T647-I667 HydrophobicContact CG2-CD1 3.91Å
648	I	79.6	Confident	82.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-76.9	-37.1	-178.4	-68.2	169.1	0	0	0	111.1	G644 R650 Y651 V652 V664 I667 I955 L959	G644-I648 WeakPolarHBondContact O-CB 3.37Å; G644-I648 WeakPolarHBondContact O-CG1 3.3Å; G644-I648 PolarHBondContact O-N 3.49Å; I648-R650 VanDerWaalsContact C-N 3.29Å; I648-R650 PolarHBondContact O-N 3.22Å; I648-Y651 PolarHBondContact O-N 3.35Å; I648-Y651 VanDerWaalsContact O-N 3.09Å; I648-V652 HydrophobicContact CG2-CG2 4.4Å; I648-V652 WeakPolarHBondContact O-CG2 3.46Å; I648-V652 PolarHBondContact O-N 3.05Å; I648-V664 HydrophobicContact CD1-CB 4.41Å; I648-V664 HydrophobicContact CD1-CG1 3.98Å; I648-V664 HydrophobicContact CD1-CG2 4.47Å; I648-V664 HydrophobicContact CG1-CG2 4.24Å; I648-I667 HydrophobicContact CD1-CB 4.11Å; I648-I667 HydrophobicContact CD1-CD1 3.82Å; I648-I667 HydrophobicContact CD1-CG2 3.89Å; I648-I667 HydrophobicContact CG1-CD1 3.92Å; I648-I955 HydrophobicContact CG2-CG2 3.88Å; I648-L959 HydrophobicContact CB-CD1 4.26Å; I648-L959 HydrophobicContact CD1-CD1 3.23Å; I648-L959 HydrophobicContact CG1-CD1 4.3Å; I648-L959 HydrophobicContact CG2-CD1 4.18Å
649	G	84	Confident	80.8	Confident	23 Å²	23	64.6 Å²	64.6	24%	0.237	34%	0.338	C	S	.	.	H	α-helix	trans	-56.7	-41.1	170.7	0	0	0	0	0	112.7	R645 V652 A653	R645-G649 PolarHBondContact O-N 3.03Å; G649-V652 PolarHBondContact O-N 2.67Å; G649-A653 PolarHBondContact O-N 3.13Å
650	R	84.6	Confident	79.5	Confident	111 Å²	111	61.1 Å²	61.1	42%	0.419	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-47.4	171.8	-177.2	179.5	56.7	70	5.4	111.9	R646 T647 I648 V652 A653 E654	R646-R650 PolarHBondContact O-N 2.73Å; R646-R650 VanDerWaalsContact O-N 3.08Å; T647-R650 PolarHBondContact O-N 3.38Å; I648-R650 VanDerWaalsContact C-N 3.29Å; I648-R650 PolarHBondContact O-N 3.22Å; R650-V652 VanDerWaalsContact C-N 3.3Å; R650-V652 PolarHBondContact O-N 3.44Å; R650-A653 PolarHBondContact O-N 3.48Å; R650-E654 WeakPolarHBondContact CD-OE1 3.38Å; R650-E654 HydrophobicContact CG-CG 4.45Å; R650-E654 VanDerWaalsContact CG-OE1 3.22Å; R650-E654 WeakPolarHBondContact CG-OE1 3.31Å; R650-E654 IonicContact CZ-OE1 3.58Å; R650-E654 IonicContact NH1-OE1 3.82Å; R650-E654 PolarHBondContact NH1-OE1 2.93Å; R650-E654 IonicContact NH1-OE2 3.63Å; R650-E654 PolarHBondContact NH1-OE2 3.02Å; R650-E654 WeakPolarHBondContact O-CB 3.39Å; R650-E654 VanDerWaalsContact O-CG 3.31Å; R650-E654 WeakPolarHBondContact O-CG 3.48Å; R650-E654 PolarHBondContact O-N 3.45Å
651	Y	81.6	Confident	78.5	Confident	23 Å²	23	63.4 Å²	63.4	9%	0.09	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-31.7	176.7	-62.3	-41.3	0	0	0	113.6	T647 I648 G655 S656 V657 N660 D663 V664	T647-Y651 HydrophobicContact CG2-CD2 4.34Å; T647-Y651 HydrophobicContact CG2-CE2 3.66Å; T647-Y651 WeakPolarHBondContact O-CD2 3.17Å; T647-Y651 PolarHBondContact O-N 2.99Å; I648-Y651 PolarHBondContact O-N 3.35Å; I648-Y651 VanDerWaalsContact O-N 3.09Å; Y651-G655 PolarHBondContact O-N 3.46Å; Y651-S656 WeakPolarHBondContact CA-OG 3.37Å; Y651-S656 WeakPolarHBondContact CD1-OG 3.35Å; Y651-S656 PolarHBondContact O-N 3.37Å; Y651-S656 PolarHBondContact O-OG 2.89Å; Y651-V657 WeakPolarHBondContact O-CG2 3.16Å; Y651-V657 PolarHBondContact O-N 2.82Å; Y651-N660 HydrophobicContact CD1-CB 4Å; Y651-N660 WeakPolarHBondContact CD1-ND2 3.47Å; Y651-N660 HydrophobicContact CD2-CB 4.01Å; Y651-N660 HydrophobicContact CE1-CB 3.75Å; Y651-N660 VanDerWaalsContact CE1-CG 3.46Å; Y651-N660 WeakPolarHBondContact CE1-ND2 3.45Å; Y651-N660 HydrophobicContact CE2-CB 3.81Å; Y651-N660 HydrophobicContact CG-CB 4.11Å; Y651-D663 HydrophobicContact CE2-CB 4.23Å; Y651-V664 HydrophobicContact CD2-CG2 4.44Å
652	V	82.4	Confident	76.9	Confident	31 Å²	31	63.5 Å²	63.5	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-67.8	-46.3	174	172.7	0	0	0	0	110.4	I648 G649 R650 E654 G655 V657 V961	I648-V652 HydrophobicContact CG2-CG2 4.4Å; I648-V652 WeakPolarHBondContact O-CG2 3.46Å; I648-V652 PolarHBondContact O-N 3.05Å; G649-V652 PolarHBondContact O-N 2.67Å; R650-V652 VanDerWaalsContact C-N 3.3Å; R650-V652 PolarHBondContact O-N 3.44Å; V652-E654 PolarHBondContact O-N 3.24Å; V652-G655 PolarHBondContact O-N 3.29Å; V652-G655 VanDerWaalsContact O-N 3.13Å; V652-V657 HydrophobicContact CB-CG2 4.22Å; V652-V657 HydrophobicContact CG2-CG2 3.64Å; V652-V961 HydrophobicContact CG2-CG1 4.27Å
653	A	83.3	Confident	75.5	Confident	93 Å²	93	62.3 Å²	62.3	77%	0.769	32%	0.324	S	S	*	.	H	α-helix	trans	-63.7	-37.6	177.3	0	0	0	0	0	112.9	G649 R650 G655	G649-A653 PolarHBondContact O-N 3.13Å; R650-A653 PolarHBondContact O-N 3.48Å; A653-G655 VanDerWaalsContact C-N 3.26Å; A653-G655 PolarHBondContact O-N 2.98Å
654	E	82.3	Confident	74.8	Confident	104 Å²	104	56.2 Å²	56.2	49%	0.486	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.4	174.4	-70.8	169.5	-170.5	0	0	114	R650 V652 S656	R650-E654 WeakPolarHBondContact CD-OE1 3.38Å; R650-E654 HydrophobicContact CG-CG 4.45Å; R650-E654 VanDerWaalsContact CG-OE1 3.22Å; R650-E654 WeakPolarHBondContact CG-OE1 3.31Å; R650-E654 IonicContact CZ-OE1 3.58Å; R650-E654 IonicContact NH1-OE1 3.82Å; R650-E654 PolarHBondContact NH1-OE1 2.93Å; R650-E654 IonicContact NH1-OE2 3.63Å; R650-E654 PolarHBondContact NH1-OE2 3.02Å; R650-E654 WeakPolarHBondContact O-CB 3.39Å; R650-E654 VanDerWaalsContact O-CG 3.31Å; R650-E654 WeakPolarHBondContact O-CG 3.48Å; R650-E654 PolarHBondContact O-N 3.45Å; V652-E654 PolarHBondContact O-N 3.24Å; E654-S656 WeakPolarHBondContact CB-OG 3.4Å; E654-S656 PolarHBondContact O-N 3.33Å; E654-S656 PolarHBondContact OE2-OG 3.39Å
655	G	77.8	Confident	74.1	Confident	65 Å²	65	56.8 Å²	56.8	67%	0.67	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	18.5	-168.1	0	0	0	0	0	113.9	Y651 V652 A653	Y651-G655 PolarHBondContact O-N 3.46Å; V652-G655 PolarHBondContact O-N 3.29Å; V652-G655 VanDerWaalsContact O-N 3.13Å; A653-G655 VanDerWaalsContact C-N 3.26Å; A653-G655 PolarHBondContact O-N 2.98Å
656	S	73.6	Confident	73	Confident	12 Å²	12	54 Å²	54	8%	0.084	29%	0.291	C	S	.	.			trans	-97.2	-0.6	-170.5	72.5	0	0	0	0	114.1	Y651 E654 L658 K659 N660	Y651-S656 WeakPolarHBondContact CA-OG 3.37Å; Y651-S656 WeakPolarHBondContact CD1-OG 3.35Å; Y651-S656 PolarHBondContact O-N 3.37Å; Y651-S656 PolarHBondContact O-OG 2.89Å; E654-S656 WeakPolarHBondContact CB-OG 3.4Å; E654-S656 PolarHBondContact O-N 3.33Å; E654-S656 PolarHBondContact OE2-OG 3.39Å; S656-L658 VanDerWaalsContact C-N 3.33Å; S656-L658 PolarHBondContact O-N 3.08Å; S656-L658 VanDerWaalsContact O-N 3.15Å; S656-K659 WeakPolarHBondContact O-CA 3.38Å; S656-K659 WeakPolarHBondContact O-CB 3.28Å; S656-K659 PolarHBondContact O-N 3.5Å; S656-N660 PolarHBondContact O-N 3.01Å; S656-N660 PolarHBondContact O-ND2 3.42Å; S656-N660 PolarHBondContact OG-ND2 2.9Å; S656-N660 VanDerWaalsContact OG-ND2 3.11Å
657	V	69.1	Low	72.6	Confident	4 Å²	4	47 Å²	47	2%	0.024	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-49.5	-176.5	-173	0	0	0	0	114	Y651 V652 K659 N660 Y661 V664 I952 I955	Y651-V657 WeakPolarHBondContact O-CG2 3.16Å; Y651-V657 PolarHBondContact O-N 2.82Å; V652-V657 HydrophobicContact CB-CG2 4.22Å; V652-V657 HydrophobicContact CG2-CG2 3.64Å; V657-K659 VanDerWaalsContact C-N 3.32Å; V657-K659 PolarHBondContact O-N 3.4Å; V657-N660 CarbonylContact O-C 3.54Å; V657-N660 PolarHBondContact O-N 2.92Å; V657-Y661 WeakPolarHBondContact O-CA 3.23Å; V657-Y661 PolarHBondContact O-N 3.15Å; V657-V664 HydrophobicContact CG1-CG2 4.26Å; V657-I952 HydrophobicContact CB-CG1 4.49Å; V657-I952 HydrophobicContact CG1-CG1 4.48Å; V657-I955 HydrophobicContact CG1-CD1 3.73Å
658	L	64.8	Low	72.5	Confident	72 Å²	72	45.3 Å²	45.3	38%	0.377	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22	-178.1	-65.6	176.7	0	0	0	113.5	S656 K948 I952	S656-L658 VanDerWaalsContact C-N 3.33Å; S656-L658 PolarHBondContact O-N 3.08Å; S656-L658 VanDerWaalsContact O-N 3.15Å; L658-K948 HydrophobicContact CD1-CB 3.8Å; L658-K948 HydrophobicContact CD1-CD 4.33Å; L658-K948 HydrophobicContact CD1-CG 3.83Å; L658-I952 HydrophobicContact CD1-CD1 4.21Å; L658-I952 HydrophobicContact CD2-CG1 4.44Å; L658-I952 HydrophobicContact CG-CD1 4.25Å; L658-I952 HydrophobicContact CG-CG1 4.33Å
659	K	64.1	Low	72.4	Confident	189 Å²	189	45.6 Å²	45.6	82%	0.822	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-36	172.3	-60.1	179.3	-179.3	174.6	0	111	S656 V657	S656-K659 WeakPolarHBondContact O-CA 3.38Å; S656-K659 WeakPolarHBondContact O-CB 3.28Å; S656-K659 PolarHBondContact O-N 3.5Å; V657-K659 VanDerWaalsContact C-N 3.32Å; V657-K659 PolarHBondContact O-N 3.4Å
660	N	64.3	Low	72.2	Confident	43 Å²	43	48.8 Å²	48.8	23%	0.23	26%	0.262	C	S	.	.	S	Bend	trans	-98.7	22.6	-179.7	-59.3	-50.2	0	0	0	112.7	Y651 S656 V657 A662 D663 V664	Y651-N660 HydrophobicContact CD1-CB 4Å; Y651-N660 WeakPolarHBondContact CD1-ND2 3.47Å; Y651-N660 HydrophobicContact CD2-CB 4.01Å; Y651-N660 HydrophobicContact CE1-CB 3.75Å; Y651-N660 VanDerWaalsContact CE1-CG 3.46Å; Y651-N660 WeakPolarHBondContact CE1-ND2 3.45Å; Y651-N660 HydrophobicContact CE2-CB 3.81Å; Y651-N660 HydrophobicContact CG-CB 4.11Å; S656-N660 PolarHBondContact O-N 3.01Å; S656-N660 PolarHBondContact O-ND2 3.42Å; S656-N660 PolarHBondContact OG-ND2 2.9Å; S656-N660 VanDerWaalsContact OG-ND2 3.11Å; V657-N660 CarbonylContact O-C 3.54Å; V657-N660 PolarHBondContact O-N 2.92Å; N660-A662 VanDerWaalsContact C-N 3.26Å; N660-A662 PolarHBondContact O-N 2.93Å; N660-D663 WeakPolarHBondContact O-CB 3.48Å; N660-D663 PolarHBondContact O-N 3.18Å; N660-V664 PolarHBondContact O-N 2.98Å; N660-V664 VanDerWaalsContact O-N 3.17Å
661	Y	62.5	Low	72.3	Confident	65 Å²	65	43.6 Å²	43.6	26%	0.255	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-34	-171.2	-171.1	-118.3	0	0	0	113.2	V657 D663 V664 L665 I955	V657-Y661 WeakPolarHBondContact O-CA 3.23Å; V657-Y661 PolarHBondContact O-N 3.15Å; Y661-D663 VanDerWaalsContact C-N 3.32Å; Y661-D663 PolarHBondContact O-N 3.12Å; Y661-V664 WeakPolarHBondContact O-CB 3.33Å; Y661-V664 PolarHBondContact O-N 2.67Å; Y661-L665 HydrophobicContact CD1-CD1 3.94Å; Y661-L665 HydrophobicContact CD1-CG 4.3Å; Y661-L665 HydrophobicContact CE1-CD1 3.64Å; Y661-L665 HydrophobicContact CE1-CD2 4.35Å; Y661-L665 HydrophobicContact CE1-CG 4.04Å; Y661-L665 HydrophobicContact CE2-CD2 4.48Å; Y661-L665 WeakPolarHBondContact O-CG 3.31Å; Y661-L665 PolarHBondContact O-N 3.42Å; Y661-I955 HydrophobicContact CD2-CD1 3.99Å; Y661-I955 HydrophobicContact CE2-CD1 3.72Å
662	A	55.5	Low	72.6	Confident	23 Å²	23	42.6 Å²	42.6	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-35.8	173.8	0	0	0	0	0	113	N660 A666	N660-A662 VanDerWaalsContact C-N 3.26Å; N660-A662 PolarHBondContact O-N 2.93Å; A662-A666 WeakPolarHBondContact O-CB 3.34Å; A662-A666 PolarHBondContact O-N 3.08Å
663	D	60.8	Low	72.7	Confident	30 Å²	30	42.2 Å²	42.2	16%	0.16	24%	0.235	C	C	.	.	H	α-helix	trans	-73.3	-34.6	176.4	-64	-47	0	0	0	111	Y651 N660 Y661 A666 I667 K704	Y651-D663 HydrophobicContact CE2-CB 4.23Å; N660-D663 WeakPolarHBondContact O-CB 3.48Å; N660-D663 PolarHBondContact O-N 3.18Å; Y661-D663 VanDerWaalsContact C-N 3.32Å; Y661-D663 PolarHBondContact O-N 3.12Å; D663-A666 PolarHBondContact O-N 3.45Å; D663-I667 WeakPolarHBondContact O-CD1 3.37Å; D663-I667 VanDerWaalsContact O-CG1 3.31Å; D663-I667 WeakPolarHBondContact O-CG1 3.41Å; D663-I667 PolarHBondContact O-N 3.22Å; D663-I667 VanDerWaalsContact O-N 3.1Å; D663-K704 WeakPolarHBondContact OD1-CE 3.41Å; D663-K704 IonicContact OD1-NZ 3.47Å; D663-K704 PolarHBondContact OD1-NZ 2.87Å; D663-K704 IonicContact OD2-NZ 3.16Å; D663-K704 PolarHBondContact OD2-NZ 3.3Å
664	V	69.8	Low	73	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-49.6	171.2	-179.5	0	0	0	0	111.1	I648 Y651 V657 N660 Y661 A666 I667 L668 I955	I648-V664 HydrophobicContact CD1-CB 4.41Å; I648-V664 HydrophobicContact CD1-CG1 3.98Å; I648-V664 HydrophobicContact CD1-CG2 4.47Å; I648-V664 HydrophobicContact CG1-CG2 4.24Å; Y651-V664 HydrophobicContact CD2-CG2 4.44Å; V657-V664 HydrophobicContact CG1-CG2 4.26Å; N660-V664 PolarHBondContact O-N 2.98Å; N660-V664 VanDerWaalsContact O-N 3.17Å; Y661-V664 WeakPolarHBondContact O-CB 3.33Å; Y661-V664 PolarHBondContact O-N 2.67Å; V664-A666 VanDerWaalsContact C-N 3.34Å; V664-A666 PolarHBondContact O-N 3.25Å; V664-I667 PolarHBondContact O-N 3.43Å; V664-L668 HydrophobicContact CG1-CD1 4.01Å; V664-L668 WeakPolarHBondContact O-CG 3.29Å; V664-L668 PolarHBondContact O-N 3.43Å; V664-I955 HydrophobicContact CG1-CD1 4.07Å; V664-I955 HydrophobicContact CG1-CG1 4.06Å; V664-I955 HydrophobicContact CG1-CG2 3.71Å
665	L	65.4	Low	73.4	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-38.7	178.4	-70.3	-179.6	0	0	0	112.2	Y661 L668 M669 V708	Y661-L665 HydrophobicContact CD1-CD1 3.94Å; Y661-L665 HydrophobicContact CD1-CG 4.3Å; Y661-L665 HydrophobicContact CE1-CD1 3.64Å; Y661-L665 HydrophobicContact CE1-CD2 4.35Å; Y661-L665 HydrophobicContact CE1-CG 4.04Å; Y661-L665 HydrophobicContact CE2-CD2 4.48Å; Y661-L665 WeakPolarHBondContact O-CG 3.31Å; Y661-L665 PolarHBondContact O-N 3.42Å; L665-L668 PolarHBondContact O-N 3.11Å; L665-M669 WeakPolarHBondContact O-CB 3.28Å; L665-M669 PolarHBondContact O-N 3.39Å; L665-V708 HydrophobicContact CD1-CG2 4.46Å
666	A	65.3	Low	73.9	Confident	14 Å²	14	32.1 Å²	32.1	12%	0.116	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-48.3	174.4	0	0	0	0	0	112.4	A662 D663 V664 M669 R670 L707	A662-A666 WeakPolarHBondContact O-CB 3.34Å; A662-A666 PolarHBondContact O-N 3.08Å; D663-A666 PolarHBondContact O-N 3.45Å; V664-A666 VanDerWaalsContact C-N 3.34Å; V664-A666 PolarHBondContact O-N 3.25Å; A666-M669 PolarHBondContact O-N 2.69Å; A666-R670 PolarHBondContact O-N 3.45Å; A666-L707 HydrophobicContact CB-CB 4.47Å; A666-L707 HydrophobicContact CB-CD1 3.75Å
667	I	74.9	Confident	74.6	Confident	32 Å²	32	31.6 Å²	31.6	16%	0.164	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-50.9	176.8	-69.6	162.4	0	0	0	110.5	T647 I648 D663 V664 M669 R670 L671	T647-I667 HydrophobicContact CG2-CD1 3.91Å; I648-I667 HydrophobicContact CD1-CB 4.11Å; I648-I667 HydrophobicContact CD1-CD1 3.82Å; I648-I667 HydrophobicContact CD1-CG2 3.89Å; I648-I667 HydrophobicContact CG1-CD1 3.92Å; D663-I667 WeakPolarHBondContact O-CD1 3.37Å; D663-I667 VanDerWaalsContact O-CG1 3.31Å; D663-I667 WeakPolarHBondContact O-CG1 3.41Å; D663-I667 PolarHBondContact O-N 3.22Å; D663-I667 VanDerWaalsContact O-N 3.1Å; V664-I667 PolarHBondContact O-N 3.43Å; I667-M669 VanDerWaalsContact C-N 3.28Å; I667-M669 PolarHBondContact O-N 2.84Å; I667-R670 PolarHBondContact O-N 2.87Å; I667-L671 HydrophobicContact CG2-CD1 4.3Å; I667-L671 WeakPolarHBondContact O-CG 3.3Å; I667-L671 PolarHBondContact O-N 3.17Å
668	L	77.6	Confident	75.3	Confident	4 Å²	4	32 Å²	32	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-37.1	179	-70.1	171.3	0	0	0	112.2	V664 L665 R672 V921 L958 L959	V664-L668 HydrophobicContact CG1-CD1 4.01Å; V664-L668 WeakPolarHBondContact O-CG 3.29Å; V664-L668 PolarHBondContact O-N 3.43Å; L665-L668 PolarHBondContact O-N 3.11Å; L668-R672 WeakPolarHBondContact O-CD 3.25Å; L668-R672 VanDerWaalsContact O-CG 3.31Å; L668-R672 WeakPolarHBondContact O-CG 2.86Å; L668-R672 PolarHBondContact O-N 3.36Å; L668-V921 HydrophobicContact CD2-CG2 3.87Å; L668-L958 HydrophobicContact CD1-CD1 3.88Å; L668-L958 HydrophobicContact CD2-CB 4.02Å; L668-L958 HydrophobicContact CD2-CD1 4.17Å; L668-L959 HydrophobicContact CD2-CD1 4.06Å; L668-L959 HydrophobicContact CD2-CD2 4.25Å; L668-L959 HydrophobicContact CD2-CG 4.02Å
669	M	77.4	Confident	76	Confident	6 Å²	6	31.5 Å²	31.5	3%	0.03	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-43.5	176.2	-161	-160.6	95.2	0	0	111.9	L665 A666 I667 L671 R672 Q673 L707 A710 F815	L665-M669 WeakPolarHBondContact O-CB 3.28Å; L665-M669 PolarHBondContact O-N 3.39Å; A666-M669 PolarHBondContact O-N 2.69Å; I667-M669 VanDerWaalsContact C-N 3.28Å; I667-M669 PolarHBondContact O-N 2.84Å; M669-L671 VanDerWaalsContact C-N 3.33Å; M669-L671 PolarHBondContact O-N 2.8Å; M669-R672 WeakPolarHBondContact O-CB 3.24Å; M669-R672 PolarHBondContact O-N 2.93Å; M669-R672 VanDerWaalsContact O-N 3.12Å; M669-Q673 HydrophobicContact CE-CG 3.98Å; M669-Q673 VanDerWaalsContact CE-OE1 3.26Å; M669-Q673 PolarHBondContact O-N 3.48Å; M669-L707 HydrophobicContact CE-CD2 3.45Å; M669-L707 VanDerWaalsContact CE-CD2 3.45Å; M669-L707 HydrophobicContact SD-CB 4.28Å; M669-L707 HydrophobicContact SD-CD2 4.01Å; M669-A710 HydrophobicContact CE-CB 4.27Å; M669-A710 HydrophobicContact SD-CB 3.66Å; M669-F815 HydrophobicContact CG-CE1 4.25Å
670	R	80.1	Confident	76.6	Confident	89 Å²	89	22.9 Å²	22.9	34%	0.336	11%	0.113	S	C	.	.	H	α-helix	trans	-58.2	-44.8	176.5	-114.7	176.6	-174	161.6	3	111.7	A666 I667 R672 Q673 Y674	A666-R670 PolarHBondContact O-N 3.45Å; I667-R670 PolarHBondContact O-N 2.87Å; R670-R672 VanDerWaalsContact C-N 3.28Å; R670-R672 PolarHBondContact O-N 3.43Å; R670-Q673 WeakPolarHBondContact O-CB 3.3Å; R670-Q673 PolarHBondContact O-N 3.39Å; R670-Y674 VanDerWaalsContact O-CD2 3.23Å; R670-Y674 WeakPolarHBondContact O-CD2 3.29Å; R670-Y674 PolarHBondContact O-N 3.38Å
671	L	84.9	Confident	77	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-38.3	176	-66	174.7	0	0	0	112.4	Y637 A640 R641 I667 M669 Y674 C675 V921 L959	Y637-L671 HydrophobicContact CD2-CD2 4.31Å; Y637-L671 HydrophobicContact CE2-CB 4.03Å; Y637-L671 HydrophobicContact CE2-CD2 3.94Å; A640-L671 HydrophobicContact CB-CD2 3.98Å; R641-L671 HydrophobicContact CB-CD2 4.09Å; I667-L671 HydrophobicContact CG2-CD1 4.3Å; I667-L671 WeakPolarHBondContact O-CG 3.3Å; I667-L671 PolarHBondContact O-N 3.17Å; M669-L671 VanDerWaalsContact C-N 3.33Å; M669-L671 PolarHBondContact O-N 2.8Å; L671-Y674 PolarHBondContact O-N 3.34Å; L671-C675 PolarHBondContact O-N 3.07Å; L671-C675 VanDerWaalsContact O-N 3.12Å; L671-C675 PolarHBondContact O-SG 3.26Å; L671-V921 HydrophobicContact CB-CB 4.29Å; L671-V921 HydrophobicContact CB-CG1 3.73Å; L671-L959 HydrophobicContact CD1-CD2 3.59Å
672	R	88.4	Confident	76.8	Confident	2 Å²	2	21 Å²	21	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-69.7	-32.3	174.5	-65.5	164.3	78	-143.3	11.4	112.5	L668 M669 R670 C675 C676 S711 F815 P887 V921 M925	L668-R672 WeakPolarHBondContact O-CD 3.25Å; L668-R672 VanDerWaalsContact O-CG 3.31Å; L668-R672 WeakPolarHBondContact O-CG 2.86Å; L668-R672 PolarHBondContact O-N 3.36Å; M669-R672 WeakPolarHBondContact O-CB 3.24Å; M669-R672 PolarHBondContact O-N 2.93Å; M669-R672 VanDerWaalsContact O-N 3.12Å; R670-R672 VanDerWaalsContact C-N 3.28Å; R670-R672 PolarHBondContact O-N 3.43Å; R672-C675 WeakPolarHBondContact O-CB 3.45Å; R672-C675 PolarHBondContact O-N 3.26Å; R672-C676 PolarHBondContact O-N 2.88Å; R672-C676 PolarHBondContact O-SG 3.18Å; R672-S711 PolarHBondContact NH1-O 2.81Å; R672-F815 HydrophobicContact CB-CE2 4.48Å; R672-F815 HydrophobicContact CB-CZ 4.23Å; R672-P887 PolarHBondContact NH2-O 3.27Å; R672-V921 HydrophobicContact CG-CG1 3.7Å; R672-M925 VanDerWaalsContact CD-SD 3.54Å; R672-M925 HydrophobicContact CG-SD 4.14Å; R672-M925 PolarHBondContact NE-SD 3.43Å
673	Q	85	Confident	76.1	Confident	24 Å²	24	29.6 Å²	29.6	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-44.6	172	-69	177.1	-60.8	0	0	111.9	M669 R670 C675 C676 H677 L680 I681 F815	M669-Q673 HydrophobicContact CE-CG 3.98Å; M669-Q673 VanDerWaalsContact CE-OE1 3.26Å; M669-Q673 PolarHBondContact O-N 3.48Å; R670-Q673 WeakPolarHBondContact O-CB 3.3Å; R670-Q673 PolarHBondContact O-N 3.39Å; Q673-C675 PolarHBondContact O-N 2.98Å; Q673-C676 WeakPolarHBondContact O-CA 3.32Å; Q673-C676 PolarHBondContact O-N 3.36Å; Q673-H677 PolarHBondContact O-N 3.48Å; Q673-L680 HydrophobicContact CB-CB 4.05Å; Q673-L680 HydrophobicContact CB-CD1 4.48Å; Q673-L680 HydrophobicContact CG-CB 4.21Å; Q673-L680 PolarHBondContact NE2-O 3.36Å; Q673-L680 VanDerWaalsContact NE2-O 3.16Å; Q673-I681 HydrophobicContact CB-CD1 4.45Å; Q673-I681 HydrophobicContact CB-CG1 3.99Å; Q673-F815 HydrophobicContact CG-CE1 4.49Å
674	Y	88.6	Confident	75.3	Confident	48 Å²	48	32.4 Å²	32.4	19%	0.188	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-38.3	172.8	-80.6	-74.2	0	0	0	111.8	E636 A640 R670 L671 C676 I681	E636-Y674 HydrophobicContact CB-CD1 4.25Å; E636-Y674 HydrophobicContact CB-CE1 3.95Å; A640-Y674 HydrophobicContact CB-CD2 3.96Å; A640-Y674 HydrophobicContact CB-CE2 3.39Å; R670-Y674 VanDerWaalsContact O-CD2 3.23Å; R670-Y674 WeakPolarHBondContact O-CD2 3.29Å; R670-Y674 PolarHBondContact O-N 3.38Å; L671-Y674 PolarHBondContact O-N 3.34Å; Y674-C676 PolarHBondContact O-N 3.34Å; Y674-I681 HydrophobicContact CD1-CD1 3.28Å; Y674-I681 HydrophobicContact CD2-CD1 3.6Å; Y674-I681 HydrophobicContact CE1-CD1 3.33Å; Y674-I681 HydrophobicContact CE2-CD1 3.64Å; Y674-I681 HydrophobicContact CG-CD1 3.4Å; Y674-I681 VanDerWaalsContact CG-CD1 3.4Å
675	C	90.8	Very high	73.6	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-22.5	174.5	-64.3	0	0	0	0	113.5	Y637 L671 R672 Q673 K789 V917 E922	Y637-C675 VanDerWaalsContact CE2-SG 3.6Å; L671-C675 PolarHBondContact O-N 3.07Å; L671-C675 VanDerWaalsContact O-N 3.12Å; L671-C675 PolarHBondContact O-SG 3.26Å; R672-C675 WeakPolarHBondContact O-CB 3.45Å; R672-C675 PolarHBondContact O-N 3.26Å; Q673-C675 PolarHBondContact O-N 2.98Å; C675-K789 WeakPolarHBondContact O-CD 3.47Å; C675-K789 WeakPolarHBondContact O-CE 3.4Å; C675-K789 WeakPolarHBondContact O-CG 3.43Å; C675-V917 HydrophobicContact CB-CB 4.25Å; C675-V917 HydrophobicContact CB-CG2 3.73Å; C675-V917 WeakPolarHBondContact O-CG2 3.32Å; C675-E922 HydrophobicContact CB-CG 4.06Å
676	C	89.3	Confident	72.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-95.5	-60.1	-176.8	-67.1	0	0	0	0	112.5	R672 Q673 Y674 L680 S787 F818	R672-C676 PolarHBondContact O-N 2.88Å; R672-C676 PolarHBondContact O-SG 3.18Å; Q673-C676 WeakPolarHBondContact O-CA 3.32Å; Q673-C676 PolarHBondContact O-N 3.36Å; Y674-C676 PolarHBondContact O-N 3.34Å; C676-L680 HydrophobicContact CB-CD1 3.54Å; C676-S787 WeakPolarHBondContact O-CB 3.47Å; C676-S787 PolarHBondContact O-OG 2.89Å; C676-F818 HydrophobicContact CB-CD1 3.82Å; C676-F818 HydrophobicContact CB-CE1 3.64Å; C676-F818 HydrophobicContact CB-CE2 4.42Å; C676-F818 HydrophobicContact CB-CG 4.28Å; C676-F818 HydrophobicContact CB-CZ 3.98Å; C676-F818 WeakPolarHBondContact O-CZ 3.39Å
677	H	88.8	Confident	70.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.			trans	-166.3	136.5	-178.1	-158.1	-88	0	0	0	112	Q673 D679 L680 W784 R785 S787 F818 V821	Q673-H677 PolarHBondContact O-N 3.48Å; H677-D679 IonicContact CE1-OD1 2.67Å; H677-D679 IonicContact CE1-OD2 2.78Å; H677-D679 WeakPolarHBondContact ND1-CB 3.3Å; H677-D679 PolarHBondContact ND1-N 3.1Å; H677-D679 IonicContact ND1-OD1 3.83Å; H677-D679 IonicContact ND1-OD2 2.65Å; H677-D679 PolarHBondContact O-N 2.95Å; H677-L680 HydrophobicContact CB-CD1 4.06Å; H677-L680 HydrophobicContact CB-CG 4.07Å; H677-L680 WeakPolarHBondContact O-CB 3.32Å; H677-L680 PolarHBondContact O-N 3.28Å; H677-W784 AromaticContact CE1-CH2 3.7Å; H677-W784 AromaticContact CE1-CZ2 3.98Å; H677-W784 AromaticContact NE2-CH2 3.88Å; H677-W784 AromaticContact NE2-CZ2 3.73Å; H677-R785 PolarHBondContact CE1-O 2.93Å; H677-R785 PolarHBondContact NE2-O 2.79Å; H677-S787 VanDerWaalsContact CD2-CB 3.4Å; H677-S787 WeakPolarHBondContact CD2-CB 3.41Å; H677-S787 PolarHBondContact CD2-OG 2.65Å; H677-F818 HydrophobicContact CB-CD2 4.08Å; H677-F818 HydrophobicContact CB-CE2 3.88Å; H677-V821 HydrophobicContact CB-CG1 4.18Å
678	P	83.6	Confident	68.9	Low	14 Å²	14	51 Å²	51	9%	0.091	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-53.1	-45.8	176.9	-28.6	36.1	0	0	0	113.8	E633 L680 I681	E633-P678 HydrophobicContact CG-CG 4.37Å; P678-L680 PolarHBondContact O-N 2.95Å; P678-I681 WeakPolarHBondContact O-CA 3.49Å; P678-I681 VanDerWaalsContact O-CB 3.27Å; P678-I681 WeakPolarHBondContact O-CB 3.46Å; P678-I681 PolarHBondContact O-N 3.23Å
679	D	79.6	Confident	66.9	Low	61 Å²	61	54.6 Å²	54.6	33%	0.326	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-64.2	-6.9	-177.3	-55.1	10.1	0	0	0	115.6	H677 I681 W784	H677-D679 IonicContact CE1-OD1 2.67Å; H677-D679 IonicContact CE1-OD2 2.78Å; H677-D679 WeakPolarHBondContact ND1-CB 3.3Å; H677-D679 PolarHBondContact ND1-N 3.1Å; H677-D679 IonicContact ND1-OD1 3.83Å; H677-D679 IonicContact ND1-OD2 2.65Å; H677-D679 PolarHBondContact O-N 2.95Å; D679-I681 PolarHBondContact O-N 3.38Å; D679-W784 VanDerWaalsContact OD2-CZ3 3.26Å; D679-W784 WeakPolarHBondContact OD2-CZ3 3.2Å
680	L	76.8	Confident	65.2	Low	8 Å²	8	59.5 Å²	59.5	4%	0.042	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-71.3	-18.9	167.3	-63	172.5	0	0	0	112	Q673 C676 H677 P678 G682 R817 F818 V821	Q673-L680 HydrophobicContact CB-CB 4.05Å; Q673-L680 HydrophobicContact CB-CD1 4.48Å; Q673-L680 HydrophobicContact CG-CB 4.21Å; Q673-L680 PolarHBondContact NE2-O 3.36Å; Q673-L680 VanDerWaalsContact NE2-O 3.16Å; C676-L680 HydrophobicContact CB-CD1 3.54Å; H677-L680 HydrophobicContact CB-CD1 4.06Å; H677-L680 HydrophobicContact CB-CG 4.07Å; H677-L680 WeakPolarHBondContact O-CB 3.32Å; H677-L680 PolarHBondContact O-N 3.28Å; P678-L680 PolarHBondContact O-N 2.95Å; L680-G682 PolarHBondContact O-N 3.42Å; L680-R817 HydrophobicContact CD2-CB 3.6Å; L680-F818 HydrophobicContact CD1-CB 4.08Å; L680-F818 HydrophobicContact CD1-CD2 4.33Å; L680-F818 HydrophobicContact CD1-CG 4.2Å; L680-F818 HydrophobicContact CD2-CB 4.03Å; L680-V821 HydrophobicContact CD2-CG2 4.38Å
681	I	72.1	Confident	63	Low	41 Å²	41	58 Å²	58	21%	0.21	35%	0.354	C	S	.	.	S	Bend	trans	-101.7	72.4	-179.4	-49.6	163.9	0	0	0	106.1	Q673 Y674 P678 D679	Q673-I681 HydrophobicContact CB-CD1 4.45Å; Q673-I681 HydrophobicContact CB-CG1 3.99Å; Y674-I681 HydrophobicContact CD1-CD1 3.28Å; Y674-I681 HydrophobicContact CD2-CD1 3.6Å; Y674-I681 HydrophobicContact CE1-CD1 3.33Å; Y674-I681 HydrophobicContact CE2-CD1 3.64Å; Y674-I681 HydrophobicContact CG-CD1 3.4Å; Y674-I681 VanDerWaalsContact CG-CD1 3.4Å; P678-I681 WeakPolarHBondContact O-CA 3.49Å; P678-I681 VanDerWaalsContact O-CB 3.27Å; P678-I681 WeakPolarHBondContact O-CB 3.46Å; P678-I681 PolarHBondContact O-N 3.23Å; D679-I681 PolarHBondContact O-N 3.38Å
682	G	57.3	Low	61.1	Low	27 Å²	27	65.2 Å²	65.2	28%	0.278	39%	0.393	S	S	.	.			trans	-56.1	161.4	-178.5	0	0	0	0	0	112.9	L680 I684	L680-G682 PolarHBondContact O-N 3.42Å; G682-I684 PolarHBondContact O-N 3.39Å
683	K	42.7	Very low	59.7	Low	203 Å²	203	68 Å²	68	88%	0.883	41%	0.41	S	S	*	.	S	Bend	trans	-60	69.3	-178.7	-64.9	175.3	179.3	170.6	0	113
684	I	43.3	Very low	58	Low	89 Å²	89	70.9 Å²	70.9	46%	0.456	43%	0.431	S	S	.	.			trans	-119.2	14.6	-176.1	-52.1	166.5	0	0	0	109.9	G682 A686	G682-I684 PolarHBondContact O-N 3.39Å; I684-A686 VanDerWaalsContact C-N 3.31Å; I684-A686 PolarHBondContact O-N 3.24Å
685	A	34.2	Very low	56.2	Low	101 Å²	101	71.3 Å²	71.3	84%	0.835	44%	0.444	S	S	*	.			trans	-82.5	3.2	-172.4	0	0	0	0	0	115.1
686	A	33.5	Very low	54.6	Low	82 Å²	82	74.5 Å²	74.5	68%	0.678	46%	0.459	S	S	*	.	S	Bend	trans	-92.5	-41.2	-175.1	0	0	0	0	0	114.3	I684 L688	I684-A686 VanDerWaalsContact C-N 3.31Å; I684-A686 PolarHBondContact O-N 3.24Å; A686-L688 PolarHBondContact O-N 3.38Å
687	D	33.6	Very low	53	Low	148 Å²	148	78.1 Å²	78.1	79%	0.791	48%	0.478	S	S	*	.	S	Bend	trans	-100.7	23	-161.6	-57.6	-24.7	0	0	0	114.6
688	L	39.2	Very low	51.5	Low	121 Å²	121	84 Å²	84	63%	0.634	50%	0.5	S	S	*	.			trans	-93.5	7.9	-178.8	-94.4	155.5	0	0	0	114.5	A686	A686-L688 PolarHBondContact O-N 3.38Å
689	A	36.7	Very low	50.4	Low	78 Å²	78	89.8 Å²	89.8	65%	0.645	53%	0.526	S	S	*	.	S	Bend	trans	-117.2	118.5	175.1	0	0	0	0	0	111
690	S	41	Very low	49.8	Very low	109 Å²	109	93 Å²	93	76%	0.762	53%	0.534	S	S	*	.			trans	65.1	130.4	-170.9	69.8	0	0	0	0	115.2
691	A	34.6	Very low	49	Very low	58 Å²	58	93 Å²	93	48%	0.479	53%	0.534	S	S	.	.			trans	-146.5	103.2	175.4	0	0	0	0	0	108.5	E696	A691-E696 VanDerWaalsContact CA-OE2 3.25Å; A691-E696 WeakPolarHBondContact CA-OE2 3.38Å; A691-E696 HydrophobicContact CB-CB 4.19Å
692	D	45	Very low	48.5	Very low	154 Å²	154	92.4 Å²	92.4	82%	0.824	53%	0.532	S	S	*	.			trans	-115.2	-6.8	-174.9	-78	-37.7	0	0	0	112.5	E696	D692-E696 PolarHBondContact N-OE2 2.83Å
693	T	57.4	Low	48.6	Very low	59 Å²	59	93.8 Å²	93.8	36%	0.362	53%	0.531	S	S	.	.	S	Bend	trans	-109.1	149.7	-178.2	85.6	0	0	0	0	115.3	A695 E696 L697	T693-A695 PolarHBondContact O-N 3.02Å; T693-A695 VanDerWaalsContact O-N 3.12Å; T693-A695 PolarHBondContact OG1-N 3.38Å; T693-E696 WeakPolarHBondContact CB-OE1 3.44Å; T693-E696 WeakPolarHBondContact CG2-OE1 3.44Å; T693-E696 PolarHBondContact N-OE2 3.4Å; T693-E696 PolarHBondContact O-N 3Å; T693-E696 PolarHBondContact OG1-N 2.86Å; T693-E696 PolarHBondContact OG1-OE1 2.9Å; T693-E696 PolarHBondContact OG1-OE2 3.43Å; T693-L697 PolarHBondContact O-N 2.71Å; T693-L697 VanDerWaalsContact O-N 3.15Å
694	P	50.5	Low	49.4	Very low	86 Å²	86	85.5 Å²	85.5	56%	0.558	50%	0.495	S	S	*	.	H	α-helix	trans	-64.1	-9.4	171.8	-23.7	34.8	0	0	0	115.2	R698	P694-R698 WeakPolarHBondContact O-CG 3.35Å; P694-R698 PolarHBondContact O-N 3.3Å; P694-R698 PolarHBondContact O-NE 3.43Å; P694-R698 PolarHBondContact O-NH2 2.92Å
695	A	50.4	Low	50.2	Low	56 Å²	56	81.3 Å²	81.3	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-82.2	-47.9	173.9	0	0	0	0	0	110.5	T693 L697 R698 Q699	T693-A695 PolarHBondContact O-N 3.02Å; T693-A695 VanDerWaalsContact O-N 3.12Å; T693-A695 PolarHBondContact OG1-N 3.38Å; A695-L697 VanDerWaalsContact C-N 3.33Å; A695-L697 PolarHBondContact O-N 3.34Å; A695-R698 WeakPolarHBondContact O-CB 3.48Å; A695-R698 PolarHBondContact O-N 3.06Å; A695-R698 VanDerWaalsContact O-N 3.09Å; A695-Q699 PolarHBondContact O-N 3.49Å
696	E	58	Low	51.2	Low	69 Å²	69	81.4 Å²	81.4	32%	0.322	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-43.3	172.6	-69.3	130.7	-131.6	0	0	111.5	A691 D692 T693 R698 Q699 R700	A691-E696 VanDerWaalsContact CA-OE2 3.25Å; A691-E696 WeakPolarHBondContact CA-OE2 3.38Å; A691-E696 HydrophobicContact CB-CB 4.19Å; D692-E696 PolarHBondContact N-OE2 2.83Å; T693-E696 WeakPolarHBondContact CB-OE1 3.44Å; T693-E696 WeakPolarHBondContact CG2-OE1 3.44Å; T693-E696 PolarHBondContact N-OE2 3.4Å; T693-E696 PolarHBondContact O-N 3Å; T693-E696 PolarHBondContact OG1-N 2.86Å; T693-E696 PolarHBondContact OG1-OE1 2.9Å; T693-E696 PolarHBondContact OG1-OE2 3.43Å; E696-R698 VanDerWaalsContact C-N 3.27Å; E696-R698 PolarHBondContact O-N 3.2Å; E696-Q699 PolarHBondContact O-N 3.17Å; E696-R700 VanDerWaalsContact O-CB 3.29Å; E696-R700 WeakPolarHBondContact O-CB 3.48Å; E696-R700 PolarHBondContact O-N 3.27Å
697	L	54.8	Low	52.2	Low	77 Å²	77	78.5 Å²	78.5	40%	0.403	43%	0.425	S	S	.	.	H	α-helix	trans	-60.9	-37.5	176.2	-176.6	64.5	0	0	0	111.9	T693 A695 L701	T693-L697 PolarHBondContact O-N 2.71Å; T693-L697 VanDerWaalsContact O-N 3.15Å; A695-L697 VanDerWaalsContact C-N 3.33Å; A695-L697 PolarHBondContact O-N 3.34Å; L697-L701 HydrophobicContact CD1-CD1 4.4Å; L697-L701 HydrophobicContact CG-CD1 4.09Å; L697-L701 WeakPolarHBondContact O-CB 3.43Å; L697-L701 VanDerWaalsContact O-CG 3.23Å; L697-L701 WeakPolarHBondContact O-CG 3.43Å; L697-L701 PolarHBondContact O-N 3.48Å
698	R	58.1	Low	53.1	Low	122 Å²	122	72.1 Å²	72.1	46%	0.46	39%	0.391	S	S	.	.	H	α-helix	trans	-68.6	-46.7	175.9	-84.1	-179.2	-83.9	-143.8	1.7	111.7	P694 A695 E696 R700 L701 V702 V766	P694-R698 WeakPolarHBondContact O-CG 3.35Å; P694-R698 PolarHBondContact O-N 3.3Å; P694-R698 PolarHBondContact O-NE 3.43Å; P694-R698 PolarHBondContact O-NH2 2.92Å; A695-R698 WeakPolarHBondContact O-CB 3.48Å; A695-R698 PolarHBondContact O-N 3.06Å; A695-R698 VanDerWaalsContact O-N 3.09Å; E696-R698 VanDerWaalsContact C-N 3.27Å; E696-R698 PolarHBondContact O-N 3.2Å; R698-R700 VanDerWaalsContact C-N 3.34Å; R698-R700 PolarHBondContact O-N 3.47Å; R698-L701 PolarHBondContact O-N 3.15Å; R698-V702 WeakPolarHBondContact O-CG2 3.28Å; R698-V702 PolarHBondContact O-N 2.85Å; R698-V766 HydrophobicContact CG-CG2 3.87Å
699	Q	60.2	Low	53.8	Low	137 Å²	137	68.1 Å²	68.1	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-58.8	-44	173.5	-77.7	179.5	-27.2	0	0	111.9	A695 E696 L701 V702 E703	A695-Q699 PolarHBondContact O-N 3.49Å; E696-Q699 PolarHBondContact O-N 3.17Å; Q699-L701 VanDerWaalsContact C-N 3.31Å; Q699-L701 PolarHBondContact O-N 2.93Å; Q699-V702 PolarHBondContact O-N 3.44Å; Q699-E703 WeakPolarHBondContact O-CB 3.26Å; Q699-E703 PolarHBondContact O-N 2.81Å
700	R	65.8	Low	54.2	Low	129 Å²	129	66.2 Å²	66.2	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-35.4	175.9	-171.7	177.4	-179.5	-167.9	-0.2	112.7	E696 R698 K704	E696-R700 VanDerWaalsContact O-CB 3.29Å; E696-R700 WeakPolarHBondContact O-CB 3.48Å; E696-R700 PolarHBondContact O-N 3.27Å; R698-R700 VanDerWaalsContact C-N 3.34Å; R698-R700 PolarHBondContact O-N 3.47Å; R700-K704 WeakPolarHBondContact O-CB 3.44Å; R700-K704 VanDerWaalsContact O-CG 3.32Å; R700-K704 WeakPolarHBondContact O-CG 3.36Å; R700-K704 PolarHBondContact O-N 3.38Å
701	L	61.1	Low	54.3	Low	7 Å²	7	61.1 Å²	61.1	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-74	-41	175	-75	168.2	0	0	0	112.3	L697 R698 Q699 E703 K704 M705 I729 H731 A733 V766	L697-L701 HydrophobicContact CD1-CD1 4.4Å; L697-L701 HydrophobicContact CG-CD1 4.09Å; L697-L701 WeakPolarHBondContact O-CB 3.43Å; L697-L701 VanDerWaalsContact O-CG 3.23Å; L697-L701 WeakPolarHBondContact O-CG 3.43Å; L697-L701 PolarHBondContact O-N 3.48Å; R698-L701 PolarHBondContact O-N 3.15Å; Q699-L701 VanDerWaalsContact C-N 3.31Å; Q699-L701 PolarHBondContact O-N 2.93Å; L701-E703 VanDerWaalsContact C-N 3.31Å; L701-E703 PolarHBondContact O-N 2.84Å; L701-K704 PolarHBondContact O-N 3.29Å; L701-M705 WeakPolarHBondContact O-CB 3.16Å; L701-M705 PolarHBondContact O-N 3.18Å; L701-I729 HydrophobicContact CB-CG2 3.98Å; L701-I729 HydrophobicContact CD2-CD1 3.97Å; L701-I729 HydrophobicContact CD2-CG1 4.31Å; L701-H731 VanDerWaalsContact CD1-ND1 3.35Å; L701-H731 WeakPolarHBondContact CD1-ND1 3.35Å; L701-A733 HydrophobicContact CD2-CB 4.03Å; L701-V766 HydrophobicContact CB-CG2 4.44Å; L701-V766 HydrophobicContact CD1-CG2 4.33Å
702	V	60.4	Low	54.7	Low	29 Å²	29	59.5 Å²	59.5	18%	0.176	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-48	170.1	171.9	0	0	0	0	109.9	R698 Q699 M705 R706 V766 P769	R698-V702 WeakPolarHBondContact O-CG2 3.28Å; R698-V702 PolarHBondContact O-N 2.85Å; Q699-V702 PolarHBondContact O-N 3.44Å; V702-M705 CarbonylContact O-C 3.56Å; V702-M705 PolarHBondContact O-N 2.84Å; V702-R706 WeakPolarHBondContact O-CB 3.26Å; V702-R706 PolarHBondContact O-N 3.13Å; V702-V766 HydrophobicContact CB-CG1 4.5Å; V702-V766 HydrophobicContact CG2-CG1 3.35Å; V702-P769 HydrophobicContact CG1-CG 3.93Å
703	E	61.1	Low	54.4	Low	55 Å²	55	53.5 Å²	53.5	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-68	-43.7	-178.1	-171	56.4	-157.3	0	0	111.5	Q699 L701 M705 R706 L707	Q699-E703 WeakPolarHBondContact O-CB 3.26Å; Q699-E703 PolarHBondContact O-N 2.81Å; L701-E703 VanDerWaalsContact C-N 3.31Å; L701-E703 PolarHBondContact O-N 2.84Å; E703-M705 PolarHBondContact O-N 3.43Å; E703-R706 WeakPolarHBondContact O-CB 3.35Å; E703-R706 PolarHBondContact O-N 2.82Å; E703-R706 VanDerWaalsContact O-N 3.11Å; E703-R706 WeakPolarHBondContact OE2-CD 3.4Å; E703-L707 HydrophobicContact CG-CD1 4.15Å; E703-L707 HydrophobicContact CG-CG 4.5Å; E703-L707 WeakPolarHBondContact O-CB 3.36Å; E703-L707 WeakPolarHBondContact O-CD1 3.11Å; E703-L707 WeakPolarHBondContact O-CG 3.39Å; E703-L707 PolarHBondContact O-N 3.32Å
704	K	58.8	Low	53.8	Low	30 Å²	30	56 Å²	56	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-54.2	-41.3	169.5	-80.9	-172.8	177.8	-154.6	0	112.1	D663 R700 L701 V708 I729	D663-K704 WeakPolarHBondContact OD1-CE 3.41Å; D663-K704 IonicContact OD1-NZ 3.47Å; D663-K704 PolarHBondContact OD1-NZ 2.87Å; D663-K704 IonicContact OD2-NZ 3.16Å; D663-K704 PolarHBondContact OD2-NZ 3.3Å; R700-K704 WeakPolarHBondContact O-CB 3.44Å; R700-K704 VanDerWaalsContact O-CG 3.32Å; R700-K704 WeakPolarHBondContact O-CG 3.36Å; R700-K704 PolarHBondContact O-N 3.38Å; L701-K704 PolarHBondContact O-N 3.29Å; K704-V708 VanDerWaalsContact O-CG2 3.31Å; K704-V708 WeakPolarHBondContact O-CG2 3.33Å; K704-V708 PolarHBondContact O-N 3.49Å; K704-I729 HydrophobicContact CB-CD1 4.45Å
705	M	60.3	Low	54	Low	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.2	-39	177.4	-172.5	164.4	54.8	0	0	112.2	L701 V702 E703 L707 V708 L709 P727 V728 I729 V735 F768	L701-M705 WeakPolarHBondContact O-CB 3.16Å; L701-M705 PolarHBondContact O-N 3.18Å; V702-M705 CarbonylContact O-C 3.56Å; V702-M705 PolarHBondContact O-N 2.84Å; E703-M705 PolarHBondContact O-N 3.43Å; M705-L707 VanDerWaalsContact C-N 3.35Å; M705-L707 PolarHBondContact O-N 3.41Å; M705-V708 PolarHBondContact O-N 2.78Å; M705-L709 HydrophobicContact CG-CD1 3.68Å; M705-L709 HydrophobicContact CG-CG 4.27Å; M705-L709 WeakPolarHBondContact O-CB 3.34Å; M705-L709 WeakPolarHBondContact O-CD1 3.33Å; M705-L709 WeakPolarHBondContact O-CG 3.39Å; M705-L709 PolarHBondContact O-N 3.12Å; M705-P727 HydrophobicContact CG-CB 4.44Å; M705-P727 HydrophobicContact SD-CB 3.84Å; M705-V728 VanDerWaalsContact SD-C 3.55Å; M705-I729 HydrophobicContact CB-CB 4.22Å; M705-I729 HydrophobicContact CB-CD1 4.16Å; M705-I729 HydrophobicContact CB-CG2 4.14Å; M705-I729 HydrophobicContact CE-CB 4.22Å; M705-I729 HydrophobicContact CE-CG2 3.8Å; M705-I729 HydrophobicContact CG-CB 4.4Å; M705-I729 HydrophobicContact SD-CB 3.66Å; M705-I729 HydrophobicContact SD-CG2 3.93Å; M705-I729 PolarHBondContact SD-N 3.37Å; M705-V735 HydrophobicContact CG-CG1 4.17Å; M705-V735 HydrophobicContact CG-CG2 4.37Å; M705-V735 HydrophobicContact SD-CG1 3.85Å; M705-F768 HydrophobicContact CE-CB 3.72Å; M705-F768 HydrophobicContact CE-CD2 4.23Å; M705-F768 HydrophobicContact CE-CG 4.5Å; M705-F768 VanDerWaalsContact CE-N 3.32Å; M705-F768 HydrophobicContact CG-CD2 4.5Å
706	R	55.4	Low	54.2	Low	104 Å²	104	57 Å²	57	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-59.2	-45.5	173.4	-161.6	177.6	-146.6	157.3	7	111.2	V702 E703 L709 A710 F768	V702-R706 WeakPolarHBondContact O-CB 3.26Å; V702-R706 PolarHBondContact O-N 3.13Å; E703-R706 WeakPolarHBondContact O-CB 3.35Å; E703-R706 PolarHBondContact O-N 2.82Å; E703-R706 VanDerWaalsContact O-N 3.11Å; E703-R706 WeakPolarHBondContact OE2-CD 3.4Å; R706-L709 PolarHBondContact O-N 3.37Å; R706-A710 WeakPolarHBondContact O-CB 3.47Å; R706-A710 PolarHBondContact O-N 3.15Å; R706-F768 HydrophobicContact CB-CE2 4.06Å; R706-F768 HydrophobicContact CG-CE2 4.04Å; R706-F768 HydrophobicContact CG-CZ 4.44Å
707	L	54.4	Low	54.7	Low	21 Å²	21	53.7 Å²	53.7	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-48.1	175.7	-65.4	164.1	0	0	0	111.5	A666 M669 E703 M705 L709 A710 S711	A666-L707 HydrophobicContact CB-CB 4.47Å; A666-L707 HydrophobicContact CB-CD1 3.75Å; M669-L707 HydrophobicContact CE-CD2 3.45Å; M669-L707 VanDerWaalsContact CE-CD2 3.45Å; M669-L707 HydrophobicContact SD-CB 4.28Å; M669-L707 HydrophobicContact SD-CD2 4.01Å; E703-L707 HydrophobicContact CG-CD1 4.15Å; E703-L707 HydrophobicContact CG-CG 4.5Å; E703-L707 WeakPolarHBondContact O-CB 3.36Å; E703-L707 WeakPolarHBondContact O-CD1 3.11Å; E703-L707 WeakPolarHBondContact O-CG 3.39Å; E703-L707 PolarHBondContact O-N 3.32Å; M705-L707 VanDerWaalsContact C-N 3.35Å; M705-L707 PolarHBondContact O-N 3.41Å; L707-L709 PolarHBondContact O-N 3.41Å; L707-A710 PolarHBondContact O-N 3.46Å; L707-S711 WeakPolarHBondContact O-CB 3.37Å; L707-S711 PolarHBondContact O-N 2.9Å
708	V	52.3	Low	55.3	Low	13 Å²	13	51.9 Å²	51.9	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-46.5	177.3	169.3	0	0	0	0	111.5	L665 K704 M705 S711 E715 V735	L665-V708 HydrophobicContact CD1-CG2 4.46Å; K704-V708 VanDerWaalsContact O-CG2 3.31Å; K704-V708 WeakPolarHBondContact O-CG2 3.33Å; K704-V708 PolarHBondContact O-N 3.49Å; M705-V708 PolarHBondContact O-N 2.78Å; V708-S711 PolarHBondContact O-N 3.44Å; V708-S711 PolarHBondContact O-OG 2.95Å; V708-E715 HydrophobicContact CG1-CG 3.85Å; V708-V735 HydrophobicContact CG1-CG2 4.49Å
709	L	52.6	Low	55.7	Low	38 Å²	38	48.6 Å²	48.6	20%	0.199	25%	0.249	C	C	.	.	H	α-helix	trans	-71.3	-32.4	-177.4	-65.9	164.6	0	0	0	114.2	M705 R706 L707 P727 F768 K868	M705-L709 HydrophobicContact CG-CD1 3.68Å; M705-L709 HydrophobicContact CG-CG 4.27Å; M705-L709 WeakPolarHBondContact O-CB 3.34Å; M705-L709 WeakPolarHBondContact O-CD1 3.33Å; M705-L709 WeakPolarHBondContact O-CG 3.39Å; M705-L709 PolarHBondContact O-N 3.12Å; R706-L709 PolarHBondContact O-N 3.37Å; L707-L709 PolarHBondContact O-N 3.41Å; L709-P727 HydrophobicContact CD1-CB 3.74Å; L709-P727 HydrophobicContact CD1-CG 3.35Å; L709-P727 HydrophobicContact CD2-CB 3.87Å; L709-P727 HydrophobicContact CD2-CG 3.85Å; L709-P727 HydrophobicContact CG-CB 4.35Å; L709-P727 HydrophobicContact CG-CG 4.24Å; L709-F768 HydrophobicContact CD1-CD2 3.7Å; L709-F768 HydrophobicContact CD1-CE2 3.88Å; L709-F768 HydrophobicContact CD1-CG 4.13Å; L709-F768 HydrophobicContact CD1-CZ 4.45Å; L709-K868 PolarHBondContact O-NZ 3.39Å
710	A	46.7	Very low	55.9	Low	37 Å²	37	43.9 Å²	43.9	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-80.9	-21.1	176.5	0	0	0	0	0	112.9	M669 R706 L707 G712 F815	M669-A710 HydrophobicContact CE-CB 4.27Å; M669-A710 HydrophobicContact SD-CB 3.66Å; R706-A710 WeakPolarHBondContact O-CB 3.47Å; R706-A710 PolarHBondContact O-N 3.15Å; L707-A710 PolarHBondContact O-N 3.46Å; A710-G712 PolarHBondContact O-N 3.42Å; A710-G712 VanDerWaalsContact O-N 3.09Å; A710-F815 WeakPolarHBondContact O-CE1 3.24Å
711	S	42.8	Very low	55.5	Low	2 Å²	2	41.8 Å²	41.8	1%	0.014	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.2	176.9	80	0	0	0	0	114.6	R672 L707 V708 S713 Q814 W889	R672-S711 PolarHBondContact NH1-O 2.81Å; L707-S711 WeakPolarHBondContact O-CB 3.37Å; L707-S711 PolarHBondContact O-N 2.9Å; V708-S711 PolarHBondContact O-N 3.44Å; V708-S711 PolarHBondContact O-OG 2.95Å; S711-S713 PolarHBondContact O-N 2.99Å; S711-S713 PolarHBondContact OG-N 3.26Å; S711-S713 PolarHBondContact OG-OG 3.08Å; S711-Q814 PolarHBondContact O-OE1 3.12Å; S711-W889 PolarHBondContact O-NE1 3.14Å
712	G	41.7	Very low	55.1	Low	25 Å²	25	43.4 Å²	43.4	26%	0.258	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	11.9	179.2	0	0	0	0	0	114.1	A710	A710-G712 PolarHBondContact O-N 3.42Å; A710-G712 VanDerWaalsContact O-N 3.09Å
713	S	39.8	Very low	54.8	Low	27 Å²	27	44.1 Å²	44.1	19%	0.189	24%	0.244	C	C	.	.			trans	-67	137.2	163.8	57.7	0	0	0	0	109.9	S711 E715	S711-S713 PolarHBondContact O-N 2.99Å; S711-S713 PolarHBondContact OG-N 3.26Å; S711-S713 PolarHBondContact OG-OG 3.08Å; S713-E715 VanDerWaalsContact CB-OE1 3.23Å; S713-E715 WeakPolarHBondContact CB-OE1 3.44Å; S713-E715 PolarHBondContact O-N 3.25Å; S713-E715 WeakPolarHBondContact OG-CG 3.47Å; S713-E715 PolarHBondContact OG-OE1 3.42Å
714	D	45.4	Very low	54.9	Low	112 Å²	112	43 Å²	43	60%	0.599	24%	0.239	S	C	*	.			trans	-82.5	67	175.3	-162.9	13.1	0	0	0	108.2	E716 S723	D714-E716 PolarHBondContact O-N 3.23Å; D714-E716 VanDerWaalsContact O-N 3.14Å; D714-S723 WeakPolarHBondContact OD1-CB 3.4Å; D714-S723 PolarHBondContact OD1-OG 3.43Å
715	E	54.9	Low	54.8	Low	66 Å²	66	46.8 Å²	46.8	31%	0.308	25%	0.252	S	S	.	.			trans	-63.8	113.9	179.5	-64.4	-57.5	146.6	0	0	109.5	V708 S713 I724	V708-E715 HydrophobicContact CG1-CG 3.85Å; S713-E715 VanDerWaalsContact CB-OE1 3.23Å; S713-E715 WeakPolarHBondContact CB-OE1 3.44Å; S713-E715 PolarHBondContact O-N 3.25Å; S713-E715 WeakPolarHBondContact OG-CG 3.47Å; S713-E715 PolarHBondContact OG-OE1 3.42Å; E715-I724 HydrophobicContact CB-CD1 3.59Å; E715-I724 WeakPolarHBondContact O-CG1 3.48Å; E715-I724 PolarHBondContact O-N 2.93Å
716	E	54.5	Low	54.8	Low	97 Å²	97	52.9 Å²	52.9	45%	0.453	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-77.9	124.2	173.6	-64.3	-179	159.8	0	0	109.2	R522 D714 S718	R522-E716 IonicContact NH2-OE1 3.8Å; R522-E716 PolarHBondContact NH2-OE1 3.18Å; D714-E716 PolarHBondContact O-N 3.23Å; D714-E716 VanDerWaalsContact O-N 3.14Å; E716-S718 PolarHBondContact O-N 3.1Å
717	C	66.6	Low	55.4	Low	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.			trans	-63.6	120.1	172.1	174.2	0	0	0	0	109.3	V719 C720 L721 D722 I724 C737	C717-V719 PolarHBondContact O-N 3.26Å; C717-C720 PolarHBondContact O-N 2.93Å; C717-L721 WeakPolarHBondContact O-CA 3.5Å; C717-L721 PolarHBondContact O-N 2.93Å; C717-D722 PolarHBondContact N-O 3.25Å; C717-I724 HydrophobicContact CB-CG1 3.8Å; C717-C737 VanDerWaalsContact CB-SG 3.57Å; C717-C737 PolarHBondContact SG-N 3.05Å
718	S	68.4	Low	56.4	Low	39 Å²	39	47.9 Å²	47.9	27%	0.273	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-1.6	-173.3	70.6	0	0	0	0	115.8	E716 Y736 L755	E716-S718 PolarHBondContact O-N 3.1Å; S718-Y736 VanDerWaalsContact OG-CE1 3.29Å; S718-Y736 WeakPolarHBondContact OG-CE1 3.39Å; S718-L755 WeakPolarHBondContact OG-CG 3.4Å
719	V	67.4	Low	57.6	Low	53 Å²	53	47.4 Å²	47.4	32%	0.321	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-45.5	173.7	179.2	0	0	0	0	112	C717 Y736 C740 V744 P754	C717-V719 PolarHBondContact O-N 3.26Å; V719-Y736 HydrophobicContact CG2-CD1 3.83Å; V719-Y736 HydrophobicContact CG2-CE1 4.03Å; V719-C740 HydrophobicContact CB-CB 3.81Å; V719-C740 HydrophobicContact CG1-CB 3.7Å; V719-V744 HydrophobicContact CG1-CG2 4.2Å; V719-V744 HydrophobicContact CG2-CG2 4Å; V719-P754 HydrophobicContact CG2-CB 4.38Å; V719-P754 HydrophobicContact CG2-CG 3.78Å
720	C	64.2	Low	58.9	Low	38 Å²	38	45.7 Å²	45.7	26%	0.257	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-11.7	179	63.7	0	0	0	0	114.7	C717 D722 C737	C717-C720 PolarHBondContact O-N 2.93Å; C720-D722 VanDerWaalsContact C-N 3.29Å; C720-D722 PolarHBondContact O-N 3.19Å; C720-C737 VanDerWaalsContact SG-SG 3.67Å
721	L	55.9	Low	60	Low	84 Å²	84	47.4 Å²	47.4	44%	0.44	26%	0.255	S	S	.	.	S	Bend	trans	54.6	44.8	179.9	-53.4	172.7	0	0	0	112.2	N523 C717	N523-L721 WeakPolarHBondContact ND2-CD1 3.35Å; C717-L721 WeakPolarHBondContact O-CA 3.5Å; C717-L721 PolarHBondContact O-N 2.93Å
722	D	53.1	Low	61.3	Low	41 Å²	41	49 Å²	49	22%	0.219	27%	0.265	C	S	.	.	S	Bend	trans	-145.8	159	-176.7	-175.1	19.6	0	0	0	108.3	M528 C717 C720 I724 R725	M528-D722 HydrophobicContact CE-CB 4.37Å; C717-D722 PolarHBondContact N-O 3.25Å; C720-D722 VanDerWaalsContact C-N 3.29Å; C720-D722 PolarHBondContact O-N 3.19Å; D722-I724 PolarHBondContact O-N 2.67Å; D722-R725 IonicContact OD2-CZ 3.01Å; D722-R725 IonicContact OD2-NE 3.02Å; D722-R725 IonicContact OD2-NH2 2.69Å; D722-R725 PolarHBondContact OD2-NH2 3.29Å
723	S	54.2	Low	62.6	Low	45 Å²	45	49.4 Å²	49.4	32%	0.315	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-55.8	133.9	-177.4	-48	0	0	0	0	111	D714 R725	D714-S723 WeakPolarHBondContact OD1-CB 3.4Å; D714-S723 PolarHBondContact OD1-OG 3.43Å; S723-R725 WeakPolarHBondContact O-CG 3.45Å; S723-R725 PolarHBondContact O-N 3.38Å
724	I	63.5	Low	64	Low	30 Å²	30	50.8 Å²	50.8	15%	0.154	27%	0.269	C	S	.	.			trans	-61.2	130.9	-170.1	-63.5	155.8	0	0	0	112.6	E715 C717 D722 P727 V735	E715-I724 HydrophobicContact CB-CD1 3.59Å; E715-I724 WeakPolarHBondContact O-CG1 3.48Å; E715-I724 PolarHBondContact O-N 2.93Å; C717-I724 HydrophobicContact CB-CG1 3.8Å; D722-I724 PolarHBondContact O-N 2.67Å; I724-P727 HydrophobicContact CG2-CB 3.61Å; I724-V735 HydrophobicContact CD1-CB 4Å; I724-V735 HydrophobicContact CD1-CG1 3.84Å; I724-V735 HydrophobicContact CG2-CG1 4.27Å
725	R	55.8	Low	65.5	Low	110 Å²	110	46.4 Å²	46.4	42%	0.415	25%	0.247	S	C	.	.	S	Bend	trans	-125.2	133.7	177.9	-48.5	-173.7	-161.7	154.3	-2.7	111.3	N493 D722 S723 C737	N493-R725 PolarHBondContact ND2-NH1 3.32Å; N493-R725 VanDerWaalsContact ND2-NH1 3.14Å; N493-R725 VanDerWaalsContact OD1-CZ 3.3Å; N493-R725 PolarHBondContact OD1-NH1 3.16Å; N493-R725 PolarHBondContact OD1-NH2 3.03Å; D722-R725 IonicContact OD2-CZ 3.01Å; D722-R725 IonicContact OD2-NE 3.02Å; D722-R725 IonicContact OD2-NH2 2.69Å; D722-R725 PolarHBondContact OD2-NH2 3.29Å; S723-R725 WeakPolarHBondContact O-CG 3.45Å; S723-R725 PolarHBondContact O-N 3.38Å; R725-C737 PolarHBondContact N-SG 3.46Å; R725-C737 VanDerWaalsContact O-CA 3.26Å; R725-C737 WeakPolarHBondContact O-CA 3.43Å; R725-C737 VanDerWaalsContact O-CB 3.28Å; R725-C737 WeakPolarHBondContact O-CB 3.46Å
726	M	61.4	Low	66.7	Low	128 Å²	128	43.3 Å²	43.3	63%	0.631	23%	0.232	S	C	*	.	S	Bend	trans	47.2	67.7	-164.2	-59.7	-160.1	-55.8	0	0	110.3	V728 R738	M726-V728 PolarHBondContact O-N 2.97Å; M726-R738 HydrophobicContact CB-CB 3.97Å; M726-R738 HydrophobicContact CE-CB 4.32Å; M726-R738 WeakPolarHBondContact O-CB 3.31Å; M726-R738 PolarHBondContact O-N 2.85Å
727	P	68.5	Low	67.7	Low	19 Å²	19	38.9 Å²	38.9	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	133.1	-175.5	21.6	-30.3	0	0	0	111.5	M705 L709 I724 V735 Y736 F768	M705-P727 HydrophobicContact CG-CB 4.44Å; M705-P727 HydrophobicContact SD-CB 3.84Å; L709-P727 HydrophobicContact CD1-CB 3.74Å; L709-P727 HydrophobicContact CD1-CG 3.35Å; L709-P727 HydrophobicContact CD2-CB 3.87Å; L709-P727 HydrophobicContact CD2-CG 3.85Å; L709-P727 HydrophobicContact CG-CB 4.35Å; L709-P727 HydrophobicContact CG-CG 4.24Å; I724-P727 HydrophobicContact CG2-CB 3.61Å; P727-V735 HydrophobicContact CB-CG1 3.94Å; P727-Y736 WeakPolarHBondContact CA-O 3.28Å; P727-F768 HydrophobicContact CG-CB 3.94Å; P727-F768 HydrophobicContact CG-CG 4.24Å; P727-F768 WeakPolarHBondContact O-CB 3.36Å; P727-F768 PolarHBondContact O-N 3.17Å
728	V	74.4	Confident	68.4	Low	2 Å²	2	43 Å²	43	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.3	169.9	-63.4	0	0	0	0	108.7	M705 M726 V735 Y736 R738 I741 V766 E767	M705-V728 VanDerWaalsContact SD-C 3.55Å; M726-V728 PolarHBondContact O-N 2.97Å; V728-V735 WeakPolarHBondContact O-CA 3.22Å; V728-Y736 PolarHBondContact N-O 2.96Å; V728-Y736 PolarHBondContact O-N 2.86Å; V728-R738 HydrophobicContact CG1-CB 3.71Å; V728-R738 HydrophobicContact CG1-CG 4.03Å; V728-R738 HydrophobicContact CG2-CB 4.39Å; V728-I741 HydrophobicContact CG2-CG2 3.41Å; V728-I741 VanDerWaalsContact CG2-CG2 3.41Å; V728-V766 WeakPolarHBondContact CA-O 3.31Å; V728-E767 HydrophobicContact CG1-CG 4.12Å
729	I	78	Confident	68.8	Low	3 Å²	3	44.7 Å²	44.7	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.2	178.7	-168.4	168.9	0	0	0	109.4	L701 K704 M705 A733 H734 V735 V766	L701-I729 HydrophobicContact CB-CG2 3.98Å; L701-I729 HydrophobicContact CD2-CD1 3.97Å; L701-I729 HydrophobicContact CD2-CG1 4.31Å; K704-I729 HydrophobicContact CB-CD1 4.45Å; M705-I729 HydrophobicContact CB-CB 4.22Å; M705-I729 HydrophobicContact CB-CD1 4.16Å; M705-I729 HydrophobicContact CB-CG2 4.14Å; M705-I729 HydrophobicContact CE-CB 4.22Å; M705-I729 HydrophobicContact CE-CG2 3.8Å; M705-I729 HydrophobicContact CG-CB 4.4Å; M705-I729 HydrophobicContact SD-CB 3.66Å; M705-I729 HydrophobicContact SD-CG2 3.93Å; M705-I729 PolarHBondContact SD-N 3.37Å; I729-A733 HydrophobicContact CD1-CB 4.35Å; I729-H734 WeakPolarHBondContact CA-O 3.36Å; I729-V735 HydrophobicContact CB-CG2 4.45Å; I729-V735 HydrophobicContact CD1-CG2 4.21Å; I729-V735 HydrophobicContact CG1-CG2 4.23Å; I729-V766 HydrophobicContact CG2-CB 3.72Å; I729-V766 HydrophobicContact CG2-CG1 4.16Å; I729-V766 PolarHBondContact N-O 3.14Å; I729-V766 PolarHBondContact O-N 3.23Å
730	T	79.4	Confident	69.4	Low	1 Å²	1	43 Å²	43	1%	0.006	23%	0.228	C	C	.	.			trans	-77.3	161.1	173.2	58.2	0	0	0	0	110.5	C732 A733 H734 Y736 I741 I760 L765	T730-C732 PolarHBondContact O-N 3.32Å; T730-C732 VanDerWaalsContact O-N 3.11Å; T730-C732 PolarHBondContact OG1-SG 3.13Å; T730-A733 WeakPolarHBondContact O-CA 3.32Å; T730-A733 PolarHBondContact O-N 3.29Å; T730-H734 PolarHBondContact N-O 3.24Å; T730-H734 PolarHBondContact OG1-N 2.92Å; T730-H734 PolarHBondContact OG1-O 2.94Å; T730-Y736 HydrophobicContact CG2-CD2 3.97Å; T730-Y736 HydrophobicContact CG2-CE2 3.82Å; T730-I741 HydrophobicContact CG2-CG1 4.42Å; T730-I760 HydrophobicContact CG2-CG2 3.96Å; T730-L765 HydrophobicContact CG2-CD2 3.93Å
731	H	70.9	Confident	70.3	Confident	74 Å²	74	41.2 Å²	41.2	34%	0.343	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	171.6	-86.1	-34.9	0	0	0	114.2	L701 A733	L701-H731 VanDerWaalsContact CD1-ND1 3.35Å; L701-H731 WeakPolarHBondContact CD1-ND1 3.35Å; H731-A733 PolarHBondContact O-N 3.39Å
732	C	69.3	Low	71.6	Confident	34 Å²	34	39.1 Å²	39.1	23%	0.23	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	21.7	169.7	54.5	0	0	0	0	113.9	T730 H734 C753 C756	T730-C732 PolarHBondContact O-N 3.32Å; T730-C732 VanDerWaalsContact O-N 3.11Å; T730-C732 PolarHBondContact OG1-SG 3.13Å; C732-H734 VanDerWaalsContact C-N 3.28Å; C732-H734 PolarHBondContact O-CE1 3.11Å; C732-H734 PolarHBondContact O-N 3.43Å; C732-H734 PolarHBondContact O-ND1 3.48Å; C732-C753 PolarHBondContact SG-SG 2.71Å; C732-C756 PolarHBondContact SG-SG 3.22Å
733	A	68	Low	73	Confident	35 Å²	35	43 Å²	43	29%	0.289	23%	0.228	S	C	.	.	S	Bend	trans	57.8	26.2	173.7	0	0	0	0	0	116.4	L701 I729 T730 H731	L701-A733 HydrophobicContact CD2-CB 4.03Å; I729-A733 HydrophobicContact CD1-CB 4.35Å; T730-A733 WeakPolarHBondContact O-CA 3.32Å; T730-A733 PolarHBondContact O-N 3.29Å; H731-A733 PolarHBondContact O-N 3.39Å
734	H	71.1	Confident	74.3	Confident	55 Å²	55	42 Å²	42	26%	0.255	22%	0.219	S	C	.	.			trans	-101.6	133.8	176	-68.9	94.6	0	0	0	110.8	I729 T730 C732 Y736 L755 C756	I729-H734 WeakPolarHBondContact CA-O 3.36Å; T730-H734 PolarHBondContact N-O 3.24Å; T730-H734 PolarHBondContact OG1-N 2.92Å; T730-H734 PolarHBondContact OG1-O 2.94Å; C732-H734 VanDerWaalsContact C-N 3.28Å; C732-H734 PolarHBondContact O-CE1 3.11Å; C732-H734 PolarHBondContact O-N 3.43Å; C732-H734 PolarHBondContact O-ND1 3.48Å; H734-Y736 HydrophobicContact CB-CD2 4.45Å; H734-Y736 HydrophobicContact CB-CE2 3.52Å; H734-Y736 WeakPolarHBondContact O-CD2 3.36Å; H734-L755 HydrophobicContact CB-CD1 4.2Å; H734-L755 WeakPolarHBondContact CD2-CD1 3.49Å; H734-C756 VanDerWaalsContact CE1-SG 3.53Å
735	V	76	Confident	75.3	Confident	21 Å²	21	41.7 Å²	41.7	13%	0.127	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.8	-175.1	-164.8	0	0	0	0	111	M705 V708 I724 P727 V728 I729	M705-V735 HydrophobicContact CG-CG1 4.17Å; M705-V735 HydrophobicContact CG-CG2 4.37Å; M705-V735 HydrophobicContact SD-CG1 3.85Å; V708-V735 HydrophobicContact CG1-CG2 4.49Å; I724-V735 HydrophobicContact CD1-CB 4Å; I724-V735 HydrophobicContact CD1-CG1 3.84Å; I724-V735 HydrophobicContact CG2-CG1 4.27Å; P727-V735 HydrophobicContact CB-CG1 3.94Å; V728-V735 WeakPolarHBondContact O-CA 3.22Å; I729-V735 HydrophobicContact CB-CG2 4.45Å; I729-V735 HydrophobicContact CD1-CG2 4.21Å; I729-V735 HydrophobicContact CG1-CG2 4.23Å
736	Y	79.3	Confident	76.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.4	179.8	-60.5	-90.1	0	0	0	111	S718 V719 P727 V728 T730 H734 I741 C753 P754 L755	S718-Y736 VanDerWaalsContact OG-CE1 3.29Å; S718-Y736 WeakPolarHBondContact OG-CE1 3.39Å; V719-Y736 HydrophobicContact CG2-CD1 3.83Å; V719-Y736 HydrophobicContact CG2-CE1 4.03Å; P727-Y736 WeakPolarHBondContact CA-O 3.28Å; V728-Y736 PolarHBondContact N-O 2.96Å; V728-Y736 PolarHBondContact O-N 2.86Å; T730-Y736 HydrophobicContact CG2-CD2 3.97Å; T730-Y736 HydrophobicContact CG2-CE2 3.82Å; H734-Y736 HydrophobicContact CB-CD2 4.45Å; H734-Y736 HydrophobicContact CB-CE2 3.52Å; H734-Y736 WeakPolarHBondContact O-CD2 3.36Å; Y736-I741 HydrophobicContact CD1-CD1 4.14Å; Y736-I741 HydrophobicContact CD2-CB 4.46Å; Y736-I741 HydrophobicContact CD2-CD1 3.89Å; Y736-I741 HydrophobicContact CD2-CG1 4.17Å; Y736-I741 HydrophobicContact CE1-CD1 4.29Å; Y736-I741 HydrophobicContact CE2-CD1 4.06Å; Y736-I741 HydrophobicContact CG-CB 4.14Å; Y736-I741 HydrophobicContact CG-CD1 3.95Å; Y736-I741 HydrophobicContact CG-CG1 4.27Å; Y736-C753 PolarHBondContact OH-SG 2.68Å; Y736-P754 HydrophobicContact CE1-CB 4.08Å; Y736-P754 HydrophobicContact CE1-CG 3.86Å; Y736-P754 WeakPolarHBondContact OH-CD 3.4Å; Y736-L755 WeakPolarHBondContact OH-CG 3.45Å; Y736-L755 PolarHBondContact OH-N 3Å
737	C	77.1	Confident	77.4	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.9	161.6	-54.9	0	0	0	0	109.3	C717 C720 R725 P739 C740 I741	C717-C737 VanDerWaalsContact CB-SG 3.57Å; C717-C737 PolarHBondContact SG-N 3.05Å; C720-C737 VanDerWaalsContact SG-SG 3.67Å; R725-C737 PolarHBondContact N-SG 3.46Å; R725-C737 VanDerWaalsContact O-CA 3.26Å; R725-C737 WeakPolarHBondContact O-CA 3.43Å; R725-C737 VanDerWaalsContact O-CB 3.28Å; R725-C737 WeakPolarHBondContact O-CB 3.46Å; C737-P739 HydrophobicContact CB-CG 4.25Å; C737-C740 HydrophobicContact CB-CB 3.96Å; C737-C740 WeakPolarHBondContact O-CB 3.18Å; C737-C740 PolarHBondContact O-N 3.08Å; C737-I741 PolarHBondContact O-N 3.35Å; C737-I741 VanDerWaalsContact O-N 3.07Å
738	R	79.6	Confident	77.7	Confident	87 Å²	87	42.8 Å²	42.8	33%	0.328	25%	0.245	S	C	.	.	H	α-helix	trans	-43.4	-53.7	173.1	-175.4	171.2	177.1	81.2	-21.4	114	M726 V728 C740 A742 E767	M726-R738 HydrophobicContact CB-CB 3.97Å; M726-R738 HydrophobicContact CE-CB 4.32Å; M726-R738 WeakPolarHBondContact O-CB 3.31Å; M726-R738 PolarHBondContact O-N 2.85Å; V728-R738 HydrophobicContact CG1-CB 3.71Å; V728-R738 HydrophobicContact CG1-CG 4.03Å; V728-R738 HydrophobicContact CG2-CB 4.39Å; R738-C740 VanDerWaalsContact C-N 3.27Å; R738-C740 PolarHBondContact O-N 3.49Å; R738-A742 WeakPolarHBondContact O-CB 3.49Å; R738-A742 PolarHBondContact O-N 2.89Å; R738-E767 IonicContact CZ-OE1 3.49Å; R738-E767 IonicContact CZ-OE2 3.77Å; R738-E767 IonicContact NE-OE2 2.74Å; R738-E767 PolarHBondContact NE-OE2 3.43Å; R738-E767 IonicContact NH1-OE1 2.7Å; R738-E767 PolarHBondContact NH1-OE1 2.87Å; R738-E767 IonicContact NH1-OE2 3.41Å; R738-E767 PolarHBondContact NH1-OE2 3.09Å; R738-E767 VanDerWaalsContact NH2-CD 3.25Å; R738-E767 IonicContact NH2-OE1 3.08Å; R738-E767 PolarHBondContact NH2-OE1 2.99Å; R738-E767 IonicContact NH2-OE2 2.73Å; R738-E767 PolarHBondContact NH2-OE2 3.29Å; R738-E767 VanDerWaalsContact NH2-OE2 3.13Å
739	P	77.8	Confident	77.4	Confident	73 Å²	73	53 Å²	53	47%	0.474	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-33.3	179.7	24.6	-35.6	0	0	0	113	C737 Q743	C737-P739 HydrophobicContact CB-CG 4.25Å; P739-Q743 WeakPolarHBondContact O-CB 3.44Å; P739-Q743 PolarHBondContact O-N 3.01Å
740	C	79.9	Confident	77.5	Confident	18 Å²	18	58.7 Å²	58.7	12%	0.122	32%	0.317	C	S	.	.	H	α-helix	trans	-73.5	-45.8	-176.4	-63.8	0	0	0	0	112.4	V719 C737 R738 Q743 V744	V719-C740 HydrophobicContact CB-CB 3.81Å; V719-C740 HydrophobicContact CG1-CB 3.7Å; C737-C740 HydrophobicContact CB-CB 3.96Å; C737-C740 WeakPolarHBondContact O-CB 3.18Å; C737-C740 PolarHBondContact O-N 3.08Å; R738-C740 VanDerWaalsContact C-N 3.27Å; R738-C740 PolarHBondContact O-N 3.49Å; C740-Q743 PolarHBondContact O-N 3.39Å; C740-V744 WeakPolarHBondContact O-CG2 3.28Å; C740-V744 PolarHBondContact O-N 3.36Å; C740-V744 VanDerWaalsContact O-N 3.15Å
741	I	83.3	Confident	77.5	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-73.3	-33.2	177.8	-159.9	64.9	0	0	0	111.5	V728 T730 Y736 C737 Q743 V744 I745 P754 I760 L765	V728-I741 HydrophobicContact CG2-CG2 3.41Å; V728-I741 VanDerWaalsContact CG2-CG2 3.41Å; T730-I741 HydrophobicContact CG2-CG1 4.42Å; Y736-I741 HydrophobicContact CD1-CD1 4.14Å; Y736-I741 HydrophobicContact CD2-CB 4.46Å; Y736-I741 HydrophobicContact CD2-CD1 3.89Å; Y736-I741 HydrophobicContact CD2-CG1 4.17Å; Y736-I741 HydrophobicContact CE1-CD1 4.29Å; Y736-I741 HydrophobicContact CE2-CD1 4.06Å; Y736-I741 HydrophobicContact CG-CB 4.14Å; Y736-I741 HydrophobicContact CG-CD1 3.95Å; Y736-I741 HydrophobicContact CG-CG1 4.27Å; C737-I741 PolarHBondContact O-N 3.35Å; C737-I741 VanDerWaalsContact O-N 3.07Å; I741-Q743 VanDerWaalsContact C-N 3.29Å; I741-Q743 PolarHBondContact O-N 2.9Å; I741-V744 HydrophobicContact CD1-CB 4.4Å; I741-V744 PolarHBondContact O-N 3.38Å; I741-I745 HydrophobicContact CG1-CD1 4.25Å; I741-I745 VanDerWaalsContact O-CG1 3.31Å; I741-I745 WeakPolarHBondContact O-CG1 3.48Å; I741-I745 PolarHBondContact O-N 3.5Å; I741-P754 HydrophobicContact CD1-CG 4.35Å; I741-I760 HydrophobicContact CD1-CD1 3.6Å; I741-I760 HydrophobicContact CG1-CD1 4.03Å; I741-L765 HydrophobicContact CG1-CD2 4.21Å; I741-L765 HydrophobicContact CG2-CD1 3.68Å; I741-L765 HydrophobicContact CG2-CD2 4.07Å
742	A	83.3	Confident	78.1	Confident	40 Å²	40	62.3 Å²	62.3	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-39.2	171.6	0	0	0	0	0	111.5	R738 I745 S746	R738-A742 WeakPolarHBondContact O-CB 3.49Å; R738-A742 PolarHBondContact O-N 2.89Å; A742-I745 PolarHBondContact O-N 3.43Å; A742-S746 WeakPolarHBondContact O-CB 3.1Å; A742-S746 PolarHBondContact O-N 2.92Å; A742-S746 PolarHBondContact O-OG 2.75Å
743	Q	81.9	Confident	78.5	Confident	124 Å²	124	60.7 Å²	60.7	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-48.1	173.7	-174.4	174.5	-6.1	0	0	111.6	P739 C740 I741 I745 S746 S747	P739-Q743 WeakPolarHBondContact O-CB 3.44Å; P739-Q743 PolarHBondContact O-N 3.01Å; C740-Q743 PolarHBondContact O-N 3.39Å; I741-Q743 VanDerWaalsContact C-N 3.29Å; I741-Q743 PolarHBondContact O-N 2.9Å; Q743-I745 VanDerWaalsContact C-N 3.31Å; Q743-I745 PolarHBondContact O-N 3.44Å; Q743-S746 WeakPolarHBondContact CA-OG 3.27Å; Q743-S746 PolarHBondContact O-N 3.14Å; Q743-S746 VanDerWaalsContact O-N 3.14Å; Q743-S746 PolarHBondContact O-OG 2.71Å; Q743-S747 PolarHBondContact O-N 3.34Å; Q743-S747 PolarHBondContact O-OG 3.09Å; Q743-S747 VanDerWaalsContact O-OG 3.12Å
744	V	81.3	Confident	78.9	Confident	22 Å²	22	61.7 Å²	61.7	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-55.5	-46.5	175.7	172.9	0	0	0	0	111.1	V719 C740 I741 S746 S747 E748 P754 I760	V719-V744 HydrophobicContact CG1-CG2 4.2Å; V719-V744 HydrophobicContact CG2-CG2 4Å; C740-V744 WeakPolarHBondContact O-CG2 3.28Å; C740-V744 PolarHBondContact O-N 3.36Å; C740-V744 VanDerWaalsContact O-N 3.15Å; I741-V744 HydrophobicContact CD1-CB 4.4Å; I741-V744 PolarHBondContact O-N 3.38Å; V744-S746 VanDerWaalsContact C-N 3.34Å; V744-S746 PolarHBondContact O-N 2.95Å; V744-S747 WeakPolarHBondContact CA-OG 3.31Å; V744-S747 PolarHBondContact O-N 2.98Å; V744-S747 PolarHBondContact O-OG 3.27Å; V744-E748 PolarHBondContact O-N 2.71Å; V744-P754 HydrophobicContact CG1-CG 4.43Å; V744-P754 HydrophobicContact CG2-CG 4.33Å; V744-I760 HydrophobicContact CG1-CD1 4.48Å
745	I	85.9	Confident	78.9	Confident	25 Å²	25	63.7 Å²	63.7	13%	0.128	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-35.3	179.4	-62	160.5	0	0	0	111.8	I741 A742 Q743 S747 A751 I760 T762 L765	I741-I745 HydrophobicContact CG1-CD1 4.25Å; I741-I745 VanDerWaalsContact O-CG1 3.31Å; I741-I745 WeakPolarHBondContact O-CG1 3.48Å; I741-I745 PolarHBondContact O-N 3.5Å; A742-I745 PolarHBondContact O-N 3.43Å; Q743-I745 VanDerWaalsContact C-N 3.31Å; Q743-I745 PolarHBondContact O-N 3.44Å; I745-S747 VanDerWaalsContact C-N 3.34Å; I745-A751 HydrophobicContact CB-CB 4.13Å; I745-A751 HydrophobicContact CG1-CB 3.94Å; I745-A751 HydrophobicContact CG2-CB 4.17Å; I745-I760 HydrophobicContact CD1-CD1 4.18Å; I745-I760 HydrophobicContact CG1-CD1 3.75Å; I745-I760 HydrophobicContact CG1-CG1 4.06Å; I745-T762 WeakPolarHBondContact CG2-OG1 3.5Å; I745-L765 HydrophobicContact CD1-CD1 3.81Å; I745-L765 HydrophobicContact CD1-CD2 4.31Å; I745-L765 HydrophobicContact CD1-CG 4.2Å
746	S	81.8	Confident	78.4	Confident	99 Å²	99	65.1 Å²	65.1	69%	0.692	35%	0.345	S	S	*	.	H	α-helix	trans	-72.5	-24.3	176.4	72.8	0	0	0	0	114.2	A742 Q743 V744	A742-S746 WeakPolarHBondContact O-CB 3.1Å; A742-S746 PolarHBondContact O-N 2.92Å; A742-S746 PolarHBondContact O-OG 2.75Å; Q743-S746 WeakPolarHBondContact CA-OG 3.27Å; Q743-S746 PolarHBondContact O-N 3.14Å; Q743-S746 VanDerWaalsContact O-N 3.14Å; Q743-S746 PolarHBondContact O-OG 2.71Å; V744-S746 VanDerWaalsContact C-N 3.34Å; V744-S746 PolarHBondContact O-N 2.95Å
747	S	78	Confident	78.2	Confident	88 Å²	88	74.7 Å²	74.7	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-88.7	-19.7	-177.3	53.6	0	0	0	0	114.8	Q743 V744 I745	Q743-S747 PolarHBondContact O-N 3.34Å; Q743-S747 PolarHBondContact O-OG 3.09Å; Q743-S747 VanDerWaalsContact O-OG 3.12Å; V744-S747 WeakPolarHBondContact CA-OG 3.31Å; V744-S747 PolarHBondContact O-N 2.98Å; V744-S747 PolarHBondContact O-OG 3.27Å; I745-S747 VanDerWaalsContact C-N 3.34Å
748	E	76.6	Confident	78.1	Confident	93 Å²	93	76.9 Å²	76.9	44%	0.435	40%	0.396	S	S	.	.			trans	-119.6	126.3	-174.5	-67.6	-172.3	169.4	0	0	111.8	V744 K750 A751 R752	V744-E748 PolarHBondContact O-N 2.71Å; E748-K750 PolarHBondContact O-N 3.13Å; E748-K750 VanDerWaalsContact O-N 3.13Å; E748-A751 HydrophobicContact CB-CB 4.25Å; E748-A751 WeakPolarHBondContact OE2-CA 3.43Å; E748-R752 PolarHBondContact OE2-N 3.32Å
749	Q	67.1	Low	78.2	Confident	215 Å²	215	77.4 Å²	77.4	100%	1.005	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.9	175.8	-110.3	178.1	-3.6	0	0	114
750	K	79.8	Confident	78.4	Confident	124 Å²	124	74.4 Å²	74.4	54%	0.539	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	70	175.4	-166.3	169.9	-175	175.9	0	109.9	E748 E759	E748-K750 PolarHBondContact O-N 3.13Å; E748-K750 VanDerWaalsContact O-N 3.13Å; K750-E759 WeakPolarHBondContact CE-OE1 3.41Å; K750-E759 WeakPolarHBondContact CE-OE2 3.36Å; K750-E759 IonicContact NZ-OE1 3.21Å; K750-E759 IonicContact NZ-OE2 3.21Å; K750-E759 PolarHBondContact NZ-OE2 3.11Å
751	A	80.8	Confident	78.5	Confident	7 Å²	7	78 Å²	78	6%	0.058	40%	0.396	C	S	.	.			trans	-54.7	135.2	-170.2	0	0	0	0	0	113.8	I745 E748 I760	I745-A751 HydrophobicContact CB-CB 4.13Å; I745-A751 HydrophobicContact CG1-CB 3.94Å; I745-A751 HydrophobicContact CG2-CB 4.17Å; E748-A751 HydrophobicContact CB-CB 4.25Å; E748-A751 WeakPolarHBondContact OE2-CA 3.43Å; A751-I760 HydrophobicContact CB-CD1 4.42Å; A751-I760 HydrophobicContact CB-CG1 3.89Å; A751-I760 WeakPolarHBondContact O-CG1 3.31Å; A751-I760 PolarHBondContact O-N 2.96Å
752	R	82.6	Confident	78.2	Confident	143 Å²	143	82.3 Å²	82.3	54%	0.54	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-119.9	145.1	179.1	-62.9	-177.5	-174.6	-178	-0.7	111.9	E748 P754 S758	E748-R752 PolarHBondContact OE2-N 3.32Å; R752-P754 VanDerWaalsContact O-CD 3.3Å; R752-P754 WeakPolarHBondContact O-CD 3.37Å; R752-S758 CarbonylContact C-O 3.51Å; R752-S758 WeakPolarHBondContact CA-O 3.41Å
753	C	78.4	Confident	77.5	Confident	1 Å²	1	85.1 Å²	85.1	1%	0.007	44%	0.439	C	S	.	.			trans	-57.6	120.5	172.2	178.7	0	0	0	0	110.4	C732 Y736 L755 C756 R757 S758 I760	C732-C753 PolarHBondContact SG-SG 2.71Å; Y736-C753 PolarHBondContact OH-SG 2.68Å; C753-L755 PolarHBondContact O-N 3.06Å; C753-L755 VanDerWaalsContact O-N 3.09Å; C753-C756 PolarHBondContact SG-SG 3.05Å; C753-R757 WeakPolarHBondContact O-CA 3.24Å; C753-R757 PolarHBondContact O-N 2.74Å; C753-S758 WeakPolarHBondContact CB-O 3.5Å; C753-S758 PolarHBondContact N-O 3.01Å; C753-I760 HydrophobicContact CB-CG2 3.94Å
754	P	76.3	Confident	76.9	Confident	56 Å²	56	81.5 Å²	81.5	36%	0.364	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.5	-179.8	-30.9	35.9	0	0	0	115.3	V719 Y736 I741 V744 R752	V719-P754 HydrophobicContact CG2-CB 4.38Å; V719-P754 HydrophobicContact CG2-CG 3.78Å; Y736-P754 HydrophobicContact CE1-CB 4.08Å; Y736-P754 HydrophobicContact CE1-CG 3.86Å; Y736-P754 WeakPolarHBondContact OH-CD 3.4Å; I741-P754 HydrophobicContact CD1-CG 4.35Å; V744-P754 HydrophobicContact CG1-CG 4.43Å; V744-P754 HydrophobicContact CG2-CG 4.33Å; R752-P754 VanDerWaalsContact O-CD 3.3Å; R752-P754 WeakPolarHBondContact O-CD 3.37Å
755	L	69.5	Low	76.6	Confident	97 Å²	97	81.3 Å²	81.3	51%	0.508	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-44.6	-177	-70.2	170.7	0	0	0	114.3	S718 H734 Y736 C753	S718-L755 WeakPolarHBondContact OG-CG 3.4Å; H734-L755 HydrophobicContact CB-CD1 4.2Å; H734-L755 WeakPolarHBondContact CD2-CD1 3.49Å; Y736-L755 WeakPolarHBondContact OH-CG 3.45Å; Y736-L755 PolarHBondContact OH-N 3Å; C753-L755 PolarHBondContact O-N 3.06Å; C753-L755 VanDerWaalsContact O-N 3.09Å
756	C	66.4	Low	75.9	Confident	51 Å²	51	80.7 Å²	80.7	35%	0.345	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	0.6	-174.2	68.5	0	0	0	0	115	C732 H734 C753 S758	C732-C756 PolarHBondContact SG-SG 3.22Å; H734-C756 VanDerWaalsContact CE1-SG 3.53Å; C753-C756 PolarHBondContact SG-SG 3.05Å; C756-S758 PolarHBondContact O-N 2.9Å; C756-S758 PolarHBondContact SG-OG 3.33Å
757	R	75.9	Confident	74.9	Confident	200 Å²	200	80.5 Å²	80.5	76%	0.755	41%	0.406	S	S	*	.			trans	60.4	6.8	179.7	-55.1	178.1	179.4	175.8	-1.4	116.2	C753	C753-R757 WeakPolarHBondContact O-CA 3.24Å; C753-R757 PolarHBondContact O-N 2.74Å
758	S	74.6	Confident	73.9	Confident	52 Å²	52	79 Å²	79	36%	0.364	39%	0.388	S	S	.	.			trans	-57.3	145.5	168.6	-55.1	0	0	0	0	111	R752 C753 C756	R752-S758 CarbonylContact C-O 3.51Å; R752-S758 WeakPolarHBondContact CA-O 3.41Å; C753-S758 WeakPolarHBondContact CB-O 3.5Å; C753-S758 PolarHBondContact N-O 3.01Å; C756-S758 PolarHBondContact O-N 2.9Å; C756-S758 PolarHBondContact SG-OG 3.33Å
759	E	80.1	Confident	72.7	Confident	98 Å²	98	77.7 Å²	77.7	46%	0.458	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-62	140.7	175.7	-166.1	165.4	164.6	0	0	110.8	K750	K750-E759 WeakPolarHBondContact CE-OE1 3.41Å; K750-E759 WeakPolarHBondContact CE-OE2 3.36Å; K750-E759 IonicContact NZ-OE1 3.21Å; K750-E759 IonicContact NZ-OE2 3.21Å; K750-E759 PolarHBondContact NZ-OE2 3.11Å
760	I	83.3	Confident	71.6	Confident	9 Å²	9	72.3 Å²	72.3	5%	0.046	37%	0.372	C	S	.	.			trans	-135	141.9	-179.2	54.3	170.6	0	0	0	110.7	T730 I741 V744 I745 A751 C753	T730-I760 HydrophobicContact CG2-CG2 3.96Å; I741-I760 HydrophobicContact CD1-CD1 3.6Å; I741-I760 HydrophobicContact CG1-CD1 4.03Å; V744-I760 HydrophobicContact CG1-CD1 4.48Å; I745-I760 HydrophobicContact CD1-CD1 4.18Å; I745-I760 HydrophobicContact CG1-CD1 3.75Å; I745-I760 HydrophobicContact CG1-CG1 4.06Å; A751-I760 HydrophobicContact CB-CD1 4.42Å; A751-I760 HydrophobicContact CB-CG1 3.89Å; A751-I760 WeakPolarHBondContact O-CG1 3.31Å; A751-I760 PolarHBondContact O-N 2.96Å; C753-I760 HydrophobicContact CB-CG2 3.94Å
761	K	81.6	Confident	69.9	Low	94 Å²	94	70.8 Å²	70.8	41%	0.409	37%	0.366	S	S	.	.			trans	-128	151.9	174.8	-50	-165.5	-164.5	88.1	0	110.9	S763 E764 L765	K761-S763 VanDerWaalsContact C-N 3.25Å; K761-S763 PolarHBondContact O-N 2.99Å; K761-E764 HydrophobicContact CB-CB 4.32Å; K761-E764 HydrophobicContact CB-CG 4.15Å; K761-E764 WeakPolarHBondContact CD-OE1 3.03Å; K761-E764 IonicContact NZ-OE1 2.74Å; K761-E764 PolarHBondContact NZ-OE1 2.98Å; K761-E764 IonicContact NZ-OE2 3.35Å; K761-E764 WeakPolarHBondContact O-CB 3.41Å; K761-E764 PolarHBondContact O-N 3.46Å; K761-L765 PolarHBondContact O-N 3.12Å
762	T	77.3	Confident	67.6	Low	91 Å²	91	78.5 Å²	78.5	56%	0.558	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-59.2	-37	178.6	-44	0	0	0	0	112.4	I745 E764 L765	I745-T762 WeakPolarHBondContact CG2-OG1 3.5Å; T762-E764 PolarHBondContact O-N 3.07Å; T762-L765 PolarHBondContact O-N 3.35Å
763	S	69.3	Low	65.2	Low	98 Å²	98	79.3 Å²	79.3	69%	0.685	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11.1	176.6	55.5	0	0	0	0	114.7	K761	K761-S763 VanDerWaalsContact C-N 3.25Å; K761-S763 PolarHBondContact O-N 2.99Å
764	E	68.3	Low	63.1	Low	48 Å²	48	88.1 Å²	88.1	22%	0.224	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-107.7	1.7	-178.1	-70.5	170.2	-157.9	0	0	112	K761 T762	K761-E764 HydrophobicContact CB-CB 4.32Å; K761-E764 HydrophobicContact CB-CG 4.15Å; K761-E764 WeakPolarHBondContact CD-OE1 3.03Å; K761-E764 IonicContact NZ-OE1 2.74Å; K761-E764 PolarHBondContact NZ-OE1 2.98Å; K761-E764 IonicContact NZ-OE2 3.35Å; K761-E764 WeakPolarHBondContact O-CB 3.41Å; K761-E764 PolarHBondContact O-N 3.46Å; T762-E764 PolarHBondContact O-N 3.07Å
765	L	74.1	Confident	60.9	Low	19 Å²	19	91 Å²	91	10%	0.099	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-78.2	129.6	171.2	-63.9	179.5	0	0	0	109.6	T730 I741 I745 K761 T762	T730-L765 HydrophobicContact CG2-CD2 3.93Å; I741-L765 HydrophobicContact CG1-CD2 4.21Å; I741-L765 HydrophobicContact CG2-CD1 3.68Å; I741-L765 HydrophobicContact CG2-CD2 4.07Å; I745-L765 HydrophobicContact CD1-CD1 3.81Å; I745-L765 HydrophobicContact CD1-CD2 4.31Å; I745-L765 HydrophobicContact CD1-CG 4.2Å; K761-L765 PolarHBondContact O-N 3.12Å; T762-L765 PolarHBondContact O-N 3.35Å
766	V	71.4	Confident	59.4	Low	11 Å²	11	94.9 Å²	94.9	7%	0.067	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.6	175.7	-179.7	0	0	0	0	108.1	R698 L701 V702 V728 I729	R698-V766 HydrophobicContact CG-CG2 3.87Å; L701-V766 HydrophobicContact CB-CG2 4.44Å; L701-V766 HydrophobicContact CD1-CG2 4.33Å; V702-V766 HydrophobicContact CB-CG1 4.5Å; V702-V766 HydrophobicContact CG2-CG1 3.35Å; V728-V766 WeakPolarHBondContact CA-O 3.31Å; I729-V766 HydrophobicContact CG2-CB 3.72Å; I729-V766 HydrophobicContact CG2-CG1 4.16Å; I729-V766 PolarHBondContact N-O 3.14Å; I729-V766 PolarHBondContact O-N 3.23Å
767	E	62.3	Low	57.8	Low	96 Å²	96	99.9 Å²	99.9	45%	0.449	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	145.9	179.5	-59.4	-173.4	-142.2	0	0	110.8	V728 R738 P769	V728-E767 HydrophobicContact CG1-CG 4.12Å; R738-E767 IonicContact CZ-OE1 3.49Å; R738-E767 IonicContact CZ-OE2 3.77Å; R738-E767 IonicContact NE-OE2 2.74Å; R738-E767 PolarHBondContact NE-OE2 3.43Å; R738-E767 IonicContact NH1-OE1 2.7Å; R738-E767 PolarHBondContact NH1-OE1 2.87Å; R738-E767 IonicContact NH1-OE2 3.41Å; R738-E767 PolarHBondContact NH1-OE2 3.09Å; R738-E767 VanDerWaalsContact NH2-CD 3.25Å; R738-E767 IonicContact NH2-OE1 3.08Å; R738-E767 PolarHBondContact NH2-OE1 2.99Å; R738-E767 IonicContact NH2-OE2 2.73Å; R738-E767 PolarHBondContact NH2-OE2 3.29Å; R738-E767 VanDerWaalsContact NH2-OE2 3.13Å; E767-P769 WeakPolarHBondContact O-CD 3.37Å
768	F	56.4	Low	56	Low	55 Å²	55	95.2 Å²	95.2	24%	0.241	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-69.2	120.1	167.1	-170	-107.5	0	0	0	107.8	M705 R706 L709 P727 E771	M705-F768 HydrophobicContact CE-CB 3.72Å; M705-F768 HydrophobicContact CE-CD2 4.23Å; M705-F768 HydrophobicContact CE-CG 4.5Å; M705-F768 VanDerWaalsContact CE-N 3.32Å; M705-F768 HydrophobicContact CG-CD2 4.5Å; R706-F768 HydrophobicContact CB-CE2 4.06Å; R706-F768 HydrophobicContact CG-CE2 4.04Å; R706-F768 HydrophobicContact CG-CZ 4.44Å; L709-F768 HydrophobicContact CD1-CD2 3.7Å; L709-F768 HydrophobicContact CD1-CE2 3.88Å; L709-F768 HydrophobicContact CD1-CG 4.13Å; L709-F768 HydrophobicContact CD1-CZ 4.45Å; P727-F768 HydrophobicContact CG-CB 3.94Å; P727-F768 HydrophobicContact CG-CG 4.24Å; P727-F768 WeakPolarHBondContact O-CB 3.36Å; P727-F768 PolarHBondContact O-N 3.17Å; F768-E771 HydrophobicContact CE1-CG 4.45Å
769	P	50.8	Low	54.2	Low	66 Å²	66	99.2 Å²	99.2	43%	0.429	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-56.4	134.6	170	-19.2	31.5	0	0	0	107.7	V702 E767 E771	V702-P769 HydrophobicContact CG1-CG 3.93Å; E767-P769 WeakPolarHBondContact O-CD 3.37Å; P769-E771 PolarHBondContact O-N 2.94Å
770	P	44.9	Very low	52.1	Low	102 Å²	102	102.7 Å²	102.7	66%	0.662	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-52.8	141.4	162.9	26.3	-32.7	0	0	0	107.6	E772	P770-E772 PolarHBondContact O-N 3.12Å
771	E	44.2	Very low	50.2	Low	92 Å²	92	108.1 Å²	108.1	43%	0.43	57%	0.573	S	S	.	*			trans	-65.3	92.9	168.1	-68.7	-169.7	145	0	0	106.7	F768 P769 M773	F768-E771 HydrophobicContact CE1-CG 4.45Å; P769-E771 PolarHBondContact O-N 2.94Å; E771-M773 PolarHBondContact O-N 3.37Å; E771-M773 VanDerWaalsContact O-N 3.12Å
772	E	32.6	Very low	48.3	Very low	170 Å²	170	109.7 Å²	109.7	79%	0.794	59%	0.586	S	S	*	*			trans	-52.7	119.7	162.2	-70.1	-175.7	176	0	0	105.7	P770 E774	P770-E772 PolarHBondContact O-N 3.12Å; E772-E774 VanDerWaalsContact C-N 3.33Å; E772-E774 PolarHBondContact O-N 3.49Å
773	M	32.5	Very low	47.4	Very low	159 Å²	159	117 Å²	117	78%	0.783	60%	0.603	S	S	*	*			trans	-64.8	105.3	168.9	-65.5	-169.7	-63.5	0	0	105	E771 D775	E771-M773 PolarHBondContact O-N 3.37Å; E771-M773 VanDerWaalsContact O-N 3.12Å; M773-D775 PolarHBondContact O-N 3.47Å
774	E	34.2	Very low	47.4	Very low	186 Å²	186	116 Å²	116	87%	0.869	58%	0.584	S	S	*	*			trans	-51.4	109	161.4	-73	175.3	172.5	0	0	105.6	E772	E772-E774 VanDerWaalsContact C-N 3.33Å; E772-E774 PolarHBondContact O-N 3.49Å
775	D	28.3	Very low	48	Very low	118 Å²	118	117 Å²	117	63%	0.631	59%	0.586	S	S	*	*			trans	-49.2	145.8	-178	-94.3	-23.5	0	0	0	109.3	M773 K777	M773-D775 PolarHBondContact O-N 3.47Å; D775-K777 HydrophobicContact CB-CD 4.38Å; D775-K777 HydrophobicContact CB-CG 4.39Å; D775-K777 PolarHBondContact O-N 2.6Å; D775-K777 IonicContact OD2-NZ 3Å
776	E	38.6	Very low	48.5	Very low	177 Å²	177	118.9 Å²	118.9	83%	0.827	60%	0.599	S	S	*	*	S	Bend	trans	-68.6	59.6	177	-67.3	-173.9	125.1	0	0	112.2	R827	E776-R827 IonicContact OE1-NH2 3.59Å
777	K	33.1	Very low	49.4	Very low	157 Å²	157	118.4 Å²	118.4	68%	0.683	60%	0.596	S	S	*	*			trans	-119.6	95	-178.9	-75	179	-178.6	159.3	0	110.5	D775	D775-K777 HydrophobicContact CB-CD 4.38Å; D775-K777 HydrophobicContact CB-CG 4.39Å; D775-K777 PolarHBondContact O-N 2.6Å; D775-K777 IonicContact OD2-NZ 3Å
778	S	38.6	Very low	50.8	Low	102 Å²	102	114.2 Å²	114.2	71%	0.713	58%	0.577	S	S	*	*			trans	48.6	75.8	154.3	57.8	0	0	0	0	116	E780	S778-E780 VanDerWaalsContact C-N 3.33Å; S778-E780 PolarHBondContact O-N 3.38Å; S778-E780 VanDerWaalsContact O-N 3.16Å
779	V	37.5	Very low	52.6	Low	136 Å²	136	111.7 Å²	111.7	82%	0.824	57%	0.566	S	S	*	*			trans	-70.3	99.1	145.3	-180	0	0	0	0	106.6	S781	V779-S781 PolarHBondContact O-N 3.1Å
780	E	35.4	Very low	54.7	Low	171 Å²	171	108.6 Å²	108.6	80%	0.799	55%	0.546	S	S	*	.			trans	-67	114.6	173.3	-70.6	-176.4	130.5	0	0	110.3	S778 D782	S778-E780 VanDerWaalsContact C-N 3.33Å; S778-E780 PolarHBondContact O-N 3.38Å; S778-E780 VanDerWaalsContact O-N 3.16Å; E780-D782 VanDerWaalsContact C-N 3.28Å; E780-D782 PolarHBondContact O-N 2.82Å
781	S	42.3	Very low	57	Low	123 Å²	123	108.9 Å²	108.9	86%	0.86	54%	0.539	S	S	*	.			trans	49.2	19.6	144.8	-163.2	0	0	0	0	120.7	V779	V779-S781 PolarHBondContact O-N 3.1Å
782	D	43.3	Very low	59.3	Low	127 Å²	127	105.5 Å²	105.5	68%	0.679	53%	0.526	S	S	*	.			trans	-73.1	126.4	159.2	-109.9	-11	0	0	0	108.5	E780 W784	E780-D782 VanDerWaalsContact C-N 3.28Å; E780-D782 PolarHBondContact O-N 2.82Å; D782-W784 PolarHBondContact O-N 3.38Å
783	R	57	Low	62.3	Low	244 Å²	244	97.4 Å²	97.4	92%	0.921	49%	0.488	S	S	*	.			trans	-60.2	109.5	-174.7	-100.4	-179.1	171.8	167.9	-3	110.9	R785	R783-R785 PolarHBondContact O-N 3.3Å
784	W	70.1	Confident	65.3	Low	76 Å²	76	90.4 Å²	90.4	29%	0.288	45%	0.454	S	S	.	.			trans	-44.2	121.5	165.5	176.1	-116.5	0	0	0	111.6	H677 D679 D782 V821 T824	H677-W784 AromaticContact CE1-CH2 3.7Å; H677-W784 AromaticContact CE1-CZ2 3.98Å; H677-W784 AromaticContact NE2-CH2 3.88Å; H677-W784 AromaticContact NE2-CZ2 3.73Å; D679-W784 VanDerWaalsContact OD2-CZ3 3.26Å; D679-W784 WeakPolarHBondContact OD2-CZ3 3.2Å; D782-W784 PolarHBondContact O-N 3.38Å; W784-V821 HydrophobicContact CH2-CB 3.68Å; W784-V821 HydrophobicContact CH2-CG1 3.52Å; W784-V821 HydrophobicContact CH2-CG2 3.78Å; W784-V821 WeakPolarHBondContact CH2-O 3.2Å; W784-V821 HydrophobicContact CZ2-CB 4.39Å; W784-V821 HydrophobicContact CZ2-CG1 3.85Å; W784-V821 WeakPolarHBondContact CZ2-O 3.31Å; W784-V821 HydrophobicContact CZ3-CG2 4.36Å; W784-T824 HydrophobicContact CD2-CG2 4.16Å; W784-T824 HydrophobicContact CG-CG2 3.95Å
785	R	79.9	Confident	68.1	Low	70 Å²	70	83.5 Å²	83.5	26%	0.264	43%	0.432	S	S	.	.			trans	-92.9	141.8	175	-170.5	174.5	175.2	-159	-5.1	108.5	Q632 E636 H677 R783	Q632-R785 VanDerWaalsContact OE1-NH2 3.13Å; E636-R785 IonicContact OE1-CZ 3.19Å; E636-R785 IonicContact OE1-NH1 2.77Å; E636-R785 PolarHBondContact OE1-NH1 3.43Å; E636-R785 IonicContact OE1-NH2 3.34Å; E636-R785 PolarHBondContact OE1-NH2 2.74Å; E636-R785 IonicContact OE2-NH1 2.76Å; H677-R785 PolarHBondContact CE1-O 2.93Å; H677-R785 PolarHBondContact NE2-O 2.79Å; R783-R785 PolarHBondContact O-N 3.3Å
786	T	84.3	Confident	71.1	Confident	58 Å²	58	78.5 Å²	78.5	36%	0.356	41%	0.406	S	S	.	.			trans	-94.3	154	173	-168.9	0	0	0	0	110.8	Q791	T786-Q791 HydrophobicContact CG2-CG 4.14Å
787	S	90.4	Very high	73.7	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.007	37%	0.367	C	S	.	.			trans	-111.3	160.5	171.3	79.5	0	0	0	0	112.7	E633 C676 H677 K789 V790 Q791	E633-S787 WeakPolarHBondContact OE1-CA 3.45Å; E633-S787 WeakPolarHBondContact OE1-CB 3.44Å; C676-S787 WeakPolarHBondContact O-CB 3.47Å; C676-S787 PolarHBondContact O-OG 2.89Å; H677-S787 VanDerWaalsContact CD2-CB 3.4Å; H677-S787 WeakPolarHBondContact CD2-CB 3.41Å; H677-S787 PolarHBondContact CD2-OG 2.65Å; S787-K789 VanDerWaalsContact C-N 3.27Å; S787-K789 PolarHBondContact O-N 3.21Å; S787-V790 WeakPolarHBondContact O-CB 3.29Å; S787-V790 PolarHBondContact O-N 3.31Å; S787-V790 WeakPolarHBondContact OG-CG2 3.41Å; S787-V790 PolarHBondContact OG-N 2.9Å; S787-Q791 PolarHBondContact O-N 2.86Å
788	S	93.1	Very high	76.6	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.063	35%	0.351	C	S	.	.	H	α-helix	trans	-57.5	-37.1	178.5	-65.8	0	0	0	0	113.1	E628 S630 E633 Q791 A792	E628-S788 WeakPolarHBondContact O-CB 3.44Å; E628-S788 PolarHBondContact O-OG 3.02Å; S630-S788 PolarHBondContact N-OG 3.25Å; E633-S788 PolarHBondContact OE1-N 3.18Å; E633-S788 PolarHBondContact OE2-N 2.9Å; E633-S788 PolarHBondContact OE2-OG 2.96Å; S788-Q791 PolarHBondContact O-N 2.88Å; S788-A792 PolarHBondContact O-N 2.82Å
789	K	94.1	Very high	79.1	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-37.1	173.9	-73.6	-157.4	-173.6	-170.1	0	113.2	V627 C675 S787 Q791 A792 L793 F818 M885 F915 V917 E922	V627-K789 HydrophobicContact CG1-CG 4.28Å; V627-K789 HydrophobicContact CG2-CG 4.48Å; C675-K789 WeakPolarHBondContact O-CD 3.47Å; C675-K789 WeakPolarHBondContact O-CE 3.4Å; C675-K789 WeakPolarHBondContact O-CG 3.43Å; S787-K789 VanDerWaalsContact C-N 3.27Å; S787-K789 PolarHBondContact O-N 3.21Å; K789-Q791 VanDerWaalsContact C-N 3.34Å; K789-A792 PolarHBondContact O-N 3.34Å; K789-L793 WeakPolarHBondContact O-CB 3.43Å; K789-L793 PolarHBondContact O-N 3.36Å; K789-F818 HydrophobicContact CB-CZ 4.37Å; K789-M885 HydrophobicContact CB-CE 4.15Å; K789-M885 VanDerWaalsContact CD-O 3.3Å; K789-M885 WeakPolarHBondContact CD-O 3.44Å; K789-M885 PolarHBondContact NZ-O 2.88Å; K789-F915 HydrophobicContact CD-CB 4.24Å; K789-F915 PolarHBondContact NZ-O 3.07Å; K789-V917 HydrophobicContact CG-CG2 4.41Å; K789-E922 WeakPolarHBondContact CE-OE2 3.49Å; K789-E922 IonicContact NZ-OE1 3.8Å; K789-E922 PolarHBondContact NZ-OE1 3.15Å; K789-E922 IonicContact NZ-OE2 2.89Å; K789-E922 PolarHBondContact NZ-OE2 2.97Å
790	V	93.8	Very high	81.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-43.2	175.4	173	0	0	0	0	109.8	S787 L793 M794 F818 V821 L822 P825	S787-V790 WeakPolarHBondContact O-CB 3.29Å; S787-V790 PolarHBondContact O-N 3.31Å; S787-V790 WeakPolarHBondContact OG-CG2 3.41Å; S787-V790 PolarHBondContact OG-N 2.9Å; V790-L793 PolarHBondContact O-N 3.32Å; V790-M794 HydrophobicContact CG1-CG 4.24Å; V790-M794 WeakPolarHBondContact O-CB 3.39Å; V790-M794 VanDerWaalsContact O-CG 3.25Å; V790-M794 WeakPolarHBondContact O-CG 3.46Å; V790-M794 PolarHBondContact O-N 3.42Å; V790-F818 HydrophobicContact CG2-CE2 3.93Å; V790-F818 HydrophobicContact CG2-CZ 4.34Å; V790-V821 HydrophobicContact CG2-CG1 4.48Å; V790-L822 HydrophobicContact CG2-CD2 3.88Å; V790-P825 HydrophobicContact CG1-CB 4.16Å; V790-P825 HydrophobicContact CG1-CG 3.79Å
791	Q	93	Very high	84.1	Confident	109 Å²	109	56.6 Å²	56.6	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-46.4	175.2	-69.1	179.7	-27.5	0	0	112.4	T786 S787 S788 K789 L793 M794 G795	T786-Q791 HydrophobicContact CG2-CG 4.14Å; S787-Q791 PolarHBondContact O-N 2.86Å; S788-Q791 PolarHBondContact O-N 2.88Å; K789-Q791 VanDerWaalsContact C-N 3.34Å; Q791-L793 PolarHBondContact O-N 2.87Å; Q791-M794 PolarHBondContact O-N 3.29Å; Q791-G795 PolarHBondContact O-N 3.34Å
792	A	94.3	Very high	86.3	Confident	20 Å²	20	55.4 Å²	55.4	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-41.3	177.4	0	0	0	0	0	112.7	V627 S788 K789 N796 F915	V627-A792 HydrophobicContact CG2-CB 4.09Å; S788-A792 PolarHBondContact O-N 2.82Å; K789-A792 PolarHBondContact O-N 3.34Å; A792-N796 PolarHBondContact O-N 3.3Å; A792-N796 VanDerWaalsContact O-N 3.15Å; A792-N796 PolarHBondContact O-ND2 2.97Å; A792-F915 HydrophobicContact CB-CD1 4.08Å; A792-F915 HydrophobicContact CB-CE1 3.75Å; A792-F915 HydrophobicContact CB-CZ 4.45Å
793	L	95.4	Very high	88.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-50.6	173.2	175.8	70	0	0	0	111.5	K789 V790 Q791 G795 N796 L797 V811 L822 F883 M885 F915	K789-L793 WeakPolarHBondContact O-CB 3.43Å; K789-L793 PolarHBondContact O-N 3.36Å; V790-L793 PolarHBondContact O-N 3.32Å; Q791-L793 PolarHBondContact O-N 2.87Å; L793-G795 PolarHBondContact O-N 3.34Å; L793-N796 PolarHBondContact O-N 3Å; L793-L797 HydrophobicContact CD1-CD1 3.98Å; L793-L797 HydrophobicContact CD1-CG 4.04Å; L793-L797 HydrophobicContact CD2-CD1 4.29Å; L793-L797 HydrophobicContact CG-CD1 3.83Å; L793-L797 HydrophobicContact CG-CG 4.24Å; L793-L797 WeakPolarHBondContact O-CG 3.29Å; L793-L797 PolarHBondContact O-N 3.44Å; L793-V811 HydrophobicContact CD1-CG1 4.35Å; L793-V811 HydrophobicContact CD1-CG2 4Å; L793-V811 HydrophobicContact CD2-CG1 3.88Å; L793-V811 HydrophobicContact CD2-CG2 4.35Å; L793-L822 HydrophobicContact CD2-CD1 4.39Å; L793-L822 HydrophobicContact CD2-CD2 3.6Å; L793-F883 HydrophobicContact CD1-CB 3.81Å; L793-F883 HydrophobicContact CD1-CD1 3.98Å; L793-F883 HydrophobicContact CD1-CD2 3.89Å; L793-F883 HydrophobicContact CD1-CE2 4.46Å; L793-F883 HydrophobicContact CD1-CG 3.61Å; L793-M885 HydrophobicContact CB-CE 4.04Å; L793-M885 HydrophobicContact CB-SD 4.2Å; L793-M885 HydrophobicContact CD1-SD 4.01Å; L793-M885 HydrophobicContact CD2-CE 4.07Å; L793-M885 HydrophobicContact CD2-SD 3.9Å; L793-M885 HydrophobicContact CG-SD 4.24Å; L793-F915 HydrophobicContact CB-CE2 4.09Å; L793-F915 HydrophobicContact CB-CZ 4.27Å; L793-F915 HydrophobicContact CD1-CE2 4.01Å
794	M	94.2	Very high	89.7	Confident	12 Å²	12	45.3 Å²	45.3	6%	0.059	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-176.7	-68.3	-55.4	-66.8	0	0	111.8	V790 Q791 N796 L797 L798 P825 L826 H829 F831	V790-M794 HydrophobicContact CG1-CG 4.24Å; V790-M794 WeakPolarHBondContact O-CB 3.39Å; V790-M794 VanDerWaalsContact O-CG 3.25Å; V790-M794 WeakPolarHBondContact O-CG 3.46Å; V790-M794 PolarHBondContact O-N 3.42Å; Q791-M794 PolarHBondContact O-N 3.29Å; M794-N796 PolarHBondContact O-N 3.2Å; M794-L797 PolarHBondContact O-N 2.88Å; M794-L797 HydrophobicContact SD-CD1 4.24Å; M794-L798 WeakPolarHBondContact O-CB 3.25Å; M794-L798 VanDerWaalsContact O-CG 3.24Å; M794-L798 WeakPolarHBondContact O-CG 3.17Å; M794-L798 PolarHBondContact O-N 3.34Å; M794-P825 HydrophobicContact CE-CB 4.45Å; M794-P825 WeakPolarHBondContact CE-O 3.35Å; M794-P825 HydrophobicContact CG-CB 4.27Å; M794-P825 HydrophobicContact SD-CB 4.26Å; M794-L826 HydrophobicContact CE-CD2 4.4Å; M794-L826 HydrophobicContact SD-CD2 3.92Å; M794-L826 HydrophobicContact SD-CG 4.43Å; M794-H829 HydrophobicContact CE-CB 3.63Å; M794-H829 VanDerWaalsContact CE-CG 3.47Å; M794-H829 WeakPolarHBondContact CE-ND1 3.23Å; M794-F831 HydrophobicContact CE-CD2 4.06Å; M794-F831 HydrophobicContact CE-CE2 3.76Å
795	G	92.7	Very high	90.1	Very high	41 Å²	41	46.9 Å²	46.9	42%	0.423	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-44.5	172.9	0	0	0	0	0	112.4	Q791 L793 R799	Q791-G795 PolarHBondContact O-N 3.34Å; L793-G795 PolarHBondContact O-N 3.34Å; G795-R799 VanDerWaalsContact O-CB 3.29Å; G795-R799 WeakPolarHBondContact O-CB 3.38Å; G795-R799 PolarHBondContact O-N 2.95Å
796	N	93.1	Very high	90.2	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-43.1	174.4	-85.5	-70.4	0	0	0	112.7	E625 A792 L793 M794 R799 L800 F883	E625-N796 PolarHBondContact OE1-ND2 2.75Å; E625-N796 PolarHBondContact OE2-ND2 3.07Å; A792-N796 PolarHBondContact O-N 3.3Å; A792-N796 VanDerWaalsContact O-N 3.15Å; A792-N796 PolarHBondContact O-ND2 2.97Å; L793-N796 PolarHBondContact O-N 3Å; M794-N796 PolarHBondContact O-N 3.2Å; N796-R799 PolarHBondContact O-N 3.09Å; N796-R799 PolarHBondContact OD1-NH2 3.38Å; N796-L800 WeakPolarHBondContact O-CB 3.26Å; N796-L800 VanDerWaalsContact O-CG 3.23Å; N796-L800 WeakPolarHBondContact O-CG 3.22Å; N796-L800 PolarHBondContact O-N 3.48Å; N796-F883 HydrophobicContact CB-CE1 3.76Å; N796-F883 HydrophobicContact CB-CZ 3.95Å
797	L	93.2	Very high	90.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-40.1	178.9	-71.8	176.6	0	0	0	112.8	L793 M794 L800 R801 C809 L826 F831 V862 F883	L793-L797 HydrophobicContact CD1-CD1 3.98Å; L793-L797 HydrophobicContact CD1-CG 4.04Å; L793-L797 HydrophobicContact CD2-CD1 4.29Å; L793-L797 HydrophobicContact CG-CD1 3.83Å; L793-L797 HydrophobicContact CG-CG 4.24Å; L793-L797 WeakPolarHBondContact O-CG 3.29Å; L793-L797 PolarHBondContact O-N 3.44Å; M794-L797 PolarHBondContact O-N 2.88Å; M794-L797 HydrophobicContact SD-CD1 4.24Å; L797-L800 PolarHBondContact O-N 3.47Å; L797-R801 WeakPolarHBondContact O-CB 3.47Å; L797-R801 PolarHBondContact O-N 3.5Å; L797-C809 HydrophobicContact CD2-CB 3.98Å; L797-L826 HydrophobicContact CD1-CD2 3.75Å; L797-F831 HydrophobicContact CB-CE1 4.11Å; L797-F831 HydrophobicContact CB-CE2 4.28Å; L797-F831 HydrophobicContact CB-CZ 3.65Å; L797-V862 HydrophobicContact CD1-CG2 4.49Å; L797-V862 HydrophobicContact CD2-CG2 4.33Å; L797-F883 HydrophobicContact CD2-CD2 4.25Å; L797-F883 HydrophobicContact CD2-CE2 3.69Å; L797-F883 HydrophobicContact CD2-CZ 4.39Å; L797-F883 HydrophobicContact CG-CE2 4.46Å
798	L	92.1	Very high	90.5	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.346	24%	0.242	S	C	.	.	H	α-helix	trans	-67.1	-42.6	176.1	-70.5	169.7	0	0	0	111.3	M794 R801 S802 F831	M794-L798 WeakPolarHBondContact O-CB 3.25Å; M794-L798 VanDerWaalsContact O-CG 3.24Å; M794-L798 WeakPolarHBondContact O-CG 3.17Å; M794-L798 PolarHBondContact O-N 3.34Å; L798-R801 WeakPolarHBondContact O-CB 3.21Å; L798-R801 PolarHBondContact O-N 3.05Å; L798-S802 PolarHBondContact O-N 3.41Å; L798-S802 VanDerWaalsContact O-N 3.1Å; L798-F831 HydrophobicContact CD2-CE2 4.12Å; L798-F831 HydrophobicContact CD2-CZ 4.19Å
799	R	91.5	Very high	90.6	Very high	118 Å²	118	43.6 Å²	43.6	45%	0.445	24%	0.241	S	C	.	.	H	α-helix	trans	-58.9	-48.8	172.9	-179.4	172.4	64.1	96.8	-9.6	111.5	G795 N796 R801 S802 E803	G795-R799 VanDerWaalsContact O-CB 3.29Å; G795-R799 WeakPolarHBondContact O-CB 3.38Å; G795-R799 PolarHBondContact O-N 2.95Å; N796-R799 PolarHBondContact O-N 3.09Å; N796-R799 PolarHBondContact OD1-NH2 3.38Å; R799-R801 VanDerWaalsContact C-N 3.31Å; R799-R801 PolarHBondContact O-N 3.06Å; R799-S802 PolarHBondContact O-N 2.83Å; R799-S802 PolarHBondContact O-OG 2.97Å; R799-E803 HydrophobicContact CG-CG 4.48Å; R799-E803 VanDerWaalsContact CG-OE1 3.31Å; R799-E803 WeakPolarHBondContact CG-OE1 3.36Å; R799-E803 IonicContact CZ-OE1 3.74Å; R799-E803 IonicContact NH1-OE1 3.49Å; R799-E803 PolarHBondContact NH1-OE1 3.3Å; R799-E803 WeakPolarHBondContact O-CG 3.42Å; R799-E803 PolarHBondContact O-N 3.15Å
800	L	90.4	Very high	90.6	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-38.3	176.5	-70.9	174.2	0	0	0	112.9	N796 L797 S802 E803 D804 L807 R881 F883	N796-L800 WeakPolarHBondContact O-CB 3.26Å; N796-L800 VanDerWaalsContact O-CG 3.23Å; N796-L800 WeakPolarHBondContact O-CG 3.22Å; N796-L800 PolarHBondContact O-N 3.48Å; L797-L800 PolarHBondContact O-N 3.47Å; L800-S802 VanDerWaalsContact C-N 3.25Å; L800-S802 PolarHBondContact O-N 3.47Å; L800-E803 PolarHBondContact O-N 3.45Å; L800-D804 CarbonylContact O-C 3.58Å; L800-D804 PolarHBondContact O-N 3.06Å; L800-L807 HydrophobicContact CB-CD1 4.37Å; L800-L807 HydrophobicContact CD2-CD1 3.97Å; L800-R881 HydrophobicContact CD1-CB 4.34Å; L800-R881 HydrophobicContact CD1-CG 3.92Å; L800-R881 HydrophobicContact CD2-CG 4.47Å; L800-R881 VanDerWaalsContact CD2-NH2 3.25Å; L800-F883 HydrophobicContact CD1-CE2 3.93Å; L800-F883 HydrophobicContact CD1-CZ 3.61Å
801	R	88.2	Confident	90.7	Very high	91 Å²	91	43.5 Å²	43.5	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-34.8	174	-172.2	-166.8	-72.6	-173.3	-4.9	111.8	L797 L798 R799 V805 H829	L797-R801 WeakPolarHBondContact O-CB 3.47Å; L797-R801 PolarHBondContact O-N 3.5Å; L798-R801 WeakPolarHBondContact O-CB 3.21Å; L798-R801 PolarHBondContact O-N 3.05Å; R799-R801 VanDerWaalsContact C-N 3.31Å; R799-R801 PolarHBondContact O-N 3.06Å; R801-V805 WeakPolarHBondContact O-CG2 3.4Å; R801-H829 PolarHBondContact NH1-O 3.45Å; R801-H829 PolarHBondContact NH2-O 2.72Å
802	S	87.6	Confident	90.7	Very high	99 Å²	99	38.5 Å²	38.5	69%	0.692	22%	0.218	S	C	*	.	H	α-helix	trans	-78.6	-27	174.5	66.9	0	0	0	0	114.4	L798 R799 L800	L798-S802 PolarHBondContact O-N 3.41Å; L798-S802 VanDerWaalsContact O-N 3.1Å; R799-S802 PolarHBondContact O-N 2.83Å; R799-S802 PolarHBondContact O-OG 2.97Å; L800-S802 VanDerWaalsContact C-N 3.25Å; L800-S802 PolarHBondContact O-N 3.47Å
803	E	88.3	Confident	90.6	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	21%	0.21	S	C	.	.	H	α-helix	trans	-78.1	-49.8	177.5	-71.7	173.8	-165.8	0	0	112.4	R799 L800 R881	R799-E803 HydrophobicContact CG-CG 4.48Å; R799-E803 VanDerWaalsContact CG-OE1 3.31Å; R799-E803 WeakPolarHBondContact CG-OE1 3.36Å; R799-E803 IonicContact CZ-OE1 3.74Å; R799-E803 IonicContact NH1-OE1 3.49Å; R799-E803 PolarHBondContact NH1-OE1 3.3Å; R799-E803 WeakPolarHBondContact O-CG 3.42Å; R799-E803 PolarHBondContact O-N 3.15Å; L800-E803 PolarHBondContact O-N 3.45Å; E803-R881 IonicContact OE2-NH2 2.79Å
804	D	83.8	Confident	90.1	Very high	57 Å²	57	38.5 Å²	38.5	31%	0.305	21%	0.214	S	C	.	.			trans	-153.9	105.2	178	171.9	8.5	0	0	0	110.3	L800 G806 L807 R908	L800-D804 CarbonylContact O-C 3.58Å; L800-D804 PolarHBondContact O-N 3.06Å; D804-G806 PolarHBondContact O-N 3.17Å; D804-G806 VanDerWaalsContact O-N 3.12Å; D804-G806 WeakPolarHBondContact OD1-CA 3.44Å; D804-G806 PolarHBondContact OD1-N 2.9Å; D804-L807 HydrophobicContact CB-CD1 3.83Å; D804-L807 HydrophobicContact CB-CG 3.77Å; D804-L807 WeakPolarHBondContact O-CB 3.36Å; D804-L807 WeakPolarHBondContact O-CG 2.97Å; D804-L807 PolarHBondContact O-N 2.92Å; D804-L807 VanDerWaalsContact O-N 3.14Å; D804-L807 WeakPolarHBondContact OD2-CG 3.4Å; D804-R908 IonicContact OD2-CZ 3.58Å; D804-R908 IonicContact OD2-NH1 2.68Å; D804-R908 PolarHBondContact OD2-NH1 2.83Å; D804-R908 IonicContact OD2-NH2 3.79Å
805	V	78.8	Confident	89.7	Confident	109 Å²	109	38.5 Å²	38.5	66%	0.661	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.5	178.7	-174.3	0	0	0	0	112.5	R801	R801-V805 WeakPolarHBondContact O-CG2 3.4Å
806	G	81.8	Confident	89.3	Confident	32 Å²	32	38.5 Å²	38.5	33%	0.33	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.4	179.7	0	0	0	0	0	114.7	D804 R861	D804-G806 PolarHBondContact O-N 3.17Å; D804-G806 VanDerWaalsContact O-N 3.12Å; D804-G806 WeakPolarHBondContact OD1-CA 3.44Å; D804-G806 PolarHBondContact OD1-N 2.9Å; G806-R861 PolarHBondContact O-NH1 3.19Å; G806-R861 VanDerWaalsContact O-NH1 3.16Å
807	L	88.4	Confident	88.9	Confident	20 Å²	20	43.8 Å²	43.8	11%	0.105	23%	0.225	C	C	.	.			trans	-62.4	139.8	-173.8	-69.9	170.7	0	0	0	113	L800 D804 S880	L800-L807 HydrophobicContact CB-CD1 4.37Å; L800-L807 HydrophobicContact CD2-CD1 3.97Å; D804-L807 HydrophobicContact CB-CD1 3.83Å; D804-L807 HydrophobicContact CB-CG 3.77Å; D804-L807 WeakPolarHBondContact O-CB 3.36Å; D804-L807 WeakPolarHBondContact O-CG 2.97Å; D804-L807 PolarHBondContact O-N 2.92Å; D804-L807 VanDerWaalsContact O-N 3.14Å; D804-L807 WeakPolarHBondContact OD2-CG 3.4Å; L807-S880 VanDerWaalsContact CD2-OG 3.23Å; L807-S880 WeakPolarHBondContact CD2-OG 3.45Å
808	K	92.6	Very high	88.7	Confident	11 Å²	11	43.7 Å²	43.7	5%	0.048	22%	0.224	C	C	.	.			trans	-111.7	135.6	170.9	-64.9	-169.3	167.8	-174.6	0	111.4	F852 S854 S859 P860 R861 A878 A879 S880 R881	K808-F852 HydrophobicContact CB-CE2 4.07Å; K808-F852 HydrophobicContact CB-CZ 3.85Å; K808-F852 HydrophobicContact CD-CD2 4.48Å; K808-F852 HydrophobicContact CD-CE2 4.14Å; K808-F852 HydrophobicContact CD-CZ 4.35Å; K808-F852 WeakPolarHBondContact CD-O 3.5Å; K808-F852 HydrophobicContact CG-CE2 4.46Å; K808-F852 PolarHBondContact NZ-O 2.66Å; K808-S854 PolarHBondContact NZ-O 3.37Å; K808-S859 WeakPolarHBondContact CE-OG 3.27Å; K808-S859 PolarHBondContact NZ-OG 2.7Å; K808-P860 WeakPolarHBondContact CE-O 3.45Å; K808-R861 CarbonylContact C-O 3.59Å; K808-R861 WeakPolarHBondContact CA-O 2.97Å; K808-A878 HydrophobicContact CD-CB 4.33Å; K808-A879 WeakPolarHBondContact O-CA 3.5Å; K808-S880 PolarHBondContact O-N 3.35Å; K808-S880 VanDerWaalsContact O-N 3.13Å; K808-R881 PolarHBondContact O-N 3.29Å
809	C	94.3	Very high	88.6	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.5	-171	-58.3	0	0	0	0	111.1	L797 R861 V862 M863 R881 F883	L797-C809 HydrophobicContact CD2-CB 3.98Å; C809-R861 PolarHBondContact N-O 3.44Å; C809-V862 CarbonylContact O-C 3.57Å; C809-V862 WeakPolarHBondContact O-CA 3.37Å; C809-M863 PolarHBondContact O-N 2.88Å; C809-R881 CarbonylContact C-O 3.6Å; C809-R881 WeakPolarHBondContact CA-O 3.32Å; C809-R881 HydrophobicContact CB-CB 4.35Å; C809-F883 HydrophobicContact CB-CD2 4.41Å; C809-F883 HydrophobicContact CB-CE2 4.22Å
810	L	94.8	Very high	88.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133	162.9	-55.1	-175.2	0	0	0	108.9	V812 F852 M863 L865 L876 A879 R881 V882 F883 C901	L810-V812 HydrophobicContact CB-CG2 4.29Å; L810-F852 HydrophobicContact CD2-CE1 3.69Å; L810-F852 HydrophobicContact CD2-CZ 3.74Å; L810-M863 HydrophobicContact CD2-CB 3.82Å; L810-M863 HydrophobicContact CD2-CG 4.18Å; L810-M863 HydrophobicContact CD2-SD 3.88Å; L810-L865 HydrophobicContact CD1-CD2 4.46Å; L810-L876 HydrophobicContact CD1-CB 4.36Å; L810-L876 HydrophobicContact CD1-CD1 3.91Å; L810-L876 HydrophobicContact CD2-CD1 4.26Å; L810-A879 HydrophobicContact CD1-CB 4.17Å; L810-A879 HydrophobicContact CD2-CB 3.74Å; L810-A879 HydrophobicContact CG-CB 3.56Å; L810-R881 PolarHBondContact N-O 2.93Å; L810-V882 HydrophobicContact CB-CG1 4.44Å; L810-V882 HydrophobicContact CB-CG2 4.39Å; L810-V882 HydrophobicContact CD1-CG2 4.31Å; L810-V882 WeakPolarHBondContact O-CA 3.38Å; L810-F883 PolarHBondContact O-N 3.19Å; L810-C901 HydrophobicContact CD1-CB 4.26Å
811	V	95.8	Very high	88.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.2	169.8	-178.6	0	0	0	0	107.3	L793 L822 V862 M863 L864 L865 F883 M885	L793-V811 HydrophobicContact CD1-CG1 4.35Å; L793-V811 HydrophobicContact CD1-CG2 4Å; L793-V811 HydrophobicContact CD2-CG1 3.88Å; L793-V811 HydrophobicContact CD2-CG2 4.35Å; V811-L822 HydrophobicContact CG1-CD1 3.92Å; V811-V862 HydrophobicContact CG2-CG1 3.85Å; V811-M863 PolarHBondContact N-O 2.92Å; V811-L864 HydrophobicContact CB-CD2 3.98Å; V811-L864 HydrophobicContact CG1-CD2 4.28Å; V811-L865 PolarHBondContact O-N 3.26Å; V811-F883 HydrophobicContact CG2-CB 4.39Å; V811-F883 HydrophobicContact CG2-CD2 4.3Å; V811-M885 HydrophobicContact CG1-CG 3.62Å; V811-M885 HydrophobicContact CG1-SD 3.88Å
812	V	94.1	Very high	88.6	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.4	-168.8	-170.4	0	0	0	0	110.2	L810 L865 L867 V882 F883 L884 M885	L810-V812 HydrophobicContact CB-CG2 4.29Å; V812-L865 VanDerWaalsContact CA-O 3.31Å; V812-L865 WeakPolarHBondContact CA-O 3.28Å; V812-L865 HydrophobicContact CG2-CB 4.39Å; V812-L865 HydrophobicContact CG2-CD2 4.38Å; V812-L867 HydrophobicContact CG1-CB 4.11Å; V812-L867 HydrophobicContact CG1-CD1 3.89Å; V812-V882 HydrophobicContact CG2-CG1 4.14Å; V812-F883 PolarHBondContact N-O 3.25Å; V812-L884 HydrophobicContact CB-CD2 3.69Å; V812-L884 HydrophobicContact CG1-CD2 4.17Å; V812-L884 HydrophobicContact CG2-CD2 3.96Å; V812-M885 WeakPolarHBondContact O-CB 3.38Å; V812-M885 WeakPolarHBondContact O-CG 3.49Å; V812-M885 PolarHBondContact O-N 3.01Å
813	S	91.3	Very high	88.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.6	173.5	179.2	0	0	0	0	110.6	F815 L865 S866 L867 D886	S813-F815 VanDerWaalsContact C-N 3.32Å; S813-F815 PolarHBondContact OG-N 2.79Å; S813-L865 PolarHBondContact N-O 3.23Å; S813-S866 CarbonylContact O-C 3.55Å; S813-S866 WeakPolarHBondContact O-CA 3.47Å; S813-L867 PolarHBondContact O-N 3.13Å; S813-D886 VanDerWaalsContact CA-OD2 3.31Å; S813-D886 WeakPolarHBondContact CA-OD2 3.44Å; S813-D886 WeakPolarHBondContact CB-OD2 3.19Å; S813-D886 PolarHBondContact OG-OD2 2.84Å
814	Q	85.7	Confident	88.8	Confident	21 Å²	21	28.8 Å²	28.8	10%	0.098	16%	0.16	C	C	.	.	S	Bend	trans	-75.5	-23.6	167.6	80.9	-155.2	-80.7	0	0	112.5	S711 L867 D886 P887	S711-Q814 PolarHBondContact O-OE1 3.12Å; Q814-L867 HydrophobicContact CB-CB 4.37Å; Q814-L867 HydrophobicContact CB-CD2 4.47Å; Q814-D886 WeakPolarHBondContact CB-OD1 3.18Å; Q814-D886 VanDerWaalsContact CG-OD1 3.22Å; Q814-D886 WeakPolarHBondContact CG-OD1 3.22Å; Q814-D886 PolarHBondContact N-OD1 2.87Å; Q814-D886 PolarHBondContact NE2-OD1 3Å; Q814-P887 PolarHBondContact NE2-O 2.74Å; Q814-P887 VanDerWaalsContact NE2-O 3.11Å
815	F	85.9	Confident	89.2	Confident	12 Å²	12	26.2 Å²	26.2	5%	0.053	15%	0.147	C	C	.	.			trans	-93.4	105.7	-175.7	-58.8	-64.2	0	0	0	110.9	M669 R672 Q673 A710 S813 R817 F818 L819	M669-F815 HydrophobicContact CG-CE1 4.25Å; R672-F815 HydrophobicContact CB-CE2 4.48Å; R672-F815 HydrophobicContact CB-CZ 4.23Å; Q673-F815 HydrophobicContact CG-CE1 4.49Å; A710-F815 WeakPolarHBondContact O-CE1 3.24Å; S813-F815 VanDerWaalsContact C-N 3.32Å; S813-F815 PolarHBondContact OG-N 2.79Å; F815-R817 VanDerWaalsContact C-N 3.28Å; F815-R817 PolarHBondContact O-N 2.91Å; F815-F818 HydrophobicContact CB-CB 3.8Å; F815-F818 WeakPolarHBondContact O-CA 3.4Å; F815-F818 WeakPolarHBondContact O-CB 3.28Å; F815-F818 PolarHBondContact O-N 3.31Å; F815-L819 PolarHBondContact O-N 3.37Å
816	T	84.4	Confident	89.8	Confident	40 Å²	40	21 Å²	21	25%	0.245	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-35.8	177.8	47.2	0	0	0	0	113	F818 L819 T820 D837	T816-F818 VanDerWaalsContact C-N 3.28Å; T816-F818 PolarHBondContact O-N 2.86Å; T816-L819 WeakPolarHBondContact O-CB 3.14Å; T816-L819 PolarHBondContact O-N 3.29Å; T816-T820 PolarHBondContact O-N 3.45Å; T816-T820 VanDerWaalsContact O-N 3.07Å; T816-T820 PolarHBondContact O-OG1 3.09Å; T816-D837 HydrophobicContact CG2-CB 4.38Å
817	R	84	Confident	90.2	Very high	125 Å²	125	26.4 Å²	26.4	47%	0.472	13%	0.126	S	C	.	.	H	α-helix	trans	-62.1	-32.9	170.8	-73.3	-174.3	65.7	143.3	0.6	112.7	L680 F815 L819 T820 V821	L680-R817 HydrophobicContact CD2-CB 3.6Å; F815-R817 VanDerWaalsContact C-N 3.28Å; F815-R817 PolarHBondContact O-N 2.91Å; R817-L819 VanDerWaalsContact C-N 3.34Å; R817-T820 WeakPolarHBondContact O-CB 3.39Å; R817-T820 PolarHBondContact O-N 3.23Å; R817-T820 VanDerWaalsContact O-N 3.13Å; R817-V821 WeakPolarHBondContact O-CG2 3.36Å; R817-V821 PolarHBondContact O-N 3.25Å
818	F	89.2	Confident	90.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.4	-33.3	176.5	-166.3	-155.3	0	0	0	111.3	C676 H677 L680 K789 V790 F815 T816 T820 V821 L822 M885	C676-F818 HydrophobicContact CB-CD1 3.82Å; C676-F818 HydrophobicContact CB-CE1 3.64Å; C676-F818 HydrophobicContact CB-CE2 4.42Å; C676-F818 HydrophobicContact CB-CG 4.28Å; C676-F818 HydrophobicContact CB-CZ 3.98Å; C676-F818 WeakPolarHBondContact O-CZ 3.39Å; H677-F818 HydrophobicContact CB-CD2 4.08Å; H677-F818 HydrophobicContact CB-CE2 3.88Å; L680-F818 HydrophobicContact CD1-CB 4.08Å; L680-F818 HydrophobicContact CD1-CD2 4.33Å; L680-F818 HydrophobicContact CD1-CG 4.2Å; L680-F818 HydrophobicContact CD2-CB 4.03Å; K789-F818 HydrophobicContact CB-CZ 4.37Å; V790-F818 HydrophobicContact CG2-CE2 3.93Å; V790-F818 HydrophobicContact CG2-CZ 4.34Å; F815-F818 HydrophobicContact CB-CB 3.8Å; F815-F818 WeakPolarHBondContact O-CA 3.4Å; F815-F818 WeakPolarHBondContact O-CB 3.28Å; F815-F818 PolarHBondContact O-N 3.31Å; T816-F818 VanDerWaalsContact C-N 3.28Å; T816-F818 PolarHBondContact O-N 2.86Å; F818-T820 VanDerWaalsContact C-N 3.3Å; F818-T820 PolarHBondContact O-N 2.86Å; F818-V821 HydrophobicContact CD2-CB 4.02Å; F818-V821 HydrophobicContact CD2-CG1 3.49Å; F818-V821 VanDerWaalsContact CD2-CG1 3.49Å; F818-V821 HydrophobicContact CE2-CG1 3.74Å; F818-V821 WeakPolarHBondContact O-CB 3.17Å; F818-V821 PolarHBondContact O-N 2.96Å; F818-L822 HydrophobicContact CD2-CG 4.39Å; F818-L822 HydrophobicContact CE2-CG 4.32Å; F818-L822 VanDerWaalsContact O-CG 3.27Å; F818-L822 WeakPolarHBondContact O-CG 3.27Å; F818-L822 PolarHBondContact O-N 3.27Å; F818-M885 HydrophobicContact CD1-CB 4.29Å; F818-M885 HydrophobicContact CE1-CB 3.86Å; F818-M885 HydrophobicContact CE1-CE 3.99Å; F818-M885 HydrophobicContact CE1-CG 4.49Å; F818-M885 HydrophobicContact CZ-CE 3.93Å
819	L	90	Very high	90.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-29.6	168.3	-57.4	179.9	0	0	0	112.6	F815 T816 R817 L822 Q823 L864	F815-L819 PolarHBondContact O-N 3.37Å; T816-L819 WeakPolarHBondContact O-CB 3.14Å; T816-L819 PolarHBondContact O-N 3.29Å; R817-L819 VanDerWaalsContact C-N 3.34Å; L819-L822 HydrophobicContact CD2-CD1 4.35Å; L819-Q823 WeakPolarHBondContact O-CG 3.45Å; L819-L864 HydrophobicContact CD2-CB 4.26Å; L819-L864 WeakPolarHBondContact O-CD1 3.38Å
820	T	88.8	Confident	89.8	Confident	72 Å²	72	37.3 Å²	37.3	44%	0.442	19%	0.191	S	C	.	.	H	α-helix	trans	-67.1	-50.7	169.3	-52.7	0	0	0	0	110.9	T816 R817 F818 L822 Q823 R835	T816-T820 PolarHBondContact O-N 3.45Å; T816-T820 VanDerWaalsContact O-N 3.07Å; T816-T820 PolarHBondContact O-OG1 3.09Å; R817-T820 WeakPolarHBondContact O-CB 3.39Å; R817-T820 PolarHBondContact O-N 3.23Å; R817-T820 VanDerWaalsContact O-N 3.13Å; F818-T820 VanDerWaalsContact C-N 3.3Å; F818-T820 PolarHBondContact O-N 2.86Å; T820-L822 VanDerWaalsContact C-N 3.26Å; T820-L822 PolarHBondContact O-N 3.37Å; T820-Q823 WeakPolarHBondContact O-CB 3.36Å; T820-Q823 PolarHBondContact O-N 3.41Å; T820-R835 PolarHBondContact OG1-NH1 3.15Å
821	V	88.9	Confident	89.5	Confident	13 Å²	13	38.3 Å²	38.3	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-48.5	-45.5	175.3	149	0	0	0	0	111.9	H677 L680 W784 V790 R817 F818 Q823 P825	H677-V821 HydrophobicContact CB-CG1 4.18Å; L680-V821 HydrophobicContact CD2-CG2 4.38Å; W784-V821 HydrophobicContact CH2-CB 3.68Å; W784-V821 HydrophobicContact CH2-CG1 3.52Å; W784-V821 HydrophobicContact CH2-CG2 3.78Å; W784-V821 WeakPolarHBondContact CH2-O 3.2Å; W784-V821 HydrophobicContact CZ2-CB 4.39Å; W784-V821 HydrophobicContact CZ2-CG1 3.85Å; W784-V821 WeakPolarHBondContact CZ2-O 3.31Å; W784-V821 HydrophobicContact CZ3-CG2 4.36Å; V790-V821 HydrophobicContact CG2-CG1 4.48Å; R817-V821 WeakPolarHBondContact O-CG2 3.36Å; R817-V821 PolarHBondContact O-N 3.25Å; F818-V821 HydrophobicContact CD2-CB 4.02Å; F818-V821 HydrophobicContact CD2-CG1 3.49Å; F818-V821 VanDerWaalsContact CD2-CG1 3.49Å; F818-V821 HydrophobicContact CE2-CG1 3.74Å; F818-V821 WeakPolarHBondContact O-CB 3.17Å; F818-V821 PolarHBondContact O-N 2.96Å; V821-Q823 PolarHBondContact O-N 2.74Å; V821-P825 VanDerWaalsContact O-CD 3.31Å; V821-P825 WeakPolarHBondContact O-CD 3.44Å
822	L	91.3	Very high	89.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.4	-178.7	-74.2	168.8	0	0	0	115	V790 L793 V811 F818 L819 T820 P825 L826 L864 M885	V790-L822 HydrophobicContact CG2-CD2 3.88Å; L793-L822 HydrophobicContact CD2-CD1 4.39Å; L793-L822 HydrophobicContact CD2-CD2 3.6Å; V811-L822 HydrophobicContact CG1-CD1 3.92Å; F818-L822 HydrophobicContact CD2-CG 4.39Å; F818-L822 HydrophobicContact CE2-CG 4.32Å; F818-L822 VanDerWaalsContact O-CG 3.27Å; F818-L822 WeakPolarHBondContact O-CG 3.27Å; F818-L822 PolarHBondContact O-N 3.27Å; L819-L822 HydrophobicContact CD2-CD1 4.35Å; T820-L822 VanDerWaalsContact C-N 3.26Å; T820-L822 PolarHBondContact O-N 3.37Å; L822-P825 WeakPolarHBondContact O-CD 3.45Å; L822-L826 WeakPolarHBondContact O-CB 3.47Å; L822-L826 WeakPolarHBondContact O-CD1 3.34Å; L822-L826 WeakPolarHBondContact O-CG 3.31Å; L822-L826 PolarHBondContact O-N 3.49Å; L822-L864 HydrophobicContact CB-CD2 4.36Å; L822-M885 HydrophobicContact CD1-CG 4.38Å
823	Q	91	Very high	89.2	Confident	29 Å²	29	42.5 Å²	42.5	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-68.9	-39.7	-179.5	-65.8	-172.1	57.1	0	0	112.6	L819 T820 V821 L826 R827 F833 L864	L819-Q823 WeakPolarHBondContact O-CG 3.45Å; T820-Q823 WeakPolarHBondContact O-CB 3.36Å; T820-Q823 PolarHBondContact O-N 3.41Å; V821-Q823 PolarHBondContact O-N 2.74Å; Q823-L826 PolarHBondContact O-N 2.96Å; Q823-R827 WeakPolarHBondContact O-CG 3.49Å; Q823-R827 PolarHBondContact O-N 2.81Å; Q823-F833 HydrophobicContact CB-CE2 4.16Å; Q823-F833 HydrophobicContact CB-CZ 3.72Å; Q823-F833 HydrophobicContact CG-CE2 3.62Å; Q823-F833 HydrophobicContact CG-CZ 3.73Å; Q823-L864 HydrophobicContact CG-CD1 3.73Å
824	T	89.9	Confident	89.3	Confident	54 Å²	54	43.1 Å²	43.1	33%	0.331	22%	0.224	S	C	.	.	H	α-helix	trans	-57.1	-59	-178.8	-50.3	0	0	0	0	112.2	W784 L826 R827 E828	W784-T824 HydrophobicContact CD2-CG2 4.16Å; W784-T824 HydrophobicContact CG-CG2 3.95Å; T824-L826 VanDerWaalsContact C-N 3.28Å; T824-L826 PolarHBondContact O-N 3.48Å; T824-R827 PolarHBondContact O-N 3Å; T824-R827 VanDerWaalsContact O-N 3.16Å; T824-E828 WeakPolarHBondContact O-CG 3.22Å; T824-E828 PolarHBondContact O-N 2.79Å
825	P	91.6	Very high	89.5	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-29.7	180	27	-36.2	0	0	0	113.1	V790 M794 V821 L822 H829	V790-P825 HydrophobicContact CG1-CB 4.16Å; V790-P825 HydrophobicContact CG1-CG 3.79Å; M794-P825 HydrophobicContact CE-CB 4.45Å; M794-P825 WeakPolarHBondContact CE-O 3.35Å; M794-P825 HydrophobicContact CG-CB 4.27Å; M794-P825 HydrophobicContact SD-CB 4.26Å; V821-P825 VanDerWaalsContact O-CD 3.31Å; V821-P825 WeakPolarHBondContact O-CD 3.44Å; L822-P825 WeakPolarHBondContact O-CD 3.45Å; P825-H829 PolarHBondContact O-N 2.82Å; P825-H829 VanDerWaalsContact O-N 3.13Å; P825-H829 PolarHBondContact O-ND1 3.21Å
826	L	91.7	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-41.8	174.4	-73.4	173.8	0	0	0	112.1	M794 L797 L822 Q823 T824 G830 F831 F833 V862 L864	M794-L826 HydrophobicContact CE-CD2 4.4Å; M794-L826 HydrophobicContact SD-CD2 3.92Å; M794-L826 HydrophobicContact SD-CG 4.43Å; L797-L826 HydrophobicContact CD1-CD2 3.75Å; L822-L826 WeakPolarHBondContact O-CB 3.47Å; L822-L826 WeakPolarHBondContact O-CD1 3.34Å; L822-L826 WeakPolarHBondContact O-CG 3.31Å; L822-L826 PolarHBondContact O-N 3.49Å; Q823-L826 PolarHBondContact O-N 2.96Å; T824-L826 VanDerWaalsContact C-N 3.28Å; T824-L826 PolarHBondContact O-N 3.48Å; L826-G830 PolarHBondContact O-N 2.89Å; L826-F831 HydrophobicContact CB-CB 4.31Å; L826-F831 HydrophobicContact CD2-CB 3.96Å; L826-F831 HydrophobicContact CD2-CD2 3.75Å; L826-F831 HydrophobicContact CD2-CE2 4.47Å; L826-F831 HydrophobicContact CD2-CG 3.89Å; L826-F831 PolarHBondContact O-N 3.42Å; L826-F833 HydrophobicContact CB-CD1 3.74Å; L826-F833 HydrophobicContact CB-CE1 3.75Å; L826-F833 HydrophobicContact CD1-CD1 4.15Å; L826-F833 HydrophobicContact CD1-CG 4.28Å; L826-V862 HydrophobicContact CD1-CG1 4.12Å; L826-V862 HydrophobicContact CD2-CG2 4.48Å; L826-L864 HydrophobicContact CD1-CD1 4.38Å; L826-L864 HydrophobicContact CD1-CD2 3.84Å; L826-L864 HydrophobicContact CD1-CG 4.39Å
827	R	91.4	Very high	89.3	Confident	145 Å²	145	42.4 Å²	42.4	55%	0.547	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-46.4	174.4	-69.5	-178.9	-168	179.7	7.5	110.9	E776 Q823 T824 H829 G830 F833	E776-R827 IonicContact OE1-NH2 3.59Å; Q823-R827 WeakPolarHBondContact O-CG 3.49Å; Q823-R827 PolarHBondContact O-N 2.81Å; T824-R827 PolarHBondContact O-N 3Å; T824-R827 VanDerWaalsContact O-N 3.16Å; R827-H829 VanDerWaalsContact C-N 3.28Å; R827-H829 PolarHBondContact O-N 3.3Å; R827-G830 PolarHBondContact O-N 3.5Å; R827-F833 HydrophobicContact CG-CE1 3.69Å; R827-F833 HydrophobicContact CG-CZ 3.97Å
828	E	88.8	Confident	88.5	Confident	128 Å²	128	39.8 Å²	39.8	60%	0.598	23%	0.227	S	C	*	.	H	α-helix	trans	-57.2	-38.1	178.5	-72.2	172.7	165.3	0	0	113	T824 G830	T824-E828 WeakPolarHBondContact O-CG 3.22Å; T824-E828 PolarHBondContact O-N 2.79Å; E828-G830 VanDerWaalsContact C-N 3.33Å
829	H	88.3	Confident	87.4	Confident	79 Å²	79	44.4 Å²	44.4	37%	0.366	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.2	178.2	-64.4	74.1	0	0	0	113.4	M794 R801 P825 R827 F831	M794-H829 HydrophobicContact CE-CB 3.63Å; M794-H829 VanDerWaalsContact CE-CG 3.47Å; M794-H829 WeakPolarHBondContact CE-ND1 3.23Å; R801-H829 PolarHBondContact NH1-O 3.45Å; R801-H829 PolarHBondContact NH2-O 2.72Å; P825-H829 PolarHBondContact O-N 2.82Å; P825-H829 VanDerWaalsContact O-N 3.13Å; P825-H829 PolarHBondContact O-ND1 3.21Å; R827-H829 VanDerWaalsContact C-N 3.28Å; R827-H829 PolarHBondContact O-N 3.3Å; H829-F831 HydrophobicContact CB-CD2 3.96Å; H829-F831 HydrophobicContact CB-CE2 3.94Å; H829-F831 PolarHBondContact O-N 2.9Å
830	G	87.9	Confident	86.3	Confident	59 Å²	59	46.4 Å²	46.4	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	32.6	174.5	0	0	0	0	0	115.1	L826 R827 E828	L826-G830 PolarHBondContact O-N 2.89Å; R827-G830 PolarHBondContact O-N 3.5Å; E828-G830 VanDerWaalsContact C-N 3.33Å
831	F	89.5	Confident	85.3	Confident	21 Å²	21	46.6 Å²	46.6	9%	0.092	27%	0.27	C	S	.	.			trans	-79.3	129.2	171.2	-75.5	-83.7	0	0	0	110.8	M794 L797 L798 L826 H829 F833 V862	M794-F831 HydrophobicContact CE-CD2 4.06Å; M794-F831 HydrophobicContact CE-CE2 3.76Å; L797-F831 HydrophobicContact CB-CE1 4.11Å; L797-F831 HydrophobicContact CB-CE2 4.28Å; L797-F831 HydrophobicContact CB-CZ 3.65Å; L798-F831 HydrophobicContact CD2-CE2 4.12Å; L798-F831 HydrophobicContact CD2-CZ 4.19Å; L826-F831 HydrophobicContact CB-CB 4.31Å; L826-F831 HydrophobicContact CD2-CB 3.96Å; L826-F831 HydrophobicContact CD2-CD2 3.75Å; L826-F831 HydrophobicContact CD2-CE2 4.47Å; L826-F831 HydrophobicContact CD2-CG 3.89Å; L826-F831 PolarHBondContact O-N 3.42Å; H829-F831 HydrophobicContact CB-CD2 3.96Å; H829-F831 HydrophobicContact CB-CE2 3.94Å; H829-F831 PolarHBondContact O-N 2.9Å; F831-F833 WeakPolarHBondContact O-CD1 3.32Å; F831-V862 HydrophobicContact CB-CG2 4.48Å; F831-V862 HydrophobicContact CD1-CG2 3.85Å; F831-V862 HydrophobicContact CG-CG2 4.37Å
832	S	90.1	Very high	84	Confident	51 Å²	51	51 Å²	51	36%	0.357	29%	0.29	S	S	.	.			trans	-74.2	124.5	162.5	57.3	0	0	0	0	109.5	R861 V862	S832-R861 PolarHBondContact O-N 2.91Å; S832-R861 PolarHBondContact OG-N 3.42Å; S832-V862 PolarHBondContact O-N 3.25Å; S832-V862 VanDerWaalsContact O-N 3.17Å
833	F	93.3	Very high	82.9	Confident	40 Å²	40	59.6 Å²	59.6	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.6	-178.7	70.1	-96.4	0	0	0	113.8	Q823 L826 R827 F831 V862 L864	Q823-F833 HydrophobicContact CB-CE2 4.16Å; Q823-F833 HydrophobicContact CB-CZ 3.72Å; Q823-F833 HydrophobicContact CG-CE2 3.62Å; Q823-F833 HydrophobicContact CG-CZ 3.73Å; L826-F833 HydrophobicContact CB-CD1 3.74Å; L826-F833 HydrophobicContact CB-CE1 3.75Å; L826-F833 HydrophobicContact CD1-CD1 4.15Å; L826-F833 HydrophobicContact CD1-CG 4.28Å; R827-F833 HydrophobicContact CG-CE1 3.69Å; R827-F833 HydrophobicContact CG-CZ 3.97Å; F831-F833 WeakPolarHBondContact O-CD1 3.32Å; F833-V862 WeakPolarHBondContact CA-O 3.24Å; F833-V862 HydrophobicContact CB-CB 3.88Å; F833-V862 HydrophobicContact CB-CG1 4.34Å; F833-V862 VanDerWaalsContact CB-O 3.27Å; F833-V862 WeakPolarHBondContact CB-O 3.42Å; F833-L864 HydrophobicContact CD2-CD1 3.99Å; F833-L864 HydrophobicContact CD2-CG 4.38Å; F833-L864 HydrophobicContact CE2-CD1 4.12Å
834	V	93	Very high	82.2	Confident	12 Å²	12	63.7 Å²	63.7	7%	0.073	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	158.2	170.9	-73.6	0	0	0	0	110.7	I848 F852 P860 V862 M863 L864	V834-I848 HydrophobicContact CB-CG2 3.78Å; V834-I848 HydrophobicContact CG1-CG2 4.32Å; V834-I848 HydrophobicContact CG2-CG2 3.85Å; V834-F852 HydrophobicContact CG2-CB 4.12Å; V834-F852 HydrophobicContact CG2-CD2 4.22Å; V834-F852 HydrophobicContact CG2-CG 4.46Å; V834-P860 HydrophobicContact CB-CG 4.43Å; V834-P860 HydrophobicContact CG1-CB 4Å; V834-P860 HydrophobicContact CG1-CG 3.72Å; V834-P860 HydrophobicContact CG2-CB 4.11Å; V834-P860 HydrophobicContact CG2-CG 3.9Å; V834-V862 PolarHBondContact N-O 3.26Å; V834-V862 VanDerWaalsContact N-O 3.07Å; V834-M863 HydrophobicContact CG2-CB 4.22Å; V834-M863 HydrophobicContact CG2-CG 4.15Å; V834-M863 CarbonylContact O-C 3.57Å; V834-M863 WeakPolarHBondContact O-CA 3.21Å; V834-L864 PolarHBondContact O-N 3.33Å
835	R	90.8	Very high	81.5	Confident	55 Å²	55	63.2 Å²	63.2	21%	0.208	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.9	178.2	175.1	175.2	167.9	156.5	-3.1	110.4	T820 D837 L864	T820-R835 PolarHBondContact OG1-NH1 3.15Å; R835-D837 IonicContact CZ-OD2 3.67Å; R835-D837 IonicContact NE-OD2 2.65Å; R835-D837 PolarHBondContact NE-OD2 3.44Å; R835-D837 IonicContact NH2-OD2 3.34Å; R835-D837 PolarHBondContact NH2-OD2 2.9Å; R835-L864 CarbonylContact C-O 3.44Å; R835-L864 WeakPolarHBondContact CA-O 3.32Å; R835-L864 HydrophobicContact CB-CB 4.26Å; R835-L864 HydrophobicContact CG-CB 4.4Å
836	L	85.6	Confident	80.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	113.8	173.8	-164.5	166.3	0	0	0	110.1	R845 I849 M863 L864 L865 S866 A869 L874	L836-R845 HydrophobicContact CD1-CG 3.98Å; L836-R845 HydrophobicContact CD2-CG 4.45Å; L836-R845 HydrophobicContact CG-CG 4.22Å; L836-I849 HydrophobicContact CD1-CD1 4.07Å; L836-I849 HydrophobicContact CD1-CG1 3.77Å; L836-M863 HydrophobicContact CB-CE 3.48Å; L836-M863 VanDerWaalsContact CB-CE 3.48Å; L836-M863 HydrophobicContact CD1-CE 3.35Å; L836-M863 HydrophobicContact CG-CE 4.03Å; L836-L864 PolarHBondContact N-O 3.27Å; L836-L865 HydrophobicContact CB-CD1 4.23Å; L836-L865 HydrophobicContact CD2-CD1 3.94Å; L836-L865 WeakPolarHBondContact O-CA 3.47Å; L836-S866 PolarHBondContact O-N 3.36Å; L836-S866 VanDerWaalsContact O-N 3.08Å; L836-A869 HydrophobicContact CD2-CB 3.68Å; L836-L874 HydrophobicContact CD1-CD1 4.07Å; L836-L874 HydrophobicContact CD2-CD1 4.36Å
837	D	80.1	Confident	80.3	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.021	37%	0.372	C	S	.	.			trans	-134.6	-161.9	175.5	63.7	29.4	0	0	0	111.8	T816 R835 T839 M840	T816-D837 HydrophobicContact CG2-CB 4.38Å; R835-D837 IonicContact CZ-OD2 3.67Å; R835-D837 IonicContact NE-OD2 2.65Å; R835-D837 PolarHBondContact NE-OD2 3.44Å; R835-D837 IonicContact NH2-OD2 3.34Å; R835-D837 PolarHBondContact NH2-OD2 2.9Å; D837-T839 PolarHBondContact OD1-N 3.4Å; D837-T839 PolarHBondContact OD1-OG1 3.38Å; D837-M840 WeakPolarHBondContact OD1-CG 3.45Å
838	G	68.2	Low	80.1	Confident	69 Å²	69	64.2 Å²	64.2	71%	0.711	35%	0.35	S	S	*	.	S	Bend	trans	-86.7	-10.4	-175.4	0	0	0	0	0	115.6
839	T	64.8	Low	79.9	Confident	98 Å²	98	59.3 Å²	59.3	60%	0.601	33%	0.328	S	S	*	.	S	Bend	trans	-91.4	-10.8	-176.8	64.1	0	0	0	0	112.6	D837	D837-T839 PolarHBondContact OD1-N 3.4Å; D837-T839 PolarHBondContact OD1-OG1 3.38Å
840	M	66.5	Low	79.7	Confident	42 Å²	42	61.7 Å²	61.7	21%	0.207	34%	0.339	C	S	.	.	S	Bend	trans	-74.7	140.2	-175.8	-47.6	-161.9	82.4	0	0	113.4	D837 K844 I848	D837-M840 WeakPolarHBondContact OD1-CG 3.45Å; M840-K844 HydrophobicContact CE-CD 3.77Å; M840-K844 HydrophobicContact CE-CG 3.99Å; M840-I848 HydrophobicContact CE-CD1 3.36Å; M840-I848 HydrophobicContact SD-CD1 4.06Å
841	S	68.1	Low	79.8	Confident	75 Å²	75	62.9 Å²	62.9	52%	0.524	33%	0.329	S	S	.	.			trans	-65.6	148.6	170.9	72.4	0	0	0	0	111.9	K843 K844 R845	S841-K843 VanDerWaalsContact C-N 3.28Å; S841-K843 PolarHBondContact O-N 3.49Å; S841-K844 PolarHBondContact O-N 2.79Å; S841-K844 VanDerWaalsContact O-N 3.13Å; S841-R845 WeakPolarHBondContact O-CB 3.36Å; S841-R845 PolarHBondContact O-N 3.37Å
842	Q	61.6	Low	79.9	Confident	107 Å²	107	61.9 Å²	61.9	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-56.6	-39.8	-176.1	-168.6	173.4	24.8	0	0	112.8	S449 R845 T846	S449-Q842 PolarHBondContact OG-NE2 3.29Å; S449-Q842 VanDerWaalsContact OG-NE2 3.16Å; Q842-R845 WeakPolarHBondContact O-CB 3.42Å; Q842-R845 PolarHBondContact O-N 3.29Å; Q842-T846 PolarHBondContact O-N 3.01Å; Q842-T846 PolarHBondContact O-OG1 3.45Å; Q842-T846 VanDerWaalsContact O-OG1 3.12Å
843	K	69.1	Low	79.7	Confident	179 Å²	179	62.5 Å²	62.5	78%	0.778	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-45.7	177.2	-169.3	177.3	-178.3	-179.1	0	112.2	S841 R845 T846 Q847	S841-K843 VanDerWaalsContact C-N 3.28Å; S841-K843 PolarHBondContact O-N 3.49Å; K843-R845 VanDerWaalsContact C-N 3.35Å; K843-T846 PolarHBondContact O-N 3.29Å; K843-Q847 PolarHBondContact O-N 3.46Å; K843-Q847 VanDerWaalsContact O-N 3.16Å
844	K	74.9	Confident	79.4	Confident	115 Å²	115	63 Å²	63	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-36.6	178.1	-167.5	174.5	-179.6	178.1	0	111.4	M840 S841 Q847 I848	M840-K844 HydrophobicContact CE-CD 3.77Å; M840-K844 HydrophobicContact CE-CG 3.99Å; S841-K844 PolarHBondContact O-N 2.79Å; S841-K844 VanDerWaalsContact O-N 3.13Å; K844-Q847 PolarHBondContact O-N 3.07Å; K844-I848 HydrophobicContact CG-CD1 4.04Å; K844-I848 WeakPolarHBondContact O-CG1 3.31Å; K844-I848 PolarHBondContact O-N 3.36Å
845	R	75.8	Confident	78.9	Confident	44 Å²	44	68.3 Å²	68.3	17%	0.166	37%	0.367	C	S	.	.	H	α-helix	trans	-58.6	-48.5	173.5	-173.5	-173.2	-180	106.9	8.9	111.7	L836 S841 Q842 K843 I848 I849 A869 L874	L836-R845 HydrophobicContact CD1-CG 3.98Å; L836-R845 HydrophobicContact CD2-CG 4.45Å; L836-R845 HydrophobicContact CG-CG 4.22Å; S841-R845 WeakPolarHBondContact O-CB 3.36Å; S841-R845 PolarHBondContact O-N 3.37Å; Q842-R845 WeakPolarHBondContact O-CB 3.42Å; Q842-R845 PolarHBondContact O-N 3.29Å; K843-R845 VanDerWaalsContact C-N 3.35Å; R845-I848 PolarHBondContact O-N 2.89Å; R845-I849 HydrophobicContact CG-CD1 4.06Å; R845-I849 WeakPolarHBondContact O-CD1 3.46Å; R845-I849 VanDerWaalsContact O-CG1 3.27Å; R845-I849 WeakPolarHBondContact O-CG1 3.32Å; R845-I849 PolarHBondContact O-N 3.46Å; R845-I849 VanDerWaalsContact O-N 3.17Å; R845-A869 PolarHBondContact NH2-O 3.45Å; R845-L874 VanDerWaalsContact NH2-CD2 3.3Å
846	T	76.4	Confident	78.5	Confident	38 Å²	38	67.5 Å²	67.5	23%	0.233	37%	0.373	C	S	.	.	H	α-helix	trans	-63.3	-44.7	179	-55.1	0	0	0	0	111.9	Q842 K843 I848 I849 Q850	Q842-T846 PolarHBondContact O-N 3.01Å; Q842-T846 PolarHBondContact O-OG1 3.45Å; Q842-T846 VanDerWaalsContact O-OG1 3.12Å; K843-T846 PolarHBondContact O-N 3.29Å; T846-I848 PolarHBondContact O-N 3.1Å; T846-I849 PolarHBondContact O-N 3.5Å; T846-Q850 WeakPolarHBondContact O-CG 3.33Å; T846-Q850 PolarHBondContact O-N 3.29Å; T846-Q850 VanDerWaalsContact O-N 3.08Å
847	Q	82	Confident	78	Confident	117 Å²	117	71.9 Å²	71.9	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-56.2	-48.7	176.3	-178.2	179.7	-2	0	0	112	K843 K844 I849 Q850 E851	K843-Q847 PolarHBondContact O-N 3.46Å; K843-Q847 VanDerWaalsContact O-N 3.16Å; K844-Q847 PolarHBondContact O-N 3.07Å; Q847-I849 VanDerWaalsContact C-N 3.32Å; Q847-I849 PolarHBondContact O-N 3.09Å; Q847-Q850 PolarHBondContact O-N 3.05Å; Q847-E851 WeakPolarHBondContact O-CB 3.33Å; Q847-E851 PolarHBondContact O-N 3.3Å
848	I	86.6	Confident	78	Confident	15 Å²	15	78.1 Å²	78.1	8%	0.077	44%	0.442	C	S	.	.	H	α-helix	trans	-64	-35.6	-179.6	-74.5	168.9	0	0	0	112.4	V834 M840 K844 R845 T846 F852 M863	V834-I848 HydrophobicContact CB-CG2 3.78Å; V834-I848 HydrophobicContact CG1-CG2 4.32Å; V834-I848 HydrophobicContact CG2-CG2 3.85Å; M840-I848 HydrophobicContact CE-CD1 3.36Å; M840-I848 HydrophobicContact SD-CD1 4.06Å; K844-I848 HydrophobicContact CG-CD1 4.04Å; K844-I848 WeakPolarHBondContact O-CG1 3.31Å; K844-I848 PolarHBondContact O-N 3.36Å; R845-I848 PolarHBondContact O-N 2.89Å; T846-I848 PolarHBondContact O-N 3.1Å; I848-F852 VanDerWaalsContact O-CB 3.32Å; I848-F852 WeakPolarHBondContact O-CB 3.49Å; I848-F852 PolarHBondContact O-N 3.06Å; I848-M863 HydrophobicContact CG2-CE 4.47Å
849	I	85.6	Confident	78.9	Confident	26 Å²	26	75 Å²	75	13%	0.133	41%	0.409	C	S	.	.	H	α-helix	trans	-67.2	-42.1	176.1	-65.2	158.1	0	0	0	110.5	L836 R845 T846 Q847 F852 Q853 L874	L836-I849 HydrophobicContact CD1-CD1 4.07Å; L836-I849 HydrophobicContact CD1-CG1 3.77Å; R845-I849 HydrophobicContact CG-CD1 4.06Å; R845-I849 WeakPolarHBondContact O-CD1 3.46Å; R845-I849 VanDerWaalsContact O-CG1 3.27Å; R845-I849 WeakPolarHBondContact O-CG1 3.32Å; R845-I849 PolarHBondContact O-N 3.46Å; R845-I849 VanDerWaalsContact O-N 3.17Å; T846-I849 PolarHBondContact O-N 3.5Å; Q847-I849 VanDerWaalsContact C-N 3.32Å; Q847-I849 PolarHBondContact O-N 3.09Å; I849-F852 PolarHBondContact O-N 2.82Å; I849-Q853 WeakPolarHBondContact O-CB 3.4Å; I849-Q853 WeakPolarHBondContact O-CG 3.3Å; I849-Q853 PolarHBondContact O-N 3.47Å; I849-L874 HydrophobicContact CD1-CD2 3.51Å; I849-L874 HydrophobicContact CG1-CD2 4.45Å
850	Q	84.8	Confident	80.1	Confident	128 Å²	128	70.5 Å²	70.5	60%	0.598	38%	0.382	S	S	*	.	H	α-helix	trans	-65.1	-45.3	176.7	-70.5	173.2	-18.4	0	0	111.5	T846 Q847 F852 Q853 S854	T846-Q850 WeakPolarHBondContact O-CG 3.33Å; T846-Q850 PolarHBondContact O-N 3.29Å; T846-Q850 VanDerWaalsContact O-N 3.08Å; Q847-Q850 PolarHBondContact O-N 3.05Å; Q850-F852 PolarHBondContact O-N 3.48Å; Q850-Q853 PolarHBondContact O-N 3.21Å; Q850-S854 PolarHBondContact O-N 3.11Å
851	E	89.4	Confident	81.2	Confident	85 Å²	85	71.2 Å²	71.2	40%	0.397	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-46.4	175.6	-169.1	-171.2	149.2	0	0	111.6	Q847 S854 P860	Q847-E851 WeakPolarHBondContact O-CB 3.33Å; Q847-E851 PolarHBondContact O-N 3.3Å; E851-S854 WeakPolarHBondContact O-CB 3.46Å; E851-S854 PolarHBondContact O-N 2.83Å; E851-P860 HydrophobicContact CG-CG 4.13Å
852	F	90.5	Very high	82.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-31.9	177.3	-176.8	-106.1	0	0	0	113.8	K808 L810 V834 I848 I849 Q850 P860 M863 L876 A879	K808-F852 HydrophobicContact CB-CE2 4.07Å; K808-F852 HydrophobicContact CB-CZ 3.85Å; K808-F852 HydrophobicContact CD-CD2 4.48Å; K808-F852 HydrophobicContact CD-CE2 4.14Å; K808-F852 HydrophobicContact CD-CZ 4.35Å; K808-F852 WeakPolarHBondContact CD-O 3.5Å; K808-F852 HydrophobicContact CG-CE2 4.46Å; K808-F852 PolarHBondContact NZ-O 2.66Å; L810-F852 HydrophobicContact CD2-CE1 3.69Å; L810-F852 HydrophobicContact CD2-CZ 3.74Å; V834-F852 HydrophobicContact CG2-CB 4.12Å; V834-F852 HydrophobicContact CG2-CD2 4.22Å; V834-F852 HydrophobicContact CG2-CG 4.46Å; I848-F852 VanDerWaalsContact O-CB 3.32Å; I848-F852 WeakPolarHBondContact O-CB 3.49Å; I848-F852 PolarHBondContact O-N 3.06Å; I849-F852 PolarHBondContact O-N 2.82Å; Q850-F852 PolarHBondContact O-N 3.48Å; F852-P860 HydrophobicContact CB-CG 4.38Å; F852-P860 HydrophobicContact CD2-CG 4.27Å; F852-P860 WeakPolarHBondContact CD2-O 3.48Å; F852-M863 HydrophobicContact CB-SD 4.44Å; F852-M863 HydrophobicContact CD1-CB 4.4Å; F852-M863 HydrophobicContact CD1-SD 3.63Å; F852-M863 HydrophobicContact CD2-CB 3.8Å; F852-M863 HydrophobicContact CD2-SD 4.46Å; F852-M863 HydrophobicContact CE1-CB 4.21Å; F852-M863 HydrophobicContact CE1-SD 3.93Å; F852-M863 HydrophobicContact CE2-CB 3.57Å; F852-M863 HydrophobicContact CG-CB 4.2Å; F852-M863 HydrophobicContact CG-SD 3.92Å; F852-M863 HydrophobicContact CZ-CB 3.78Å; F852-M863 HydrophobicContact CZ-SD 4.45Å; F852-L876 HydrophobicContact CD1-CD2 4.17Å; F852-L876 HydrophobicContact CE1-CD2 4.46Å; F852-A879 HydrophobicContact CE1-CB 3.97Å; F852-A879 HydrophobicContact CZ-CB 3.97Å
853	Q	87.4	Confident	84	Confident	64 Å²	64	62.6 Å²	62.6	30%	0.299	33%	0.334	S	S	.	.	H	α-helix	trans	-78.9	-20.1	175.3	-75	-169.8	34.7	0	0	114	I849 Q850 N875 A878	I849-Q853 WeakPolarHBondContact O-CB 3.4Å; I849-Q853 WeakPolarHBondContact O-CG 3.3Å; I849-Q853 PolarHBondContact O-N 3.47Å; Q850-Q853 PolarHBondContact O-N 3.21Å; Q853-N875 PolarHBondContact NE2-O 3Å; Q853-A878 HydrophobicContact CB-CB 4.46Å; Q853-A878 HydrophobicContact CG-CB 4.24Å
854	S	87.1	Confident	85.2	Confident	49 Å²	49	54 Å²	54	34%	0.343	30%	0.297	S	S	.	.			trans	-52.8	140.6	177.2	-179	0	0	0	0	112.2	K808 Q850 E851 A856 S859	K808-S854 PolarHBondContact NZ-O 3.37Å; Q850-S854 PolarHBondContact O-N 3.11Å; E851-S854 WeakPolarHBondContact O-CB 3.46Å; E851-S854 PolarHBondContact O-N 2.83Å; S854-A856 VanDerWaalsContact C-N 3.3Å; S854-A856 WeakPolarHBondContact OG-CB 3.43Å; S854-A856 PolarHBondContact OG-N 2.84Å; S854-S859 PolarHBondContact O-OG 3.49Å
855	S	81.6	Confident	86	Confident	124 Å²	124	48.6 Å²	48.6	87%	0.867	27%	0.273	S	S	*	.			trans	-86.9	1.5	173.6	-55.4	0	0	0	0	113.5
856	A	82.8	Confident	86.6	Confident	39 Å²	39	46.8 Å²	46.8	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-62.2	153.2	-178.3	0	0	0	0	0	112.7	S854 D858 S859 R861	S854-A856 VanDerWaalsContact C-N 3.3Å; S854-A856 WeakPolarHBondContact OG-CB 3.43Å; S854-A856 PolarHBondContact OG-N 2.84Å; A856-D858 VanDerWaalsContact C-N 3.34Å; A856-D858 WeakPolarHBondContact CB-OD1 3.46Å; A856-D858 PolarHBondContact O-N 3.02Å; A856-S859 VanDerWaalsContact O-CB 3.29Å; A856-S859 WeakPolarHBondContact O-CB 3.06Å; A856-S859 PolarHBondContact O-N 3.3Å; A856-S859 PolarHBondContact O-OG 2.87Å; A856-R861 PolarHBondContact O-NH2 3.33Å
857	A	73.9	Confident	86.8	Confident	92 Å²	92	45.6 Å²	45.6	76%	0.76	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-38.9	-172.5	0	0	0	0	0	112.9	S859 R861	A857-S859 VanDerWaalsContact C-N 3.31Å; A857-S859 PolarHBondContact O-N 2.75Å; A857-R861 PolarHBondContact O-NH2 3.11Å
858	D	80.7	Confident	86.4	Confident	134 Å²	134	46.4 Å²	46.4	72%	0.717	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.4	176.5	62.8	-26.2	0	0	0	114.3	A856	A856-D858 VanDerWaalsContact C-N 3.34Å; A856-D858 WeakPolarHBondContact CB-OD1 3.46Å; A856-D858 PolarHBondContact O-N 3.02Å
859	S	86.6	Confident	85.6	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.028	26%	0.259	C	S	.	.	S	Bend	trans	-57.3	143.1	-175.2	68.4	0	0	0	0	113.1	K808 S854 A856 A857 R861	K808-S859 WeakPolarHBondContact CE-OG 3.27Å; K808-S859 PolarHBondContact NZ-OG 2.7Å; S854-S859 PolarHBondContact O-OG 3.49Å; A856-S859 VanDerWaalsContact O-CB 3.29Å; A856-S859 WeakPolarHBondContact O-CB 3.06Å; A856-S859 PolarHBondContact O-N 3.3Å; A856-S859 PolarHBondContact O-OG 2.87Å; A857-S859 VanDerWaalsContact C-N 3.31Å; A857-S859 PolarHBondContact O-N 2.75Å; S859-R861 PolarHBondContact O-N 3.49Å
860	P	89.8	Confident	84.6	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.026	25%	0.252	C	S	.	.			trans	-61.5	131.7	-175.6	23.5	-33.9	0	0	0	111.5	K808 V834 E851 F852	K808-P860 WeakPolarHBondContact CE-O 3.45Å; V834-P860 HydrophobicContact CB-CG 4.43Å; V834-P860 HydrophobicContact CG1-CB 4Å; V834-P860 HydrophobicContact CG1-CG 3.72Å; V834-P860 HydrophobicContact CG2-CB 4.11Å; V834-P860 HydrophobicContact CG2-CG 3.9Å; E851-P860 HydrophobicContact CG-CG 4.13Å; F852-P860 HydrophobicContact CB-CG 4.38Å; F852-P860 HydrophobicContact CD2-CG 4.27Å; F852-P860 WeakPolarHBondContact CD2-O 3.48Å
861	R	90.9	Very high	83.4	Confident	56 Å²	56	39.5 Å²	39.5	21%	0.211	23%	0.234	C	C	.	.	S	Bend	trans	-88.4	-25.3	-178.9	-58.8	-67	161.5	-178.1	-6.3	112.7	G806 K808 C809 S832 A856 A857 S859	G806-R861 PolarHBondContact O-NH1 3.19Å; G806-R861 VanDerWaalsContact O-NH1 3.16Å; K808-R861 CarbonylContact C-O 3.59Å; K808-R861 WeakPolarHBondContact CA-O 2.97Å; C809-R861 PolarHBondContact N-O 3.44Å; S832-R861 PolarHBondContact O-N 2.91Å; S832-R861 PolarHBondContact OG-N 3.42Å; A856-R861 PolarHBondContact O-NH2 3.33Å; A857-R861 PolarHBondContact O-NH2 3.11Å; S859-R861 PolarHBondContact O-N 3.49Å
862	V	94.3	Very high	82.2	Confident	1 Å²	1	37 Å²	37	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.5	178.6	179.7	0	0	0	0	110.2	L797 C809 V811 L826 F831 S832 F833 V834 L864	L797-V862 HydrophobicContact CD1-CG2 4.49Å; L797-V862 HydrophobicContact CD2-CG2 4.33Å; C809-V862 CarbonylContact O-C 3.57Å; C809-V862 WeakPolarHBondContact O-CA 3.37Å; V811-V862 HydrophobicContact CG2-CG1 3.85Å; L826-V862 HydrophobicContact CD1-CG1 4.12Å; L826-V862 HydrophobicContact CD2-CG2 4.48Å; F831-V862 HydrophobicContact CB-CG2 4.48Å; F831-V862 HydrophobicContact CD1-CG2 3.85Å; F831-V862 HydrophobicContact CG-CG2 4.37Å; S832-V862 PolarHBondContact O-N 3.25Å; S832-V862 VanDerWaalsContact O-N 3.17Å; F833-V862 WeakPolarHBondContact CA-O 3.24Å; F833-V862 HydrophobicContact CB-CB 3.88Å; F833-V862 HydrophobicContact CB-CG1 4.34Å; F833-V862 VanDerWaalsContact CB-O 3.27Å; F833-V862 WeakPolarHBondContact CB-O 3.42Å; V834-V862 PolarHBondContact N-O 3.26Å; V834-V862 VanDerWaalsContact N-O 3.07Å; V862-L864 HydrophobicContact CG1-CD2 4.37Å
863	M	94.4	Very high	80.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.7	172.1	179.3	176.3	-166.8	0	0	110.1	C809 L810 V811 V834 L836 I848 F852 L876	C809-M863 PolarHBondContact O-N 2.88Å; L810-M863 HydrophobicContact CD2-CB 3.82Å; L810-M863 HydrophobicContact CD2-CG 4.18Å; L810-M863 HydrophobicContact CD2-SD 3.88Å; V811-M863 PolarHBondContact N-O 2.92Å; V834-M863 HydrophobicContact CG2-CB 4.22Å; V834-M863 HydrophobicContact CG2-CG 4.15Å; V834-M863 CarbonylContact O-C 3.57Å; V834-M863 WeakPolarHBondContact O-CA 3.21Å; L836-M863 HydrophobicContact CB-CE 3.48Å; L836-M863 VanDerWaalsContact CB-CE 3.48Å; L836-M863 HydrophobicContact CD1-CE 3.35Å; L836-M863 HydrophobicContact CG-CE 4.03Å; I848-M863 HydrophobicContact CG2-CE 4.47Å; F852-M863 HydrophobicContact CB-SD 4.44Å; F852-M863 HydrophobicContact CD1-CB 4.4Å; F852-M863 HydrophobicContact CD1-SD 3.63Å; F852-M863 HydrophobicContact CD2-CB 3.8Å; F852-M863 HydrophobicContact CD2-SD 4.46Å; F852-M863 HydrophobicContact CE1-CB 4.21Å; F852-M863 HydrophobicContact CE1-SD 3.93Å; F852-M863 HydrophobicContact CE2-CB 3.57Å; F852-M863 HydrophobicContact CG-CB 4.2Å; F852-M863 HydrophobicContact CG-SD 3.92Å; F852-M863 HydrophobicContact CZ-CB 3.78Å; F852-M863 HydrophobicContact CZ-SD 4.45Å; M863-L876 HydrophobicContact CE-CD2 3.99Å; M863-L876 HydrophobicContact SD-CD1 4.36Å; M863-L876 HydrophobicContact SD-CD2 3.66Å
864	L	94.1	Very high	80.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.2	172.7	-58.6	-178.8	0	0	0	108.7	V811 L819 L822 Q823 L826 F833 V834 R835 L836 V862	V811-L864 HydrophobicContact CB-CD2 3.98Å; V811-L864 HydrophobicContact CG1-CD2 4.28Å; L819-L864 HydrophobicContact CD2-CB 4.26Å; L819-L864 WeakPolarHBondContact O-CD1 3.38Å; L822-L864 HydrophobicContact CB-CD2 4.36Å; Q823-L864 HydrophobicContact CG-CD1 3.73Å; L826-L864 HydrophobicContact CD1-CD1 4.38Å; L826-L864 HydrophobicContact CD1-CD2 3.84Å; L826-L864 HydrophobicContact CD1-CG 4.39Å; F833-L864 HydrophobicContact CD2-CD1 3.99Å; F833-L864 HydrophobicContact CD2-CG 4.38Å; F833-L864 HydrophobicContact CE2-CD1 4.12Å; V834-L864 PolarHBondContact O-N 3.33Å; R835-L864 CarbonylContact C-O 3.44Å; R835-L864 WeakPolarHBondContact CA-O 3.32Å; R835-L864 HydrophobicContact CB-CB 4.26Å; R835-L864 HydrophobicContact CG-CB 4.4Å; L836-L864 PolarHBondContact N-O 3.27Å; V862-L864 HydrophobicContact CG1-CD2 4.37Å
865	L	91.2	Very high	79.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.6	-172.3	179.6	61.8	0	0	0	110.5	L810 V811 V812 S813 L836 A869 L874 L876	L810-L865 HydrophobicContact CD1-CD2 4.46Å; V811-L865 PolarHBondContact O-N 3.26Å; V812-L865 VanDerWaalsContact CA-O 3.31Å; V812-L865 WeakPolarHBondContact CA-O 3.28Å; V812-L865 HydrophobicContact CG2-CB 4.39Å; V812-L865 HydrophobicContact CG2-CD2 4.38Å; S813-L865 PolarHBondContact N-O 3.23Å; L836-L865 HydrophobicContact CB-CD1 4.23Å; L836-L865 HydrophobicContact CD2-CD1 3.94Å; L836-L865 WeakPolarHBondContact O-CA 3.47Å; L865-A869 HydrophobicContact CD1-CB 4.24Å; L865-L874 HydrophobicContact CD1-CD1 4.32Å; L865-L876 HydrophobicContact CD2-CD1 3.9Å
866	S	87.8	Confident	80.1	Confident	7 Å²	7	29.4 Å²	29.4	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.9	171.4	84.1	0	0	0	0	110.3	S813 L836 K868 A869 G870	S813-S866 CarbonylContact O-C 3.55Å; S813-S866 WeakPolarHBondContact O-CA 3.47Å; L836-S866 PolarHBondContact O-N 3.36Å; L836-S866 VanDerWaalsContact O-N 3.08Å; S866-K868 PolarHBondContact O-N 2.7Å; S866-A869 CarbonylContact O-C 3.56Å; S866-A869 WeakPolarHBondContact O-CA 3.36Å; S866-A869 PolarHBondContact O-N 3.41Å; S866-A869 WeakPolarHBondContact OG-CB 3.44Å; S866-A869 PolarHBondContact OG-N 3.19Å; S866-G870 PolarHBondContact O-N 2.82Å
867	L	82.4	Confident	80.3	Confident	12 Å²	12	28.5 Å²	28.5	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-57.1	-39.7	-176.1	-176.6	66.3	0	0	0	112.1	V812 S813 Q814 A869 G870 G871 A888 T893 C897	V812-L867 HydrophobicContact CG1-CB 4.11Å; V812-L867 HydrophobicContact CG1-CD1 3.89Å; S813-L867 PolarHBondContact O-N 3.13Å; Q814-L867 HydrophobicContact CB-CB 4.37Å; Q814-L867 HydrophobicContact CB-CD2 4.47Å; L867-A869 VanDerWaalsContact C-N 3.31Å; L867-A869 PolarHBondContact O-N 3.08Å; L867-G870 PolarHBondContact O-N 3.46Å; L867-G870 VanDerWaalsContact O-N 3.13Å; L867-G871 PolarHBondContact O-N 3.31Å; L867-A888 HydrophobicContact CD2-CB 3.47Å; L867-A888 VanDerWaalsContact CD2-CB 3.47Å; L867-T893 HydrophobicContact CD1-CG2 4.42Å; L867-T893 HydrophobicContact CD2-CG2 4.18Å; L867-T893 HydrophobicContact CG-CG2 4.04Å; L867-C897 HydrophobicContact CD1-CB 3.92Å
868	K	72.2	Confident	81	Confident	134 Å²	134	25.9 Å²	25.9	58%	0.583	15%	0.145	S	C	*	.	H	α-helix	trans	-61.4	-37.2	173.3	-66.4	-178.8	-178.8	174.9	0	112.1	L709 S866	L709-K868 PolarHBondContact O-NZ 3.39Å; S866-K868 PolarHBondContact O-N 2.7Å
869	A	71.2	Confident	81.5	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.033	11%	0.111	C	C	.	.	H	α-helix	trans	-81.9	-10.3	175.6	0	0	0	0	0	114.2	L836 R845 L865 S866 L867 V872 L874	L836-A869 HydrophobicContact CD2-CB 3.68Å; R845-A869 PolarHBondContact NH2-O 3.45Å; L865-A869 HydrophobicContact CD1-CB 4.24Å; S866-A869 CarbonylContact O-C 3.56Å; S866-A869 WeakPolarHBondContact O-CA 3.36Å; S866-A869 PolarHBondContact O-N 3.41Å; S866-A869 WeakPolarHBondContact OG-CB 3.44Å; S866-A869 PolarHBondContact OG-N 3.19Å; L867-A869 VanDerWaalsContact C-N 3.31Å; L867-A869 PolarHBondContact O-N 3.08Å; A869-V872 WeakPolarHBondContact O-CG2 3.49Å; A869-L874 WeakPolarHBondContact O-CD1 3.19Å
870	G	63.9	Low	81.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-89.6	-29.7	171.2	0	0	0	0	0	114.5	S866 L867 V872 R900	S866-G870 PolarHBondContact O-N 2.82Å; L867-G870 PolarHBondContact O-N 3.46Å; L867-G870 VanDerWaalsContact O-N 3.13Å; G870-V872 PolarHBondContact O-N 2.81Å; G870-R900 VanDerWaalsContact O-CD 3.28Å; G870-R900 WeakPolarHBondContact O-CD 3.41Å; G870-R900 WeakPolarHBondContact O-CG 3.21Å
871	G	59.8	Low	82	Confident	20 Å²	20	21.8 Å²	21.8	21%	0.206	12%	0.119	C	C	.	.	S	Bend	trans	-66.3	-20.4	175.4	0	0	0	0	0	114.4	L867 R900	L867-G871 PolarHBondContact O-N 3.31Å; G871-R900 PolarHBondContact O-NH1 2.82Å
872	V	63	Low	82.2	Confident	33 Å²	33	19.2 Å²	19.2	20%	0.2	11%	0.11	C	C	.	.	S	Bend	trans	-80.3	161.7	179.6	-66.9	0	0	0	0	112.6	A869 G870 L874 R900	A869-V872 WeakPolarHBondContact O-CG2 3.49Å; G870-V872 PolarHBondContact O-N 2.81Å; V872-L874 VanDerWaalsContact C-N 3.27Å; V872-L874 PolarHBondContact O-N 2.85Å; V872-R900 VanDerWaalsContact O-CD 3.24Å; V872-R900 WeakPolarHBondContact O-CD 3.45Å; V872-R900 PolarHBondContact O-NH1 3.1Å
873	G	61.9	Low	82.3	Confident	17 Å²	17	19.3 Å²	19.3	18%	0.175	11%	0.11	C	C	.	.	S	Bend	trans	-70.5	61.6	-165	0	0	0	0	0	116.8
874	L	74.4	Confident	82.3	Confident	10 Å²	10	19.6 Å²	19.6	5%	0.052	11%	0.112	C	C	.	.			trans	-85.7	154.3	177.1	-66.3	-175.8	0	0	0	113.1	L836 R845 I849 L865 A869 V872 L876 R900 R903	L836-L874 HydrophobicContact CD1-CD1 4.07Å; L836-L874 HydrophobicContact CD2-CD1 4.36Å; R845-L874 VanDerWaalsContact NH2-CD2 3.3Å; I849-L874 HydrophobicContact CD1-CD2 3.51Å; I849-L874 HydrophobicContact CG1-CD2 4.45Å; L865-L874 HydrophobicContact CD1-CD1 4.32Å; A869-L874 WeakPolarHBondContact O-CD1 3.19Å; V872-L874 VanDerWaalsContact C-N 3.27Å; V872-L874 PolarHBondContact O-N 2.85Å; L874-L876 HydrophobicContact CB-CD1 4.43Å; L874-L876 HydrophobicContact CB-CG 4.25Å; L874-L876 HydrophobicContact CD1-CD1 4.11Å; L874-R900 HydrophobicContact CB-CG 4.41Å; L874-R900 WeakPolarHBondContact O-CD 3.48Å; L874-R903 PolarHBondContact O-NH1 2.93Å
875	N	80.6	Confident	82.4	Confident	51 Å²	51	19.6 Å²	19.6	27%	0.273	11%	0.112	S	C	.	.			trans	-104.8	126	160.2	-167.6	20.5	0	0	0	109	Q853 T877 R903	Q853-N875 PolarHBondContact NE2-O 3Å; N875-T877 WeakPolarHBondContact OD1-CG2 3.5Å; N875-R903 WeakPolarHBondContact OD1-CD 3.29Å; N875-R903 PolarHBondContact OD1-NE 3.26Å
876	L	86.6	Confident	82.4	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.			trans	-140.9	35.4	-178.6	-65.5	175.7	0	0	0	111.4	L810 F852 M863 L865 L874 A878 A879 R900 C901	L810-L876 HydrophobicContact CD1-CB 4.36Å; L810-L876 HydrophobicContact CD1-CD1 3.91Å; L810-L876 HydrophobicContact CD2-CD1 4.26Å; F852-L876 HydrophobicContact CD1-CD2 4.17Å; F852-L876 HydrophobicContact CE1-CD2 4.46Å; M863-L876 HydrophobicContact CE-CD2 3.99Å; M863-L876 HydrophobicContact SD-CD1 4.36Å; M863-L876 HydrophobicContact SD-CD2 3.66Å; L865-L876 HydrophobicContact CD2-CD1 3.9Å; L874-L876 HydrophobicContact CB-CD1 4.43Å; L874-L876 HydrophobicContact CB-CG 4.25Å; L874-L876 HydrophobicContact CD1-CD1 4.11Å; L876-A878 PolarHBondContact O-N 2.85Å; L876-A879 PolarHBondContact O-N 2.81Å; L876-R900 HydrophobicContact CB-CB 4.28Å; L876-R900 HydrophobicContact CD1-CB 4.12Å; L876-R900 HydrophobicContact CG-CB 4.4Å; L876-R900 PolarHBondContact N-O 2.69Å; L876-C901 HydrophobicContact CB-CB 4.47Å; L876-C901 VanDerWaalsContact O-CB 3.27Å; L876-C901 WeakPolarHBondContact O-CB 3.41Å
877	T	87.1	Confident	82.5	Confident	19 Å²	19	19.9 Å²	19.9	12%	0.117	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.2	-177.6	44.7	0	0	0	0	114.6	N875 A879 R903 L904 G905 Q906	N875-T877 WeakPolarHBondContact OD1-CG2 3.5Å; T877-A879 PolarHBondContact O-N 2.86Å; T877-R903 HydrophobicContact CG2-CG 3.59Å; T877-L904 WeakPolarHBondContact CG2-O 3.2Å; T877-G905 WeakPolarHBondContact CB-O 3.21Å; T877-Q906 HydrophobicContact CG2-CB 4.46Å; T877-Q906 PolarHBondContact O-NE2 3.24Å; T877-Q906 PolarHBondContact O-OE1 3.22Å
878	A	88.6	Confident	82.6	Confident	38 Å²	38	19.6 Å²	19.6	31%	0.314	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.8	176.7	0	0	0	0	0	113.7	K808 Q853 L876	K808-A878 HydrophobicContact CD-CB 4.33Å; Q853-A878 HydrophobicContact CB-CB 4.46Å; Q853-A878 HydrophobicContact CG-CB 4.24Å; L876-A878 PolarHBondContact O-N 2.85Å
879	A	91.6	Very high	82.9	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.			trans	-88.3	132.9	176.9	0	0	0	0	0	112.3	K808 L810 F852 L876 T877 C901 Q906	K808-A879 WeakPolarHBondContact O-CA 3.5Å; L810-A879 HydrophobicContact CD1-CB 4.17Å; L810-A879 HydrophobicContact CD2-CB 3.74Å; L810-A879 HydrophobicContact CG-CB 3.56Å; F852-A879 HydrophobicContact CE1-CB 3.97Å; F852-A879 HydrophobicContact CZ-CB 3.97Å; L876-A879 PolarHBondContact O-N 2.81Å; T877-A879 PolarHBondContact O-N 2.86Å; A879-C901 HydrophobicContact CB-CB 4.41Å; A879-Q906 PolarHBondContact O-NE2 2.91Å
880	S	92.1	Very high	83	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.021	12%	0.117	C	C	.	.			trans	-115.8	-10	178.3	58.8	0	0	0	0	113.4	L807 K808 V910 V911	L807-S880 VanDerWaalsContact CD2-OG 3.23Å; L807-S880 WeakPolarHBondContact CD2-OG 3.45Å; K808-S880 PolarHBondContact O-N 3.35Å; K808-S880 VanDerWaalsContact O-N 3.13Å; S880-V910 WeakPolarHBondContact O-CA 3.33Å; S880-V911 PolarHBondContact O-N 2.8Å
881	R	94.3	Very high	83.6	Confident	52 Å²	52	21.7 Å²	21.7	20%	0.196	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134	175.9	-57.9	-64.4	-170.4	140.3	6.6	109.4	L800 E803 K808 C809 L810 F883 V911	L800-R881 HydrophobicContact CD1-CB 4.34Å; L800-R881 HydrophobicContact CD1-CG 3.92Å; L800-R881 HydrophobicContact CD2-CG 4.47Å; L800-R881 VanDerWaalsContact CD2-NH2 3.25Å; E803-R881 IonicContact OE2-NH2 2.79Å; K808-R881 PolarHBondContact O-N 3.29Å; C809-R881 CarbonylContact C-O 3.6Å; C809-R881 WeakPolarHBondContact CA-O 3.32Å; C809-R881 HydrophobicContact CB-CB 4.35Å; L810-R881 PolarHBondContact N-O 2.93Å; R881-F883 HydrophobicContact CB-CE2 4.29Å; R881-V911 WeakPolarHBondContact CA-O 3.34Å
882	V	95.4	Very high	84.2	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120	178.1	-176.6	0	0	0	0	109.1	L810 V812 L884 C901 V910 V911 V912 T913	L810-V882 HydrophobicContact CB-CG1 4.44Å; L810-V882 HydrophobicContact CB-CG2 4.39Å; L810-V882 HydrophobicContact CD1-CG2 4.31Å; L810-V882 WeakPolarHBondContact O-CA 3.38Å; V812-V882 HydrophobicContact CG2-CG1 4.14Å; V882-L884 HydrophobicContact CG1-CD2 3.87Å; V882-L884 HydrophobicContact CG1-CG 4.45Å; V882-C901 WeakPolarHBondContact CG2-SG 3.37Å; V882-V910 HydrophobicContact CG2-CG1 4.41Å; V882-V911 PolarHBondContact N-O 2.85Å; V882-V912 HydrophobicContact CB-CG1 4.31Å; V882-V912 HydrophobicContact CB-CG2 4.23Å; V882-V912 HydrophobicContact CG1-CG1 4.39Å; V882-V912 CarbonylContact O-C 3.56Å; V882-V912 VanDerWaalsContact O-CA 3.3Å; V882-V912 WeakPolarHBondContact O-CA 3.42Å; V882-T913 PolarHBondContact O-N 2.69Å
883	F	96.3	Very high	84.7	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.7	173.6	-65.1	-78.1	0	0	0	108.9	L793 N796 L797 L800 C809 L810 V811 V812 R881 M885 T913 F915	L793-F883 HydrophobicContact CD1-CB 3.81Å; L793-F883 HydrophobicContact CD1-CD1 3.98Å; L793-F883 HydrophobicContact CD1-CD2 3.89Å; L793-F883 HydrophobicContact CD1-CE2 4.46Å; L793-F883 HydrophobicContact CD1-CG 3.61Å; N796-F883 HydrophobicContact CB-CE1 3.76Å; N796-F883 HydrophobicContact CB-CZ 3.95Å; L797-F883 HydrophobicContact CD2-CD2 4.25Å; L797-F883 HydrophobicContact CD2-CE2 3.69Å; L797-F883 HydrophobicContact CD2-CZ 4.39Å; L797-F883 HydrophobicContact CG-CE2 4.46Å; L800-F883 HydrophobicContact CD1-CE2 3.93Å; L800-F883 HydrophobicContact CD1-CZ 3.61Å; C809-F883 HydrophobicContact CB-CD2 4.41Å; C809-F883 HydrophobicContact CB-CE2 4.22Å; L810-F883 PolarHBondContact O-N 3.19Å; V811-F883 HydrophobicContact CG2-CB 4.39Å; V811-F883 HydrophobicContact CG2-CD2 4.3Å; V812-F883 PolarHBondContact N-O 3.25Å; R881-F883 HydrophobicContact CB-CE2 4.29Å; F883-M885 HydrophobicContact CB-SD 4.44Å; F883-T913 WeakPolarHBondContact CA-O 3.48Å; F883-T913 HydrophobicContact CD1-CG2 4.29Å; F883-T913 HydrophobicContact CE1-CG2 4.45Å; F883-F915 HydrophobicContact CB-CE2 4.05Å; F883-F915 AromaticContact CD1-CE2 3.55Å; F883-F915 HydrophobicContact CD1-CE2 3.55Å; F883-F915 AromaticContact CD1-CZ 3.72Å; F883-F915 HydrophobicContact CD1-CZ 3.72Å; F883-F915 HydrophobicContact CE1-CE2 4.43Å; F883-F915 HydrophobicContact CE1-CZ 4.17Å; F883-F915 HydrophobicContact CG-CE2 4.18Å
884	L	94.8	Very high	85.8	Confident	6 Å²	6	22.6 Å²	22.6	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.2	170.4	-58.5	-170.5	0	0	0	107.9	V812 V882 E894 I898 V912 T913 K914 F915	V812-L884 HydrophobicContact CB-CD2 3.69Å; V812-L884 HydrophobicContact CG1-CD2 4.17Å; V812-L884 HydrophobicContact CG2-CD2 3.96Å; V882-L884 HydrophobicContact CG1-CD2 3.87Å; V882-L884 HydrophobicContact CG1-CG 4.45Å; L884-E894 HydrophobicContact CD1-CB 4.1Å; L884-E894 HydrophobicContact CD1-CG 4.35Å; L884-I898 HydrophobicContact CD1-CD1 4.32Å; L884-V912 HydrophobicContact CD1-CG1 4.26Å; L884-V912 HydrophobicContact CG-CG1 4.15Å; L884-T913 PolarHBondContact N-O 2.75Å; L884-K914 HydrophobicContact CB-CG 4.34Å; L884-K914 HydrophobicContact CD1-CD 4.19Å; L884-K914 HydrophobicContact CD1-CG 4.09Å; L884-F915 PolarHBondContact O-N 3.12Å
885	M	95.1	Very high	86.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.			trans	-78.4	-20	-173.5	-63.3	-56	-60.1	0	0	113.5	K789 L793 V811 V812 F818 L822 F883 F915	K789-M885 HydrophobicContact CB-CE 4.15Å; K789-M885 VanDerWaalsContact CD-O 3.3Å; K789-M885 WeakPolarHBondContact CD-O 3.44Å; K789-M885 PolarHBondContact NZ-O 2.88Å; L793-M885 HydrophobicContact CB-CE 4.04Å; L793-M885 HydrophobicContact CB-SD 4.2Å; L793-M885 HydrophobicContact CD1-SD 4.01Å; L793-M885 HydrophobicContact CD2-CE 4.07Å; L793-M885 HydrophobicContact CD2-SD 3.9Å; L793-M885 HydrophobicContact CG-SD 4.24Å; V811-M885 HydrophobicContact CG1-CG 3.62Å; V811-M885 HydrophobicContact CG1-SD 3.88Å; V812-M885 WeakPolarHBondContact O-CB 3.38Å; V812-M885 WeakPolarHBondContact O-CG 3.49Å; V812-M885 PolarHBondContact O-N 3.01Å; F818-M885 HydrophobicContact CD1-CB 4.29Å; F818-M885 HydrophobicContact CE1-CB 3.86Å; F818-M885 HydrophobicContact CE1-CE 3.99Å; F818-M885 HydrophobicContact CE1-CG 4.49Å; F818-M885 HydrophobicContact CZ-CE 3.93Å; L822-M885 HydrophobicContact CD1-CG 4.38Å; F883-M885 HydrophobicContact CB-SD 4.44Å; M885-F915 HydrophobicContact CE-CD2 4.15Å; M885-F915 HydrophobicContact CE-CE2 4.48Å; M885-F915 HydrophobicContact SD-CD2 3.58Å; M885-F915 VanDerWaalsContact SD-CD2 3.58Å; M885-F915 HydrophobicContact SD-CE2 3.76Å
886	D	91.6	Very high	86	Confident	8 Å²	8	27.5 Å²	27.5	4%	0.043	15%	0.148	C	C	.	.	S	Bend	trans	-157.7	141.7	-176.2	42.7	92.5	0	0	0	110.6	S813 Q814	S813-D886 VanDerWaalsContact CA-OD2 3.31Å; S813-D886 WeakPolarHBondContact CA-OD2 3.44Å; S813-D886 WeakPolarHBondContact CB-OD2 3.19Å; S813-D886 PolarHBondContact OG-OD2 2.84Å; Q814-D886 WeakPolarHBondContact CB-OD1 3.18Å; Q814-D886 VanDerWaalsContact CG-OD1 3.22Å; Q814-D886 WeakPolarHBondContact CG-OD1 3.22Å; Q814-D886 PolarHBondContact N-OD1 2.87Å; Q814-D886 PolarHBondContact NE2-OD1 3Å
887	P	89.9	Confident	85.9	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.026	15%	0.148	C	C	.	.			trans	-79.3	146.6	-179.8	31.3	-34.2	0	0	0	112.2	R672 Q814 I916 E922 V926	R672-P887 PolarHBondContact NH2-O 3.27Å; Q814-P887 PolarHBondContact NE2-O 2.74Å; Q814-P887 VanDerWaalsContact NE2-O 3.11Å; P887-I916 HydrophobicContact CB-CD1 4.04Å; P887-I916 HydrophobicContact CG-CD1 3.91Å; P887-E922 HydrophobicContact CG-CB 3.9Å; P887-E922 HydrophobicContact CG-CG 4.01Å; P887-V926 HydrophobicContact CB-CG2 4.18Å
888	A	84.4	Confident	86	Confident	6 Å²	6	27 Å²	27	5%	0.05	14%	0.144	C	C	.	.			trans	-102.1	149.1	178.2	0	0	0	0	0	111.9	L867 N890 E894 Q929	L867-A888 HydrophobicContact CD2-CB 3.47Å; L867-A888 VanDerWaalsContact CD2-CB 3.47Å; A888-N890 PolarHBondContact O-N 3.38Å; A888-E894 HydrophobicContact CB-CG 3.96Å; A888-E894 PolarHBondContact N-OE1 2.93Å; A888-Q929 PolarHBondContact O-NE2 3.37Å
889	W	77.8	Confident	85.7	Confident	75 Å²	75	26 Å²	26	28%	0.284	13%	0.134	S	C	.	.	S	Bend	trans	-58.5	-33.2	-179.8	-69.7	108.8	0	0	0	114.2	S711 M925 L958	S711-W889 PolarHBondContact O-NE1 3.14Å; W889-M925 HydrophobicContact CD2-CE 3.6Å; W889-M925 HydrophobicContact CE3-CE 3.73Å; W889-M925 HydrophobicContact CE3-CG 4.39Å; W889-M925 HydrophobicContact CG-CE 4.18Å; W889-M925 HydrophobicContact CH2-CE 3.96Å; W889-M925 HydrophobicContact CH2-CG 3.65Å; W889-M925 HydrophobicContact CH2-SD 3.77Å; W889-M925 HydrophobicContact CZ2-CE 3.86Å; W889-M925 HydrophobicContact CZ2-CG 4.35Å; W889-M925 HydrophobicContact CZ2-SD 3.85Å; W889-M925 HydrophobicContact CZ3-CE 3.9Å; W889-M925 HydrophobicContact CZ3-CG 3.69Å; W889-M925 HydrophobicContact CZ3-SD 4.16Å; W889-L958 HydrophobicContact CH2-CD1 3.53Å; W889-L958 HydrophobicContact CH2-CD2 3.82Å; W889-L958 HydrophobicContact CH2-CG 4.34Å; W889-L958 HydrophobicContact CZ3-CD1 3.86Å; W889-L958 HydrophobicContact CZ3-CD2 3.99Å
890	N	73.1	Confident	85.4	Confident	81 Å²	81	26.3 Å²	26.3	43%	0.433	14%	0.135	S	C	.	.	S	Bend	trans	-106.3	112.5	175.7	-177.3	1.8	0	0	0	110.3	A888 A892 T893	A888-N890 PolarHBondContact O-N 3.38Å; N890-A892 PolarHBondContact O-N 2.95Å; N890-A892 VanDerWaalsContact OD1-CB 3.3Å; N890-A892 WeakPolarHBondContact OD1-CB 3.32Å; N890-A892 PolarHBondContact OD1-N 3.19Å; N890-T893 WeakPolarHBondContact O-CB 3.4Å; N890-T893 PolarHBondContact O-N 3.02Å; N890-T893 VanDerWaalsContact O-N 3.16Å
891	P	76.6	Confident	85.1	Confident	27 Å²	27	26.1 Å²	26.1	18%	0.175	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-22.8	179.6	27.2	-34.3	0	0	0	113	T893 E894 E895 Q933	P891-T893 PolarHBondContact O-N 2.6Å; P891-E894 WeakPolarHBondContact O-CB 3.47Å; P891-E894 PolarHBondContact O-N 3.46Å; P891-E895 PolarHBondContact O-N 2.84Å; P891-Q933 HydrophobicContact CG-CG 4.14Å
892	A	73.3	Confident	84.8	Confident	41 Å²	41	24.4 Å²	24.4	34%	0.339	13%	0.128	S	C	.	.	H	α-helix	trans	-63.4	-30.1	175.5	0	0	0	0	0	112.3	N890 E895 Q896	N890-A892 PolarHBondContact O-N 2.95Å; N890-A892 VanDerWaalsContact OD1-CB 3.3Å; N890-A892 WeakPolarHBondContact OD1-CB 3.32Å; N890-A892 PolarHBondContact OD1-N 3.19Å; A892-E895 PolarHBondContact O-N 3.36Å; A892-Q896 WeakPolarHBondContact O-CB 3.35Å; A892-Q896 VanDerWaalsContact O-CG 3.25Å; A892-Q896 WeakPolarHBondContact O-CG 3.45Å; A892-Q896 PolarHBondContact O-N 2.88Å
893	T	73.6	Confident	84.2	Confident	42 Å²	42	26.4 Å²	26.4	26%	0.258	14%	0.135	S	C	.	.	H	α-helix	trans	-69	-36.9	176.4	-49.8	0	0	0	0	111.6	L867 N890 P891 C897	L867-T893 HydrophobicContact CD1-CG2 4.42Å; L867-T893 HydrophobicContact CD2-CG2 4.18Å; L867-T893 HydrophobicContact CG-CG2 4.04Å; N890-T893 WeakPolarHBondContact O-CB 3.4Å; N890-T893 PolarHBondContact O-N 3.02Å; N890-T893 VanDerWaalsContact O-N 3.16Å; P891-T893 PolarHBondContact O-N 2.6Å; T893-C897 PolarHBondContact O-N 2.81Å
894	E	84.8	Confident	83.1	Confident	5 Å²	5	28.2 Å²	28.2	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-45	173.1	-58.9	178.6	-166.3	0	0	110.8	L884 A888 P891 C897 I898 K914 Q929	L884-E894 HydrophobicContact CD1-CB 4.1Å; L884-E894 HydrophobicContact CD1-CG 4.35Å; A888-E894 HydrophobicContact CB-CG 3.96Å; A888-E894 PolarHBondContact N-OE1 2.93Å; P891-E894 WeakPolarHBondContact O-CB 3.47Å; P891-E894 PolarHBondContact O-N 3.46Å; E894-C897 WeakPolarHBondContact O-CB 3.42Å; E894-C897 PolarHBondContact O-N 3.09Å; E894-I898 WeakPolarHBondContact O-CG1 3.25Å; E894-I898 PolarHBondContact O-N 2.83Å; E894-K914 WeakPolarHBondContact OE2-CE 3.41Å; E894-K914 IonicContact OE2-NZ 2.82Å; E894-K914 PolarHBondContact OE2-NZ 2.89Å; E894-Q929 PolarHBondContact OE1-NE2 2.84Å
895	E	81	Confident	82.3	Confident	97 Å²	97	30.7 Å²	30.7	45%	0.453	17%	0.172	S	C	.	.	H	α-helix	trans	-64.4	-42.7	178.7	-177.9	141.1	-117.2	0	0	112.6	K620 P891 A892 C897 I898 D899	K620-E895 IonicContact NZ-OE1 3.89Å; K620-E895 PolarHBondContact NZ-OE1 3.49Å; P891-E895 PolarHBondContact O-N 2.84Å; A892-E895 PolarHBondContact O-N 3.36Å; E895-C897 PolarHBondContact O-N 2.78Å; E895-I898 PolarHBondContact O-N 3.04Å; E895-D899 WeakPolarHBondContact O-CB 3.29Å; E895-D899 PolarHBondContact O-N 3.19Å
896	Q	78.7	Confident	81.8	Confident	68 Å²	68	31.5 Å²	31.5	32%	0.318	18%	0.176	S	C	.	.	H	α-helix	trans	-56.8	-39.8	173.2	-75.2	174.8	16.4	0	0	112	M283 A892 D899 R900	M283-Q896 HydrophobicContact SD-CG 4.01Å; A892-Q896 WeakPolarHBondContact O-CB 3.35Å; A892-Q896 VanDerWaalsContact O-CG 3.25Å; A892-Q896 WeakPolarHBondContact O-CG 3.45Å; A892-Q896 PolarHBondContact O-N 2.88Å; Q896-D899 PolarHBondContact O-N 3.47Å; Q896-R900 PolarHBondContact O-N 2.96Å; Q896-R900 PolarHBondContact O-NE 3.17Å; Q896-R900 PolarHBondContact O-NH2 3.25Å
897	C	84.7	Confident	81.4	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-45.9	176.2	-170.3	0	0	0	0	112	L867 T893 E894 E895 D899 R900	L867-C897 HydrophobicContact CD1-CB 3.92Å; T893-C897 PolarHBondContact O-N 2.81Å; E894-C897 WeakPolarHBondContact O-CB 3.42Å; E894-C897 PolarHBondContact O-N 3.09Å; E895-C897 PolarHBondContact O-N 2.78Å; C897-D899 VanDerWaalsContact C-N 3.27Å; C897-D899 PolarHBondContact O-N 2.9Å; C897-R900 VanDerWaalsContact O-CB 3.27Å; C897-R900 WeakPolarHBondContact O-CB 3.3Å; C897-R900 VanDerWaalsContact O-CG 3.26Å; C897-R900 WeakPolarHBondContact O-CG 3.43Å; C897-R900 PolarHBondContact O-N 3.15Å; C897-R900 VanDerWaalsContact O-N 3.07Å
898	I	87.9	Confident	81.3	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-41.3	175.2	-65.3	159.7	0	0	0	110.6	K620 L884 E894 E895 R900 C901 H902 V912	K620-I898 HydrophobicContact CD-CG2 4.26Å; L884-I898 HydrophobicContact CD1-CD1 4.32Å; E894-I898 WeakPolarHBondContact O-CG1 3.25Å; E894-I898 PolarHBondContact O-N 2.83Å; E895-I898 PolarHBondContact O-N 3.04Å; I898-R900 PolarHBondContact O-N 2.8Å; I898-R900 VanDerWaalsContact O-N 3.07Å; I898-C901 PolarHBondContact O-N 2.67Å; I898-C901 PolarHBondContact O-SG 3.13Å; I898-H902 HydrophobicContact CG2-CB 4.47Å; I898-H902 PolarHBondContact O-N 3.35Å; I898-V912 HydrophobicContact CD1-CG1 3.91Å; I898-V912 HydrophobicContact CD1-CG2 4.11Å; I898-V912 HydrophobicContact CG1-CG1 4.2Å; I898-V912 HydrophobicContact CG1-CG2 4.05Å; I898-V912 HydrophobicContact CG2-CG2 3.8Å
899	D	83.5	Confident	81.5	Confident	17 Å²	17	49.1 Å²	49.1	9%	0.091	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.2	177.9	-87.4	15.1	0	0	0	114.3	M283 K605 E895 Q896 C897	M283-D899 HydrophobicContact CB-CB 4.44Å; K605-D899 IonicContact NZ-OD1 3.16Å; K605-D899 PolarHBondContact NZ-OD1 2.81Å; K605-D899 IonicContact NZ-OD2 3.28Å; K605-D899 PolarHBondContact NZ-OD2 2.82Å; E895-D899 WeakPolarHBondContact O-CB 3.29Å; E895-D899 PolarHBondContact O-N 3.19Å; Q896-D899 PolarHBondContact O-N 3.47Å; C897-D899 VanDerWaalsContact C-N 3.27Å; C897-D899 PolarHBondContact O-N 2.9Å
900	R	83.9	Confident	82.2	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.026	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.6	166.6	-55.2	-56.4	89.1	128.9	11.3	112.7	M283 G870 G871 V872 L874 L876 Q896 C897 I898 R903	M283-R900 VanDerWaalsContact CE-NH2 3.3Å; M283-R900 PolarHBondContact SD-NH2 2.95Å; G870-R900 VanDerWaalsContact O-CD 3.28Å; G870-R900 WeakPolarHBondContact O-CD 3.41Å; G870-R900 WeakPolarHBondContact O-CG 3.21Å; G871-R900 PolarHBondContact O-NH1 2.82Å; V872-R900 VanDerWaalsContact O-CD 3.24Å; V872-R900 WeakPolarHBondContact O-CD 3.45Å; V872-R900 PolarHBondContact O-NH1 3.1Å; L874-R900 HydrophobicContact CB-CG 4.41Å; L874-R900 WeakPolarHBondContact O-CD 3.48Å; L876-R900 HydrophobicContact CB-CB 4.28Å; L876-R900 HydrophobicContact CD1-CB 4.12Å; L876-R900 HydrophobicContact CG-CB 4.4Å; L876-R900 PolarHBondContact N-O 2.69Å; Q896-R900 PolarHBondContact O-N 2.96Å; Q896-R900 PolarHBondContact O-NE 3.17Å; Q896-R900 PolarHBondContact O-NH2 3.25Å; C897-R900 VanDerWaalsContact O-CB 3.27Å; C897-R900 WeakPolarHBondContact O-CB 3.3Å; C897-R900 VanDerWaalsContact O-CG 3.26Å; C897-R900 WeakPolarHBondContact O-CG 3.43Å; C897-R900 PolarHBondContact O-N 3.15Å; C897-R900 VanDerWaalsContact O-N 3.07Å; I898-R900 PolarHBondContact O-N 2.8Å; I898-R900 VanDerWaalsContact O-N 3.07Å; R900-R903 WeakPolarHBondContact O-CD 3.43Å
901	C	87	Confident	83.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-32.4	178.7	71.5	0	0	0	0	112.8	L810 L876 A879 V882 I898 R903 Q906	L810-C901 HydrophobicContact CD1-CB 4.26Å; L876-C901 HydrophobicContact CB-CB 4.47Å; L876-C901 VanDerWaalsContact O-CB 3.27Å; L876-C901 WeakPolarHBondContact O-CB 3.41Å; A879-C901 HydrophobicContact CB-CB 4.41Å; V882-C901 WeakPolarHBondContact CG2-SG 3.37Å; I898-C901 PolarHBondContact O-N 2.67Å; I898-C901 PolarHBondContact O-SG 3.13Å; C901-R903 PolarHBondContact O-N 2.98Å; C901-R903 VanDerWaalsContact O-N 3.16Å; C901-Q906 PolarHBondContact O-NE2 3.21Å
902	H	87	Confident	84.1	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.069	22%	0.219	C	C	.	.	S	Bend	trans	-87.8	71.9	173	-167.2	-106.9	0	0	0	111.3	K605 P618 I898 V910	K605-H902 PolarHBondContact NZ-O 3.13Å; P618-H902 PolarHBondContact O-NE2 3.06Å; I898-H902 HydrophobicContact CG2-CB 4.47Å; I898-H902 PolarHBondContact O-N 3.35Å; H902-V910 HydrophobicContact CB-CG2 4.25Å
903	R	82.3	Confident	85.1	Confident	45 Å²	45	40.1 Å²	40.1	17%	0.17	21%	0.206	C	C	.	.	S	Bend	trans	-145	174.5	-178.2	60.9	-178.7	-70.3	170.3	-1.4	111.8	L874 N875 T877 R900 C901 G905 Q906	L874-R903 PolarHBondContact O-NH1 2.93Å; N875-R903 WeakPolarHBondContact OD1-CD 3.29Å; N875-R903 PolarHBondContact OD1-NE 3.26Å; T877-R903 HydrophobicContact CG2-CG 3.59Å; R900-R903 WeakPolarHBondContact O-CD 3.43Å; C901-R903 PolarHBondContact O-N 2.98Å; C901-R903 VanDerWaalsContact O-N 3.16Å; R903-G905 PolarHBondContact O-N 2.82Å; R903-Q906 WeakPolarHBondContact O-CB 3.48Å; R903-Q906 PolarHBondContact O-N 3.35Å
904	L	74.3	Confident	86.2	Confident	41 Å²	41	40.1 Å²	40.1	22%	0.215	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	130.8	172	-77.9	173.5	0	0	0	111.2	L228 G284 L285 V615 T877	L228-L904 HydrophobicContact CD1-CD1 3.7Å; L228-L904 HydrophobicContact CD1-CD2 3.47Å; L228-L904 VanDerWaalsContact CD1-CD2 3.47Å; L228-L904 HydrophobicContact CD1-CG 4.25Å; G284-L904 WeakPolarHBondContact O-CB 3.05Å; G284-L904 VanDerWaalsContact O-CD1 3.27Å; G284-L904 WeakPolarHBondContact O-CD1 3.23Å; G284-L904 WeakPolarHBondContact O-CG 3.35Å; L285-L904 WeakPolarHBondContact O-CD1 3.34Å; V615-L904 HydrophobicContact CB-CD2 4.35Å; V615-L904 HydrophobicContact CG1-CD2 3.36Å; V615-L904 HydrophobicContact CG1-CG 4.35Å; V615-L904 HydrophobicContact CG2-CD2 3.99Å; T877-L904 WeakPolarHBondContact CG2-O 3.2Å
905	G	77.8	Confident	86.7	Confident	58 Å²	58	39.9 Å²	39.9	60%	0.598	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	97	-1	-171.2	0	0	0	0	0	114.7	T877 R903	T877-G905 WeakPolarHBondContact CB-O 3.21Å; R903-G905 PolarHBondContact O-N 2.82Å
906	Q	85	Confident	87.4	Confident	17 Å²	17	35.4 Å²	35.4	8%	0.079	18%	0.181	C	C	.	.			trans	-84	125	170.1	179.5	58.6	-99.1	0	0	110.9	P618 T877 A879 C901 R903 R908 V910	P618-Q906 VanDerWaalsContact CD-O 3.26Å; P618-Q906 WeakPolarHBondContact CD-O 3.28Å; P618-Q906 HydrophobicContact CG-CG 4.17Å; P618-Q906 WeakPolarHBondContact CG-O 3.45Å; T877-Q906 HydrophobicContact CG2-CB 4.46Å; T877-Q906 PolarHBondContact O-NE2 3.24Å; T877-Q906 PolarHBondContact O-OE1 3.22Å; A879-Q906 PolarHBondContact O-NE2 2.91Å; C901-Q906 PolarHBondContact O-NE2 3.21Å; R903-Q906 WeakPolarHBondContact O-CB 3.48Å; R903-Q906 PolarHBondContact O-N 3.35Å; Q906-R908 VanDerWaalsContact CG-O 3.29Å; Q906-R908 WeakPolarHBondContact CG-O 3.07Å; Q906-R908 PolarHBondContact OE1-O 2.76Å; Q906-V910 HydrophobicContact CG-CG2 3.79Å
907	E	83.8	Confident	88.2	Confident	180 Å²	180	32.2 Å²	32.2	84%	0.841	17%	0.166	S	C	*	.			trans	-103.7	-25.4	-180	-61.9	-179.8	169.6	0	0	113	P618	P618-E907 WeakPolarHBondContact CG-O 3.18Å
908	R	86.3	Confident	88.6	Confident	110 Å²	110	35.7 Å²	35.7	42%	0.415	18%	0.181	S	C	.	.	S	Bend	trans	-104.6	150.6	-175.7	-65.6	-176.4	174.9	-158.3	-1.5	111.7	P618 D804 Q906 V910	P618-R908 VanDerWaalsContact CB-C 3.41Å; P618-R908 WeakPolarHBondContact CB-O 3.34Å; D804-R908 IonicContact OD2-CZ 3.58Å; D804-R908 IonicContact OD2-NH1 2.68Å; D804-R908 PolarHBondContact OD2-NH1 2.83Å; D804-R908 IonicContact OD2-NH2 3.79Å; Q906-R908 VanDerWaalsContact CG-O 3.29Å; Q906-R908 WeakPolarHBondContact CG-O 3.07Å; Q906-R908 PolarHBondContact OE1-O 2.76Å; R908-V910 PolarHBondContact O-N 2.92Å
909	N	89.1	Confident	88.7	Confident	99 Å²	99	39 Å²	39	53%	0.529	20%	0.199	S	C	.	.			trans	-59	131.1	172.7	-70.4	-36.6	0	0	0	110.2	P618 K619	P618-N909 WeakPolarHBondContact CB-OD1 3.33Å; K619-N909 PolarHBondContact N-OD1 2.94Å; K619-N909 CarbonylContact O-C 3.6Å; K619-N909 WeakPolarHBondContact O-CA 3.26Å
910	V	92.3	Very high	89.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.6	-178.1	178.4	0	0	0	0	109.3	K619 K620 T621 S880 V882 H902 Q906 R908 V912	K619-V910 PolarHBondContact O-N 2.8Å; K620-V910 WeakPolarHBondContact CA-O 3.4Å; T621-V910 PolarHBondContact N-O 2.81Å; S880-V910 WeakPolarHBondContact O-CA 3.33Å; V882-V910 HydrophobicContact CG2-CG1 4.41Å; H902-V910 HydrophobicContact CB-CG2 4.25Å; Q906-V910 HydrophobicContact CG-CG2 3.79Å; R908-V910 PolarHBondContact O-N 2.92Å; V910-V912 HydrophobicContact CG1-CG2 4.29Å
911	V	94.6	Very high	89.4	Confident	21 Å²	21	37.9 Å²	37.9	13%	0.127	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	175.5	-177.5	0	0	0	0	109.5	Y623 S880 R881 V882	Y623-V911 HydrophobicContact CD2-CG1 3.65Å; Y623-V911 HydrophobicContact CE2-CG1 3.68Å; S880-V911 PolarHBondContact O-N 2.8Å; R881-V911 WeakPolarHBondContact CA-O 3.34Å; V882-V911 PolarHBondContact N-O 2.85Å
912	V	94.9	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.3	175.6	-173.1	0	0	0	0	108.6	T621 V622 Y623 V882 L884 I898 V910	T621-V912 PolarHBondContact O-N 2.75Å; V622-V912 CarbonylContact C-O 3.59Å; V622-V912 WeakPolarHBondContact CA-O 3.35Å; V622-V912 HydrophobicContact CG1-CB 4.34Å; V622-V912 HydrophobicContact CG1-CG1 4.46Å; V622-V912 HydrophobicContact CG2-CB 4.2Å; V622-V912 HydrophobicContact CG2-CG2 4.4Å; Y623-V912 PolarHBondContact N-O 2.98Å; V882-V912 HydrophobicContact CB-CG1 4.31Å; V882-V912 HydrophobicContact CB-CG2 4.23Å; V882-V912 HydrophobicContact CG1-CG1 4.39Å; V882-V912 CarbonylContact O-C 3.56Å; V882-V912 VanDerWaalsContact O-CA 3.3Å; V882-V912 WeakPolarHBondContact O-CA 3.42Å; L884-V912 HydrophobicContact CD1-CG1 4.26Å; L884-V912 HydrophobicContact CG-CG1 4.15Å; I898-V912 HydrophobicContact CD1-CG1 3.91Å; I898-V912 HydrophobicContact CD1-CG2 4.11Å; I898-V912 HydrophobicContact CG1-CG1 4.2Å; I898-V912 HydrophobicContact CG1-CG2 4.05Å; I898-V912 HydrophobicContact CG2-CG2 3.8Å; V910-V912 HydrophobicContact CG1-CG2 4.29Å
913	T	95.7	Very high	89.8	Confident	13 Å²	13	39 Å²	39	8%	0.08	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.5	172	-62	0	0	0	0	108.7	E625 V882 F883 L884 F915	E625-T913 HydrophobicContact CB-CG2 3.78Å; E625-T913 WeakPolarHBondContact OE2-CG2 3.34Å; V882-T913 PolarHBondContact O-N 2.69Å; F883-T913 WeakPolarHBondContact CA-O 3.48Å; F883-T913 HydrophobicContact CD1-CG2 4.29Å; F883-T913 HydrophobicContact CE1-CG2 4.45Å; L884-T913 PolarHBondContact N-O 2.75Å; T913-F915 HydrophobicContact CG2-CD1 4.45Å; T913-F915 HydrophobicContact CG2-CE1 4.08Å; T913-F915 HydrophobicContact CG2-CZ 4.17Å
914	K	95.1	Very high	90.1	Very high	42 Å²	42	37.3 Å²	37.3	18%	0.183	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.5	173.5	-53.5	-160.5	-177.2	-169.3	0	109.7	V622 Y623 E625 L884 E894	V622-K914 HydrophobicContact CG1-CG 4.32Å; Y623-K914 PolarHBondContact O-N 3.12Å; E625-K914 PolarHBondContact N-O 2.77Å; L884-K914 HydrophobicContact CB-CG 4.34Å; L884-K914 HydrophobicContact CD1-CD 4.19Å; L884-K914 HydrophobicContact CD1-CG 4.09Å; E894-K914 WeakPolarHBondContact OE2-CE 3.41Å; E894-K914 IonicContact OE2-NZ 2.82Å; E894-K914 PolarHBondContact OE2-NZ 2.89Å
915	F	96.1	Very high	90.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	111.1	174.7	-65.2	-66.5	0	0	0	110.5	E625 V627 K789 A792 L793 F883 L884 M885 T913	E625-F915 HydrophobicContact CB-CD1 4.05Å; E625-F915 HydrophobicContact CB-CE1 4.26Å; E625-F915 HydrophobicContact CG-CD1 4.28Å; E625-F915 HydrophobicContact CG-CE1 4.23Å; V627-F915 HydrophobicContact CG2-CB 4.12Å; V627-F915 HydrophobicContact CG2-CD1 3.79Å; V627-F915 HydrophobicContact CG2-CG 4.38Å; K789-F915 HydrophobicContact CD-CB 4.24Å; K789-F915 PolarHBondContact NZ-O 3.07Å; A792-F915 HydrophobicContact CB-CD1 4.08Å; A792-F915 HydrophobicContact CB-CE1 3.75Å; A792-F915 HydrophobicContact CB-CZ 4.45Å; L793-F915 HydrophobicContact CB-CE2 4.09Å; L793-F915 HydrophobicContact CB-CZ 4.27Å; L793-F915 HydrophobicContact CD1-CE2 4.01Å; F883-F915 HydrophobicContact CB-CE2 4.05Å; F883-F915 AromaticContact CD1-CE2 3.55Å; F883-F915 HydrophobicContact CD1-CE2 3.55Å; F883-F915 AromaticContact CD1-CZ 3.72Å; F883-F915 HydrophobicContact CD1-CZ 3.72Å; F883-F915 HydrophobicContact CE1-CE2 4.43Å; F883-F915 HydrophobicContact CE1-CZ 4.17Å; F883-F915 HydrophobicContact CG-CE2 4.18Å; L884-F915 PolarHBondContact O-N 3.12Å; M885-F915 HydrophobicContact CE-CD2 4.15Å; M885-F915 HydrophobicContact CE-CE2 4.48Å; M885-F915 HydrophobicContact SD-CD2 3.58Å; M885-F915 VanDerWaalsContact SD-CD2 3.58Å; M885-F915 HydrophobicContact SD-CE2 3.76Å; T913-F915 HydrophobicContact CG2-CD1 4.45Å; T913-F915 HydrophobicContact CG2-CE1 4.08Å; T913-F915 HydrophobicContact CG2-CZ 4.17Å
916	I	95.4	Very high	91.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	179.3	-58.6	-59.2	0	0	0	108.6	V624 E625 Q626 V627 P887 E922 E923 V926	V624-I916 HydrophobicContact CG1-CB 4.19Å; V624-I916 HydrophobicContact CG1-CG1 3.77Å; E625-I916 PolarHBondContact O-N 2.78Å; E625-I916 VanDerWaalsContact O-N 3.08Å; Q626-I916 WeakPolarHBondContact CA-O 3.48Å; Q626-I916 PolarHBondContact OE1-O 3.41Å; V627-I916 PolarHBondContact N-O 2.93Å; P887-I916 HydrophobicContact CB-CD1 4.04Å; P887-I916 HydrophobicContact CG-CD1 3.91Å; I916-E922 HydrophobicContact CG2-CB 4.22Å; I916-E923 HydrophobicContact CG2-CB 4.16Å; I916-E923 HydrophobicContact CG2-CG 4.44Å; I916-V926 HydrophobicContact CD1-CG2 3.64Å; I916-V926 HydrophobicContact CG1-CG2 4.19Å
917	V	95.1	Very high	91.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129	175.1	-179.1	0	0	0	0	110.7	V627 L629 C675 K789 S920 E922	V627-V917 WeakPolarHBondContact O-CA 3.34Å; L629-V917 HydrophobicContact CD1-CG1 3.93Å; L629-V917 HydrophobicContact CD2-CG1 3.81Å; L629-V917 HydrophobicContact CD2-CG2 4.1Å; L629-V917 HydrophobicContact CG-CG1 3.54Å; C675-V917 HydrophobicContact CB-CB 4.25Å; C675-V917 HydrophobicContact CB-CG2 3.73Å; C675-V917 WeakPolarHBondContact O-CG2 3.32Å; K789-V917 HydrophobicContact CG-CG2 4.41Å; V917-S920 WeakPolarHBondContact O-CB 3.38Å; V917-S920 PolarHBondContact O-OG 2.78Å; V917-E922 PolarHBondContact N-OE2 3.45Å
918	K	92.8	Very high	91.1	Very high	75 Å²	75	31 Å²	31	33%	0.326	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	142.8	179.5	-174.1	-174.9	158	-174.4	0	112.5	V627 E628 R634 S920	V627-K918 PolarHBondContact O-N 2.8Å; E628-K918 HydrophobicContact CG-CD 4.14Å; E628-K918 VanDerWaalsContact OE1-CD 3.31Å; E628-K918 WeakPolarHBondContact OE1-CD 3.3Å; E628-K918 IonicContact OE1-NZ 3.87Å; E628-K918 PolarHBondContact OE1-NZ 3.23Å; R634-K918 PolarHBondContact NH1-O 2.91Å; K918-S920 PolarHBondContact O-N 3.17Å
919	D	90.5	Very high	90.7	Very high	75 Å²	75	26.4 Å²	26.4	40%	0.401	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	29.6	-176.4	-41.7	-66.3	0	0	0	113.6	R634 R641 E923	R634-D919 IonicContact CZ-OD2 2.68Å; R634-D919 IonicContact NH2-OD2 3.72Å; R634-D919 PolarHBondContact NH2-OD2 2.79Å; R641-D919 PolarHBondContact NH1-O 2.84Å; D919-E923 WeakPolarHBondContact CA-OE2 3.35Å; D919-E923 PolarHBondContact N-OE2 3.43Å
920	S	92.1	Very high	90.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-117.6	172.6	-173.8	83.3	0	0	0	0	114	Y637 V917 K918 E922 E923 N924	Y637-S920 WeakPolarHBondContact OH-CA 3.49Å; V917-S920 WeakPolarHBondContact O-CB 3.38Å; V917-S920 PolarHBondContact O-OG 2.78Å; K918-S920 PolarHBondContact O-N 3.17Å; S920-E922 PolarHBondContact O-N 2.95Å; S920-E922 WeakPolarHBondContact OG-CB 3.43Å; S920-E922 PolarHBondContact OG-N 2.97Å; S920-E922 VanDerWaalsContact OG-N 3.08Å; S920-E923 PolarHBondContact O-N 3.01Å; S920-E923 VanDerWaalsContact O-N 3.16Å; S920-N924 PolarHBondContact O-N 3.12Å
921	V	89.8	Confident	89.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-56.6	-31.6	171	69.4	0	0	0	0	112	Y637 L668 L671 R672 N924 M925 L958	Y637-V921 PolarHBondContact OH-N 2.99Å; L668-V921 HydrophobicContact CD2-CG2 3.87Å; L671-V921 HydrophobicContact CB-CB 4.29Å; L671-V921 HydrophobicContact CB-CG1 3.73Å; R672-V921 HydrophobicContact CG-CG1 3.7Å; V921-N924 PolarHBondContact O-N 2.84Å; V921-M925 WeakPolarHBondContact O-CB 3.14Å; V921-M925 VanDerWaalsContact O-CG 3.23Å; V921-M925 WeakPolarHBondContact O-CG 3.49Å; V921-M925 PolarHBondContact O-N 3.36Å; V921-L958 HydrophobicContact CG2-CD2 4.21Å
922	E	91.1	Very high	88.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.4	-39.6	177.8	-64.6	-172	151.4	0	0	112.2	C675 K789 P887 I916 V917 S920 N924 M925 V926	C675-E922 HydrophobicContact CB-CG 4.06Å; K789-E922 WeakPolarHBondContact CE-OE2 3.49Å; K789-E922 IonicContact NZ-OE1 3.8Å; K789-E922 PolarHBondContact NZ-OE1 3.15Å; K789-E922 IonicContact NZ-OE2 2.89Å; K789-E922 PolarHBondContact NZ-OE2 2.97Å; P887-E922 HydrophobicContact CG-CB 3.9Å; P887-E922 HydrophobicContact CG-CG 4.01Å; I916-E922 HydrophobicContact CG2-CB 4.22Å; V917-E922 PolarHBondContact N-OE2 3.45Å; S920-E922 PolarHBondContact O-N 2.95Å; S920-E922 WeakPolarHBondContact OG-CB 3.43Å; S920-E922 PolarHBondContact OG-N 2.97Å; S920-E922 VanDerWaalsContact OG-N 3.08Å; E922-N924 VanDerWaalsContact C-N 3.33Å; E922-M925 WeakPolarHBondContact O-CB 3.38Å; E922-M925 PolarHBondContact O-N 2.79Å; E922-V926 WeakPolarHBondContact O-CG2 2.8Å; E922-V926 PolarHBondContact O-N 2.92Å
923	E	91.4	Very high	87.1	Confident	39 Å²	39	41.3 Å²	41.3	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-42.2	176	-159	-161.3	136.8	0	0	110.4	I916 D919 S920 V926 K927	I916-E923 HydrophobicContact CG2-CB 4.16Å; I916-E923 HydrophobicContact CG2-CG 4.44Å; D919-E923 WeakPolarHBondContact CA-OE2 3.35Å; D919-E923 PolarHBondContact N-OE2 3.43Å; S920-E923 PolarHBondContact O-N 3.01Å; S920-E923 VanDerWaalsContact O-N 3.16Å; E923-V926 PolarHBondContact O-N 2.98Å; E923-K927 VanDerWaalsContact CD-NZ 3.34Å; E923-K927 WeakPolarHBondContact O-CG 3.42Å; E923-K927 PolarHBondContact O-N 3.13Å; E923-K927 WeakPolarHBondContact OE1-CE 3.29Å; E923-K927 IonicContact OE1-NZ 3.2Å; E923-K927 PolarHBondContact OE1-NZ 2.87Å
924	N	89.4	Confident	85.6	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-35.1	175.6	-69.3	-10.7	0	0	0	112.1	S920 V921 E922 K927 I928 L958 E960	S920-N924 PolarHBondContact O-N 3.12Å; V921-N924 PolarHBondContact O-N 2.84Å; E922-N924 VanDerWaalsContact C-N 3.33Å; N924-K927 PolarHBondContact O-N 3.06Å; N924-K927 PolarHBondContact OD1-NZ 3.2Å; N924-K927 VanDerWaalsContact OD1-NZ 3.09Å; N924-I928 VanDerWaalsContact O-CG1 3.31Å; N924-I928 WeakPolarHBondContact O-CG1 3.4Å; N924-I928 PolarHBondContact O-N 2.9Å; N924-L958 PolarHBondContact ND2-O 3.43Å; N924-E960 PolarHBondContact ND2-OE1 3.07Å
925	M	86.5	Confident	83.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-46.7	168.9	-76.6	178.9	63.8	0	0	111.9	R672 W889 V921 E922 I928 Q929 L958	R672-M925 VanDerWaalsContact CD-SD 3.54Å; R672-M925 HydrophobicContact CG-SD 4.14Å; R672-M925 PolarHBondContact NE-SD 3.43Å; W889-M925 HydrophobicContact CD2-CE 3.6Å; W889-M925 HydrophobicContact CE3-CE 3.73Å; W889-M925 HydrophobicContact CE3-CG 4.39Å; W889-M925 HydrophobicContact CG-CE 4.18Å; W889-M925 HydrophobicContact CH2-CE 3.96Å; W889-M925 HydrophobicContact CH2-CG 3.65Å; W889-M925 HydrophobicContact CH2-SD 3.77Å; W889-M925 HydrophobicContact CZ2-CE 3.86Å; W889-M925 HydrophobicContact CZ2-CG 4.35Å; W889-M925 HydrophobicContact CZ2-SD 3.85Å; W889-M925 HydrophobicContact CZ3-CE 3.9Å; W889-M925 HydrophobicContact CZ3-CG 3.69Å; W889-M925 HydrophobicContact CZ3-SD 4.16Å; V921-M925 WeakPolarHBondContact O-CB 3.14Å; V921-M925 VanDerWaalsContact O-CG 3.23Å; V921-M925 WeakPolarHBondContact O-CG 3.49Å; V921-M925 PolarHBondContact O-N 3.36Å; E922-M925 WeakPolarHBondContact O-CB 3.38Å; E922-M925 PolarHBondContact O-N 2.79Å; M925-I928 CarbonylContact O-C 3.59Å; M925-I928 PolarHBondContact O-N 3.11Å; M925-Q929 WeakPolarHBondContact O-CG 3.44Å; M925-Q929 PolarHBondContact O-N 3.03Å; M925-L958 HydrophobicContact CB-CD2 4.37Å; M925-L958 HydrophobicContact CG-CD2 3.49Å; M925-L958 VanDerWaalsContact CG-CD2 3.49Å
926	V	86.9	Confident	81.8	Confident	41 Å²	41	49.2 Å²	49.2	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-37.3	178.2	172.9	0	0	0	0	111.6	P887 I916 E922 E923 I928 Q929 K930	P887-V926 HydrophobicContact CB-CG2 4.18Å; I916-V926 HydrophobicContact CD1-CG2 3.64Å; I916-V926 HydrophobicContact CG1-CG2 4.19Å; E922-V926 WeakPolarHBondContact O-CG2 2.8Å; E922-V926 PolarHBondContact O-N 2.92Å; E923-V926 PolarHBondContact O-N 2.98Å; V926-I928 VanDerWaalsContact C-N 3.32Å; V926-I928 PolarHBondContact O-N 3.28Å; V926-Q929 PolarHBondContact O-N 3.1Å; V926-K930 WeakPolarHBondContact O-CB 3.39Å; V926-K930 PolarHBondContact O-N 3.42Å
927	K	86.8	Confident	79.7	Confident	105 Å²	105	54 Å²	54	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-42	171	-70.2	167	-167.7	157.5	0	111.4	E923 N924 K931	E923-K927 VanDerWaalsContact CD-NZ 3.34Å; E923-K927 WeakPolarHBondContact O-CG 3.42Å; E923-K927 PolarHBondContact O-N 3.13Å; E923-K927 WeakPolarHBondContact OE1-CE 3.29Å; E923-K927 IonicContact OE1-NZ 3.2Å; E923-K927 PolarHBondContact OE1-NZ 2.87Å; N924-K927 PolarHBondContact O-N 3.06Å; N924-K927 PolarHBondContact OD1-NZ 3.2Å; N924-K927 VanDerWaalsContact OD1-NZ 3.09Å; K927-K931 VanDerWaalsContact O-CB 3.3Å; K927-K931 WeakPolarHBondContact O-CB 3.23Å; K927-K931 PolarHBondContact O-N 3.18Å
928	I	81.4	Confident	77.2	Confident	15 Å²	15	61 Å²	61	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-40.6	177.2	-68.8	165	0	0	0	111.7	N924 M925 V926 K930 K931 K932 A957 L958	N924-I928 VanDerWaalsContact O-CG1 3.31Å; N924-I928 WeakPolarHBondContact O-CG1 3.4Å; N924-I928 PolarHBondContact O-N 2.9Å; M925-I928 CarbonylContact O-C 3.59Å; M925-I928 PolarHBondContact O-N 3.11Å; V926-I928 VanDerWaalsContact C-N 3.32Å; V926-I928 PolarHBondContact O-N 3.28Å; I928-K930 VanDerWaalsContact C-N 3.34Å; I928-K930 PolarHBondContact O-N 3Å; I928-K931 PolarHBondContact O-N 2.93Å; I928-K932 HydrophobicContact CG2-CD 3.92Å; I928-K932 HydrophobicContact CG2-CG 4.33Å; I928-K932 VanDerWaalsContact O-CB 3.28Å; I928-K932 WeakPolarHBondContact O-CB 3.5Å; I928-K932 VanDerWaalsContact O-CG 3.31Å; I928-K932 WeakPolarHBondContact O-CG 3.42Å; I928-K932 PolarHBondContact O-N 2.91Å; I928-A957 HydrophobicContact CD1-CB 3.93Å; I928-A957 HydrophobicContact CG1-CB 4.38Å; I928-L958 HydrophobicContact CD1-CD2 3.73Å; I928-L958 HydrophobicContact CD1-CG 3.59Å
929	Q	78.4	Confident	74.7	Confident	14 Å²	14	58.6 Å²	58.6	7%	0.065	28%	0.284	C	S	.	.	H	α-helix	trans	-55.5	-51.1	171.7	-74.3	174.1	-3.9	0	0	110	A888 E894 M925 V926 K932 Q933	A888-Q929 PolarHBondContact O-NE2 3.37Å; E894-Q929 PolarHBondContact OE1-NE2 2.84Å; M925-Q929 WeakPolarHBondContact O-CG 3.44Å; M925-Q929 PolarHBondContact O-N 3.03Å; V926-Q929 PolarHBondContact O-N 3.1Å; Q929-K932 CarbonylContact O-C 3.56Å; Q929-K932 PolarHBondContact O-N 3.06Å; Q929-K932 VanDerWaalsContact O-N 3.14Å; Q929-Q933 WeakPolarHBondContact O-CG 3.14Å; Q929-Q933 PolarHBondContact O-N 3.14Å
930	K	81.9	Confident	72.2	Confident	126 Å²	126	59.4 Å²	59.4	55%	0.548	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-45.9	179.1	-173.4	175.1	179.9	-179.6	0	111.3	V926 I928 K932 Q933 D934	V926-K930 WeakPolarHBondContact O-CB 3.39Å; V926-K930 PolarHBondContact O-N 3.42Å; I928-K930 VanDerWaalsContact C-N 3.34Å; I928-K930 PolarHBondContact O-N 3Å; K930-K932 PolarHBondContact O-N 3.2Å; K930-Q933 PolarHBondContact O-N 2.96Å; K930-Q933 VanDerWaalsContact O-N 3.13Å; K930-D934 WeakPolarHBondContact O-CB 3.43Å; K930-D934 PolarHBondContact O-N 2.96Å
931	K	77.9	Confident	69.6	Low	137 Å²	137	61.3 Å²	61.3	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-57.6	-37.1	173.5	-172.3	-177.9	178.2	-174.7	0	111.5	K927 I928 L935	K927-K931 VanDerWaalsContact O-CB 3.3Å; K927-K931 WeakPolarHBondContact O-CB 3.23Å; K927-K931 PolarHBondContact O-N 3.18Å; I928-K931 PolarHBondContact O-N 2.93Å; K931-L935 HydrophobicContact CG-CD1 3.98Å; K931-L935 HydrophobicContact CG-CG 4.44Å; K931-L935 WeakPolarHBondContact O-CB 3.39Å; K931-L935 WeakPolarHBondContact O-CD1 3.35Å; K931-L935 WeakPolarHBondContact O-CG 3.34Å; K931-L935 PolarHBondContact O-N 2.74Å
932	K	68.6	Low	66.9	Low	85 Å²	85	65 Å²	65	37%	0.37	33%	0.33	S	S	.	.	H	α-helix	trans	-76	-30.9	176.4	-76.3	178.4	179	178	0	113.4	I928 Q929 K930 V936 D954	I928-K932 HydrophobicContact CG2-CD 3.92Å; I928-K932 HydrophobicContact CG2-CG 4.33Å; I928-K932 VanDerWaalsContact O-CB 3.28Å; I928-K932 WeakPolarHBondContact O-CB 3.5Å; I928-K932 VanDerWaalsContact O-CG 3.31Å; I928-K932 WeakPolarHBondContact O-CG 3.42Å; I928-K932 PolarHBondContact O-N 2.91Å; Q929-K932 CarbonylContact O-C 3.56Å; Q929-K932 PolarHBondContact O-N 3.06Å; Q929-K932 VanDerWaalsContact O-N 3.14Å; K930-K932 PolarHBondContact O-N 3.2Å; K932-V936 VanDerWaalsContact O-CB 3.3Å; K932-V936 WeakPolarHBondContact O-CB 3.17Å; K932-V936 VanDerWaalsContact O-CG2 3.23Å; K932-V936 WeakPolarHBondContact O-CG2 3.14Å; K932-V936 PolarHBondContact O-N 3.21Å; K932-D954 VanDerWaalsContact CE-OD1 3.28Å; K932-D954 WeakPolarHBondContact CE-OD1 3.24Å; K932-D954 VanDerWaalsContact CE-OD2 3.29Å; K932-D954 WeakPolarHBondContact CE-OD2 3.2Å; K932-D954 VanDerWaalsContact NZ-CG 3.32Å; K932-D954 IonicContact NZ-OD1 3.3Å; K932-D954 PolarHBondContact NZ-OD1 3.42Å; K932-D954 IonicContact NZ-OD2 2.68Å; K932-D954 PolarHBondContact NZ-OD2 3.2Å
933	Q	65.4	Low	64.3	Low	86 Å²	86	68.3 Å²	68.3	40%	0.402	36%	0.357	S	S	.	.	H	α-helix	trans	-70.1	-49.8	170.1	-74.8	178.1	-46.4	0	0	110.1	P891 Q929 K930 L935 V936 E937	P891-Q933 HydrophobicContact CG-CG 4.14Å; Q929-Q933 WeakPolarHBondContact O-CG 3.14Å; Q929-Q933 PolarHBondContact O-N 3.14Å; K930-Q933 PolarHBondContact O-N 2.96Å; K930-Q933 VanDerWaalsContact O-N 3.13Å; Q933-L935 PolarHBondContact O-N 3.37Å; Q933-V936 PolarHBondContact O-N 2.73Å; Q933-E937 VanDerWaalsContact O-CA 3.25Å; Q933-E937 WeakPolarHBondContact O-CA 3.42Å; Q933-E937 WeakPolarHBondContact O-CG 3.31Å; Q933-E937 PolarHBondContact O-N 3.11Å
934	D	64.8	Low	61.7	Low	55 Å²	55	70.4 Å²	70.4	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-34.3	172.7	-66.1	2.7	0	0	0	111.8	K930 K938	K930-D934 WeakPolarHBondContact O-CB 3.43Å; K930-D934 PolarHBondContact O-N 2.96Å; D934-K938 VanDerWaalsContact O-CB 3.32Å; D934-K938 WeakPolarHBondContact O-CB 3.32Å; D934-K938 WeakPolarHBondContact O-CD 3.2Å; D934-K938 WeakPolarHBondContact O-CG 3.49Å; D934-K938 PolarHBondContact O-N 2.9Å
935	L	60.5	Low	59.3	Low	83 Å²	83	74.7 Å²	74.7	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-76.7	-50	175.5	-79.1	169.3	0	0	0	111.8	K931 Q933 E937 K938 A939	K931-L935 HydrophobicContact CG-CD1 3.98Å; K931-L935 HydrophobicContact CG-CG 4.44Å; K931-L935 WeakPolarHBondContact O-CB 3.39Å; K931-L935 WeakPolarHBondContact O-CD1 3.35Å; K931-L935 WeakPolarHBondContact O-CG 3.34Å; K931-L935 PolarHBondContact O-N 2.74Å; Q933-L935 PolarHBondContact O-N 3.37Å; L935-E937 PolarHBondContact O-N 2.99Å; L935-K938 CarbonylContact O-C 3.57Å; L935-K938 PolarHBondContact O-N 3.36Å; L935-A939 VanDerWaalsContact O-CA 3.25Å; L935-A939 WeakPolarHBondContact O-CA 3.48Å; L935-A939 WeakPolarHBondContact O-CB 3.36Å; L935-A939 PolarHBondContact O-N 3.39Å
936	V	51.9	Low	57.6	Low	82 Å²	82	78.6 Å²	78.6	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-57.2	-43.5	173.8	168	0	0	0	0	109.7	K932 Q933 K938 A939 F940	K932-V936 VanDerWaalsContact O-CB 3.3Å; K932-V936 WeakPolarHBondContact O-CB 3.17Å; K932-V936 VanDerWaalsContact O-CG2 3.23Å; K932-V936 WeakPolarHBondContact O-CG2 3.14Å; K932-V936 PolarHBondContact O-N 3.21Å; Q933-V936 PolarHBondContact O-N 2.73Å; V936-K938 PolarHBondContact O-N 3.35Å; V936-A939 PolarHBondContact O-N 3.35Å; V936-F940 HydrophobicContact CG1-CD2 4.32Å; V936-F940 HydrophobicContact CG1-CE2 3.58Å; V936-F940 HydrophobicContact CG1-CZ 4Å; V936-F940 WeakPolarHBondContact O-CD2 3.4Å
937	E	51.3	Low	56.2	Low	104 Å²	104	86 Å²	86	49%	0.486	45%	0.447	S	S	.	.	H	α-helix	trans	-31.4	-69.1	156.6	65.3	71.3	174.6	0	0	112	K199 Q933 L935	K199-E937 WeakPolarHBondContact CD-O 3.46Å; K199-E937 WeakPolarHBondContact CE-O 3.37Å; K199-E937 PolarHBondContact NZ-O 2.97Å; Q933-E937 VanDerWaalsContact O-CA 3.25Å; Q933-E937 WeakPolarHBondContact O-CA 3.42Å; Q933-E937 WeakPolarHBondContact O-CG 3.31Å; Q933-E937 PolarHBondContact O-N 3.11Å; L935-E937 PolarHBondContact O-N 2.99Å
938	K	41.6	Very low	54.7	Low	147 Å²	147	87 Å²	87	64%	0.639	45%	0.451	S	S	*	.	H	α-helix	trans	-86.1	-11.7	-172.1	-67.6	160.1	-165.7	167	0	115.5	D934 L935 V936	D934-K938 VanDerWaalsContact O-CB 3.32Å; D934-K938 WeakPolarHBondContact O-CB 3.32Å; D934-K938 WeakPolarHBondContact O-CD 3.2Å; D934-K938 WeakPolarHBondContact O-CG 3.49Å; D934-K938 PolarHBondContact O-N 2.9Å; L935-K938 CarbonylContact O-C 3.57Å; L935-K938 PolarHBondContact O-N 3.36Å; V936-K938 PolarHBondContact O-N 3.35Å
939	A	40	Very low	53.8	Low	25 Å²	25	89.2 Å²	89.2	21%	0.207	47%	0.465	C	S	.	.	H	α-helix	trans	-132	22.1	-154.3	0	0	0	0	0	115.3	L935 V936 G941 S942	L935-A939 VanDerWaalsContact O-CA 3.25Å; L935-A939 WeakPolarHBondContact O-CA 3.48Å; L935-A939 WeakPolarHBondContact O-CB 3.36Å; L935-A939 PolarHBondContact O-N 3.39Å; V936-A939 PolarHBondContact O-N 3.35Å; A939-G941 PolarHBondContact O-N 3.03Å; A939-S942 PolarHBondContact O-N 2.84Å
940	F	38.6	Very low	53.3	Low	92 Å²	92	91 Å²	91	40%	0.404	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-1.4	162.4	-91	-74.2	0	0	0	114.4	K199 V936	K199-F940 HydrophobicContact CG-CB 4.44Å; V936-F940 HydrophobicContact CG1-CD2 4.32Å; V936-F940 HydrophobicContact CG1-CE2 3.58Å; V936-F940 HydrophobicContact CG1-CZ 4Å; V936-F940 WeakPolarHBondContact O-CD2 3.4Å
941	G	36.5	Very low	52.6	Low	40 Å²	40	91 Å²	91	41%	0.412	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	10.9	169.1	0	0	0	0	0	116.5	A939	A939-G941 PolarHBondContact O-N 3.03Å
942	S	33.2	Very low	52.4	Low	79 Å²	79	86.2 Å²	86.2	55%	0.552	46%	0.456	S	S	*	.			trans	-79	131.8	176.1	74.1	0	0	0	0	111.3	A939	A939-S942 PolarHBondContact O-N 2.84Å
943	A	36.5	Very low	52.7	Low	69 Å²	69	85.8 Å²	85.8	57%	0.57	46%	0.458	S	S	*	.			trans	-51.2	152.8	173	0	0	0	0	0	112	T945	A943-T945 PolarHBondContact O-N 3.35Å
944	S	37.1	Very low	53.3	Low	83 Å²	83	83.3 Å²	83.3	58%	0.58	45%	0.448	S	S	*	.			trans	-64	96.8	-178.7	77.2	0	0	0	0	110.9	E41 D946	E41-S944 PolarHBondContact OE1-OG 3.28Å; S944-D946 PolarHBondContact O-N 3.47Å
945	T	40.5	Very low	53.9	Low	99 Å²	99	81 Å²	81	61%	0.607	44%	0.435	S	S	*	.			trans	-56.8	126.4	158.1	-33.3	0	0	0	0	105.8	A943 R947	A943-T945 PolarHBondContact O-N 3.35Å; T945-R947 PolarHBondContact O-N 2.97Å
946	D	50.7	Low	54.9	Low	83 Å²	83	81.6 Å²	81.6	44%	0.444	43%	0.432	S	S	.	.			trans	-48.2	120.9	-171.8	-176.8	-7.4	0	0	0	108.9	S944 K948 T949 S950	S944-D946 PolarHBondContact O-N 3.47Å; D946-K948 CarbonylContact O-C 3.52Å; D946-K948 PolarHBondContact O-N 3.4Å; D946-K948 WeakPolarHBondContact OD1-CB 3.42Å; D946-K948 WeakPolarHBondContact OD1-CG 3.48Å; D946-K948 PolarHBondContact OD1-N 2.87Å; D946-K948 VanDerWaalsContact OD1-N 3.12Å; D946-T949 HydrophobicContact CB-CG2 4.38Å; D946-T949 PolarHBondContact O-N 3.3Å; D946-T949 PolarHBondContact O-OG1 3.16Å; D946-S950 PolarHBondContact O-N 3.22Å; D946-S950 VanDerWaalsContact O-N 3.11Å
947	R	56.1	Low	56.4	Low	198 Å²	198	80 Å²	80	75%	0.747	43%	0.427	S	S	*	.	H	α-helix	trans	-55.1	-22.6	-175.1	-70.9	-178.8	174.1	-171.9	-2.8	111.2	T945 R951	T945-R947 PolarHBondContact O-N 2.97Å; R947-R951 VanDerWaalsContact O-CB 3.31Å; R947-R951 WeakPolarHBondContact O-CB 3.35Å; R947-R951 VanDerWaalsContact O-CD 3.28Å; R947-R951 WeakPolarHBondContact O-CD 3.34Å; R947-R951 WeakPolarHBondContact O-CG 3.24Å; R947-R951 PolarHBondContact O-N 2.93Å
948	K	55.4	Low	57.8	Low	125 Å²	125	75.4 Å²	75.4	54%	0.543	41%	0.406	S	S	.	.	H	α-helix	trans	-68.8	-49	172	-63.4	171.4	-172.2	162.9	0	113	L658 D946 R951 I952	L658-K948 HydrophobicContact CD1-CB 3.8Å; L658-K948 HydrophobicContact CD1-CD 4.33Å; L658-K948 HydrophobicContact CD1-CG 3.83Å; D946-K948 CarbonylContact O-C 3.52Å; D946-K948 PolarHBondContact O-N 3.4Å; D946-K948 WeakPolarHBondContact OD1-CB 3.42Å; D946-K948 WeakPolarHBondContact OD1-CG 3.48Å; D946-K948 PolarHBondContact OD1-N 2.87Å; D946-K948 VanDerWaalsContact OD1-N 3.12Å; K948-R951 PolarHBondContact O-N 3.36Å; K948-I952 WeakPolarHBondContact O-CD1 3.43Å; K948-I952 VanDerWaalsContact O-CG1 3.27Å; K948-I952 WeakPolarHBondContact O-CG1 3.26Å; K948-I952 PolarHBondContact O-N 3.37Å
949	T	63	Low	59.6	Low	61 Å²	61	68.5 Å²	68.5	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-67.4	-47.4	-180	53.7	0	0	0	0	110.5	D946 R951 I952 D953	D946-T949 HydrophobicContact CB-CG2 4.38Å; D946-T949 PolarHBondContact O-N 3.3Å; D946-T949 PolarHBondContact O-OG1 3.16Å; T949-R951 VanDerWaalsContact C-N 3.28Å; T949-R951 PolarHBondContact O-N 2.95Å; T949-I952 PolarHBondContact O-N 3.01Å; T949-D953 PolarHBondContact O-N 3.45Å
950	S	67.3	Low	61.2	Low	51 Å²	51	72.1 Å²	72.1	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-56.3	-39.6	175.5	169.9	0	0	0	0	112.8	D946 D953 D954	D946-S950 PolarHBondContact O-N 3.22Å; D946-S950 VanDerWaalsContact O-N 3.11Å; S950-D953 PolarHBondContact O-N 3.17Å; S950-D954 VanDerWaalsContact O-CG 3.25Å; S950-D954 PolarHBondContact O-N 2.97Å
951	R	67.8	Low	62	Low	128 Å²	128	71.4 Å²	71.4	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-38.6	174.4	-78.6	171.7	-178.7	-157.3	-3	113	R947 K948 T949 I955	R947-R951 VanDerWaalsContact O-CB 3.31Å; R947-R951 WeakPolarHBondContact O-CB 3.35Å; R947-R951 VanDerWaalsContact O-CD 3.28Å; R947-R951 WeakPolarHBondContact O-CD 3.34Å; R947-R951 WeakPolarHBondContact O-CG 3.24Å; R947-R951 PolarHBondContact O-N 2.93Å; K948-R951 PolarHBondContact O-N 3.36Å; T949-R951 VanDerWaalsContact C-N 3.28Å; T949-R951 PolarHBondContact O-N 2.95Å; R951-I955 WeakPolarHBondContact O-CD1 3.41Å; R951-I955 VanDerWaalsContact O-CG1 3.24Å; R951-I955 WeakPolarHBondContact O-CG1 3.46Å; R951-I955 PolarHBondContact O-N 2.67Å; R951-I955 VanDerWaalsContact O-N 3.13Å
952	I	72.9	Confident	63.3	Low	35 Å²	35	73 Å²	73	18%	0.179	39%	0.391	C	S	.	.	H	α-helix	trans	-67.4	-40.4	176.8	-69	163.2	0	0	0	110.2	V657 L658 K948 T949 I955 R956	V657-I952 HydrophobicContact CB-CG1 4.49Å; V657-I952 HydrophobicContact CG1-CG1 4.48Å; L658-I952 HydrophobicContact CD1-CD1 4.21Å; L658-I952 HydrophobicContact CD2-CG1 4.44Å; L658-I952 HydrophobicContact CG-CD1 4.25Å; L658-I952 HydrophobicContact CG-CG1 4.33Å; K948-I952 WeakPolarHBondContact O-CD1 3.43Å; K948-I952 VanDerWaalsContact O-CG1 3.27Å; K948-I952 WeakPolarHBondContact O-CG1 3.26Å; K948-I952 PolarHBondContact O-N 3.37Å; T949-I952 PolarHBondContact O-N 3.01Å; I952-I955 WeakPolarHBondContact O-CB 3.18Å; I952-I955 PolarHBondContact O-N 3Å; I952-R956 WeakPolarHBondContact O-CG 3.27Å; I952-R956 PolarHBondContact O-N 2.93Å
953	D	75.4	Confident	64.9	Low	76 Å²	76	72.6 Å²	72.6	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-71.5	-33.8	179	-63.2	-31.3	0	0	0	112.4	T949 S950 R956 A957	T949-D953 PolarHBondContact O-N 3.45Å; S950-D953 PolarHBondContact O-N 3.17Å; D953-R956 PolarHBondContact O-N 2.97Å; D953-R956 IonicContact OD1-CZ 3.5Å; D953-R956 IonicContact OD1-NH1 3Å; D953-R956 PolarHBondContact OD1-NH1 3.03Å; D953-A957 VanDerWaalsContact O-CB 3.3Å; D953-A957 WeakPolarHBondContact O-CB 3.32Å; D953-A957 PolarHBondContact O-N 3.24Å
954	D	78.1	Confident	66.5	Low	34 Å²	34	72.8 Å²	72.8	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-45.2	167.2	-75.1	-33.3	0	0	0	111.4	K932 S950 A957 L958	K932-D954 VanDerWaalsContact CE-OD1 3.28Å; K932-D954 WeakPolarHBondContact CE-OD1 3.24Å; K932-D954 VanDerWaalsContact CE-OD2 3.29Å; K932-D954 WeakPolarHBondContact CE-OD2 3.2Å; K932-D954 VanDerWaalsContact NZ-CG 3.32Å; K932-D954 IonicContact NZ-OD1 3.3Å; K932-D954 PolarHBondContact NZ-OD1 3.42Å; K932-D954 IonicContact NZ-OD2 2.68Å; K932-D954 PolarHBondContact NZ-OD2 3.2Å; S950-D954 VanDerWaalsContact O-CG 3.25Å; S950-D954 PolarHBondContact O-N 2.97Å; D954-A957 PolarHBondContact O-N 3.38Å; D954-L958 VanDerWaalsContact O-CG 3.29Å; D954-L958 WeakPolarHBondContact O-CG 3.28Å; D954-L958 PolarHBondContact O-N 2.73Å
955	I	77.4	Confident	68.2	Low	7 Å²	7	72.2 Å²	72.2	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-43.1	178.7	-69.2	161	0	0	0	111.3	I648 V657 Y661 V664 R951 I952 L958	I648-I955 HydrophobicContact CG2-CG2 3.88Å; V657-I955 HydrophobicContact CG1-CD1 3.73Å; Y661-I955 HydrophobicContact CD2-CD1 3.99Å; Y661-I955 HydrophobicContact CE2-CD1 3.72Å; V664-I955 HydrophobicContact CG1-CD1 4.07Å; V664-I955 HydrophobicContact CG1-CG1 4.06Å; V664-I955 HydrophobicContact CG1-CG2 3.71Å; R951-I955 WeakPolarHBondContact O-CD1 3.41Å; R951-I955 VanDerWaalsContact O-CG1 3.24Å; R951-I955 WeakPolarHBondContact O-CG1 3.46Å; R951-I955 PolarHBondContact O-N 2.67Å; R951-I955 VanDerWaalsContact O-N 3.13Å; I952-I955 WeakPolarHBondContact O-CB 3.18Å; I952-I955 PolarHBondContact O-N 3Å; I955-L958 PolarHBondContact O-N 3.06Å
956	R	81.5	Confident	69.9	Low	96 Å²	96	70.6 Å²	70.6	36%	0.362	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-47.2	173.5	-72.6	171.1	173.2	153.9	-8.5	111.4	I952 D953 L958 L959 E960 V961	I952-R956 WeakPolarHBondContact O-CG 3.27Å; I952-R956 PolarHBondContact O-N 2.93Å; D953-R956 PolarHBondContact O-N 2.97Å; D953-R956 IonicContact OD1-CZ 3.5Å; D953-R956 IonicContact OD1-NH1 3Å; D953-R956 PolarHBondContact OD1-NH1 3.03Å; R956-L958 VanDerWaalsContact C-N 3.32Å; R956-L958 PolarHBondContact O-N 3.34Å; R956-L959 PolarHBondContact O-N 3.26Å; R956-E960 WeakPolarHBondContact O-CA 3.48Å; R956-E960 PolarHBondContact O-N 3.34Å; R956-V961 WeakPolarHBondContact CB-O 3.26Å; R956-V961 WeakPolarHBondContact CG-O 3.47Å; R956-V961 PolarHBondContact O-N 3.2Å
957	A	83.1	Confident	71.2	Confident	49 Å²	49	69.7 Å²	69.7	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-30	-179.4	0	0	0	0	0	113.7	I928 D953 D954	I928-A957 HydrophobicContact CD1-CB 3.93Å; I928-A957 HydrophobicContact CG1-CB 4.38Å; D953-A957 VanDerWaalsContact O-CB 3.3Å; D953-A957 WeakPolarHBondContact O-CB 3.32Å; D953-A957 PolarHBondContact O-N 3.24Å; D954-A957 PolarHBondContact O-N 3.38Å
958	L	81.4	Confident	72.3	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-35.9	176.9	-76.7	161.8	0	0	0	113.2	L668 W889 V921 N924 M925 I928 D954 I955 R956	L668-L958 HydrophobicContact CD1-CD1 3.88Å; L668-L958 HydrophobicContact CD2-CB 4.02Å; L668-L958 HydrophobicContact CD2-CD1 4.17Å; W889-L958 HydrophobicContact CH2-CD1 3.53Å; W889-L958 HydrophobicContact CH2-CD2 3.82Å; W889-L958 HydrophobicContact CH2-CG 4.34Å; W889-L958 HydrophobicContact CZ3-CD1 3.86Å; W889-L958 HydrophobicContact CZ3-CD2 3.99Å; V921-L958 HydrophobicContact CG2-CD2 4.21Å; N924-L958 PolarHBondContact ND2-O 3.43Å; M925-L958 HydrophobicContact CB-CD2 4.37Å; M925-L958 HydrophobicContact CG-CD2 3.49Å; M925-L958 VanDerWaalsContact CG-CD2 3.49Å; I928-L958 HydrophobicContact CD1-CD2 3.73Å; I928-L958 HydrophobicContact CD1-CG 3.59Å; D954-L958 VanDerWaalsContact O-CG 3.29Å; D954-L958 WeakPolarHBondContact O-CG 3.28Å; D954-L958 PolarHBondContact O-N 2.73Å; I955-L958 PolarHBondContact O-N 3.06Å; R956-L958 VanDerWaalsContact C-N 3.32Å; R956-L958 PolarHBondContact O-N 3.34Å
959	L	78.6	Confident	73.6	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-114	-1.6	-171.3	-70.1	165.3	0	0	0	114.1	R645 I648 L668 L671 R956 V961	R645-L959 VanDerWaalsContact CZ-O 3.32Å; R645-L959 PolarHBondContact NE-O 2.95Å; R645-L959 PolarHBondContact NH2-O 3.48Å; I648-L959 HydrophobicContact CB-CD1 4.26Å; I648-L959 HydrophobicContact CD1-CD1 3.23Å; I648-L959 HydrophobicContact CG1-CD1 4.3Å; I648-L959 HydrophobicContact CG2-CD1 4.18Å; L668-L959 HydrophobicContact CD2-CD1 4.06Å; L668-L959 HydrophobicContact CD2-CD2 4.25Å; L668-L959 HydrophobicContact CD2-CG 4.02Å; L671-L959 HydrophobicContact CD1-CD2 3.59Å; R956-L959 PolarHBondContact O-N 3.26Å; L959-V961 HydrophobicContact CB-CG2 3.65Å
960	E	75	Confident	74.5	Confident	100 Å²	100	55.2 Å²	55.2	47%	0.467	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	59.8	-171.5	-51.5	126.5	-170.5	0	0	111.3	R641 R645 N924 R956	R641-E960 IonicContact CZ-OE2 3.83Å; R641-E960 IonicContact NH2-OE1 3.13Å; R641-E960 PolarHBondContact NH2-OE1 3.45Å; R641-E960 IonicContact NH2-OE2 2.71Å; R641-E960 PolarHBondContact NH2-OE2 3.46Å; R645-E960 IonicContact NH2-OE2 2.75Å; R645-E960 PolarHBondContact NH2-OE2 3.48Å; N924-E960 PolarHBondContact ND2-OE1 3.07Å; R956-E960 WeakPolarHBondContact O-CA 3.48Å; R956-E960 PolarHBondContact O-N 3.34Å
961	V	55.4	Low	75.1	Confident	77 Å²	77	55.5 Å²	55.5	47%	0.467	28%	0.276	S	S	.	.			trans	-108	0	-179.1	177.9	0	0	0	0	111.2	R645 V652 R956 L959	R645-V961 HydrophobicContact CG-CG2 3.98Å; V652-V961 HydrophobicContact CG2-CG1 4.27Å; R956-V961 WeakPolarHBondContact CB-O 3.26Å; R956-V961 WeakPolarHBondContact CG-O 3.47Å; R956-V961 PolarHBondContact O-N 3.2Å; L959-V961 HydrophobicContact CB-CG2 3.65Å

Retrieved 961 of 961 residues in 6147.6 ms (Link to these results)

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