A0A077YYI2_TRITR Loading...

Exostosin 3

AlphaFold DB , UniProt , Accession A0A077YYI2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 861 aa.

						>A0A077YYI2_TRITR|A0A077YYI2
MLFSLYLYSPFLCQCSECRKFCALELPGADLSAVKHSDRARRCDPATLEELEKRNLQDLVRLKGSILNELLSLEEKRNALLVELGLLRNHANNLQANVHTIVRSLNTLKTAIANAQDAYRDAVSANYPEVYLPLTFPKPFEIGDQIEVSSLAKMPCRFDTCWNYAPCPITAPFSVIVPTAVVGEPTMVGAKVVQSLQLNFLTEIAHPACVNISVASSFSALTSLRLKVENVSVNNFCFFVGDDVQKMISSDIDELILGSSWFSSAWSSTWHMVMPDLQYSVEYGGCSTDQLPLLTPARRSYLLSVFNLQRFNEKTTYFPMEQVAEVLKSMLSSRTSDSFYFASNCSLSVARKIDSQLPCINQLNDVVNVLKNSTFTLVYELDFRLASTPNTQNHIVEAVKFGAIPVLLGEHLRLPFDEVLDWRRASIRIPVARITELHFLLRSLSDGEILELRRNGRSFWQQYMCNTDRIVVTALNVLRHRLGIQPSPIDDVIVPQMYNASAPMPVSDMPPVVNTLDSSEFLGPVETPHKSAVFSRNYSQVSLHSYDWWNVYVAPFRLYPNDPFAEALPSEAKFRGSHFGFRPIDGGRGGSGKEFSKALGGNFPKEQFTVVMLTYNREQVLIQALLRLAELPYLNKVIVVWNGESDPSIDLVWPKLTAPIVLRPGKNSLNNRFLPFAEIETEAILSIDDDVQLRHDEIIFAFRAWRESRRRIVGFPGRFHSWTNHTWYYNSSHSCELSMVLTGAAFIHKHYFYLYTYWMPQAIRDIVDEVMNCEDVAMNFLVAHVTRLPPLKVTSRWTFACPMCSNTLSNSESHYWKRHRCLSVLMDIYGYNPLLNTQLRADSVLFKTKIPAQHQKCFKFV
					

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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	31.1	Very low	27.8	Very low	239 Å²	239	160.5 Å²	160.5	100%	1.177	80%	0.799	S	S	*	*				0	118.1	0	-87.3	179.6	164.9	0	0	107.7
2	L	33.2	Very low	27.8	Very low	163 Å²	163	160.8 Å²	160.8	85%	0.853	80%	0.804	S	S	*	*			trans	60	87.5	170.6	-63.3	156.9	0	0	0	115.7
3	F	28	Very low	27.7	Very low	187 Å²	187	158.2 Å²	158.2	82%	0.82	81%	0.809	S	S	*	*				50.4	106.1	84.2	-79.6	-92	0	0	0	112.3
4	S	23.6	Very low	27.9	Very low	96 Å²	96	160.1 Å²	160.1	67%	0.671	81%	0.812	S	S	*	*				64.2	138.2	72.1	-163.7	0	0	0	0	114.4
5	L	28.9	Very low	28	Very low	137 Å²	137	157.3 Å²	157.3	72%	0.717	81%	0.811	S	S	*	*			trans	97.1	105	167.9	-61.2	142.5	0	0	0	115.3
6	Y	24.7	Very low	28.6	Very low	207 Å²	207	153.8 Å²	153.8	81%	0.812	81%	0.805	S	S	*	*				63.9	110.9	77.9	-89.1	-77.4	0	0	0	112.6
7	L	26.5	Very low	28.9	Very low	131 Å²	131	152.5 Å²	152.5	69%	0.686	79%	0.794	S	S	*	*				154.4	140.2	116.6	-86.4	151.7	0	0	0	114.6
8	Y	27.4	Very low	29.1	Very low	200 Å²	200	151.3 Å²	151.3	78%	0.784	80%	0.799	S	S	*	*			trans	75.2	111.7	152.5	-69.2	-63.9	0	0	0	121.9
9	S	26.7	Very low	29.2	Very low	90 Å²	90	154.9 Å²	154.9	63%	0.629	80%	0.8	S	S	*	*			trans	-41.4	155.7	145.6	56.2	0	0	0	0	114.1
10	P	28.8	Very low	29.4	Very low	122 Å²	122	155.2 Å²	155.2	79%	0.792	80%	0.795	S	S	*	*				-136.7	154.8	91.6	33.2	-18.6	0	0	0	115
11	F	26.6	Very low	29.4	Very low	194 Å²	194	157.5 Å²	157.5	85%	0.851	80%	0.8	S	S	*	*			trans	-48.3	135.1	163.5	-80.2	-109.8	0	0	0	112.7
12	L	28.4	Very low	29.1	Very low	163 Å²	163	152.3 Å²	152.3	85%	0.853	79%	0.786	S	S	*	*				-179.5	113.4	119.9	-97.1	152.5	0	0	0	109.2	Q14	L12-Q14 PolarHBondContact O-N 3.23Å
13	C	25.9	Very low	28.8	Very low	128 Å²	128	149 Å²	149	87%	0.865	78%	0.782	S	S	*	*			trans	-60.6	112.9	159.9	-79	0	0	0	0	108.9
14	Q	31.5	Very low	28.8	Very low	184 Å²	184	148.5 Å²	148.5	86%	0.86	79%	0.787	S	S	*	*			trans	-154.1	91.5	148	-107.3	173.2	12.7	0	0	109	L12	L12-Q14 PolarHBondContact O-N 3.23Å
15	C	28.7	Very low	28.8	Very low	118 Å²	118	153.3 Å²	153.3	80%	0.797	80%	0.799	S	S	*	*			trans	30.8	99.1	145.6	-138.9	0	0	0	0	118.1
16	S	38.3	Very low	28.7	Very low	101 Å²	101	154.9 Å²	154.9	71%	0.706	81%	0.807	S	S	*	*			trans	-101.2	13.1	168.5	64.7	0	0	0	0	114.1	C18 R19	S16-C18 PolarHBondContact O-N 2.78Å; S16-R19 WeakPolarHBondContact O-CB 3.35Å; S16-R19 PolarHBondContact O-N 3.37Å; S16-R19 VanDerWaalsContact O-N 3.13Å
17	E	33.4	Very low	29.3	Very low	133 Å²	133	150.9 Å²	150.9	62%	0.621	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-75.1	0.8	174.4	-83.2	-139.4	135.5	0	0	114.6	R19 K20	E17-R19 PolarHBondContact O-N 3.33Å; E17-R19 VanDerWaalsContact O-N 3.1Å; E17-K20 IonicContact OE1-NZ 2.77Å; E17-K20 PolarHBondContact OE1-NZ 3.2Å
18	C	31.8	Very low	29.3	Very low	130 Å²	130	148.1 Å²	148.1	88%	0.878	81%	0.81	S	S	*	*	G	3₁₀ helix	trans	-66.8	2.7	158.4	-77.8	0	0	0	0	113.7	S16	S16-C18 PolarHBondContact O-N 2.78Å
19	R	31.3	Very low	29.3	Very low	221 Å²	221	143.6 Å²	143.6	83%	0.834	81%	0.813	S	S	*	*	G	3₁₀ helix	trans	-96.7	9.4	175.6	-108.1	-177.6	-174.1	-172.9	1.9	116.4	S16 E17	S16-R19 WeakPolarHBondContact O-CB 3.35Å; S16-R19 PolarHBondContact O-N 3.37Å; S16-R19 VanDerWaalsContact O-N 3.13Å; E17-R19 PolarHBondContact O-N 3.33Å; E17-R19 VanDerWaalsContact O-N 3.1Å
20	K	34	Very low	29.2	Very low	159 Å²	159	146.6 Å²	146.6	69%	0.691	82%	0.823	S	S	*	*	S	Bend	trans	-94.4	11	176.3	-86.3	-178.8	-178.4	160.8	0	116.5	E17	E17-K20 IonicContact OE1-NZ 2.77Å; E17-K20 PolarHBondContact OE1-NZ 3.2Å
21	F	27.9	Very low	29.3	Very low	204 Å²	204	148.7 Å²	148.7	90%	0.895	83%	0.826	S	S	*	*	S	Bend	trans	-108.5	7.3	174.5	-102.7	-77	0	0	0	116.8
22	C	25.3	Very low	29.4	Very low	131 Å²	131	144 Å²	144	89%	0.885	82%	0.818	S	S	*	*			trans	-131.6	75.6	170.8	-71.5	0	0	0	0	110.8
23	A	26.5	Very low	29.4	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	81%	0.814	S	S	*	*			trans	-149.6	79.5	165.9	0	0	0	0	0	109.1
24	L	28.3	Very low	29.8	Very low	176 Å²	176	141.8 Å²	141.8	92%	0.921	82%	0.816	S	S	*	*			trans	-155.5	63.3	163.6	-107	166.1	0	0	0	108.9
25	E	24.5	Very low	29.6	Very low	197 Å²	197	141.6 Å²	141.6	92%	0.921	81%	0.812	S	S	*	*			trans	-136	102.7	152.8	-78.4	-169.6	164.6	0	0	107.5
26	L	26.9	Very low	29.5	Very low	171 Å²	171	144 Å²	144	90%	0.895	81%	0.812	S	S	*	*			trans	-119.3	150.2	157	-92.3	167.9	0	0	0	107.6
27	P	36.8	Very low	29.2	Very low	122 Å²	122	144.3 Å²	144.3	79%	0.792	81%	0.814	S	S	*	*			trans	-91.5	158.2	-156.2	36.9	-35.9	0	0	0	113.1
28	G	25.7	Very low	29.1	Very low	74 Å²	74	145.3 Å²	145.3	76%	0.763	82%	0.823	S	S	*	*			trans	166.1	119.8	161.7	0	0	0	0	0	115.6
29	A	28.6	Very low	29.2	Very low	104 Å²	104	150.3 Å²	150.3	86%	0.86	82%	0.823	S	S	*	*			trans	85.4	100.5	151.7	0	0	0	0	0	119.6
30	D	24.1	Very low	29.5	Very low	154 Å²	154	144.9 Å²	144.9	82%	0.824	83%	0.826	S	S	*	*			trans	-13.7	138.1	135.1	-73.8	-53.1	0	0	0	117.3
31	L	31.4	Very low	29.8	Very low	166 Å²	166	148 Å²	148	87%	0.869	83%	0.834	S	S	*	*				-169.5	96.3	128.7	-99	151.5	0	0	0	110.5
32	S	27.1	Very low	30.4	Very low	96 Å²	96	150.3 Å²	150.3	67%	0.671	84%	0.836	S	S	*	*			trans	23.9	127	137.3	62.3	0	0	0	0	121.7
33	A	28.4	Very low	31.1	Very low	93 Å²	93	149.2 Å²	149.2	77%	0.769	83%	0.829	S	S	*	*				73.4	107.5	124.7	0	0	0	0	0	120.5
34	V	35.1	Very low	32.1	Very low	150 Å²	150	150.7 Å²	150.7	91%	0.909	82%	0.824	S	S	*	*			trans	-141.2	120.9	131.7	-177.7	0	0	0	0	109.6
35	K	27.1	Very low	33.3	Very low	180 Å²	180	147.1 Å²	147.1	78%	0.783	81%	0.811	S	S	*	*			trans	-101.2	151.9	171.9	-92.6	-177	174	179.9	0	109.9
36	H	27.6	Very low	34.7	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.787	80%	0.801	S	S	*	*			trans	69.5	142.6	162.7	-62.8	-53.3	0	0	0	116
37	S	31.5	Very low	36.1	Very low	107 Å²	107	137.8 Å²	137.8	75%	0.748	78%	0.784	S	S	*	*			cis	-156.7	152.1	30.5	59.3	0	0	0	0	112.9
38	D	30.8	Very low	37.1	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	77%	0.768	S	S	*	*			trans	-50.5	139.7	164.2	-67	-59.9	0	0	0	114.4
39	R	35.4	Very low	39	Very low	235 Å²	235	139.9 Å²	139.9	89%	0.887	77%	0.765	S	S	*	*			trans	-156.2	100.5	146.8	-116.3	175.6	-178.3	-178.3	0.3	110.5	R41	R39-R41 PolarHBondContact O-N 3.07Å
40	A	36.7	Very low	40.8	Very low	108 Å²	108	141.6 Å²	141.6	89%	0.893	76%	0.755	S	S	*	*			trans	-59.3	113.2	166.6	0	0	0	0	0	110
41	R	39.6	Very low	43	Very low	225 Å²	225	139.1 Å²	139.1	85%	0.849	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-99.3	124.2	165.4	-73.8	-173.8	-175.4	-177.4	2.3	108.1	R39 C43	R39-R41 PolarHBondContact O-N 3.07Å; R41-C43 PolarHBondContact O-N 3.49Å
42	R	40.7	Very low	45	Very low	252 Å²	252	136.2 Å²	136.2	95%	0.951	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-61.6	121.3	168.8	-69.1	177.2	-177.7	-178.2	-0.6	107.8
43	C	40.9	Very low	47.4	Very low	108 Å²	108	139.1 Å²	139.1	73%	0.73	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-87.2	119.6	176.4	-66.4	0	0	0	0	109.5	R41	R41-C43 PolarHBondContact O-N 3.49Å
44	D	47	Very low	49.7	Very low	124 Å²	124	143 Å²	143	66%	0.663	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-78.4	126.5	167.4	-99.2	-37.5	0	0	0	109.6	A46 T47	D44-A46 VanDerWaalsContact C-N 3.27Å; D44-A46 PolarHBondContact O-N 3.23Å; D44-T47 PolarHBondContact O-N 3.15Å; D44-T47 VanDerWaalsContact O-N 3.15Å; D44-T47 PolarHBondContact O-OG1 3.19Å
45	P	53.6	Low	51.9	Low	101 Å²	101	139.7 Å²	139.7	66%	0.656	70%	0.696	S	S	*	*	H	α-helix	trans	-63.9	-25.5	-169.6	21.4	-31.2	0	0	0	114.3	T47 L48	P45-T47 VanDerWaalsContact C-N 3.25Å; P45-T47 PolarHBondContact O-N 3.33Å; P45-L48 PolarHBondContact O-N 2.91Å
46	A	54.3	Low	54.4	Low	85 Å²	85	136.6 Å²	136.6	70%	0.702	69%	0.688	S	S	*	*	H	α-helix	trans	-68.4	-23	178.5	0	0	0	0	0	113.5	D44	D44-A46 VanDerWaalsContact C-N 3.27Å; D44-A46 PolarHBondContact O-N 3.23Å
47	T	56.7	Low	56.9	Low	87 Å²	87	135.2 Å²	135.2	53%	0.534	68%	0.682	S	S	.	*	H	α-helix	trans	-83.7	-17.3	176.7	59.1	0	0	0	0	113.1	D44 P45 L51	D44-T47 PolarHBondContact O-N 3.15Å; D44-T47 VanDerWaalsContact O-N 3.15Å; D44-T47 PolarHBondContact O-OG1 3.19Å; P45-T47 VanDerWaalsContact C-N 3.25Å; P45-T47 PolarHBondContact O-N 3.33Å; T47-L51 WeakPolarHBondContact O-CB 3.48Å; T47-L51 PolarHBondContact O-N 3.41Å
48	L	57.9	Low	59.4	Low	89 Å²	89	134.4 Å²	134.4	47%	0.466	67%	0.669	S	S	.	*	H	α-helix	trans	-74	-42.8	-173.9	-164.6	69.3	0	0	0	112	P45 E50 L51 E52	P45-L48 PolarHBondContact O-N 2.91Å; L48-E50 PolarHBondContact O-N 3.27Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-E52 WeakPolarHBondContact O-CB 3.3Å; L48-E52 VanDerWaalsContact O-CG 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.47Å; L48-E52 PolarHBondContact O-N 2.83Å
49	E	64.8	Low	61.9	Low	150 Å²	150	132.5 Å²	132.5	70%	0.701	66%	0.658	S	S	*	*	H	α-helix	trans	-66.1	-38.3	179.6	-75.7	-171.6	162.6	0	0	113.2	K53	E49-K53 PolarHBondContact O-N 3.47Å
50	E	67.2	Low	64.2	Low	140 Å²	140	125.9 Å²	125.9	65%	0.654	64%	0.644	S	S	*	*	H	α-helix	trans	-69.6	-37.7	175.8	-74.1	-167.6	155.9	0	0	112	L48 R54	L48-E50 PolarHBondContact O-N 3.27Å; E50-R54 PolarHBondContact O-N 3Å; E50-R54 VanDerWaalsContact O-N 3.07Å
51	L	69.9	Low	66.5	Low	103 Å²	103	130.3 Å²	130.3	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-67	-41.7	175.4	-150.8	100.5	0	0	0	110.9	T47 L48 R54 N55	T47-L51 WeakPolarHBondContact O-CB 3.48Å; T47-L51 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 3.44Å; L51-R54 PolarHBondContact O-N 3.36Å; L51-N55 VanDerWaalsContact O-CB 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.46Å; L51-N55 PolarHBondContact O-N 2.85Å; L51-N55 PolarHBondContact O-ND2 2.89Å
52	E	73.8	Confident	68.7	Low	105 Å²	105	124.4 Å²	124.4	49%	0.491	62%	0.622	S	S	.	*	H	α-helix	trans	-62.5	-44.5	175.7	-78.4	178.8	179.6	0	0	111.7	L48 N55 L56	L48-E52 WeakPolarHBondContact O-CB 3.3Å; L48-E52 VanDerWaalsContact O-CG 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.47Å; L48-E52 PolarHBondContact O-N 2.83Å; E52-N55 PolarHBondContact O-N 3.38Å; E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 2.87Å
53	K	76.6	Confident	70.8	Confident	157 Å²	157	119.2 Å²	119.2	68%	0.683	61%	0.606	S	S	*	*	H	α-helix	trans	-61.4	-43.5	175.1	-90.1	-178.6	178.2	169.5	0	112.9	E49 L56 Q57	E49-K53 PolarHBondContact O-N 3.47Å; K53-L56 PolarHBondContact O-N 2.88Å; K53-Q57 WeakPolarHBondContact O-CG 3.37Å; K53-Q57 PolarHBondContact O-N 3.16Å
54	R	77.1	Confident	72.9	Confident	174 Å²	174	115.5 Å²	115.5	66%	0.657	59%	0.586	S	S	*	*	H	α-helix	trans	-64.6	-45.8	176.1	-78.7	-175.2	178.3	-179.1	2.4	111.6	E50 L51 L56 Q57 D58	E50-R54 PolarHBondContact O-N 3Å; E50-R54 VanDerWaalsContact O-N 3.07Å; L51-R54 PolarHBondContact O-N 3.36Å; R54-L56 VanDerWaalsContact C-N 3.29Å; R54-L56 PolarHBondContact O-N 3.39Å; R54-Q57 PolarHBondContact O-N 2.99Å; R54-Q57 VanDerWaalsContact O-N 3.16Å; R54-D58 PolarHBondContact O-N 3.09Å
55	N	80.2	Confident	74.9	Confident	81 Å²	81	112.6 Å²	112.6	43%	0.433	58%	0.575	S	S	.	*	H	α-helix	trans	-60.3	-39.5	176.3	-71.7	-17.5	0	0	0	111.7	L51 E52 D58 L59	L51-N55 VanDerWaalsContact O-CB 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.46Å; L51-N55 PolarHBondContact O-N 2.85Å; L51-N55 PolarHBondContact O-ND2 2.89Å; E52-N55 PolarHBondContact O-N 3.38Å; N55-D58 PolarHBondContact O-N 3.45Å; N55-L59 VanDerWaalsContact O-CB 3.31Å; N55-L59 WeakPolarHBondContact O-CB 3.31Å; N55-L59 WeakPolarHBondContact O-CD1 3.31Å; N55-L59 VanDerWaalsContact O-CG 3.25Å; N55-L59 WeakPolarHBondContact O-CG 3.25Å; N55-L59 PolarHBondContact O-N 3.43Å
56	L	80.2	Confident	76.5	Confident	115 Å²	115	112.3 Å²	112.3	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-65.6	-41.2	175.5	-119.6	134.2	0	0	0	112	E52 K53 R54 L59 V60	E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 2.87Å; K53-L56 PolarHBondContact O-N 2.88Å; R54-L56 VanDerWaalsContact C-N 3.29Å; R54-L56 PolarHBondContact O-N 3.39Å; L56-L59 PolarHBondContact O-N 3.31Å; L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.35Å
57	Q	81.2	Confident	78.1	Confident	141 Å²	141	112.6 Å²	112.6	66%	0.659	56%	0.557	S	S	*	*	H	α-helix	trans	-65.2	-42.9	175.3	-77.7	-177.6	-15.7	0	0	112.2	K53 R54 V60 R61	K53-Q57 WeakPolarHBondContact O-CG 3.37Å; K53-Q57 PolarHBondContact O-N 3.16Å; R54-Q57 PolarHBondContact O-N 2.99Å; R54-Q57 VanDerWaalsContact O-N 3.16Å; Q57-V60 PolarHBondContact O-N 2.85Å; Q57-R61 WeakPolarHBondContact O-CB 3.3Å; Q57-R61 PolarHBondContact O-N 3.3Å
58	D	83.9	Confident	79.6	Confident	89 Å²	89	113.7 Å²	113.7	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-64.2	-40.9	176.2	-74.3	-22.6	0	0	0	111.2	R54 N55 R61 L62	R54-D58 PolarHBondContact O-N 3.09Å; N55-D58 PolarHBondContact O-N 3.45Å; D58-R61 PolarHBondContact O-N 3.32Å; D58-L62 WeakPolarHBondContact O-CB 3.2Å; D58-L62 VanDerWaalsContact O-CG 3.3Å; D58-L62 WeakPolarHBondContact O-CG 3.26Å; D58-L62 PolarHBondContact O-N 2.93Å
59	L	82.6	Confident	81.2	Confident	114 Å²	114	115.4 Å²	115.4	60%	0.597	57%	0.565	S	S	*	*	H	α-helix	trans	-62.3	-41.1	173.4	-79.5	165.1	0	0	0	112.4	N55 L56 K63	N55-L59 VanDerWaalsContact O-CB 3.31Å; N55-L59 WeakPolarHBondContact O-CB 3.31Å; N55-L59 WeakPolarHBondContact O-CD1 3.31Å; N55-L59 VanDerWaalsContact O-CG 3.25Å; N55-L59 WeakPolarHBondContact O-CG 3.25Å; N55-L59 PolarHBondContact O-N 3.43Å; L56-L59 PolarHBondContact O-N 3.31Å; L59-K63 WeakPolarHBondContact O-CB 3.3Å; L59-K63 PolarHBondContact O-N 3.49Å
60	V	84	Confident	82.4	Confident	96 Å²	96	113 Å²	113	58%	0.582	56%	0.556	S	S	*	*	H	α-helix	trans	-65.6	-41.3	175.9	169.9	0	0	0	0	111	L56 Q57 K63 G64	L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.35Å; Q57-V60 PolarHBondContact O-N 2.85Å; V60-K63 PolarHBondContact O-N 2.97Å; V60-G64 PolarHBondContact O-N 2.88Å
61	R	84.9	Confident	83.5	Confident	200 Å²	200	111.2 Å²	111.2	76%	0.755	55%	0.551	S	S	*	*	H	α-helix	trans	-65.3	-45.9	176.6	-175.1	179.4	177.1	161.3	0.6	111.8	Q57 D58 K63 G64 S65	Q57-R61 WeakPolarHBondContact O-CB 3.3Å; Q57-R61 PolarHBondContact O-N 3.3Å; D58-R61 PolarHBondContact O-N 3.32Å; R61-K63 VanDerWaalsContact C-N 3.35Å; R61-G64 PolarHBondContact O-N 3.23Å; R61-S65 PolarHBondContact O-N 2.85Å
62	L	85.2	Confident	84.5	Confident	102 Å²	102	108.7 Å²	108.7	53%	0.534	54%	0.542	S	S	.	.	H	α-helix	trans	-61	-44.6	175.3	-76.9	166.3	0	0	0	110.9	D58 G64 S65 I66	D58-L62 WeakPolarHBondContact O-CB 3.2Å; D58-L62 VanDerWaalsContact O-CG 3.3Å; D58-L62 WeakPolarHBondContact O-CG 3.26Å; D58-L62 PolarHBondContact O-N 2.93Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-G64 PolarHBondContact O-N 2.94Å; L62-S65 PolarHBondContact O-N 2.93Å; L62-I66 WeakPolarHBondContact O-CB 3.25Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.46Å; L62-I66 PolarHBondContact O-N 3.06Å
63	K	85.6	Confident	85.3	Confident	143 Å²	143	109 Å²	109	62%	0.622	55%	0.546	S	S	*	.	H	α-helix	trans	-58.8	-43.3	175.2	-176.8	-179.5	177.4	-177.7	0	111.7	L59 V60 R61 L67	L59-K63 WeakPolarHBondContact O-CB 3.3Å; L59-K63 PolarHBondContact O-N 3.49Å; V60-K63 PolarHBondContact O-N 2.97Å; R61-K63 VanDerWaalsContact C-N 3.35Å; K63-L67 HydrophobicContact CG-CD1 4.01Å; K63-L67 WeakPolarHBondContact O-CB 3.33Å; K63-L67 PolarHBondContact O-N 3.22Å
64	G	84.5	Confident	85.9	Confident	30 Å²	30	105.9 Å²	105.9	31%	0.309	53%	0.534	S	S	.	.	H	α-helix	trans	-63.7	-42.6	175.9	0	0	0	0	0	113	V60 R61 L62 L67 N68	V60-G64 PolarHBondContact O-N 2.88Å; R61-G64 PolarHBondContact O-N 3.23Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-G64 PolarHBondContact O-N 2.94Å; G64-L67 PolarHBondContact O-N 3.41Å; G64-N68 PolarHBondContact O-N 3.26Å; G64-N68 VanDerWaalsContact O-N 3.09Å
65	S	88.9	Confident	86.6	Confident	62 Å²	62	104.6 Å²	104.6	43%	0.434	54%	0.536	S	S	.	.	H	α-helix	trans	-63.1	-46.7	176.1	-163.3	0	0	0	0	111.7	R61 L62 L67 N68 E69	R61-S65 PolarHBondContact O-N 2.85Å; L62-S65 PolarHBondContact O-N 2.93Å; S65-L67 PolarHBondContact O-N 3.42Å; S65-N68 PolarHBondContact O-N 2.98Å; S65-E69 PolarHBondContact O-N 3.46Å
66	I	88	Confident	87.2	Confident	96 Å²	96	106.8 Å²	106.8	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-43.9	178.7	-67.9	166.5	0	0	0	110.2	L62 N68 E69 L70	L62-I66 WeakPolarHBondContact O-CB 3.25Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.46Å; L62-I66 PolarHBondContact O-N 3.06Å; I66-N68 PolarHBondContact O-N 2.87Å; I66-E69 PolarHBondContact O-N 3.34Å; I66-L70 VanDerWaalsContact O-CB 3.22Å; I66-L70 WeakPolarHBondContact O-CB 3.49Å; I66-L70 PolarHBondContact O-N 2.85Å
67	L	86.9	Confident	87.8	Confident	90 Å²	90	108.8 Å²	108.8	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-60	-43.1	177.1	-91.1	157.3	0	0	0	112.7	K63 G64 S65 L70 L71	K63-L67 HydrophobicContact CG-CD1 4.01Å; K63-L67 WeakPolarHBondContact O-CB 3.33Å; K63-L67 PolarHBondContact O-N 3.22Å; G64-L67 PolarHBondContact O-N 3.41Å; S65-L67 PolarHBondContact O-N 3.42Å; L67-L70 PolarHBondContact O-N 2.92Å; L67-L71 WeakPolarHBondContact O-CB 3.36Å; L67-L71 PolarHBondContact O-N 3.31Å
68	N	88.5	Confident	88.3	Confident	111 Å²	111	106.3 Å²	106.3	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-67.9	-40.6	178	-74.7	-13.6	0	0	0	112.3	G64 S65 I66 L70 S72	G64-N68 PolarHBondContact O-N 3.26Å; G64-N68 VanDerWaalsContact O-N 3.09Å; S65-N68 PolarHBondContact O-N 2.98Å; I66-N68 PolarHBondContact O-N 2.87Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-S72 WeakPolarHBondContact O-CB 3.25Å; N68-S72 PolarHBondContact O-N 2.93Å
69	E	90.6	Very high	88.6	Confident	124 Å²	124	105 Å²	105	58%	0.579	53%	0.534	S	S	*	.	H	α-helix	trans	-63.5	-40	173	-77.2	-175	-179.8	0	0	111.5	S65 I66 S72 L73	S65-E69 PolarHBondContact O-N 3.46Å; I66-E69 PolarHBondContact O-N 3.34Å; E69-S72 PolarHBondContact O-N 3.34Å; E69-L73 WeakPolarHBondContact O-CB 3.5Å; E69-L73 VanDerWaalsContact O-CG 3.25Å; E69-L73 WeakPolarHBondContact O-CG 3.44Å; E69-L73 PolarHBondContact O-N 2.84Å
70	L	90	Very high	89.1	Confident	100 Å²	100	104.5 Å²	104.5	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-41.5	-180	-147.7	149.9	0	0	0	111.3	I66 L67 N68 L73 E74	I66-L70 VanDerWaalsContact O-CB 3.22Å; I66-L70 WeakPolarHBondContact O-CB 3.49Å; I66-L70 PolarHBondContact O-N 2.85Å; L67-L70 PolarHBondContact O-N 2.92Å; N68-L70 VanDerWaalsContact C-N 3.32Å; L70-L73 PolarHBondContact O-N 3.45Å; L70-E74 WeakPolarHBondContact O-CB 3.5Å; L70-E74 PolarHBondContact O-N 3.34Å
71	L	90	Very high	89.5	Confident	102 Å²	102	104.5 Å²	104.5	53%	0.534	53%	0.527	S	S	.	.	H	α-helix	trans	-60.1	-45.9	171.2	-83.2	160.5	0	0	0	112.2	L67 L73 E74 E75	L67-L71 WeakPolarHBondContact O-CB 3.36Å; L67-L71 PolarHBondContact O-N 3.31Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.94Å; L71-E74 PolarHBondContact O-N 3.49Å; L71-E75 PolarHBondContact O-N 3.02Å
72	S	91.5	Very high	89.8	Confident	51 Å²	51	99.6 Å²	99.6	36%	0.357	52%	0.52	S	S	.	.	H	α-helix	trans	-62.7	-39.2	176.7	178.1	0	0	0	0	112.3	N68 E69 K76	N68-S72 WeakPolarHBondContact O-CB 3.25Å; N68-S72 PolarHBondContact O-N 2.93Å; E69-S72 PolarHBondContact O-N 3.34Å; S72-K76 WeakPolarHBondContact O-CB 3.22Å; S72-K76 VanDerWaalsContact O-CG 3.3Å; S72-K76 WeakPolarHBondContact O-CG 3.49Å; S72-K76 PolarHBondContact O-N 2.98Å
73	L	90.7	Very high	90.2	Very high	110 Å²	110	100 Å²	100	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-68.2	-36.7	174.9	-74.1	170.2	0	0	0	111.9	E69 L70 L71 R77	E69-L73 WeakPolarHBondContact O-CB 3.5Å; E69-L73 VanDerWaalsContact O-CG 3.25Å; E69-L73 WeakPolarHBondContact O-CG 3.44Å; E69-L73 PolarHBondContact O-N 2.84Å; L70-L73 PolarHBondContact O-N 3.45Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.94Å; L73-R77 VanDerWaalsContact O-CB 3.27Å; L73-R77 WeakPolarHBondContact O-CB 3.39Å; L73-R77 PolarHBondContact O-N 2.86Å
74	E	89.6	Confident	90.6	Very high	93 Å²	93	98 Å²	98	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-40	177.5	-165.5	165.1	-154.1	0	0	111.9	L70 L71 R77 N78	L70-E74 WeakPolarHBondContact O-CB 3.5Å; L70-E74 PolarHBondContact O-N 3.34Å; L71-E74 PolarHBondContact O-N 3.49Å; E74-R77 WeakPolarHBondContact O-CB 3.37Å; E74-R77 PolarHBondContact O-N 3.31Å; E74-N78 PolarHBondContact O-N 3.25Å; E74-N78 PolarHBondContact O-ND2 3.07Å
75	E	91.4	Very high	90.9	Very high	147 Å²	147	98.1 Å²	98.1	69%	0.687	52%	0.515	S	S	*	.	H	α-helix	trans	-61.6	-47	172	-170.4	177.1	-173	0	0	111.6	L71 R77 N78 A79	L71-E75 PolarHBondContact O-N 3.02Å; E75-R77 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 3.42Å; E75-N78 PolarHBondContact O-N 2.92Å; E75-A79 PolarHBondContact O-N 3.31Å
76	K	92.5	Very high	91.1	Very high	126 Å²	126	100.7 Å²	100.7	55%	0.548	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-41	174.3	-73.9	174.4	-175.3	177.3	0	112.3	S72 A79 L80	S72-K76 WeakPolarHBondContact O-CB 3.22Å; S72-K76 VanDerWaalsContact O-CG 3.3Å; S72-K76 WeakPolarHBondContact O-CG 3.49Å; S72-K76 PolarHBondContact O-N 2.98Å; K76-A79 PolarHBondContact O-N 3.15Å; K76-L80 WeakPolarHBondContact O-CB 3.27Å; K76-L80 WeakPolarHBondContact O-CG 3.48Å; K76-L80 PolarHBondContact O-N 3.28Å
77	R	93.1	Very high	91.3	Very high	158 Å²	158	101 Å²	101	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-45	176.2	179.2	-174.2	173.2	-158.3	-1.9	111	L73 E74 E75 L80 L81	L73-R77 VanDerWaalsContact O-CB 3.27Å; L73-R77 WeakPolarHBondContact O-CB 3.39Å; L73-R77 PolarHBondContact O-N 2.86Å; E74-R77 WeakPolarHBondContact O-CB 3.37Å; E74-R77 PolarHBondContact O-N 3.31Å; E75-R77 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 3.42Å; R77-L80 PolarHBondContact O-N 2.88Å; R77-L81 HydrophobicContact CG-CD1 4.31Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 3.39Å
78	N	91.2	Very high	91.6	Very high	88 Å²	88	105.3 Å²	105.3	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-41.6	178.8	-72.6	-24	0	0	0	111.8	E74 E75 L80 L81 V82	E74-N78 PolarHBondContact O-N 3.25Å; E74-N78 PolarHBondContact O-ND2 3.07Å; E75-N78 PolarHBondContact O-N 2.92Å; N78-L80 PolarHBondContact O-N 3.26Å; N78-L81 PolarHBondContact O-N 3.43Å; N78-V82 WeakPolarHBondContact O-CG2 3.32Å; N78-V82 PolarHBondContact O-N 3.37Å; N78-V82 VanDerWaalsContact O-N 3.15Å
79	A	91.6	Very high	91.7	Very high	63 Å²	63	104.7 Å²	104.7	52%	0.521	53%	0.533	S	S	.	.	H	α-helix	trans	-59.6	-45.7	173.7	0	0	0	0	0	112.1	E75 K76 L81 V82 E83	E75-A79 PolarHBondContact O-N 3.31Å; K76-A79 PolarHBondContact O-N 3.15Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 3.49Å; A79-V82 PolarHBondContact O-N 3.48Å; A79-E83 PolarHBondContact O-N 2.89Å; A79-E83 VanDerWaalsContact O-N 3.07Å
80	L	93.3	Very high	91.8	Very high	103 Å²	103	104.4 Å²	104.4	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-36.3	177	-74.9	169.8	0	0	0	112.9	K76 R77 N78 E83 L84	K76-L80 WeakPolarHBondContact O-CB 3.27Å; K76-L80 WeakPolarHBondContact O-CG 3.48Å; K76-L80 PolarHBondContact O-N 3.28Å; R77-L80 PolarHBondContact O-N 2.88Å; N78-L80 PolarHBondContact O-N 3.26Å; L80-E83 PolarHBondContact O-N 3.48Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 PolarHBondContact O-N 2.92Å
81	L	91.7	Very high	91.8	Very high	95 Å²	95	102.1 Å²	102.1	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-67.4	-39.2	177.4	-74.7	172.7	0	0	0	112.4	R77 N78 A79 L84 G85	R77-L81 HydrophobicContact CG-CD1 4.31Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 3.39Å; N78-L81 PolarHBondContact O-N 3.43Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 3.49Å; L81-L84 PolarHBondContact O-N 3.5Å; L81-G85 PolarHBondContact O-N 3.39Å
82	V	91.9	Very high	91.7	Very high	98 Å²	98	101.6 Å²	101.6	59%	0.594	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-45.4	175	173.3	0	0	0	0	110.5	N78 A79 L84 G85 L86	N78-V82 WeakPolarHBondContact O-CG2 3.32Å; N78-V82 PolarHBondContact O-N 3.37Å; N78-V82 VanDerWaalsContact O-N 3.15Å; A79-V82 PolarHBondContact O-N 3.48Å; V82-L84 PolarHBondContact O-N 3.38Å; V82-G85 PolarHBondContact O-N 3.31Å; V82-G85 VanDerWaalsContact O-N 3.17Å; V82-L86 HydrophobicContact CG1-CD1 4.39Å; V82-L86 PolarHBondContact O-N 3.44Å
83	E	93.5	Very high	91.6	Very high	110 Å²	110	104 Å²	104	51%	0.514	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-42.2	177.3	-168	176.4	-173.7	0	0	111.8	A79 L80 G85 L86 L87	A79-E83 PolarHBondContact O-N 2.89Å; A79-E83 VanDerWaalsContact O-N 3.07Å; L80-E83 PolarHBondContact O-N 3.48Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 2.98Å; E83-L86 PolarHBondContact O-N 2.77Å; E83-L87 HydrophobicContact CG-CD1 4.17Å; E83-L87 WeakPolarHBondContact O-CB 3.43Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 3.43Å
84	L	92.9	Very high	91.6	Very high	101 Å²	101	102.8 Å²	102.8	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-57.7	-42.4	172.5	-110.5	161.6	0	0	0	112.1	L80 L81 V82 R88	L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 PolarHBondContact O-N 2.92Å; L81-L84 PolarHBondContact O-N 3.5Å; V82-L84 PolarHBondContact O-N 3.38Å; L84-R88 WeakPolarHBondContact O-CB 3.4Å; L84-R88 PolarHBondContact O-N 3Å
85	G	91.5	Very high	91.4	Very high	32 Å²	32	103.8 Å²	103.8	33%	0.33	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-45.2	176.7	0	0	0	0	0	112.6	L81 V82 E83 R88 N89	L81-G85 PolarHBondContact O-N 3.39Å; V82-G85 PolarHBondContact O-N 3.31Å; V82-G85 VanDerWaalsContact O-N 3.17Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 2.98Å; G85-R88 PolarHBondContact O-N 3.05Å; G85-N89 PolarHBondContact O-N 3.17Å
86	L	92.4	Very high	90.9	Very high	116 Å²	116	99.2 Å²	99.2	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-45.2	176.5	-69.9	173.5	0	0	0	111.9	V82 E83 R88 N89 H90	V82-L86 HydrophobicContact CG1-CD1 4.39Å; V82-L86 PolarHBondContact O-N 3.44Å; E83-L86 PolarHBondContact O-N 2.77Å; L86-R88 VanDerWaalsContact C-N 3.32Å; L86-R88 PolarHBondContact O-N 3.01Å; L86-N89 PolarHBondContact O-N 3.02Å; L86-H90 WeakPolarHBondContact O-CB 3.35Å; L86-H90 PolarHBondContact O-N 3.35Å
87	L	93.3	Very high	90.5	Very high	103 Å²	103	97.9 Å²	97.9	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-38.5	176.4	-76.1	168.1	0	0	0	112	E83 H90 A91	E83-L87 HydrophobicContact CG-CD1 4.17Å; E83-L87 WeakPolarHBondContact O-CB 3.43Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 3.43Å; L87-H90 PolarHBondContact O-N 3.27Å; L87-A91 WeakPolarHBondContact O-CB 3.48Å; L87-A91 PolarHBondContact O-N 3.37Å
88	R	92.5	Very high	90.2	Very high	180 Å²	180	94.1 Å²	94.1	68%	0.679	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-45	175.6	-127.5	173.3	-175.8	156.2	0.7	112.2	L84 G85 L86 H90 A91 N92	L84-R88 WeakPolarHBondContact O-CB 3.4Å; L84-R88 PolarHBondContact O-N 3Å; G85-R88 PolarHBondContact O-N 3.05Å; L86-R88 VanDerWaalsContact C-N 3.32Å; L86-R88 PolarHBondContact O-N 3.01Å; R88-H90 VanDerWaalsContact C-N 3.32Å; R88-H90 PolarHBondContact O-N 2.86Å; R88-A91 PolarHBondContact O-N 2.87Å; R88-N92 VanDerWaalsContact O-CG 3.29Å; R88-N92 PolarHBondContact O-N 3.47Å; R88-N92 PolarHBondContact O-ND2 3.36Å
89	N	91.1	Very high	89.6	Confident	99 Å²	99	95.6 Å²	95.6	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-40	176.3	-74.7	-17.1	0	0	0	111.4	G85 L86 N92 N93	G85-N89 PolarHBondContact O-N 3.17Å; L86-N89 PolarHBondContact O-N 3.02Å; N89-N92 PolarHBondContact O-N 2.94Å; N89-N93 PolarHBondContact O-N 2.82Å
90	H	91.4	Very high	89	Confident	117 Å²	117	96.8 Å²	96.8	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-44	174.9	-164.2	57.3	0	0	0	111.7	L86 L87 R88 N92 N93 L94	L86-H90 WeakPolarHBondContact O-CB 3.35Å; L86-H90 PolarHBondContact O-N 3.35Å; L87-H90 PolarHBondContact O-N 3.27Å; R88-H90 VanDerWaalsContact C-N 3.32Å; R88-H90 PolarHBondContact O-N 2.86Å; H90-N92 PolarHBondContact O-N 2.95Å; H90-N93 PolarHBondContact O-N 3.32Å; H90-L94 WeakPolarHBondContact CD2-CD1 3.27Å; H90-L94 VanDerWaalsContact NE2-CD1 3.32Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.48Å; H90-L94 WeakPolarHBondContact O-CB 3.39Å; H90-L94 WeakPolarHBondContact O-CD1 3.42Å; H90-L94 PolarHBondContact O-N 3.29Å
91	A	90.7	Very high	88.5	Confident	53 Å²	53	97 Å²	97	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-42.7	175.5	0	0	0	0	0	112.4	L87 R88 L94 Q95	L87-A91 WeakPolarHBondContact O-CB 3.48Å; L87-A91 PolarHBondContact O-N 3.37Å; R88-A91 PolarHBondContact O-N 2.87Å; A91-L94 PolarHBondContact O-N 3.31Å; A91-Q95 WeakPolarHBondContact O-CB 3.48Å; A91-Q95 PolarHBondContact O-N 3.47Å
92	N	87.6	Confident	87.9	Confident	90 Å²	90	95.9 Å²	95.9	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.9	-70.8	-18.9	0	0	0	112.1	R88 N89 H90 Q95 A96	R88-N92 VanDerWaalsContact O-CG 3.29Å; R88-N92 PolarHBondContact O-N 3.47Å; R88-N92 PolarHBondContact O-ND2 3.36Å; N89-N92 PolarHBondContact O-N 2.94Å; H90-N92 PolarHBondContact O-N 2.95Å; N92-Q95 PolarHBondContact O-N 3.42Å; N92-A96 PolarHBondContact O-N 2.89Å
93	N	89.3	Confident	86.9	Confident	102 Å²	102	97.1 Å²	97.1	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-42.1	176	-74.7	-13.6	0	0	0	111.9	N89 H90 A96 N97	N89-N93 PolarHBondContact O-N 2.82Å; H90-N93 PolarHBondContact O-N 3.32Å; N93-A96 PolarHBondContact O-N 2.79Å; N93-N97 WeakPolarHBondContact O-CB 3.43Å; N93-N97 VanDerWaalsContact O-CG 3.23Å; N93-N97 PolarHBondContact O-N 2.83Å; N93-N97 PolarHBondContact O-ND2 3.46Å
94	L	90.3	Very high	86.1	Confident	84 Å²	84	94.8 Å²	94.8	44%	0.44	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-43.9	173.4	-98.6	135.6	0	0	0	111.6	H90 A91 N97 V98	H90-L94 WeakPolarHBondContact CD2-CD1 3.27Å; H90-L94 VanDerWaalsContact NE2-CD1 3.32Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.48Å; H90-L94 WeakPolarHBondContact O-CB 3.39Å; H90-L94 WeakPolarHBondContact O-CD1 3.42Å; H90-L94 PolarHBondContact O-N 3.29Å; A91-L94 PolarHBondContact O-N 3.31Å; L94-N97 PolarHBondContact O-N 2.87Å; L94-V98 WeakPolarHBondContact O-CB 3.25Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.48Å; L94-V98 PolarHBondContact O-N 3.35Å
95	Q	86.5	Confident	85.5	Confident	114 Å²	114	94 Å²	94	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-43.6	178	-172.4	176	-8.8	0	0	111.6	A91 N92 V98 H99	A91-Q95 WeakPolarHBondContact O-CB 3.48Å; A91-Q95 PolarHBondContact O-N 3.47Å; N92-Q95 PolarHBondContact O-N 3.42Å; Q95-V98 PolarHBondContact O-N 2.57Å; Q95-H99 PolarHBondContact O-CD2 3.24Å; Q95-H99 PolarHBondContact O-N 3.13Å
96	A	79.8	Confident	84.6	Confident	51 Å²	51	96.6 Å²	96.6	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-44.2	173.9	0	0	0	0	0	111.8	N92 N93 H99 T100	N92-A96 PolarHBondContact O-N 2.89Å; N93-A96 PolarHBondContact O-N 2.79Å; A96-H99 PolarHBondContact O-N 3.26Å; A96-T100 PolarHBondContact O-N 3.42Å; A96-T100 PolarHBondContact O-OG1 3.27Å; A96-T100 VanDerWaalsContact O-OG1 3.05Å
97	N	84.7	Confident	83.6	Confident	99 Å²	99	94.8 Å²	94.8	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-42.7	176.3	-73.1	-16.8	0	0	0	112.2	N93 L94 T100 I101	N93-N97 WeakPolarHBondContact O-CB 3.43Å; N93-N97 VanDerWaalsContact O-CG 3.23Å; N93-N97 PolarHBondContact O-N 2.83Å; N93-N97 PolarHBondContact O-ND2 3.46Å; L94-N97 PolarHBondContact O-N 2.87Å; N97-T100 PolarHBondContact O-N 3.48Å; N97-I101 WeakPolarHBondContact O-CB 3.4Å; N97-I101 VanDerWaalsContact O-CG1 3.25Å; N97-I101 WeakPolarHBondContact O-CG1 3.38Å; N97-I101 PolarHBondContact O-N 2.8Å
98	V	87.5	Confident	82.9	Confident	79 Å²	79	95 Å²	95	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-43.6	175.7	169.6	0	0	0	0	110.6	L94 Q95 T100 I101 V102	L94-V98 WeakPolarHBondContact O-CB 3.25Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.48Å; L94-V98 PolarHBondContact O-N 3.35Å; Q95-V98 PolarHBondContact O-N 2.57Å; V98-T100 VanDerWaalsContact C-N 3.35Å; V98-T100 PolarHBondContact O-N 3.1Å; V98-I101 PolarHBondContact O-N 2.79Å; V98-V102 HydrophobicContact CG1-CG2 4.2Å; V98-V102 WeakPolarHBondContact O-CB 3.29Å; V98-V102 VanDerWaalsContact O-CG2 3.25Å; V98-V102 WeakPolarHBondContact O-CG2 3.41Å; V98-V102 PolarHBondContact O-N 3.13Å
99	H	77.6	Confident	82.2	Confident	119 Å²	119	92.4 Å²	92.4	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-43	175.2	-79.8	-62.4	0	0	0	112.4	Q95 A96 V102 R103	Q95-H99 PolarHBondContact O-CD2 3.24Å; Q95-H99 PolarHBondContact O-N 3.13Å; A96-H99 PolarHBondContact O-N 3.26Å; H99-V102 PolarHBondContact O-N 3.13Å; H99-R103 WeakPolarHBondContact O-CB 3.25Å; H99-R103 PolarHBondContact O-N 3.05Å
100	T	78.7	Confident	81.3	Confident	88 Å²	88	90.4 Å²	90.4	54%	0.54	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-46.8	175.5	-57.1	0	0	0	0	111.2	A96 N97 V98 R103 S104	A96-T100 PolarHBondContact O-N 3.42Å; A96-T100 PolarHBondContact O-OG1 3.27Å; A96-T100 VanDerWaalsContact O-OG1 3.05Å; N97-T100 PolarHBondContact O-N 3.48Å; V98-T100 VanDerWaalsContact C-N 3.35Å; V98-T100 PolarHBondContact O-N 3.1Å; T100-R103 PolarHBondContact O-N 3.28Å; T100-S104 WeakPolarHBondContact O-CB 3.4Å; T100-S104 PolarHBondContact O-N 2.98Å; T100-S104 PolarHBondContact O-OG 3.4Å; T100-S104 VanDerWaalsContact O-OG 3.13Å
101	I	83	Confident	80.5	Confident	106 Å²	106	87.1 Å²	87.1	54%	0.544	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-46.2	178	-68.6	165.5	0	0	0	110.9	N97 V98 R103 S104 L105	N97-I101 WeakPolarHBondContact O-CB 3.4Å; N97-I101 VanDerWaalsContact O-CG1 3.25Å; N97-I101 WeakPolarHBondContact O-CG1 3.38Å; N97-I101 PolarHBondContact O-N 2.8Å; V98-I101 PolarHBondContact O-N 2.79Å; I101-R103 VanDerWaalsContact C-N 3.31Å; I101-R103 PolarHBondContact O-N 3.37Å; I101-S104 PolarHBondContact O-N 3.16Å; I101-L105 VanDerWaalsContact O-CB 3.25Å; I101-L105 WeakPolarHBondContact O-CB 3.35Å; I101-L105 PolarHBondContact O-N 2.95Å
102	V	80.2	Confident	80.1	Confident	72 Å²	72	88.8 Å²	88.8	44%	0.436	48%	0.48	S	S	.	.	H	α-helix	trans	-61	-41.8	178.2	169	0	0	0	0	110.9	V98 H99 L105 N106	V98-V102 HydrophobicContact CG1-CG2 4.2Å; V98-V102 WeakPolarHBondContact O-CB 3.29Å; V98-V102 VanDerWaalsContact O-CG2 3.25Å; V98-V102 WeakPolarHBondContact O-CG2 3.41Å; V98-V102 PolarHBondContact O-N 3.13Å; H99-V102 PolarHBondContact O-N 3.13Å; V102-L105 PolarHBondContact O-N 2.97Å; V102-N106 WeakPolarHBondContact O-CB 3.37Å; V102-N106 PolarHBondContact O-N 2.85Å; V102-N106 PolarHBondContact O-ND2 3.32Å
103	R	70.9	Confident	79.6	Confident	124 Å²	124	86.4 Å²	86.4	47%	0.468	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-50.3	174.7	-172.9	-177	-121.8	147	-0.1	111	H99 T100 I101 L105 N106 T107	H99-R103 WeakPolarHBondContact O-CB 3.25Å; H99-R103 PolarHBondContact O-N 3.05Å; T100-R103 PolarHBondContact O-N 3.28Å; I101-R103 VanDerWaalsContact C-N 3.31Å; I101-R103 PolarHBondContact O-N 3.37Å; R103-L105 VanDerWaalsContact C-N 3.26Å; R103-L105 PolarHBondContact O-N 2.89Å; R103-N106 PolarHBondContact O-N 2.92Å; R103-T107 WeakPolarHBondContact O-CG2 3.25Å; R103-T107 PolarHBondContact O-N 3.3Å; R103-T107 PolarHBondContact O-OG1 3.39Å
104	S	76	Confident	78.9	Confident	62 Å²	62	82.1 Å²	82.1	43%	0.434	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-36.3	176.3	-63.7	0	0	0	0	112.4	T100 I101 T107 L108	T100-S104 WeakPolarHBondContact O-CB 3.4Å; T100-S104 PolarHBondContact O-N 2.98Å; T100-S104 PolarHBondContact O-OG 3.4Å; T100-S104 VanDerWaalsContact O-OG 3.13Å; I101-S104 PolarHBondContact O-N 3.16Å; S104-T107 WeakPolarHBondContact CA-OG1 3.3Å; S104-T107 PolarHBondContact O-OG1 2.88Å; S104-L108 WeakPolarHBondContact O-CB 3.33Å; S104-L108 PolarHBondContact O-N 2.95Å
105	L	81.2	Confident	78.3	Confident	85 Å²	85	81 Å²	81	45%	0.445	45%	0.454	S	S	.	.	H	α-helix	trans	-71.5	-38.1	179.1	-152.9	162.6	0	0	0	110.8	I101 V102 R103 L108 K109	I101-L105 VanDerWaalsContact O-CB 3.25Å; I101-L105 WeakPolarHBondContact O-CB 3.35Å; I101-L105 PolarHBondContact O-N 2.95Å; V102-L105 PolarHBondContact O-N 2.97Å; R103-L105 VanDerWaalsContact C-N 3.26Å; R103-L105 PolarHBondContact O-N 2.89Å; L105-L108 PolarHBondContact O-N 3.35Å; L105-K109 HydrophobicContact CD2-CD 3.73Å; L105-K109 HydrophobicContact CD2-CG 4.04Å; L105-K109 WeakPolarHBondContact O-CB 3.45Å; L105-K109 WeakPolarHBondContact O-CG 3.5Å; L105-K109 PolarHBondContact O-N 2.98Å
106	N	72.6	Confident	78.2	Confident	85 Å²	85	81.1 Å²	81.1	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-42.5	173.9	-74.2	-20.4	0	0	0	112	V102 R103 L108 K109 T110	V102-N106 WeakPolarHBondContact O-CB 3.37Å; V102-N106 PolarHBondContact O-N 2.85Å; V102-N106 PolarHBondContact O-ND2 3.32Å; R103-N106 PolarHBondContact O-N 2.92Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-L108 PolarHBondContact O-N 3.34Å; N106-K109 PolarHBondContact O-N 3.21Å; N106-T110 WeakPolarHBondContact O-CG2 3.5Å; N106-T110 PolarHBondContact O-N 2.97Å; N106-T110 PolarHBondContact O-OG1 3.29Å
107	T	70.4	Confident	78.1	Confident	78 Å²	78	80.6 Å²	80.6	48%	0.479	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-35.1	175.3	56.5	0	0	0	0	112.2	R103 S104 T110 A111	R103-T107 WeakPolarHBondContact O-CG2 3.25Å; R103-T107 PolarHBondContact O-N 3.3Å; R103-T107 PolarHBondContact O-OG1 3.39Å; S104-T107 WeakPolarHBondContact CA-OG1 3.3Å; S104-T107 PolarHBondContact O-OG1 2.88Å; T107-T110 WeakPolarHBondContact CA-OG1 3.31Å; T107-T110 PolarHBondContact O-OG1 3.47Å; T107-A111 VanDerWaalsContact O-CB 3.3Å; T107-A111 WeakPolarHBondContact O-CB 3.48Å; T107-A111 PolarHBondContact O-N 2.86Å
108	L	78.3	Confident	77.7	Confident	107 Å²	107	78.2 Å²	78.2	56%	0.56	44%	0.438	S	S	*	.	H	α-helix	trans	-70.6	-40.1	175.7	-135.9	153	0	0	0	111.4	S104 L105 N106 A111 I112	S104-L108 WeakPolarHBondContact O-CB 3.33Å; S104-L108 PolarHBondContact O-N 2.95Å; L105-L108 PolarHBondContact O-N 3.35Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-L108 PolarHBondContact O-N 3.34Å; L108-A111 PolarHBondContact O-N 3.34Å; L108-I112 HydrophobicContact CD2-CD1 3.57Å; L108-I112 HydrophobicContact CD2-CG1 4.06Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 2.87Å
109	K	79.1	Confident	77.4	Confident	126 Å²	126	82.3 Å²	82.3	55%	0.548	45%	0.446	S	S	.	.	H	α-helix	trans	-60.4	-44.7	173.4	-82.9	174.5	173.2	172	0	112.1	L105 N106 I112 A113	L105-K109 HydrophobicContact CD2-CD 3.73Å; L105-K109 HydrophobicContact CD2-CG 4.04Å; L105-K109 WeakPolarHBondContact O-CB 3.45Å; L105-K109 WeakPolarHBondContact O-CG 3.5Å; L105-K109 PolarHBondContact O-N 2.98Å; N106-K109 PolarHBondContact O-N 3.21Å; K109-I112 PolarHBondContact O-N 2.96Å; K109-A113 WeakPolarHBondContact O-CB 3.39Å; K109-A113 PolarHBondContact O-N 2.95Å
110	T	72.1	Confident	77.5	Confident	57 Å²	57	83.6 Å²	83.6	35%	0.35	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-44	176.4	54.7	0	0	0	0	110.8	N106 T107 I112 A113 N114	N106-T110 WeakPolarHBondContact O-CG2 3.5Å; N106-T110 PolarHBondContact O-N 2.97Å; N106-T110 PolarHBondContact O-OG1 3.29Å; T107-T110 WeakPolarHBondContact CA-OG1 3.31Å; T107-T110 PolarHBondContact O-OG1 3.47Å; T110-I112 VanDerWaalsContact C-N 3.34Å; T110-I112 PolarHBondContact O-N 3.1Å; T110-A113 PolarHBondContact O-N 2.91Å; T110-N114 VanDerWaalsContact O-CB 3.32Å; T110-N114 WeakPolarHBondContact O-CB 3.43Å; T110-N114 PolarHBondContact O-N 3.42Å; T110-N114 PolarHBondContact O-ND2 3.46Å; T110-N114 PolarHBondContact O-OD1 2.93Å
111	A	74.1	Confident	77.4	Confident	48 Å²	48	80.8 Å²	80.8	40%	0.397	43%	0.428	S	S	.	.	H	α-helix	trans	-58.3	-42.8	175.8	0	0	0	0	0	112.8	T107 L108 N114 A115	T107-A111 VanDerWaalsContact O-CB 3.3Å; T107-A111 WeakPolarHBondContact O-CB 3.48Å; T107-A111 PolarHBondContact O-N 2.86Å; L108-A111 PolarHBondContact O-N 3.34Å; A111-N114 PolarHBondContact O-N 3.31Å; A111-A115 VanDerWaalsContact O-CB 3.31Å; A111-A115 WeakPolarHBondContact O-CB 3.3Å; A111-A115 PolarHBondContact O-N 3.49Å
112	I	81.6	Confident	76.9	Confident	88 Å²	88	78.8 Å²	78.8	45%	0.451	43%	0.428	S	S	.	.	H	α-helix	trans	-64.6	-48.3	176.2	-69.8	166.3	0	0	0	110.9	L108 K109 T110 N114 A115 Q116	L108-I112 HydrophobicContact CD2-CD1 3.57Å; L108-I112 HydrophobicContact CD2-CG1 4.06Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 2.87Å; K109-I112 PolarHBondContact O-N 2.96Å; T110-I112 VanDerWaalsContact C-N 3.34Å; T110-I112 PolarHBondContact O-N 3.1Å; I112-N114 VanDerWaalsContact C-N 3.29Å; I112-N114 PolarHBondContact O-N 2.9Å; I112-A115 PolarHBondContact O-N 2.81Å; I112-Q116 HydrophobicContact CG2-CG 4.47Å; I112-Q116 WeakPolarHBondContact O-CG 3.28Å; I112-Q116 PolarHBondContact O-N 2.93Å
113	A	77.8	Confident	76.7	Confident	41 Å²	41	80 Å²	80	34%	0.339	44%	0.435	S	S	.	.	H	α-helix	trans	-59.1	-43.2	178.7	0	0	0	0	0	111.3	K109 T110 Q116 D117	K109-A113 WeakPolarHBondContact O-CB 3.39Å; K109-A113 PolarHBondContact O-N 2.95Å; T110-A113 PolarHBondContact O-N 2.91Å; A113-Q116 PolarHBondContact O-N 3.32Å; A113-D117 PolarHBondContact O-N 3.23Å
114	N	73.9	Confident	76.8	Confident	12 Å²	12	76.4 Å²	76.4	6%	0.064	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-41.5	176.9	-64.3	-23	0	0	0	112.2	T110 A111 I112 Q116 D117 A118 V525 E526	T110-N114 VanDerWaalsContact O-CB 3.32Å; T110-N114 WeakPolarHBondContact O-CB 3.43Å; T110-N114 PolarHBondContact O-N 3.42Å; T110-N114 PolarHBondContact O-ND2 3.46Å; T110-N114 PolarHBondContact O-OD1 2.93Å; A111-N114 PolarHBondContact O-N 3.31Å; I112-N114 VanDerWaalsContact C-N 3.29Å; I112-N114 PolarHBondContact O-N 2.9Å; N114-Q116 VanDerWaalsContact C-N 3.33Å; N114-D117 PolarHBondContact O-N 3.39Å; N114-A118 VanDerWaalsContact O-CB 3.28Å; N114-A118 WeakPolarHBondContact O-CB 3.32Å; N114-A118 PolarHBondContact O-N 2.88Å; N114-V525 PolarHBondContact ND2-O 3.22Å; N114-E526 WeakPolarHBondContact ND2-CA 3.25Å
115	A	78.7	Confident	76.4	Confident	61 Å²	61	75.1 Å²	75.1	50%	0.504	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-38.9	176.6	0	0	0	0	0	111.5	A111 I112 A118 Y119	A111-A115 VanDerWaalsContact O-CB 3.31Å; A111-A115 WeakPolarHBondContact O-CB 3.3Å; A111-A115 PolarHBondContact O-N 3.49Å; I112-A115 PolarHBondContact O-N 2.81Å; A115-A118 PolarHBondContact O-N 3.33Å; A115-Y119 VanDerWaalsContact O-CB 3.3Å; A115-Y119 WeakPolarHBondContact O-CB 3.32Å; A115-Y119 PolarHBondContact O-N 2.87Å
116	Q	83.9	Confident	75.6	Confident	115 Å²	115	77.6 Å²	77.6	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-66.1	-40	174.1	-72.5	176.9	-21.3	0	0	112.6	I112 A113 N114 R120	I112-Q116 HydrophobicContact CG2-CG 4.47Å; I112-Q116 WeakPolarHBondContact O-CG 3.28Å; I112-Q116 PolarHBondContact O-N 2.93Å; A113-Q116 PolarHBondContact O-N 3.32Å; N114-Q116 VanDerWaalsContact C-N 3.33Å; Q116-R120 WeakPolarHBondContact O-CG 3.45Å; Q116-R120 PolarHBondContact O-N 3.39Å; Q116-R120 VanDerWaalsContact O-N 3.16Å; Q116-R120 PolarHBondContact O-NE 3.43Å
117	D	77.6	Confident	75.1	Confident	40 Å²	40	80.3 Å²	80.3	21%	0.214	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-46.9	173.8	-77.1	-24.7	0	0	0	111.2	A113 N114 Y119 R120 D121 R582	A113-D117 PolarHBondContact O-N 3.23Å; N114-D117 PolarHBondContact O-N 3.39Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 PolarHBondContact O-N 3.27Å; D117-R120 WeakPolarHBondContact O-CB 3.45Å; D117-R120 PolarHBondContact O-N 3.48Å; D117-R120 VanDerWaalsContact O-N 3.12Å; D117-R120 IonicContact OD1-CZ 3.19Å; D117-R120 IonicContact OD1-NE 3.8Å; D117-R120 IonicContact OD1-NH1 3.38Å; D117-R120 IonicContact OD1-NH2 2.57Å; D117-R120 PolarHBondContact OD1-NH2 3.28Å; D117-D121 VanDerWaalsContact O-CG 3.23Å; D117-D121 PolarHBondContact O-N 2.98Å; D117-R582 IonicContact OD2-NH1 2.72Å
118	A	75.6	Confident	74.7	Confident	50 Å²	50	80.8 Å²	80.8	41%	0.413	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-38.8	178.5	0	0	0	0	0	112.3	N114 A115 D121 A122	N114-A118 VanDerWaalsContact O-CB 3.28Å; N114-A118 WeakPolarHBondContact O-CB 3.32Å; N114-A118 PolarHBondContact O-N 2.88Å; A115-A118 PolarHBondContact O-N 3.33Å; A118-D121 PolarHBondContact O-N 3.39Å; A118-A122 WeakPolarHBondContact O-CB 3.37Å; A118-A122 PolarHBondContact O-N 3.48Å
119	Y	81.4	Confident	73.6	Confident	165 Å²	165	82.8 Å²	82.8	65%	0.647	45%	0.451	S	S	*	.	H	α-helix	trans	-62.8	-43.5	173.3	-180	-99.2	0	0	0	111.8	A115 D117 A122 V123	A115-Y119 VanDerWaalsContact O-CB 3.3Å; A115-Y119 WeakPolarHBondContact O-CB 3.32Å; A115-Y119 PolarHBondContact O-N 2.87Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 PolarHBondContact O-N 3.27Å; Y119-A122 PolarHBondContact O-N 3.01Å; Y119-V123 HydrophobicContact CD1-CG2 4.19Å; Y119-V123 HydrophobicContact CD2-CG2 4.44Å; Y119-V123 HydrophobicContact CE1-CG2 3.76Å; Y119-V123 HydrophobicContact CE2-CG2 4.04Å; Y119-V123 WeakPolarHBondContact O-CG2 3.37Å; Y119-V123 PolarHBondContact O-N 3.11Å
120	R	80.1	Confident	72.6	Confident	146 Å²	146	81 Å²	81	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-63.6	-42.6	175	-77.9	-176.8	-80	164.8	-12	112.3	Q116 D117 A122 V123 S124	Q116-R120 WeakPolarHBondContact O-CG 3.45Å; Q116-R120 PolarHBondContact O-N 3.39Å; Q116-R120 VanDerWaalsContact O-N 3.16Å; Q116-R120 PolarHBondContact O-NE 3.43Å; D117-R120 WeakPolarHBondContact O-CB 3.45Å; D117-R120 PolarHBondContact O-N 3.48Å; D117-R120 VanDerWaalsContact O-N 3.12Å; D117-R120 IonicContact OD1-CZ 3.19Å; D117-R120 IonicContact OD1-NE 3.8Å; D117-R120 IonicContact OD1-NH1 3.38Å; D117-R120 IonicContact OD1-NH2 2.57Å; D117-R120 PolarHBondContact OD1-NH2 3.28Å; R120-A122 VanDerWaalsContact C-N 3.3Å; R120-A122 PolarHBondContact O-N 3.04Å; R120-V123 PolarHBondContact O-N 2.86Å; R120-S124 WeakPolarHBondContact O-CB 3.25Å; R120-S124 PolarHBondContact O-N 3.45Å; R120-S124 PolarHBondContact O-OG 3.12Å
121	D	76.2	Confident	72	Confident	28 Å²	28	86.4 Å²	86.4	15%	0.15	47%	0.466	C	S	.	.	H	α-helix	trans	-60.5	-41.6	176	-66	-23.2	0	0	0	110.3	D117 A118 S124 A125 R582	D117-D121 VanDerWaalsContact O-CG 3.23Å; D117-D121 PolarHBondContact O-N 2.98Å; A118-D121 PolarHBondContact O-N 3.39Å; D121-S124 PolarHBondContact O-OG 3.16Å; D121-S124 VanDerWaalsContact O-OG 3.11Å; D121-A125 PolarHBondContact O-N 2.94Å; D121-R582 IonicContact OD2-CZ 3.37Å; D121-R582 IonicContact OD2-NE 2.76Å; D121-R582 PolarHBondContact OD2-NE 3.34Å; D121-R582 IonicContact OD2-NH2 2.64Å; D121-R582 PolarHBondContact OD2-NH2 2.97Å
122	A	73.7	Confident	71.5	Confident	65 Å²	65	91.2 Å²	91.2	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-69.5	-42.2	177.4	0	0	0	0	0	113.6	A118 Y119 R120 S124 A125	A118-A122 WeakPolarHBondContact O-CB 3.37Å; A118-A122 PolarHBondContact O-N 3.48Å; Y119-A122 PolarHBondContact O-N 3.01Å; R120-A122 VanDerWaalsContact C-N 3.3Å; R120-A122 PolarHBondContact O-N 3.04Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-A125 VanDerWaalsContact O-CB 3.25Å; A122-A125 WeakPolarHBondContact O-CB 3.47Å; A122-A125 PolarHBondContact O-N 2.88Å
123	V	76.1	Confident	70.5	Confident	98 Å²	98	90.7 Å²	90.7	59%	0.594	49%	0.486	S	S	*	.	H	α-helix	trans	-68.3	-33.5	177.7	171.3	0	0	0	0	111.9	Y119 R120 A125	Y119-V123 HydrophobicContact CD1-CG2 4.19Å; Y119-V123 HydrophobicContact CD2-CG2 4.44Å; Y119-V123 HydrophobicContact CE1-CG2 3.76Å; Y119-V123 HydrophobicContact CE2-CG2 4.04Å; Y119-V123 WeakPolarHBondContact O-CG2 3.37Å; Y119-V123 PolarHBondContact O-N 3.11Å; R120-V123 PolarHBondContact O-N 2.86Å; V123-A125 VanDerWaalsContact C-N 3.29Å
124	S	71.6	Confident	70	Confident	47 Å²	47	96.7 Å²	96.7	33%	0.329	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-7.2	176.4	63.2	0	0	0	0	113.9	R120 D121 A122 N126	R120-S124 WeakPolarHBondContact O-CB 3.25Å; R120-S124 PolarHBondContact O-N 3.45Å; R120-S124 PolarHBondContact O-OG 3.12Å; D121-S124 PolarHBondContact O-OG 3.16Å; D121-S124 VanDerWaalsContact O-OG 3.11Å; A122-S124 VanDerWaalsContact C-N 3.33Å; S124-N126 PolarHBondContact O-N 3.26Å; S124-N126 VanDerWaalsContact O-N 3.12Å
125	A	67.9	Low	69.5	Low	35 Å²	35	102.3 Å²	102.3	29%	0.289	55%	0.547	S	S	.	.			trans	-68.4	107.3	175.9	0	0	0	0	0	109.8	D121 A122 V123 Y127 F579	D121-A125 PolarHBondContact O-N 2.94Å; A122-A125 VanDerWaalsContact O-CB 3.25Å; A122-A125 WeakPolarHBondContact O-CB 3.47Å; A122-A125 PolarHBondContact O-N 2.88Å; V123-A125 VanDerWaalsContact C-N 3.29Å; A125-Y127 HydrophobicContact CB-CD2 4.31Å; A125-Y127 HydrophobicContact CB-CE2 4.23Å; A125-F579 HydrophobicContact CB-CD2 3.63Å; A125-F579 HydrophobicContact CB-CE2 4.11Å
126	N	64.4	Low	68.7	Low	138 Å²	138	104 Å²	104	74%	0.738	54%	0.543	S	S	*	.			trans	-114	84.2	175.2	-170.2	21.6	0	0	0	109.2	S124	S124-N126 PolarHBondContact O-N 3.26Å; S124-N126 VanDerWaalsContact O-N 3.12Å
127	Y	63.5	Low	67.4	Low	142 Å²	142	103 Å²	103	56%	0.557	55%	0.546	S	S	*	.			trans	-95.4	147.8	170.4	-68.7	-77.9	0	0	0	109.6	A125 E129 F579	A125-Y127 HydrophobicContact CB-CD2 4.31Å; A125-Y127 HydrophobicContact CB-CE2 4.23Å; Y127-E129 PolarHBondContact O-N 3.15Å; Y127-F579 HydrophobicContact CE2-CB 4.44Å; Y127-F579 HydrophobicContact CE2-CD1 4.43Å; Y127-F579 AromaticContact CE2-CD2 3.95Å; Y127-F579 HydrophobicContact CE2-CD2 3.95Å; Y127-F579 HydrophobicContact CE2-CE2 4.29Å; Y127-F579 AromaticContact CE2-CG 4Å; Y127-F579 HydrophobicContact CE2-CG 4Å; Y127-F579 AromaticContact CZ-CG 3.93Å; Y127-F579 WeakPolarHBondContact OH-CD1 3.45Å; Y127-F579 WeakPolarHBondContact OH-CE1 3.18Å; Y127-F579 WeakPolarHBondContact OH-CG 3.39Å
128	P	61.4	Low	66.4	Low	87 Å²	87	110.2 Å²	110.2	57%	0.565	58%	0.576	S	S	*	*			trans	-59.7	130.5	160.1	27.3	-31.5	0	0	0	108.4	V130	P128-V130 PolarHBondContact O-N 3.32Å; P128-V130 VanDerWaalsContact O-N 3.09Å
129	E	55.8	Low	65.3	Low	150 Å²	150	110.7 Å²	110.7	70%	0.701	57%	0.574	S	S	*	*			trans	-63.2	111.5	167.3	-70.6	179.2	160.4	0	0	108.1	Y127 Y131	Y127-E129 PolarHBondContact O-N 3.15Å; E129-Y131 HydrophobicContact CB-CD2 4.35Å; E129-Y131 HydrophobicContact CB-CE2 3.59Å; E129-Y131 WeakPolarHBondContact O-CD2 3.09Å; E129-Y131 PolarHBondContact OE2-OH 3.07Å
130	V	57.7	Low	63.6	Low	89 Å²	89	110.7 Å²	110.7	54%	0.539	58%	0.578	S	S	.	*			trans	-90.3	112.5	176.3	-175.8	0	0	0	0	107.9	P128	P128-V130 PolarHBondContact O-N 3.32Å; P128-V130 VanDerWaalsContact O-N 3.09Å
131	Y	60	Low	62	Low	170 Å²	170	112.1 Å²	112.1	67%	0.667	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-90	153.2	174	-63.7	-87.7	0	0	0	110.2	E129	E129-Y131 HydrophobicContact CB-CD2 4.35Å; E129-Y131 HydrophobicContact CB-CE2 3.59Å; E129-Y131 WeakPolarHBondContact O-CD2 3.09Å; E129-Y131 PolarHBondContact OE2-OH 3.07Å
132	L	62	Low	60.7	Low	148 Å²	148	116.5 Å²	116.5	78%	0.775	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-56	140.2	167.4	-72.7	169.7	0	0	0	109.1	T170	L132-T170 HydrophobicContact CD2-CG2 4Å
133	P	62.1	Low	59.1	Low	77 Å²	77	115 Å²	115	50%	0.5	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-58.4	152.2	175.1	26.1	-33.4	0	0	0	110	T135 T170	P133-T135 PolarHBondContact O-N 2.91Å; P133-T170 VanDerWaalsContact CD-CG2 3.41Å; P133-T170 HydrophobicContact CG-CG2 3.48Å; P133-T170 VanDerWaalsContact CG-CG2 3.48Å
134	L	66.8	Low	57.6	Low	167 Å²	167	118.2 Å²	118.2	87%	0.874	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-55.1	135.2	168.2	-63.6	173.3	0	0	0	108.5	F136	L134-F136 PolarHBondContact O-N 3.41Å
135	T	64	Low	56.1	Low	131 Å²	131	124.7 Å²	124.7	80%	0.804	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.1	133.5	172.8	50.5	0	0	0	0	108.5	P133	P133-T135 PolarHBondContact O-N 2.91Å
136	F	60.6	Low	54.8	Low	97 Å²	97	128.7 Å²	128.7	43%	0.425	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-51	136.6	167.7	-74.9	-73.7	0	0	0	108.2	L134 A165 P168	L134-F136 PolarHBondContact O-N 3.41Å; F136-A165 HydrophobicContact CB-CB 4.37Å; F136-P168 HydrophobicContact CD2-CB 4.49Å
137	P	57.9	Low	53.6	Low	93 Å²	93	130.1 Å²	130.1	60%	0.604	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-51.1	150.7	164.3	1.7	2.5	0	0	0	107.8
138	K	56.5	Low	52.6	Low	192 Å²	192	128.4 Å²	128.4	84%	0.835	67%	0.665	S	S	*	*	S	Bend	trans	-39.7	140.5	163	-73.1	-177.4	179.7	-179.5	0	108	F140	K138-F140 PolarHBondContact O-N 2.83Å
139	P	52.1	Low	51.5	Low	59 Å²	59	128.7 Å²	128.7	38%	0.383	67%	0.669	S	S	.	*	S	Bend	trans	-38.3	122.6	-170	15.4	-31	0	0	0	108.1	E141 A165	P139-E141 VanDerWaalsContact C-N 3.26Å; P139-E141 PolarHBondContact O-N 3.12Å; P139-A165 HydrophobicContact CB-CB 4.22Å
140	F	46.6	Very low	51.1	Low	165 Å²	165	126.3 Å²	126.3	72%	0.724	67%	0.669	S	S	*	*			trans	-52.2	104.2	-179.2	-161.9	-91.1	0	0	0	104.7	K138 I142	K138-F140 PolarHBondContact O-N 2.83Å; F140-I142 HydrophobicContact CD1-CG1 4.4Å; F140-I142 PolarHBondContact O-N 3.21Å
141	E	45.9	Very low	50.4	Low	176 Å²	176	129.2 Å²	129.2	82%	0.822	68%	0.68	S	S	*	*			trans	-59	107	161.6	-76.5	178.2	-177.4	0	0	100.3	P139 G143	P139-E141 VanDerWaalsContact C-N 3.26Å; P139-E141 PolarHBondContact O-N 3.12Å; E141-G143 PolarHBondContact O-N 3.2Å
142	I	47.6	Very low	49.9	Very low	120 Å²	120	125.6 Å²	125.6	62%	0.615	69%	0.686	S	S	*	*			trans	-58.6	89.1	163.1	-61.2	170.6	0	0	0	101.2	F140 D144	F140-I142 HydrophobicContact CD1-CG1 4.4Å; F140-I142 PolarHBondContact O-N 3.21Å; I142-D144 PolarHBondContact O-N 3.41Å
143	G	41.2	Very low	49.7	Very low	33 Å²	33	127 Å²	127	34%	0.34	69%	0.685	S	S	.	*			trans	-54	142.8	-179.4	0	0	0	0	0	104.8	E141 Q145 I146	E141-G143 PolarHBondContact O-N 3.2Å; G143-Q145 PolarHBondContact O-N 3.1Å; G143-I146 PolarHBondContact O-N 3.2Å
144	D	45.4	Very low	49.6	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	13.3	172.9	-64.9	-44.2	0	0	0	113.7	I142	I142-D144 PolarHBondContact O-N 3.41Å
145	Q	39	Very low	49.7	Very low	182 Å²	182	126.6 Å²	126.6	85%	0.85	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-11.7	-178.2	-66	-87.2	-47.9	0	0	113.8	G143 E147	G143-Q145 PolarHBondContact O-N 3.1Å; Q145-E147 PolarHBondContact O-N 2.9Å; Q145-E147 VanDerWaalsContact O-N 3.13Å
146	I	41.1	Very low	50	Low	120 Å²	120	121.2 Å²	121.2	62%	0.615	65%	0.65	S	S	*	*			trans	-84.3	81.2	160.8	-44.4	-177.8	0	0	0	107	G143 V148	G143-I146 PolarHBondContact O-N 3.2Å; I146-V148 HydrophobicContact CB-CG2 4.29Å; I146-V148 HydrophobicContact CG2-CB 4.5Å; I146-V148 HydrophobicContact CG2-CG2 3.34Å; I146-V148 PolarHBondContact O-N 3.32Å
147	E	38.7	Very low	50.8	Low	168 Å²	168	123.3 Å²	123.3	79%	0.785	66%	0.655	S	S	*	*			trans	-60.1	87	152.8	-77	-174	165.4	0	0	106.5	Q145 S149	Q145-E147 PolarHBondContact O-N 2.9Å; Q145-E147 VanDerWaalsContact O-N 3.13Å; E147-S149 PolarHBondContact O-N 3.2Å
148	V	41.6	Very low	51.9	Low	106 Å²	106	120.3 Å²	120.3	64%	0.642	63%	0.632	S	S	*	*			trans	-71.8	70.7	161.9	-172	0	0	0	0	105.8	I146 S150	I146-V148 HydrophobicContact CB-CG2 4.29Å; I146-V148 HydrophobicContact CG2-CB 4.5Å; I146-V148 HydrophobicContact CG2-CG2 3.34Å; I146-V148 PolarHBondContact O-N 3.32Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 2.89Å
149	S	39	Very low	52.9	Low	93 Å²	93	117 Å²	117	65%	0.65	62%	0.624	S	S	*	*			trans	-64.8	93.5	170.6	55.6	0	0	0	0	106.9	E147	E147-S149 PolarHBondContact O-N 3.2Å
150	S	48	Very low	54.1	Low	100 Å²	100	116.5 Å²	116.5	70%	0.699	62%	0.62	S	S	*	*	S	Bend	trans	63.1	114.7	177.6	77	0	0	0	0	115.9	V148	V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 2.89Å
151	L	42.5	Very low	55.5	Low	150 Å²	150	111 Å²	111	79%	0.785	60%	0.601	S	S	*	*	S	Bend	trans	172.4	154.1	135.9	-114.2	64.6	0	0	0	107	K153	L151-K153 PolarHBondContact O-N 3.36Å
152	A	50.3	Low	57.3	Low	94 Å²	94	103.3 Å²	103.3	78%	0.777	57%	0.565	S	S	*	*	S	Bend	trans	-29.5	130	178.7	0	0	0	0	0	113	M154	A152-M154 PolarHBondContact O-N 2.89Å
153	K	56.7	Low	58.9	Low	176 Å²	176	99.1 Å²	99.1	77%	0.765	54%	0.543	S	S	*	.			trans	-34.9	114.7	174.3	-84.8	-173.9	171.2	-168	0	108.5	L151	L151-K153 PolarHBondContact O-N 3.36Å
154	M	60.1	Low	61	Low	145 Å²	145	100.9 Å²	100.9	71%	0.714	54%	0.54	S	S	*	.			trans	-51.2	133.8	176.7	-171.9	171.6	179.8	0	0	107.3	A152 C156 T160	A152-M154 PolarHBondContact O-N 2.89Å; M154-C156 PolarHBondContact O-N 3.1Å; M154-T160 HydrophobicContact CE-CG2 3.8Å; M154-T160 HydrophobicContact SD-CG2 4.34Å
155	P	69.5	Low	62.7	Low	92 Å²	92	94.3 Å²	94.3	60%	0.597	51%	0.509	S	S	*	.			trans	-59.1	110.6	-176.7	21.9	-32.3	0	0	0	109.1	R157	P155-R157 PolarHBondContact O-N 3.42Å
156	C	69.7	Low	64.8	Low	18 Å²	18	86.7 Å²	86.7	12%	0.122	48%	0.475	C	S	.	.			trans	-68.9	114.9	-176	-173.4	0	0	0	0	109.1	M154 C161 D253 W270	M154-C156 PolarHBondContact O-N 3.1Å; C156-C161 WeakPolarHBondContact CA-SG 3.45Å; C156-C161 HydrophobicContact CB-CB 4.3Å; C156-C161 WeakPolarHBondContact CB-SG 3.21Å; C156-C161 WeakPolarHBondContact SG-CB 3.38Å; C156-C161 CovalentContact SG-SG 2.02Å; C156-C161 PolarHBondContact SG-SG 2.82Å; C156-D253 HydrophobicContact CB-CB 4.28Å; C156-W270 HydrophobicContact CB-CZ2 4.37Å; C156-W270 PolarHBondContact O-NE1 3.37Å; C156-W270 VanDerWaalsContact SG-CZ2 3.52Å
157	R	78.3	Confident	66.9	Low	141 Å²	141	81.2 Å²	81.2	53%	0.532	45%	0.447	S	S	.	.			trans	-131.8	172.1	-176.9	-71.3	-176.2	175.7	-171.7	-0.7	110.2	P155 D159 T160 C161	P155-R157 PolarHBondContact O-N 3.42Å; R157-D159 WeakPolarHBondContact CB-OD1 3.25Å; R157-D159 PolarHBondContact O-N 3.32Å; R157-T160 PolarHBondContact N-OG1 2.92Å; R157-T160 PolarHBondContact O-N 3.49Å; R157-T160 VanDerWaalsContact O-N 3.08Å; R157-T160 PolarHBondContact O-OG1 2.78Å; R157-C161 PolarHBondContact O-N 3.4Å
158	F	80.8	Confident	68.9	Low	29 Å²	29	75.1 Å²	75.1	13%	0.127	42%	0.423	C	S	.	.	H	α-helix	trans	-55	-40.8	176.9	-78.2	-71.3	0	0	0	112.5	T160 W162 Y164 I256 T269 R481 L482	F158-T160 VanDerWaalsContact C-N 3.26Å; F158-T160 PolarHBondContact O-N 3.27Å; F158-W162 HydrophobicContact CB-CB 4.33Å; F158-W162 HydrophobicContact CD1-CB 3.76Å; F158-W162 AromaticContact CD1-CD2 3.75Å; F158-W162 HydrophobicContact CD1-CD2 3.75Å; F158-W162 AromaticContact CD1-CE3 3.91Å; F158-W162 HydrophobicContact CD1-CE3 3.91Å; F158-W162 AromaticContact CD1-CG 3.72Å; F158-W162 HydrophobicContact CD1-CG 3.72Å; F158-W162 AromaticContact CE1-CD2 3.81Å; F158-W162 HydrophobicContact CE1-CD2 3.81Å; F158-W162 AromaticContact CE1-CE3 3.65Å; F158-W162 HydrophobicContact CE1-CE3 3.65Å; F158-W162 HydrophobicContact CE1-CG 4.28Å; F158-W162 HydrophobicContact CE1-CH2 4.4Å; F158-W162 AromaticContact CE1-CZ3 3.99Å; F158-W162 HydrophobicContact CE1-CZ3 3.99Å; F158-W162 WeakPolarHBondContact O-CB 3.24Å; F158-W162 PolarHBondContact O-N 3.18Å; F158-Y164 WeakPolarHBondContact O-CE2 3.25Å; F158-I256 HydrophobicContact CE1-CD1 3.74Å; F158-I256 HydrophobicContact CZ-CD1 3.59Å; F158-I256 HydrophobicContact CZ-CG1 4.33Å; F158-T269 HydrophobicContact CD2-CG2 3.76Å; F158-T269 HydrophobicContact CE2-CG2 3.88Å; F158-T269 WeakPolarHBondContact CE2-O 3.37Å; F158-T269 HydrophobicContact CG-CG2 4.49Å; F158-R481 HydrophobicContact CE2-CB 4.39Å; F158-R481 HydrophobicContact CZ-CB 4.26Å; F158-L482 HydrophobicContact CD1-CD2 4.11Å; F158-L482 HydrophobicContact CE1-CD2 3.98Å
159	D	77.4	Confident	70.8	Confident	123 Å²	123	74 Å²	74	66%	0.658	41%	0.412	S	S	*	.	H	α-helix	trans	-67.3	-20.9	179.1	55.4	-59.3	0	0	0	114.7	R157	R157-D159 WeakPolarHBondContact CB-OD1 3.25Å; R157-D159 PolarHBondContact O-N 3.32Å
160	T	77.4	Confident	72.6	Confident	49 Å²	49	72.7 Å²	72.7	30%	0.301	40%	0.4	S	S	.	.	H	α-helix	trans	-112.2	-37.1	-174.1	45.8	0	0	0	0	113.9	M154 R157 F158	M154-T160 HydrophobicContact CE-CG2 3.8Å; M154-T160 HydrophobicContact SD-CG2 4.34Å; R157-T160 PolarHBondContact N-OG1 2.92Å; R157-T160 PolarHBondContact O-N 3.49Å; R157-T160 VanDerWaalsContact O-N 3.08Å; R157-T160 PolarHBondContact O-OG1 2.78Å; F158-T160 VanDerWaalsContact C-N 3.26Å; F158-T160 PolarHBondContact O-N 3.27Å
161	C	76.2	Confident	74.1	Confident	48 Å²	48	69 Å²	69	32%	0.324	38%	0.376	S	S	.	.	H	α-helix	trans	-113.3	-16.2	-172.5	-67.2	0	0	0	0	114.2	C156 R157 E254 W270	C156-C161 WeakPolarHBondContact CA-SG 3.45Å; C156-C161 HydrophobicContact CB-CB 4.3Å; C156-C161 WeakPolarHBondContact CB-SG 3.21Å; C156-C161 WeakPolarHBondContact SG-CB 3.38Å; C156-C161 CovalentContact SG-SG 2.02Å; C156-C161 PolarHBondContact SG-SG 2.82Å; R157-C161 PolarHBondContact O-N 3.4Å; C161-E254 HydrophobicContact CB-CG 4.38Å; C161-W270 HydrophobicContact CB-CH2 4.11Å; C161-W270 HydrophobicContact CB-CZ2 4.05Å
162	W	81.8	Confident	75.9	Confident	16 Å²	16	65.9 Å²	65.9	6%	0.061	37%	0.365	C	S	.	.			trans	-87.1	132.4	-178.7	-169.4	-91.7	0	0	0	111.2	F158 Y164 V210 N234 I256 W270 L478 L482	F158-W162 HydrophobicContact CB-CB 4.33Å; F158-W162 HydrophobicContact CD1-CB 3.76Å; F158-W162 AromaticContact CD1-CD2 3.75Å; F158-W162 HydrophobicContact CD1-CD2 3.75Å; F158-W162 AromaticContact CD1-CE3 3.91Å; F158-W162 HydrophobicContact CD1-CE3 3.91Å; F158-W162 AromaticContact CD1-CG 3.72Å; F158-W162 HydrophobicContact CD1-CG 3.72Å; F158-W162 AromaticContact CE1-CD2 3.81Å; F158-W162 HydrophobicContact CE1-CD2 3.81Å; F158-W162 AromaticContact CE1-CE3 3.65Å; F158-W162 HydrophobicContact CE1-CE3 3.65Å; F158-W162 HydrophobicContact CE1-CG 4.28Å; F158-W162 HydrophobicContact CE1-CH2 4.4Å; F158-W162 AromaticContact CE1-CZ3 3.99Å; F158-W162 HydrophobicContact CE1-CZ3 3.99Å; F158-W162 WeakPolarHBondContact O-CB 3.24Å; F158-W162 PolarHBondContact O-N 3.18Å; W162-Y164 HydrophobicContact CB-CE2 4.21Å; W162-Y164 AromaticContact CD1-CD2 3.99Å; W162-Y164 AromaticContact CD1-CE2 3.95Å; W162-Y164 HydrophobicContact CG-CE2 4.46Å; W162-Y164 PolarHBondContact O-N 3.48Å; W162-V210 HydrophobicContact CH2-CG1 4.32Å; W162-V210 HydrophobicContact CH2-CG2 4.18Å; W162-V210 HydrophobicContact CZ2-CG2 3.77Å; W162-N234 HydrophobicContact CD2-CB 4.17Å; W162-N234 HydrophobicContact CE3-CB 4.22Å; W162-N234 HydrophobicContact CH2-CB 3.53Å; W162-N234 HydrophobicContact CZ2-CB 3.42Å; W162-N234 VanDerWaalsContact CZ2-CB 3.42Å; W162-N234 HydrophobicContact CZ3-CB 3.91Å; W162-N234 PolarHBondContact NE1-ND2 3.38Å; W162-I256 HydrophobicContact CE3-CD1 4.34Å; W162-I256 HydrophobicContact CH2-CD1 3.57Å; W162-I256 HydrophobicContact CH2-CG1 4.45Å; W162-I256 HydrophobicContact CZ3-CD1 3.41Å; W162-I256 VanDerWaalsContact CZ3-CD1 3.41Å; W162-I256 HydrophobicContact CZ3-CG1 3.92Å; W162-W270 HydrophobicContact CE3-CZ3 4.18Å; W162-W270 HydrophobicContact CZ3-CZ3 4.44Å; W162-L478 HydrophobicContact CH2-CD1 4.33Å; W162-L482 HydrophobicContact CD2-CD2 4.22Å; W162-L482 VanDerWaalsContact CE2-CD2 3.46Å; W162-L482 HydrophobicContact CG-CD2 4.44Å; W162-L482 HydrophobicContact CZ2-CD1 3.84Å; W162-L482 HydrophobicContact CZ2-CD2 3.69Å; W162-L482 HydrophobicContact CZ2-CG 4.34Å; W162-L482 VanDerWaalsContact NE1-CD2 3.32Å
163	N	82.2	Confident	77.6	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	33%	0.333	C	S	.	.			trans	-84.7	104.3	177.8	-176.5	3.8	0	0	0	110.1	A165 P166 S232 N234	N163-A165 VanDerWaalsContact OD1-CB 3.26Å; N163-A165 WeakPolarHBondContact OD1-CB 3.32Å; N163-A165 PolarHBondContact OD1-N 3.2Å; N163-A165 VanDerWaalsContact OD1-N 3.12Å; N163-P166 WeakPolarHBondContact O-CD 3.31Å; N163-P166 WeakPolarHBondContact OD1-CD 3.09Å; N163-S232 PolarHBondContact ND2-O 3.09Å; N163-N234 PolarHBondContact N-OD1 3.12Å; N163-N234 PolarHBondContact O-ND2 3.21Å
164	Y	84.6	Confident	79.1	Confident	70 Å²	70	55 Å²	55	28%	0.275	30%	0.302	S	S	.	.			trans	-80.6	-12.4	177.6	-75.8	-86.1	0	0	0	114.5	F158 W162 C167 L482	F158-Y164 WeakPolarHBondContact O-CE2 3.25Å; W162-Y164 HydrophobicContact CB-CE2 4.21Å; W162-Y164 AromaticContact CD1-CD2 3.99Å; W162-Y164 AromaticContact CD1-CE2 3.95Å; W162-Y164 HydrophobicContact CG-CE2 4.46Å; W162-Y164 PolarHBondContact O-N 3.48Å; Y164-C167 CarbonylContact O-C 3.59Å; Y164-C167 WeakPolarHBondContact O-CA 3.48Å; Y164-C167 PolarHBondContact O-N 2.77Å; Y164-L482 HydrophobicContact CE1-CD2 4.32Å
165	A	82.1	Confident	80.5	Confident	29 Å²	29	48.2 Å²	48.2	24%	0.24	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-43	-179.2	0	0	0	0	0	114.4	F136 P139 N163 C167	F136-A165 HydrophobicContact CB-CB 4.37Å; P139-A165 HydrophobicContact CB-CB 4.22Å; N163-A165 VanDerWaalsContact OD1-CB 3.26Å; N163-A165 WeakPolarHBondContact OD1-CB 3.32Å; N163-A165 PolarHBondContact OD1-N 3.2Å; N163-A165 VanDerWaalsContact OD1-N 3.12Å; A165-C167 PolarHBondContact O-N 2.84Å
166	P	82.2	Confident	81.3	Confident	22 Å²	22	47.9 Å²	47.9	14%	0.143	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.2	174.2	33.4	-38.7	0	0	0	114.1	N163 P168 C209	N163-P166 WeakPolarHBondContact O-CD 3.31Å; N163-P166 WeakPolarHBondContact OD1-CD 3.09Å; P166-P168 WeakPolarHBondContact O-CD 3.32Å; P166-C209 VanDerWaalsContact O-CA 3.3Å; P166-C209 WeakPolarHBondContact O-CA 3.33Å; P166-C209 WeakPolarHBondContact O-CB 3.19Å
167	C	84.9	Confident	82.2	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.027	26%	0.262	C	S	.	.			trans	-119.2	53	-174	-62.5	0	0	0	0	113	Y164 A165 C209 I484	Y164-C167 CarbonylContact O-C 3.59Å; Y164-C167 WeakPolarHBondContact O-CA 3.48Å; Y164-C167 PolarHBondContact O-N 2.77Å; A165-C167 PolarHBondContact O-N 2.84Å; C167-C209 HydrophobicContact CB-CB 3.95Å; C167-C209 WeakPolarHBondContact CB-SG 3.46Å; C167-C209 WeakPolarHBondContact SG-CA 3.35Å; C167-C209 WeakPolarHBondContact SG-CB 3.36Å; C167-C209 PolarHBondContact SG-O 3.24Å; C167-C209 CovalentContact SG-SG 2.03Å; C167-C209 PolarHBondContact SG-SG 3.12Å; C167-I484 HydrophobicContact CB-CD1 4.12Å
168	P	81.9	Confident	82.6	Confident	41 Å²	41	42.1 Å²	42.1	27%	0.266	24%	0.241	S	C	.	.			trans	-68.2	139.4	-179.1	28.8	-32.5	0	0	0	111.6	F136 P166 T170 A171	F136-P168 HydrophobicContact CD2-CB 4.49Å; P166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-T170 PolarHBondContact O-N 2.8Å; P168-T170 VanDerWaalsContact O-N 3.14Å; P168-A171 HydrophobicContact CG-CB 3.68Å; P168-A171 PolarHBondContact O-N 2.65Å
169	I	80.3	Confident	82.8	Confident	81 Å²	81	47 Å²	47	42%	0.415	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.4	-179.9	-63.5	169.3	0	0	0	112.1	Y538	I169-Y538 HydrophobicContact CG2-CD1 3.61Å; I169-Y538 HydrophobicContact CG2-CE1 3.79Å; I169-Y538 HydrophobicContact CG2-CG 4.29Å
170	T	77.8	Confident	83.3	Confident	66 Å²	66	44 Å²	44	41%	0.405	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.4	178.5	50.1	0	0	0	0	114.3	L132 P133 P168	L132-T170 HydrophobicContact CD2-CG2 4Å; P133-T170 VanDerWaalsContact CD-CG2 3.41Å; P133-T170 HydrophobicContact CG-CG2 3.48Å; P133-T170 VanDerWaalsContact CG-CG2 3.48Å; P168-T170 PolarHBondContact O-N 2.8Å; P168-T170 VanDerWaalsContact O-N 3.14Å
171	A	79.1	Confident	84	Confident	22 Å²	22	42.8 Å²	42.8	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-101.3	153.5	178.6	0	0	0	0	0	110.9	P168	P168-A171 HydrophobicContact CG-CB 3.68Å; P168-A171 PolarHBondContact O-N 2.65Å
172	P	80.3	Confident	84.6	Confident	86 Å²	86	42.6 Å²	42.6	56%	0.558	26%	0.255	S	S	*	.			trans	-60.9	146.3	169.9	27.1	-34.5	0	0	0	110.6	S174	P172-S174 PolarHBondContact O-N 2.86Å
173	F	87.1	Confident	84.9	Confident	26 Å²	26	44 Å²	44	11%	0.114	28%	0.275	C	S	.	.			trans	-62.1	110.1	174.5	179.3	-115.8	0	0	0	110.4	V175 C209 V210 L475 L478 R479 L482 I484	F173-V175 HydrophobicContact CD1-CG1 4.26Å; F173-V175 HydrophobicContact CE1-CG1 3.53Å; F173-V175 HydrophobicContact CE2-CG1 4.32Å; F173-V175 HydrophobicContact CZ-CG1 3.57Å; F173-C209 HydrophobicContact CD2-CB 4.43Å; F173-C209 HydrophobicContact CE2-CB 4.49Å; F173-V210 HydrophobicContact CE2-CG2 3.95Å; F173-V210 HydrophobicContact CZ-CG2 4.25Å; F173-L475 HydrophobicContact CE1-CB 4.46Å; F173-L478 HydrophobicContact CZ-CD2 4.08Å; F173-L478 HydrophobicContact CZ-CG 4.21Å; F173-R479 HydrophobicContact CB-CG 3.94Å; F173-R479 HydrophobicContact CD1-CB 3.94Å; F173-R479 HydrophobicContact CD1-CG 4.23Å; F173-R479 HydrophobicContact CD2-CB 4.27Å; F173-R479 HydrophobicContact CD2-CG 4.29Å; F173-R479 HydrophobicContact CE1-CB 4.15Å; F173-R479 HydrophobicContact CE2-CB 4.46Å; F173-R479 HydrophobicContact CG-CB 4Å; F173-R479 HydrophobicContact CG-CG 3.89Å; F173-R479 HydrophobicContact CZ-CB 4.4Å; F173-L482 HydrophobicContact CE2-CD1 3.97Å; F173-I484 HydrophobicContact CB-CG2 4Å; F173-I484 HydrophobicContact CD2-CD1 3.8Å
174	S	87.4	Confident	85.2	Confident	16 Å²	16	49.8 Å²	49.8	11%	0.112	30%	0.301	C	S	.	.			trans	-108.7	138.1	-176.1	58.1	0	0	0	0	111.3	P172 A208 C209 V210	P172-S174 PolarHBondContact O-N 2.86Å; S174-A208 WeakPolarHBondContact OG-CA 3.41Å; S174-C209 WeakPolarHBondContact O-CB 2.99Å; S174-C209 PolarHBondContact O-N 3.44Å; S174-C209 PolarHBondContact OG-N 2.95Å; S174-C209 VanDerWaalsContact OG-N 3.07Å; S174-V210 PolarHBondContact O-N 3.21Å
175	V	89.2	Confident	85.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.1	179.1	-63.3	0	0	0	0	111.3	F173 V177 F200 V210 I212	F173-V175 HydrophobicContact CD1-CG1 4.26Å; F173-V175 HydrophobicContact CE1-CG1 3.53Å; F173-V175 HydrophobicContact CE2-CG1 4.32Å; F173-V175 HydrophobicContact CZ-CG1 3.57Å; V175-V177 HydrophobicContact CG2-CG2 4.39Å; V175-F200 HydrophobicContact CG2-CB 3.68Å; V175-F200 HydrophobicContact CG2-CD1 4.2Å; V175-F200 HydrophobicContact CG2-CG 4.17Å; V175-V210 CarbonylContact C-O 3.6Å; V175-V210 VanDerWaalsContact CA-O 3.25Å; V175-V210 WeakPolarHBondContact CA-O 3.34Å; V175-V210 HydrophobicContact CG1-CB 4.4Å; V175-I212 HydrophobicContact CB-CD1 4.5Å; V175-I212 HydrophobicContact CB-CG1 3.95Å; V175-I212 HydrophobicContact CG1-CD1 4.3Å; V175-I212 HydrophobicContact CG1-CG1 4.28Å; V175-I212 HydrophobicContact CG2-CG1 4.5Å
176	I	87.4	Confident	85.8	Confident	85 Å²	85	53.3 Å²	53.3	44%	0.436	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.6	164.4	-72.2	152.7	0	0	0	107.4	A208 V210 N211 I212	I176-A208 HydrophobicContact CB-CB 4.41Å; I176-A208 HydrophobicContact CD1-CB 3.77Å; I176-A208 HydrophobicContact CG1-CB 3.49Å; I176-A208 VanDerWaalsContact CG1-CB 3.49Å; I176-V210 PolarHBondContact N-O 3.26Å; I176-N211 WeakPolarHBondContact CG2-OD1 3.46Å; I176-I212 WeakPolarHBondContact O-CB 3.39Å; I176-I212 PolarHBondContact O-N 3Å
177	V	87.6	Confident	86.2	Confident	26 Å²	26	58.2 Å²	58.2	16%	0.158	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-80.2	133.1	176.8	174	0	0	0	0	109.4	V175 L196 Q197 F200	V175-V177 HydrophobicContact CG2-CG2 4.39Å; V177-L196 HydrophobicContact CG1-CB 3.8Å; V177-Q197 HydrophobicContact CG1-CB 4.35Å; V177-Q197 HydrophobicContact CG1-CG 3.51Å; V177-F200 HydrophobicContact CG2-CB 4.09Å
178	P	86.3	Confident	86.6	Confident	13 Å²	13	58.1 Å²	58.1	8%	0.084	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.3	144.2	177.9	26.1	-33.8	0	0	0	111.2	V193 L196 I212 V214	P178-V193 HydrophobicContact CG-CG2 4.19Å; P178-L196 HydrophobicContact CG-CD1 3.66Å; P178-I212 WeakPolarHBondContact CB-O 3.47Å; P178-I212 WeakPolarHBondContact CD-O 3.34Å; P178-I212 HydrophobicContact CG-CG2 4.5Å; P178-V214 HydrophobicContact CG-CG2 4.17Å
179	T	85	Confident	87.2	Confident	132 Å²	132	56.2 Å²	56.2	81%	0.81	34%	0.338	S	S	*	.	S	Bend	trans	-83	-29.9	172.9	51.8	0	0	0	0	112.3
180	A	87.8	Confident	87.8	Confident	60 Å²	60	55 Å²	55	50%	0.496	34%	0.34	S	S	.	.	S	Bend	trans	-153.6	164.5	-178.3	0	0	0	0	0	111.7
181	V	92.2	Very high	88.6	Confident	23 Å²	23	55 Å²	55	14%	0.139	34%	0.335	C	S	.	.			trans	-71.9	137.3	170.6	-177.2	0	0	0	0	109.2	V193 V214	V181-V193 HydrophobicContact CG2-CG2 4.05Å; V181-V214 HydrophobicContact CG1-CG1 4.25Å; V181-V214 HydrophobicContact CG2-CG1 4.29Å
182	V	89.6	Confident	89.4	Confident	44 Å²	44	54 Å²	54	27%	0.267	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-85.8	123.5	172.9	-172.4	0	0	0	0	108.6	V214 S216 A220 L224	V182-V214 PolarHBondContact N-O 3.42Å; V182-S216 PolarHBondContact O-N 3.08Å; V182-S216 VanDerWaalsContact O-N 3.13Å; V182-S216 PolarHBondContact O-OG 2.73Å; V182-A220 HydrophobicContact CB-CB 4.42Å; V182-A220 HydrophobicContact CG1-CB 4.05Å; V182-A220 WeakPolarHBondContact O-CB 3.44Å; V182-L224 HydrophobicContact CB-CD1 4.35Å; V182-L224 HydrophobicContact CG1-CD1 4.49Å; V182-L224 HydrophobicContact CG1-CG 4.24Å; V182-L224 HydrophobicContact CG2-CD1 4.32Å; V182-L224 HydrophobicContact CG2-CD2 4.13Å; V182-L224 HydrophobicContact CG2-CG 4.39Å
183	G	88.8	Confident	90.1	Very high	45 Å²	45	50.4 Å²	50.4	46%	0.464	30%	0.303	S	S	.	.	S	Bend	trans	103.4	-153.4	-171.4	0	0	0	0	0	111.7
184	E	87.9	Confident	90.5	Very high	154 Å²	154	53.5 Å²	53.5	72%	0.72	32%	0.317	S	S	*	.	S	Bend	trans	-69.9	135.4	175.9	-67.3	-171.7	176.3	0	0	110.7	T186 S216	E184-T186 PolarHBondContact O-N 3.44Å; E184-S216 PolarHBondContact N-OG 2.75Å; E184-S216 VanDerWaalsContact N-OG 3.08Å; E184-S216 VanDerWaalsContact O-CB 3.28Å; E184-S216 WeakPolarHBondContact O-CB 3.22Å; E184-S216 PolarHBondContact O-OG 3.07Å
185	P	88.3	Confident	90.8	Very high	125 Å²	125	52.7 Å²	52.7	81%	0.812	31%	0.312	S	S	*	.			trans	-64.1	115.5	173.8	-21.1	32.7	0	0	0	111.1
186	T	90.8	Very high	91	Very high	47 Å²	47	52.7 Å²	52.7	29%	0.288	31%	0.312	S	S	.	.			trans	-107.8	152.7	174	64.3	0	0	0	0	110.9	E184 V188 G189 A190	E184-T186 PolarHBondContact O-N 3.44Å; T186-V188 PolarHBondContact O-N 3.37Å; T186-G189 PolarHBondContact O-N 3.36Å; T186-G189 PolarHBondContact OG1-N 2.79Å; T186-G189 VanDerWaalsContact OG1-N 3.07Å; T186-A190 WeakPolarHBondContact O-CB 3.46Å; T186-A190 PolarHBondContact O-N 3.18Å
187	M	91.7	Very high	91.2	Very high	126 Å²	126	52.2 Å²	52.2	62%	0.621	31%	0.308	S	S	*	.	H	α-helix	trans	-56.5	-40.6	175.4	-178.1	177.7	64.4	0	0	111.5	A190 K191 V281	M187-A190 PolarHBondContact O-N 3.21Å; M187-K191 PolarHBondContact O-N 2.82Å; M187-V281 HydrophobicContact CE-CG1 3.78Å; M187-V281 HydrophobicContact CG-CG1 4.29Å; M187-V281 HydrophobicContact SD-CG1 4.4Å
188	V	92.3	Very high	91.3	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-49.1	177.4	-178.9	0	0	0	0	111.5	T186 A190 K191 V192 V240 L277 Q278 V281	T186-V188 PolarHBondContact O-N 3.37Å; V188-A190 VanDerWaalsContact C-N 3.29Å; V188-A190 PolarHBondContact O-N 3.19Å; V188-K191 PolarHBondContact O-N 3.19Å; V188-K191 VanDerWaalsContact O-N 3.13Å; V188-V192 WeakPolarHBondContact O-CG2 3.33Å; V188-V192 PolarHBondContact O-N 3.36Å; V188-V240 HydrophobicContact CG1-CB 4.04Å; V188-V240 HydrophobicContact CG1-CG1 3.93Å; V188-L277 HydrophobicContact CG1-CB 3.65Å; V188-Q278 HydrophobicContact CG2-CB 4.29Å; V188-V281 HydrophobicContact CB-CG2 4.41Å; V188-V281 HydrophobicContact CG1-CG2 4.2Å; V188-V281 HydrophobicContact CG2-CB 4.23Å; V188-V281 HydrophobicContact CG2-CG2 4.16Å
189	G	93.8	Very high	91.3	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.8	-41.5	178.4	0	0	0	0	0	111.8	T186 K191 V192 V193	T186-G189 PolarHBondContact O-N 3.36Å; T186-G189 PolarHBondContact OG1-N 2.79Å; T186-G189 VanDerWaalsContact OG1-N 3.07Å; G189-K191 VanDerWaalsContact C-N 3.35Å; G189-K191 PolarHBondContact O-N 3.3Å; G189-V192 PolarHBondContact O-N 3.22Å; G189-V193 WeakPolarHBondContact O-CG2 3.45Å; G189-V193 PolarHBondContact O-N 3.44Å
190	A	94.5	Very high	91.2	Very high	56 Å²	56	55.4 Å²	55.4	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-41	175.3	0	0	0	0	0	112.4	T186 M187 V188 V193 Q194	T186-A190 WeakPolarHBondContact O-CB 3.46Å; T186-A190 PolarHBondContact O-N 3.18Å; M187-A190 PolarHBondContact O-N 3.21Å; V188-A190 VanDerWaalsContact C-N 3.29Å; V188-A190 PolarHBondContact O-N 3.19Å; A190-V193 PolarHBondContact O-N 3.34Å; A190-Q194 WeakPolarHBondContact O-CB 3.09Å; A190-Q194 PolarHBondContact O-N 2.89Å
191	K	94.5	Very high	90.3	Very high	67 Å²	67	59 Å²	59	29%	0.291	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-38.7	177.7	-171.8	64.5	-173.5	170.3	0	112.6	M187 V188 G189 Q194 S195 V281 T467	M187-K191 PolarHBondContact O-N 2.82Å; V188-K191 PolarHBondContact O-N 3.19Å; V188-K191 VanDerWaalsContact O-N 3.13Å; G189-K191 VanDerWaalsContact C-N 3.35Å; G189-K191 PolarHBondContact O-N 3.3Å; K191-Q194 PolarHBondContact O-N 2.87Å; K191-S195 PolarHBondContact O-N 2.75Å; K191-V281 HydrophobicContact CB-CG2 4.03Å; K191-V281 HydrophobicContact CG-CG2 4.07Å; K191-T467 HydrophobicContact CG-CG2 3.94Å
192	V	95.8	Very high	88.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-47.3	174.7	174.7	0	0	0	0	110.8	V188 G189 Q194 S195 L196 V214 F238 V240 L277 T467 V471	V188-V192 WeakPolarHBondContact O-CG2 3.33Å; V188-V192 PolarHBondContact O-N 3.36Å; G189-V192 PolarHBondContact O-N 3.22Å; V192-Q194 VanDerWaalsContact C-N 3.34Å; V192-Q194 PolarHBondContact O-N 3.34Å; V192-S195 WeakPolarHBondContact O-CB 3.37Å; V192-S195 PolarHBondContact O-N 2.93Å; V192-L196 HydrophobicContact CG1-CD1 4.07Å; V192-L196 WeakPolarHBondContact O-CG 2.94Å; V192-L196 PolarHBondContact O-N 3.22Å; V192-V214 HydrophobicContact CB-CG2 4.43Å; V192-V214 HydrophobicContact CG1-CG2 3.77Å; V192-F238 HydrophobicContact CG1-CB 4.27Å; V192-F238 HydrophobicContact CG1-CD2 4.12Å; V192-F238 HydrophobicContact CG1-CG 4.06Å; V192-V240 HydrophobicContact CG2-CG1 4.37Å; V192-L277 HydrophobicContact CG2-CD1 3.9Å; V192-L277 HydrophobicContact CG2-CD2 4.15Å; V192-T467 HydrophobicContact CG2-CG2 4.08Å; V192-V471 HydrophobicContact CB-CG2 4.49Å; V192-V471 HydrophobicContact CG1-CG2 3.93Å; V192-V471 HydrophobicContact CG2-CG2 4.42Å
193	V	94.8	Very high	87.1	Confident	11 Å²	11	68.3 Å²	68.3	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-59.2	-45.5	176.6	172.1	0	0	0	0	111	P178 V181 G189 A190 S195 L196 Q197 V214	P178-V193 HydrophobicContact CG-CG2 4.19Å; V181-V193 HydrophobicContact CG2-CG2 4.05Å; G189-V193 WeakPolarHBondContact O-CG2 3.45Å; G189-V193 PolarHBondContact O-N 3.44Å; A190-V193 PolarHBondContact O-N 3.34Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.08Å; V193-L196 PolarHBondContact O-N 2.9Å; V193-Q197 WeakPolarHBondContact O-CG 3.2Å; V193-Q197 PolarHBondContact O-N 3.28Å; V193-V214 HydrophobicContact CG2-CB 4.43Å; V193-V214 HydrophobicContact CG2-CG2 3.95Å
194	Q	94.3	Very high	85.4	Confident	90 Å²	90	74.3 Å²	74.3	42%	0.421	39%	0.39	S	S	.	.	H	α-helix	trans	-57.5	-45	175.5	-175.7	-174	38.8	0	0	111.6	A190 K191 V192 L196 Q197 L198	A190-Q194 WeakPolarHBondContact O-CB 3.09Å; A190-Q194 PolarHBondContact O-N 2.89Å; K191-Q194 PolarHBondContact O-N 2.87Å; V192-Q194 VanDerWaalsContact C-N 3.34Å; V192-Q194 PolarHBondContact O-N 3.34Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; Q194-L196 PolarHBondContact O-N 2.98Å; Q194-Q197 PolarHBondContact O-N 3Å; Q194-L198 HydrophobicContact CG-CD1 4.04Å; Q194-L198 WeakPolarHBondContact O-CG 2.94Å; Q194-L198 PolarHBondContact O-N 3.33Å
195	S	94.2	Very high	83.6	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-42.6	179.2	-169.3	0	0	0	0	112.8	K191 V192 V193 L198 N199 D468	K191-S195 PolarHBondContact O-N 2.75Å; V192-S195 WeakPolarHBondContact O-CB 3.37Å; V192-S195 PolarHBondContact O-N 2.93Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.08Å; S195-L198 PolarHBondContact O-N 3.27Å; S195-N199 PolarHBondContact O-N 3.43Å; S195-N199 VanDerWaalsContact O-N 3.15Å; S195-N199 PolarHBondContact O-ND2 2.55Å; S195-D468 WeakPolarHBondContact CB-OD1 3.42Å; S195-D468 WeakPolarHBondContact OG-CA 3.4Å; S195-D468 PolarHBondContact OG-OD1 3.07Å
196	L	93.6	Very high	82.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-43.9	176.9	-69.1	164.6	0	0	0	111.2	V177 P178 V192 V193 Q194 L198 N199 F200 I212 V214 F238 V471 L475	V177-L196 HydrophobicContact CG1-CB 3.8Å; P178-L196 HydrophobicContact CG-CD1 3.66Å; V192-L196 HydrophobicContact CG1-CD1 4.07Å; V192-L196 WeakPolarHBondContact O-CG 2.94Å; V192-L196 PolarHBondContact O-N 3.22Å; V193-L196 PolarHBondContact O-N 2.9Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; Q194-L196 PolarHBondContact O-N 2.98Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 PolarHBondContact O-N 2.91Å; L196-N199 PolarHBondContact O-N 3.14Å; L196-F200 HydrophobicContact CD2-CD2 4.45Å; L196-F200 WeakPolarHBondContact O-CB 3.4Å; L196-F200 PolarHBondContact O-N 3.09Å; L196-I212 HydrophobicContact CD1-CG2 3.71Å; L196-I212 HydrophobicContact CD2-CG2 4.19Å; L196-V214 HydrophobicContact CD1-CG2 4.33Å; L196-F238 HydrophobicContact CD1-CD2 4.42Å; L196-F238 HydrophobicContact CD1-CE2 4.29Å; L196-F238 HydrophobicContact CD2-CE2 4.14Å; L196-V471 HydrophobicContact CD2-CG1 3.45Å; L196-V471 VanDerWaalsContact CD2-CG1 3.45Å; L196-V471 HydrophobicContact CG-CG1 3.78Å; L196-L475 HydrophobicContact CD2-CD1 3.54Å; L196-L475 HydrophobicContact CD2-CG 4.44Å
197	Q	91.5	Very high	81.1	Confident	75 Å²	75	73.8 Å²	73.8	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-33.8	176.9	-69.5	173	-8.4	0	0	112.5	V177 V193 Q194 L201	V177-Q197 HydrophobicContact CG1-CB 4.35Å; V177-Q197 HydrophobicContact CG1-CG 3.51Å; V193-Q197 WeakPolarHBondContact O-CG 3.2Å; V193-Q197 PolarHBondContact O-N 3.28Å; Q194-Q197 PolarHBondContact O-N 3Å; Q197-L201 WeakPolarHBondContact O-CD1 3.41Å; Q197-L201 WeakPolarHBondContact O-CG 3.35Å
198	L	89.7	Confident	80.5	Confident	121 Å²	121	68.9 Å²	68.9	63%	0.634	38%	0.375	S	S	*	.	H	α-helix	trans	-74.7	-35	179.3	-72.3	170	0	0	0	113.1	Q194 S195 L196	Q194-L198 HydrophobicContact CG-CD1 4.04Å; Q194-L198 WeakPolarHBondContact O-CG 2.94Å; Q194-L198 PolarHBondContact O-N 3.33Å; S195-L198 PolarHBondContact O-N 3.27Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 PolarHBondContact O-N 2.91Å
199	N	86.2	Confident	80.2	Confident	83 Å²	83	68.9 Å²	68.9	44%	0.444	38%	0.376	S	S	.	.	H	α-helix	trans	-105.1	-18.4	-168.2	-65.3	-70.8	0	0	0	114.7	S195 L196 V472	S195-N199 PolarHBondContact O-N 3.43Å; S195-N199 VanDerWaalsContact O-N 3.15Å; S195-N199 PolarHBondContact O-ND2 2.55Å; L196-N199 PolarHBondContact O-N 3.14Å; N199-V472 HydrophobicContact CB-CG2 4.08Å
200	F	82.8	Confident	80	Confident	35 Å²	35	68.9 Å²	68.9	15%	0.154	38%	0.376	C	S	.	.			trans	-134.6	19.2	-168.7	-61.8	-87.4	0	0	0	114.9	V175 V177 L196 T202 V472 L475	V175-F200 HydrophobicContact CG2-CB 3.68Å; V175-F200 HydrophobicContact CG2-CD1 4.2Å; V175-F200 HydrophobicContact CG2-CG 4.17Å; V177-F200 HydrophobicContact CG2-CB 4.09Å; L196-F200 HydrophobicContact CD2-CD2 4.45Å; L196-F200 WeakPolarHBondContact O-CB 3.4Å; L196-F200 PolarHBondContact O-N 3.09Å; F200-T202 PolarHBondContact O-N 3.33Å; F200-T202 VanDerWaalsContact O-N 3.1Å; F200-V472 HydrophobicContact CE2-CG2 3.88Å; F200-V472 HydrophobicContact CZ-CB 4.47Å; F200-V472 HydrophobicContact CZ-CG1 4.49Å; F200-V472 HydrophobicContact CZ-CG2 4.21Å; F200-L475 HydrophobicContact CD1-CD1 3.97Å; F200-L475 HydrophobicContact CD2-CD1 3.62Å; F200-L475 HydrophobicContact CE1-CB 4.15Å; F200-L475 HydrophobicContact CE1-CD1 3.81Å; F200-L475 HydrophobicContact CE2-CB 4.49Å; F200-L475 HydrophobicContact CE2-CD1 3.47Å; F200-L475 VanDerWaalsContact CE2-CD1 3.47Å; F200-L475 HydrophobicContact CE2-CG 4.48Å; F200-L475 HydrophobicContact CG-CD1 3.88Å; F200-L475 HydrophobicContact CZ-CB 3.87Å; F200-L475 HydrophobicContact CZ-CD1 3.56Å; F200-L475 HydrophobicContact CZ-CG 4.31Å
201	L	68.7	Low	79.7	Confident	136 Å²	136	68.4 Å²	68.4	71%	0.712	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-60	117.4	170.3	-78.5	165.7	0	0	0	109.7	Q197	Q197-L201 WeakPolarHBondContact O-CD1 3.41Å; Q197-L201 WeakPolarHBondContact O-CG 3.35Å
202	T	60.6	Low	79.6	Confident	70 Å²	70	65.3 Å²	65.3	43%	0.429	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-97.2	133.5	174.4	48.2	0	0	0	0	109.8	F200	F200-T202 PolarHBondContact O-N 3.33Å; F200-T202 VanDerWaalsContact O-N 3.1Å
203	E	55.5	Low	79.4	Confident	192 Å²	192	65.7 Å²	65.7	90%	0.897	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-72.7	131.5	163.4	-68	-176.5	170.2	0	0	108.6	A205	E203-A205 PolarHBondContact O-N 3.27Å
204	I	51.1	Low	79.3	Confident	171 Å²	171	65.1 Å²	65.1	88%	0.877	35%	0.351	S	S	*	.	S	Bend	trans	-71.8	33.1	-150.8	-65.2	158.1	0	0	0	115.7
205	A	51.2	Low	79.2	Confident	82 Å²	82	60.9 Å²	60.9	68%	0.678	33%	0.331	S	S	*	.	S	Bend	trans	-82.1	-21.3	-172.8	0	0	0	0	0	116.2	E203	E203-A205 PolarHBondContact O-N 3.27Å
206	H	57.9	Low	79	Confident	131 Å²	131	61.5 Å²	61.5	61%	0.606	34%	0.335	S	S	*	.	S	Bend	trans	-129.1	147.8	-172.9	-63.6	83.3	0	0	0	112.3	A208	H206-A208 PolarHBondContact O-N 2.93Å
207	P	68.4	Low	78.7	Confident	101 Å²	101	62.4 Å²	62.4	66%	0.656	34%	0.342	S	S	*	.			trans	-57.5	130	167.5	26.2	-32.7	0	0	0	108.8
208	A	78.5	Confident	78.3	Confident	23 Å²	23	60.6 Å²	60.6	19%	0.19	33%	0.333	C	S	.	.			trans	-69.4	139.6	-176.8	0	0	0	0	0	111.5	S174 I176 H206	S174-A208 WeakPolarHBondContact OG-CA 3.41Å; I176-A208 HydrophobicContact CB-CB 4.41Å; I176-A208 HydrophobicContact CD1-CB 3.77Å; I176-A208 HydrophobicContact CG1-CB 3.49Å; I176-A208 VanDerWaalsContact CG1-CB 3.49Å; H206-A208 PolarHBondContact O-N 2.93Å
209	C	86.1	Confident	78	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.02	33%	0.329	C	S	.	.	S	Bend	trans	-64.7	-40.9	178.5	167.7	0	0	0	0	112.4	P166 C167 F173 S174 N234	P166-C209 VanDerWaalsContact O-CA 3.3Å; P166-C209 WeakPolarHBondContact O-CA 3.33Å; P166-C209 WeakPolarHBondContact O-CB 3.19Å; C167-C209 HydrophobicContact CB-CB 3.95Å; C167-C209 WeakPolarHBondContact CB-SG 3.46Å; C167-C209 WeakPolarHBondContact SG-CA 3.35Å; C167-C209 WeakPolarHBondContact SG-CB 3.36Å; C167-C209 PolarHBondContact SG-O 3.24Å; C167-C209 CovalentContact SG-SG 2.03Å; C167-C209 PolarHBondContact SG-SG 3.12Å; F173-C209 HydrophobicContact CD2-CB 4.43Å; F173-C209 HydrophobicContact CE2-CB 4.49Å; S174-C209 WeakPolarHBondContact O-CB 2.99Å; S174-C209 PolarHBondContact O-N 3.44Å; S174-C209 PolarHBondContact OG-N 2.95Å; S174-C209 VanDerWaalsContact OG-N 3.07Å; C209-N234 PolarHBondContact O-ND2 2.71Å; C209-N234 VanDerWaalsContact O-ND2 3.08Å
210	V	89.5	Confident	78.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.1	-179.1	-168.3	0	0	0	0	111.9	W162 F173 S174 V175 I176 I212 N234 F236 L478 L482	W162-V210 HydrophobicContact CH2-CG1 4.32Å; W162-V210 HydrophobicContact CH2-CG2 4.18Å; W162-V210 HydrophobicContact CZ2-CG2 3.77Å; F173-V210 HydrophobicContact CE2-CG2 3.95Å; F173-V210 HydrophobicContact CZ-CG2 4.25Å; S174-V210 PolarHBondContact O-N 3.21Å; V175-V210 CarbonylContact C-O 3.6Å; V175-V210 VanDerWaalsContact CA-O 3.25Å; V175-V210 WeakPolarHBondContact CA-O 3.34Å; V175-V210 HydrophobicContact CG1-CB 4.4Å; I176-V210 PolarHBondContact N-O 3.26Å; V210-I212 HydrophobicContact CB-CD1 4.41Å; V210-I212 HydrophobicContact CG1-CD1 3.97Å; V210-N234 HydrophobicContact CG1-CB 4.48Å; V210-N234 HydrophobicContact CG2-CB 4.5Å; V210-F236 HydrophobicContact CG1-CB 3.91Å; V210-L478 HydrophobicContact CB-CD2 4.43Å; V210-L478 HydrophobicContact CG1-CD2 4.09Å; V210-L478 HydrophobicContact CG2-CD2 4.17Å; V210-L482 HydrophobicContact CG2-CD1 4.11Å
211	N	89	Confident	78.1	Confident	46 Å²	46	53.1 Å²	53.1	25%	0.246	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.7	168.8	-178.4	37.9	0	0	0	111	I176 V233 N234 N235 F236	I176-N211 WeakPolarHBondContact CG2-OD1 3.46Å; N211-V233 HydrophobicContact CB-CG1 3.63Å; N211-N234 PolarHBondContact N-O 3.49Å; N211-N235 WeakPolarHBondContact CB-OD1 3.47Å; N211-N235 PolarHBondContact ND2-OD1 2.87Å; N211-N235 WeakPolarHBondContact O-CA 3.28Å; N211-F236 PolarHBondContact O-N 2.93Å
212	I	92.2	Very high	78.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.6	-178.2	-52.1	-56.5	0	0	0	109.9	V175 I176 P178 L196 V210 F236 F238 L475	V175-I212 HydrophobicContact CB-CD1 4.5Å; V175-I212 HydrophobicContact CB-CG1 3.95Å; V175-I212 HydrophobicContact CG1-CD1 4.3Å; V175-I212 HydrophobicContact CG1-CG1 4.28Å; V175-I212 HydrophobicContact CG2-CG1 4.5Å; I176-I212 WeakPolarHBondContact O-CB 3.39Å; I176-I212 PolarHBondContact O-N 3Å; P178-I212 WeakPolarHBondContact CB-O 3.47Å; P178-I212 WeakPolarHBondContact CD-O 3.34Å; P178-I212 HydrophobicContact CG-CG2 4.5Å; L196-I212 HydrophobicContact CD1-CG2 3.71Å; L196-I212 HydrophobicContact CD2-CG2 4.19Å; V210-I212 HydrophobicContact CB-CD1 4.41Å; V210-I212 HydrophobicContact CG1-CD1 3.97Å; I212-F236 WeakPolarHBondContact CA-O 3.44Å; I212-F236 HydrophobicContact CD1-CB 3.74Å; I212-F236 HydrophobicContact CD1-CD1 4.09Å; I212-F236 HydrophobicContact CD1-CG 4.24Å; I212-F238 HydrophobicContact CG2-CD2 3.83Å; I212-F238 HydrophobicContact CG2-CE2 3.75Å; I212-L475 HydrophobicContact CD1-CD2 3.57Å; I212-L475 HydrophobicContact CG1-CD2 4.2Å
213	S	91.3	Very high	79.6	Confident	7 Å²	7	48.8 Å²	48.8	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156	173.1	60.2	0	0	0	0	111.7	F236 C237 F238	S213-F236 PolarHBondContact N-O 2.65Å; S213-C237 CarbonylContact O-C 3.41Å; S213-C237 WeakPolarHBondContact O-CA 3.46Å; S213-C237 VanDerWaalsContact OG-CB 3.31Å; S213-C237 WeakPolarHBondContact OG-CB 3.17Å; S213-C237 PolarHBondContact OG-SG 2.8Å; S213-C237 VanDerWaalsContact OG-SG 3.41Å; S213-F238 PolarHBondContact O-N 2.83Å
214	V	93.9	Very high	80.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.8	171.9	-175	0	0	0	0	107.7	P178 V181 V182 V192 V193 L196 F238 V240	P178-V214 HydrophobicContact CG-CG2 4.17Å; V181-V214 HydrophobicContact CG1-CG1 4.25Å; V181-V214 HydrophobicContact CG2-CG1 4.29Å; V182-V214 PolarHBondContact N-O 3.42Å; V192-V214 HydrophobicContact CB-CG2 4.43Å; V192-V214 HydrophobicContact CG1-CG2 3.77Å; V193-V214 HydrophobicContact CG2-CB 4.43Å; V193-V214 HydrophobicContact CG2-CG2 3.95Å; L196-V214 HydrophobicContact CD1-CG2 4.33Å; V214-F238 WeakPolarHBondContact CA-O 3.33Å; V214-F238 HydrophobicContact CG1-CB 4.48Å; V214-F238 HydrophobicContact CG2-CB 4.33Å; V214-V240 HydrophobicContact CG1-CG1 4.02Å; V214-V240 HydrophobicContact CG1-CG2 4Å
215	A	91.5	Very high	81.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.3	-178.5	0	0	0	0	0	110.9	A220 L221 L224 C237 F238 F239 V240	A215-A220 HydrophobicContact CB-CB 4.25Å; A215-L221 HydrophobicContact CB-CB 4.34Å; A215-L221 HydrophobicContact CB-CD1 4.4Å; A215-L224 HydrophobicContact CB-CD1 4.05Å; A215-C237 VanDerWaalsContact CB-SG 3.59Å; A215-F238 PolarHBondContact N-O 3Å; A215-F239 HydrophobicContact CB-CD2 4.3Å; A215-V240 WeakPolarHBondContact O-CG2 3.29Å; A215-V240 PolarHBondContact O-N 3.17Å
216	S	90.6	Very high	82	Confident	13 Å²	13	38.4 Å²	38.4	9%	0.091	22%	0.217	C	C	.	.	S	Bend	trans	-93.1	-8.7	-178.6	55.8	0	0	0	0	115.2	V182 E184 G241	V182-S216 PolarHBondContact O-N 3.08Å; V182-S216 VanDerWaalsContact O-N 3.13Å; V182-S216 PolarHBondContact O-OG 2.73Å; E184-S216 PolarHBondContact N-OG 2.75Å; E184-S216 VanDerWaalsContact N-OG 3.08Å; E184-S216 VanDerWaalsContact O-CB 3.28Å; E184-S216 WeakPolarHBondContact O-CB 3.22Å; E184-S216 PolarHBondContact O-OG 3.07Å; S216-G241 WeakPolarHBondContact O-CA 3.11Å
217	S	87.2	Confident	82.4	Confident	19 Å²	19	39.1 Å²	39.1	13%	0.133	22%	0.218	C	C	.	.	S	Bend	trans	-152.9	165.6	179.4	70.4	0	0	0	0	111.6	S219 A220 L221	S217-S219 VanDerWaalsContact C-N 3.27Å; S217-S219 PolarHBondContact O-N 2.91Å; S217-S219 PolarHBondContact OG-OG 2.89Å; S217-A220 WeakPolarHBondContact O-CB 3.12Å; S217-A220 PolarHBondContact O-N 3.29Å; S217-A220 PolarHBondContact OG-N 3.48Å; S217-L221 PolarHBondContact O-N 2.79Å
218	F	83.2	Confident	82	Confident	37 Å²	37	35.2 Å²	35.2	16%	0.162	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-32.6	177.4	-173.7	-98.3	0	0	0	112.6	L221 T222 D243 K246	F218-L221 PolarHBondContact O-N 3.37Å; F218-T222 PolarHBondContact O-N 2.87Å; F218-T222 PolarHBondContact O-OG1 2.87Å; F218-D243 HydrophobicContact CB-CB 4.44Å; F218-K246 HydrophobicContact CB-CB 4.35Å; F218-K246 HydrophobicContact CD1-CB 3.83Å; F218-K246 HydrophobicContact CD1-CD 4.1Å; F218-K246 HydrophobicContact CD2-CB 4.1Å; F218-K246 HydrophobicContact CE1-CB 4.12Å; F218-K246 HydrophobicContact CE2-CB 4.38Å; F218-K246 WeakPolarHBondContact CE2-O 3.34Å; F218-K246 HydrophobicContact CG-CB 3.81Å; F218-K246 HydrophobicContact CG-CD 4.47Å; F218-K246 HydrophobicContact CZ-CB 4.38Å; F218-K246 WeakPolarHBondContact CZ-O 3.43Å
219	S	83.9	Confident	81	Confident	79 Å²	79	39.9 Å²	39.9	55%	0.552	21%	0.21	S	C	*	.	H	α-helix	trans	-67.2	-38.6	175.1	55.4	0	0	0	0	111.9	S217 T222 S223	S217-S219 VanDerWaalsContact C-N 3.27Å; S217-S219 PolarHBondContact O-N 2.91Å; S217-S219 PolarHBondContact OG-OG 2.89Å; S219-T222 PolarHBondContact O-N 2.87Å; S219-S223 WeakPolarHBondContact O-CB 3.26Å; S219-S223 PolarHBondContact O-N 3.46Å; S219-S223 PolarHBondContact O-OG 2.9Å
220	A	86.4	Confident	79.3	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-42.8	173.2	0	0	0	0	0	111.9	V182 A215 S217 S223 L224	V182-A220 HydrophobicContact CB-CB 4.42Å; V182-A220 HydrophobicContact CG1-CB 4.05Å; V182-A220 WeakPolarHBondContact O-CB 3.44Å; A215-A220 HydrophobicContact CB-CB 4.25Å; S217-A220 WeakPolarHBondContact O-CB 3.12Å; S217-A220 PolarHBondContact O-N 3.29Å; S217-A220 PolarHBondContact OG-N 3.48Å; A220-S223 WeakPolarHBondContact O-CB 3.27Å; A220-S223 PolarHBondContact O-N 2.91Å; A220-L224 PolarHBondContact O-N 3.03Å
221	L	82.8	Confident	77.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-43.3	175.9	-173	69.9	0	0	0	112.1	A215 S217 F218 S223 L224 R225 C237 F239 M247 I252 L255 L257	A215-L221 HydrophobicContact CB-CB 4.34Å; A215-L221 HydrophobicContact CB-CD1 4.4Å; S217-L221 PolarHBondContact O-N 2.79Å; F218-L221 PolarHBondContact O-N 3.37Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.16Å; L221-L224 WeakPolarHBondContact O-CB 3.21Å; L221-L224 PolarHBondContact O-N 2.93Å; L221-R225 PolarHBondContact O-N 3.34Å; L221-C237 HydrophobicContact CD1-CB 4.32Å; L221-F239 HydrophobicContact CD2-CD2 4.37Å; L221-M247 HydrophobicContact CD2-CE 3.17Å; L221-I252 HydrophobicContact CD2-CD1 3.66Å; L221-I252 HydrophobicContact CG-CD1 3.8Å; L221-L255 HydrophobicContact CD1-CD2 3.68Å; L221-L257 HydrophobicContact CD1-CD1 3.84Å; L221-L257 HydrophobicContact CD2-CD1 4.19Å
222	T	80.4	Confident	76.2	Confident	54 Å²	54	52.3 Å²	52.3	33%	0.331	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-36.5	175.7	-52.2	0	0	0	0	111.6	F218 S219 L224 R225 L226	F218-T222 PolarHBondContact O-N 2.87Å; F218-T222 PolarHBondContact O-OG1 2.87Å; S219-T222 PolarHBondContact O-N 2.87Å; T222-L224 VanDerWaalsContact C-N 3.3Å; T222-L224 PolarHBondContact O-N 2.94Å; T222-R225 WeakPolarHBondContact O-CB 3.45Å; T222-R225 PolarHBondContact O-N 3.16Å; T222-L226 PolarHBondContact O-N 3.29Å
223	S	80.2	Confident	75.2	Confident	61 Å²	61	55.1 Å²	55.1	43%	0.427	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-31.8	176.5	-56.9	0	0	0	0	112.6	S219 A220 L221	S219-S223 WeakPolarHBondContact O-CB 3.26Å; S219-S223 PolarHBondContact O-N 3.46Å; S219-S223 PolarHBondContact O-OG 2.9Å; A220-S223 WeakPolarHBondContact O-CB 3.27Å; A220-S223 PolarHBondContact O-N 2.91Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.16Å
224	L	77.5	Confident	74.9	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-45.8	172.5	-78.7	163.7	0	0	0	110.9	V182 A215 A220 L221 T222 L226 K227 V228	V182-L224 HydrophobicContact CB-CD1 4.35Å; V182-L224 HydrophobicContact CG1-CD1 4.49Å; V182-L224 HydrophobicContact CG1-CG 4.24Å; V182-L224 HydrophobicContact CG2-CD1 4.32Å; V182-L224 HydrophobicContact CG2-CD2 4.13Å; V182-L224 HydrophobicContact CG2-CG 4.39Å; A215-L224 HydrophobicContact CB-CD1 4.05Å; A220-L224 PolarHBondContact O-N 3.03Å; L221-L224 WeakPolarHBondContact O-CB 3.21Å; L221-L224 PolarHBondContact O-N 2.93Å; T222-L224 VanDerWaalsContact C-N 3.3Å; T222-L224 PolarHBondContact O-N 2.94Å; L224-L226 VanDerWaalsContact C-N 3.33Å; L224-L226 PolarHBondContact O-N 3.29Å; L224-K227 WeakPolarHBondContact O-CA 3.17Å; L224-K227 WeakPolarHBondContact O-CB 3.02Å; L224-K227 PolarHBondContact O-N 2.84Å; L224-V228 WeakPolarHBondContact O-CG2 3.33Å; L224-V228 PolarHBondContact O-N 3.11Å; L224-V228 VanDerWaalsContact O-N 3.12Å
225	R	69.8	Low	74.6	Confident	94 Å²	94	55.8 Å²	55.8	36%	0.355	31%	0.306	S	S	.	.	H	α-helix	trans	-51.9	-48.1	177.1	178.5	-174.5	169	166.2	0.6	112.8	L221 T222 K227 V228 E229 I252	L221-R225 PolarHBondContact O-N 3.34Å; T222-R225 WeakPolarHBondContact O-CB 3.45Å; T222-R225 PolarHBondContact O-N 3.16Å; R225-K227 PolarHBondContact O-N 3.31Å; R225-K227 VanDerWaalsContact O-N 3.14Å; R225-V228 PolarHBondContact O-N 3.27Å; R225-E229 IonicContact NE-OE1 3.6Å; R225-E229 IonicContact NH2-OE1 2.77Å; R225-E229 PolarHBondContact O-N 3.44Å; R225-I252 HydrophobicContact CB-CG2 4.37Å; R225-I252 HydrophobicContact CG-CG2 4.2Å
226	L	62.5	Low	74.6	Confident	114 Å²	114	55.8 Å²	55.8	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-22.6	178.7	-68.4	174.6	0	0	0	113.5	T222 L224	T222-L226 PolarHBondContact O-N 3.29Å; L224-L226 VanDerWaalsContact C-N 3.33Å; L224-L226 PolarHBondContact O-N 3.29Å
227	K	64.9	Low	74.7	Confident	146 Å²	146	55.1 Å²	55.1	64%	0.635	30%	0.302	S	S	*	.	H	α-helix	trans	-84.4	-29.3	173.8	-66.5	-179.9	178.8	-178.5	0	112.6	L224 R225	L224-K227 WeakPolarHBondContact O-CA 3.17Å; L224-K227 WeakPolarHBondContact O-CB 3.02Å; L224-K227 PolarHBondContact O-N 2.84Å; R225-K227 PolarHBondContact O-N 3.31Å; R225-K227 VanDerWaalsContact O-N 3.14Å
228	V	61.6	Low	75	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-39	-180	-178.8	0	0	0	0	111.4	L224 R225 N230 V231 N235	L224-V228 WeakPolarHBondContact O-CG2 3.33Å; L224-V228 PolarHBondContact O-N 3.11Å; L224-V228 VanDerWaalsContact O-N 3.12Å; R225-V228 PolarHBondContact O-N 3.27Å; V228-N230 PolarHBondContact O-N 2.83Å; V228-V231 PolarHBondContact O-N 2.83Å; V228-V231 VanDerWaalsContact O-O 3.14Å; V228-N235 HydrophobicContact CG2-CB 4.39Å; V228-N235 VanDerWaalsContact CG2-ND2 3.31Å; V228-N235 WeakPolarHBondContact CG2-ND2 3.34Å
229	E	56.7	Low	75.3	Confident	120 Å²	120	52.9 Å²	52.9	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.1	-179.8	-72	-179.8	-177.2	0	0	113.8	R225	R225-E229 IonicContact NE-OE1 3.6Å; R225-E229 IonicContact NH2-OE1 2.77Å; R225-E229 PolarHBondContact O-N 3.44Å
230	N	50.9	Low	75.6	Confident	146 Å²	146	50 Å²	50	78%	0.781	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.8	179.1	-76.5	-20	0	0	0	114.9	V228	V228-N230 PolarHBondContact O-N 2.83Å
231	V	52.9	Low	75.4	Confident	78 Å²	78	50.3 Å²	50.3	47%	0.473	27%	0.273	S	S	.	.			trans	-138.5	125.2	-169.8	-167.2	0	0	0	0	110.9	V228 V233	V228-V231 PolarHBondContact O-N 2.83Å; V228-V231 VanDerWaalsContact O-O 3.14Å; V231-V233 HydrophobicContact CB-CB 4.5Å; V231-V233 HydrophobicContact CG1-CB 3.79Å; V231-V233 HydrophobicContact CG1-CG2 3.35Å; V231-V233 PolarHBondContact O-N 3.02Å
232	S	60.5	Low	74.8	Confident	87 Å²	87	55.7 Å²	55.7	61%	0.608	30%	0.301	S	S	*	.			trans	-68.6	38.5	173.4	66.5	0	0	0	0	113.8	N163	N163-S232 PolarHBondContact ND2-O 3.09Å
233	V	71.7	Confident	74.2	Confident	60 Å²	60	57.3 Å²	57.3	36%	0.364	31%	0.308	S	S	.	.			trans	-106.3	130.1	-177.4	167.4	0	0	0	0	108.6	N211 V231 N235	N211-V233 HydrophobicContact CB-CG1 3.63Å; V231-V233 HydrophobicContact CB-CB 4.5Å; V231-V233 HydrophobicContact CG1-CB 3.79Å; V231-V233 HydrophobicContact CG1-CG2 3.35Å; V231-V233 PolarHBondContact O-N 3.02Å; V233-N235 PolarHBondContact O-ND2 2.74Å
234	N	84.6	Confident	73.1	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.048	29%	0.29	C	S	.	.			trans	-69.4	131.1	174	-59.8	-38.1	0	0	0	110.3	W162 N163 C209 V210 N211	W162-N234 HydrophobicContact CD2-CB 4.17Å; W162-N234 HydrophobicContact CE3-CB 4.22Å; W162-N234 HydrophobicContact CH2-CB 3.53Å; W162-N234 HydrophobicContact CZ2-CB 3.42Å; W162-N234 VanDerWaalsContact CZ2-CB 3.42Å; W162-N234 HydrophobicContact CZ3-CB 3.91Å; W162-N234 PolarHBondContact NE1-ND2 3.38Å; N163-N234 PolarHBondContact N-OD1 3.12Å; N163-N234 PolarHBondContact O-ND2 3.21Å; C209-N234 PolarHBondContact O-ND2 2.71Å; C209-N234 VanDerWaalsContact O-ND2 3.08Å; V210-N234 HydrophobicContact CG1-CB 4.48Å; V210-N234 HydrophobicContact CG2-CB 4.5Å; N211-N234 PolarHBondContact N-O 3.49Å
235	N	87	Confident	72.1	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.064	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.6	-178	-63.8	-77.7	0	0	0	112	N211 V228 V233 L255 I256	N211-N235 WeakPolarHBondContact CB-OD1 3.47Å; N211-N235 PolarHBondContact ND2-OD1 2.87Å; N211-N235 WeakPolarHBondContact O-CA 3.28Å; V228-N235 HydrophobicContact CG2-CB 4.39Å; V228-N235 VanDerWaalsContact CG2-ND2 3.31Å; V228-N235 WeakPolarHBondContact CG2-ND2 3.34Å; V233-N235 PolarHBondContact O-ND2 2.74Å; N235-L255 HydrophobicContact CB-CD1 3.47Å; N235-L255 VanDerWaalsContact CB-CD1 3.47Å; N235-I256 PolarHBondContact O-N 2.89Å; N235-I256 VanDerWaalsContact O-N 3.14Å
236	F	91.6	Very high	71.5	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.3	168.6	177.6	-81.1	0	0	0	109.1	V210 N211 I212 S213 F238 I256 M272 A474 L478	V210-F236 HydrophobicContact CG1-CB 3.91Å; N211-F236 PolarHBondContact O-N 2.93Å; I212-F236 WeakPolarHBondContact CA-O 3.44Å; I212-F236 HydrophobicContact CD1-CB 3.74Å; I212-F236 HydrophobicContact CD1-CD1 4.09Å; I212-F236 HydrophobicContact CD1-CG 4.24Å; S213-F236 PolarHBondContact N-O 2.65Å; F236-F238 HydrophobicContact CD1-CD2 4.07Å; F236-F238 AromaticContact CD1-CE2 3.9Å; F236-F238 HydrophobicContact CD1-CE2 3.9Å; F236-F238 HydrophobicContact CD1-CZ 4.34Å; F236-F238 AromaticContact CE1-CD1 3.99Å; F236-F238 HydrophobicContact CE1-CD1 3.99Å; F236-F238 AromaticContact CE1-CD2 3.7Å; F236-F238 HydrophobicContact CE1-CD2 3.7Å; F236-F238 AromaticContact CE1-CE1 3.79Å; F236-F238 HydrophobicContact CE1-CE1 3.79Å; F236-F238 AromaticContact CE1-CE2 3.48Å; F236-F238 HydrophobicContact CE1-CE2 3.48Å; F236-F238 VanDerWaalsContact CE1-CE2 3.48Å; F236-F238 AromaticContact CE1-CG 3.96Å; F236-F238 HydrophobicContact CE1-CG 3.96Å; F236-F238 AromaticContact CE1-CZ 3.53Å; F236-F238 HydrophobicContact CE1-CZ 3.53Å; F236-F238 HydrophobicContact CZ-CE1 4.31Å; F236-F238 HydrophobicContact CZ-CZ 4.31Å; F236-I256 CarbonylContact C-O 3.51Å; F236-I256 WeakPolarHBondContact CA-O 3.13Å; F236-I256 HydrophobicContact CD2-CB 3.68Å; F236-I256 HydrophobicContact CD2-CG2 3.38Å; F236-I256 HydrophobicContact CE2-CB 4.37Å; F236-I256 HydrophobicContact CE2-CG2 3.57Å; F236-I256 HydrophobicContact CG-CB 4.49Å; F236-M272 HydrophobicContact CE2-CE 3.84Å; F236-M272 HydrophobicContact CE2-SD 4.01Å; F236-M272 HydrophobicContact CZ-CE 4.44Å; F236-M272 HydrophobicContact CZ-SD 4.04Å; F236-A474 HydrophobicContact CZ-CB 4.36Å; F236-L478 HydrophobicContact CB-CD2 3.84Å; F236-L478 HydrophobicContact CD2-CD1 4.28Å; F236-L478 HydrophobicContact CD2-CD2 3.79Å; F236-L478 HydrophobicContact CD2-CG 4.47Å; F236-L478 HydrophobicContact CG-CD2 3.89Å
237	C	91.6	Very high	71.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.8	-178.8	-172.6	0	0	0	0	111.7	S213 A215 L221 L255 I256 L257 G258	S213-C237 CarbonylContact O-C 3.41Å; S213-C237 WeakPolarHBondContact O-CA 3.46Å; S213-C237 VanDerWaalsContact OG-CB 3.31Å; S213-C237 WeakPolarHBondContact OG-CB 3.17Å; S213-C237 PolarHBondContact OG-SG 2.8Å; S213-C237 VanDerWaalsContact OG-SG 3.41Å; A215-C237 VanDerWaalsContact CB-SG 3.59Å; L221-C237 HydrophobicContact CD1-CB 4.32Å; C237-L255 HydrophobicContact CB-CD1 3.99Å; C237-L255 HydrophobicContact CB-CD2 4.11Å; C237-L255 HydrophobicContact CB-CG 4.26Å; C237-I256 PolarHBondContact N-O 2.92Å; C237-L257 HydrophobicContact CB-CD1 4.44Å; C237-G258 PolarHBondContact O-N 2.64Å
238	F	93.5	Very high	70.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.7	160.9	-69	-84.5	0	0	0	108.8	V192 L196 I212 S213 V214 A215 F236 M274 L277 V471 A474 L475	V192-F238 HydrophobicContact CG1-CB 4.27Å; V192-F238 HydrophobicContact CG1-CD2 4.12Å; V192-F238 HydrophobicContact CG1-CG 4.06Å; L196-F238 HydrophobicContact CD1-CD2 4.42Å; L196-F238 HydrophobicContact CD1-CE2 4.29Å; L196-F238 HydrophobicContact CD2-CE2 4.14Å; I212-F238 HydrophobicContact CG2-CD2 3.83Å; I212-F238 HydrophobicContact CG2-CE2 3.75Å; S213-F238 PolarHBondContact O-N 2.83Å; V214-F238 WeakPolarHBondContact CA-O 3.33Å; V214-F238 HydrophobicContact CG1-CB 4.48Å; V214-F238 HydrophobicContact CG2-CB 4.33Å; A215-F238 PolarHBondContact N-O 3Å; F236-F238 HydrophobicContact CD1-CD2 4.07Å; F236-F238 AromaticContact CD1-CE2 3.9Å; F236-F238 HydrophobicContact CD1-CE2 3.9Å; F236-F238 HydrophobicContact CD1-CZ 4.34Å; F236-F238 AromaticContact CE1-CD1 3.99Å; F236-F238 HydrophobicContact CE1-CD1 3.99Å; F236-F238 AromaticContact CE1-CD2 3.7Å; F236-F238 HydrophobicContact CE1-CD2 3.7Å; F236-F238 AromaticContact CE1-CE1 3.79Å; F236-F238 HydrophobicContact CE1-CE1 3.79Å; F236-F238 AromaticContact CE1-CE2 3.48Å; F236-F238 HydrophobicContact CE1-CE2 3.48Å; F236-F238 VanDerWaalsContact CE1-CE2 3.48Å; F236-F238 AromaticContact CE1-CG 3.96Å; F236-F238 HydrophobicContact CE1-CG 3.96Å; F236-F238 AromaticContact CE1-CZ 3.53Å; F236-F238 HydrophobicContact CE1-CZ 3.53Å; F236-F238 HydrophobicContact CZ-CE1 4.31Å; F236-F238 HydrophobicContact CZ-CZ 4.31Å; F238-M274 HydrophobicContact CD1-CE 3.99Å; F238-M274 HydrophobicContact CD1-SD 3.97Å; F238-M274 HydrophobicContact CE1-SD 4.22Å; F238-L277 HydrophobicContact CD1-CD1 4.3Å; F238-V471 HydrophobicContact CE1-CG2 4.34Å; F238-V471 HydrophobicContact CZ-CB 4.49Å; F238-V471 HydrophobicContact CZ-CG1 4.16Å; F238-V471 HydrophobicContact CZ-CG2 4.4Å; F238-A474 HydrophobicContact CE1-CB 3.69Å; F238-A474 HydrophobicContact CZ-CB 3.91Å; F238-L475 HydrophobicContact CE2-CD2 4.47Å; F238-L475 HydrophobicContact CZ-CD2 4.49Å; F238-L475 HydrophobicContact CZ-CG 4.47Å
239	F	91.3	Very high	70	Confident	8 Å²	8	62 Å²	62	4%	0.035	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.2	173.4	-175	-105.3	0	0	0	110.1	A215 L221 G241 M247 L257 G258	A215-F239 HydrophobicContact CB-CD2 4.3Å; L221-F239 HydrophobicContact CD2-CD2 4.37Å; F239-G241 WeakPolarHBondContact CE1-O 3.43Å; F239-M247 HydrophobicContact CE1-SD 4.5Å; F239-L257 HydrophobicContact CB-CD1 3.69Å; F239-L257 HydrophobicContact CB-CG 4.47Å; F239-L257 HydrophobicContact CG-CD1 4.45Å; F239-G258 PolarHBondContact N-O 3.19Å
240	V	89.6	Confident	69.8	Low	18 Å²	18	57.5 Å²	57.5	11%	0.109	32%	0.32	C	S	.	.			trans	-118.5	13.1	-177.4	-57.6	0	0	0	0	112.6	V188 V192 V214 A215 L277	V188-V240 HydrophobicContact CG1-CB 4.04Å; V188-V240 HydrophobicContact CG1-CG1 3.93Å; V192-V240 HydrophobicContact CG2-CG1 4.37Å; V214-V240 HydrophobicContact CG1-CG1 4.02Å; V214-V240 HydrophobicContact CG1-CG2 4Å; A215-V240 WeakPolarHBondContact O-CG2 3.29Å; A215-V240 PolarHBondContact O-N 3.17Å; V240-L277 HydrophobicContact CG1-CD1 3.77Å
241	G	81.9	Confident	69.9	Low	12 Å²	12	55.6 Å²	55.6	12%	0.124	31%	0.31	C	S	.	.			trans	-91	155.5	-178.3	0	0	0	0	0	114	S216 F239	S216-G241 WeakPolarHBondContact O-CA 3.11Å; F239-G241 WeakPolarHBondContact CE1-O 3.43Å
242	D	70.5	Confident	70.3	Confident	113 Å²	113	52.5 Å²	52.5	60%	0.604	29%	0.29	S	S	*	.	S	Bend	trans	-93.2	-6.5	178.4	-64.8	-32.7	0	0	0	113.6	V244	D242-V244 WeakPolarHBondContact O-CG2 3.38Å; D242-V244 PolarHBondContact O-N 2.96Å
243	D	67	Low	70.4	Confident	87 Å²	87	51.3 Å²	51.3	47%	0.465	28%	0.277	S	S	.	.			trans	-75.9	50.1	-171.5	-76.8	-29.1	0	0	0	114.3	F218 Q245	F218-D243 HydrophobicContact CB-CB 4.44Å; D243-Q245 PolarHBondContact O-N 3.44Å
244	V	57	Low	70.2	Confident	10 Å²	10	52.7 Å²	52.7	6%	0.061	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-81.7	-19.4	-159.3	-154.8	0	0	0	0	115.7	D242 K246 M247 W261	D242-V244 WeakPolarHBondContact O-CG2 3.38Å; D242-V244 PolarHBondContact O-N 2.96Å; V244-K246 PolarHBondContact O-N 3.49Å; V244-M247 HydrophobicContact CG1-CB 4.19Å; V244-M247 WeakPolarHBondContact O-CB 3.42Å; V244-M247 PolarHBondContact O-N 3.39Å; V244-W261 HydrophobicContact CB-CD2 3.61Å; V244-W261 HydrophobicContact CB-CE3 3.77Å; V244-W261 HydrophobicContact CB-CG 3.98Å; V244-W261 HydrophobicContact CB-CH2 4.46Å; V244-W261 HydrophobicContact CB-CZ2 4.28Å; V244-W261 HydrophobicContact CB-CZ3 4.21Å; V244-W261 HydrophobicContact CG1-CB 3.72Å; V244-W261 HydrophobicContact CG1-CD2 3.36Å; V244-W261 HydrophobicContact CG1-CE3 4.01Å; V244-W261 HydrophobicContact CG1-CG 3.18Å; V244-W261 HydrophobicContact CG1-CZ2 4.48Å; V244-W261 HydrophobicContact CG2-CB 4.41Å; V244-W261 HydrophobicContact CG2-CD2 3.81Å; V244-W261 HydrophobicContact CG2-CE3 3.52Å; V244-W261 HydrophobicContact CG2-CG 4.2Å; V244-W261 HydrophobicContact CG2-CZ3 4.07Å
245	Q	57.4	Low	70	Confident	175 Å²	175	52.5 Å²	52.5	82%	0.818	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-57.5	-26.3	176.5	-85.2	-176.9	-15.8	0	0	113.1	D243	D243-Q245 PolarHBondContact O-N 3.44Å
246	K	57.7	Low	70.1	Confident	130 Å²	130	51.9 Å²	51.9	57%	0.565	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-81.6	-14.8	-179.8	-67	179.7	-179.2	170.6	0	114.1	F218 V244	F218-K246 HydrophobicContact CB-CB 4.35Å; F218-K246 HydrophobicContact CD1-CB 3.83Å; F218-K246 HydrophobicContact CD1-CD 4.1Å; F218-K246 HydrophobicContact CD2-CB 4.1Å; F218-K246 HydrophobicContact CE1-CB 4.12Å; F218-K246 HydrophobicContact CE2-CB 4.38Å; F218-K246 WeakPolarHBondContact CE2-O 3.34Å; F218-K246 HydrophobicContact CG-CB 3.81Å; F218-K246 HydrophobicContact CG-CD 4.47Å; F218-K246 HydrophobicContact CZ-CB 4.38Å; F218-K246 WeakPolarHBondContact CZ-O 3.43Å; V244-K246 PolarHBondContact O-N 3.49Å
247	M	56.1	Low	70	Confident	27 Å²	27	52.3 Å²	52.3	13%	0.133	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-80.2	-16.5	-175.1	-169.6	154.1	-115.5	0	0	113.6	L221 F239 V244 S249 L257	L221-M247 HydrophobicContact CD2-CE 3.17Å; F239-M247 HydrophobicContact CE1-SD 4.5Å; V244-M247 HydrophobicContact CG1-CB 4.19Å; V244-M247 WeakPolarHBondContact O-CB 3.42Å; V244-M247 PolarHBondContact O-N 3.39Å; M247-S249 PolarHBondContact O-N 2.86Å; M247-L257 HydrophobicContact CE-CD1 4.15Å; M247-L257 HydrophobicContact CE-CD2 3.14Å; M247-L257 HydrophobicContact CE-CG 4.27Å; M247-L257 HydrophobicContact SD-CD2 3.76Å
248	I	50.4	Low	70	Confident	98 Å²	98	52.3 Å²	52.3	50%	0.503	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-61.7	-18.8	-173.7	-61.7	172	0	0	0	112.8
249	S	50	Low	70	Confident	112 Å²	112	52.4 Å²	52.4	78%	0.783	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-118.4	4.6	-169.9	61.5	0	0	0	0	116.2	M247	M247-S249 PolarHBondContact O-N 2.86Å
250	S	52.8	Low	69.9	Low	26 Å²	26	52.6 Å²	52.6	18%	0.182	28%	0.281	C	S	.	.			trans	-119.2	98.9	-178.9	65.1	0	0	0	0	111.8	I252	S250-I252 PolarHBondContact O-N 3.3Å; S250-I252 VanDerWaalsContact O-N 3.1Å
251	D	53.6	Low	69.9	Low	105 Å²	105	55 Å²	55	56%	0.561	29%	0.288	S	S	*	.			trans	-63	106.7	150.7	-71.9	-37.7	0	0	0	106.6	D253	D251-D253 VanDerWaalsContact C-N 3.33Å; D251-D253 PolarHBondContact O-N 2.95Å
252	I	60.9	Low	70.2	Confident	14 Å²	14	54.9 Å²	54.9	7%	0.072	28%	0.284	C	S	.	.			trans	-92.7	81.1	167.2	-51.8	176.2	0	0	0	105.1	L221 R225 S250 L255	L221-I252 HydrophobicContact CD2-CD1 3.66Å; L221-I252 HydrophobicContact CG-CD1 3.8Å; R225-I252 HydrophobicContact CB-CG2 4.37Å; R225-I252 HydrophobicContact CG-CG2 4.2Å; S250-I252 PolarHBondContact O-N 3.3Å; S250-I252 VanDerWaalsContact O-N 3.1Å; I252-L255 HydrophobicContact CG2-CB 3.74Å; I252-L255 HydrophobicContact CG2-CD2 4.21Å
253	D	62.3	Low	70.9	Confident	61 Å²	61	50.5 Å²	50.5	33%	0.326	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	144	169.1	-61.2	-40.4	0	0	0	108.7	C156 D251 L255	C156-D253 HydrophobicContact CB-CB 4.28Å; D251-D253 VanDerWaalsContact C-N 3.33Å; D251-D253 PolarHBondContact O-N 2.95Å; D253-L255 PolarHBondContact O-N 3.46Å
254	E	67.7	Low	71.7	Confident	89 Å²	89	49.8 Å²	49.8	42%	0.416	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-9.2	177.9	-51.1	167.9	-173.5	0	0	117.6	C161 W270	C161-E254 HydrophobicContact CB-CG 4.38Å; E254-W270 VanDerWaalsContact CA-CZ3 3.41Å
255	L	80.9	Confident	72.7	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.9	173.7	-179.2	65.7	0	0	0	110.8	L221 N235 C237 I252 D253 L257	L221-L255 HydrophobicContact CD1-CD2 3.68Å; N235-L255 HydrophobicContact CB-CD1 3.47Å; N235-L255 VanDerWaalsContact CB-CD1 3.47Å; C237-L255 HydrophobicContact CB-CD1 3.99Å; C237-L255 HydrophobicContact CB-CD2 4.11Å; C237-L255 HydrophobicContact CB-CG 4.26Å; I252-L255 HydrophobicContact CG2-CB 3.74Å; I252-L255 HydrophobicContact CG2-CD2 4.21Å; D253-L255 PolarHBondContact O-N 3.46Å; L255-L257 PolarHBondContact O-N 3.49Å
256	I	87.6	Confident	73.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.1	171.3	-57.6	170.7	0	0	0	109.2	F158 W162 N235 F236 C237 W270 L478	F158-I256 HydrophobicContact CE1-CD1 3.74Å; F158-I256 HydrophobicContact CZ-CD1 3.59Å; F158-I256 HydrophobicContact CZ-CG1 4.33Å; W162-I256 HydrophobicContact CE3-CD1 4.34Å; W162-I256 HydrophobicContact CH2-CD1 3.57Å; W162-I256 HydrophobicContact CH2-CG1 4.45Å; W162-I256 HydrophobicContact CZ3-CD1 3.41Å; W162-I256 VanDerWaalsContact CZ3-CD1 3.41Å; W162-I256 HydrophobicContact CZ3-CG1 3.92Å; N235-I256 PolarHBondContact O-N 2.89Å; N235-I256 VanDerWaalsContact O-N 3.14Å; F236-I256 CarbonylContact C-O 3.51Å; F236-I256 WeakPolarHBondContact CA-O 3.13Å; F236-I256 HydrophobicContact CD2-CB 3.68Å; F236-I256 HydrophobicContact CD2-CG2 3.38Å; F236-I256 HydrophobicContact CE2-CB 4.37Å; F236-I256 HydrophobicContact CE2-CG2 3.57Å; F236-I256 HydrophobicContact CG-CB 4.49Å; C237-I256 PolarHBondContact N-O 2.92Å; I256-W270 CarbonylContact C-O 3.58Å; I256-W270 VanDerWaalsContact CA-O 3.22Å; I256-W270 WeakPolarHBondContact CA-O 3.4Å; I256-W270 HydrophobicContact CG1-CE3 3.93Å; I256-W270 HydrophobicContact CG1-CZ3 4.25Å; I256-L478 HydrophobicContact CD1-CD1 3.37Å
257	L	89.3	Confident	75	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.4	-179.7	-174	75.6	0	0	0	111.2	L221 C237 F239 M247 L255 F262 W270 M272	L221-L257 HydrophobicContact CD1-CD1 3.84Å; L221-L257 HydrophobicContact CD2-CD1 4.19Å; C237-L257 HydrophobicContact CB-CD1 4.44Å; F239-L257 HydrophobicContact CB-CD1 3.69Å; F239-L257 HydrophobicContact CB-CG 4.47Å; F239-L257 HydrophobicContact CG-CD1 4.45Å; M247-L257 HydrophobicContact CE-CD1 4.15Å; M247-L257 HydrophobicContact CE-CD2 3.14Å; M247-L257 HydrophobicContact CE-CG 4.27Å; M247-L257 HydrophobicContact SD-CD2 3.76Å; L255-L257 PolarHBondContact O-N 3.49Å; L257-F262 HydrophobicContact CD2-CE1 3.93Å; L257-F262 HydrophobicContact CD2-CZ 4.28Å; L257-W270 PolarHBondContact N-O 3.13Å; L257-M272 PolarHBondContact O-N 3.19Å
258	G	93.1	Very high	76.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.7	165.3	0	0	0	0	0	110.7	C237 F239 M272 M274	C237-G258 PolarHBondContact O-N 2.64Å; F239-G258 PolarHBondContact N-O 3.19Å; G258-M272 WeakPolarHBondContact CA-O 3.22Å; G258-M274 WeakPolarHBondContact O-CE 2.94Å
259	S	92.4	Very high	77.8	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.4	178.7	-173.2	0	0	0	0	112	W261 F262 M272 M274	S259-W261 VanDerWaalsContact C-N 3.34Å; S259-W261 PolarHBondContact OG-N 3.23Å; S259-W261 VanDerWaalsContact OG-N 3.15Å; S259-W261 PolarHBondContact OG-O 2.87Å; S259-F262 VanDerWaalsContact O-CE2 3.26Å; S259-F262 WeakPolarHBondContact O-CE2 3.39Å; S259-M272 PolarHBondContact N-O 3.15Å; S259-M272 VanDerWaalsContact N-O 3.14Å; S259-M274 PolarHBondContact O-N 2.66Å
260	S	90.5	Very high	79.5	Confident	12 Å²	12	35.8 Å²	35.8	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-87.7	-5.9	168.4	60.2	0	0	0	0	112.8	M274 S387 T388	S260-M274 VanDerWaalsContact CA-O 3.27Å; S260-M274 WeakPolarHBondContact CA-O 3.34Å; S260-M274 WeakPolarHBondContact CB-O 2.96Å; S260-S387 CarbonylContact O-C 3.56Å; S260-S387 PolarHBondContact O-OG 3.36Å; S260-T388 CarbonylContact O-C 3.53Å; S260-T388 PolarHBondContact O-N 3.37Å
261	W	88	Confident	81.3	Confident	69 Å²	69	35.5 Å²	35.5	26%	0.261	20%	0.204	S	C	.	.			trans	-122.3	126.4	-177.8	-167.4	-55.7	0	0	0	112	V244 S259 L385 S387 P389	V244-W261 HydrophobicContact CB-CD2 3.61Å; V244-W261 HydrophobicContact CB-CE3 3.77Å; V244-W261 HydrophobicContact CB-CG 3.98Å; V244-W261 HydrophobicContact CB-CH2 4.46Å; V244-W261 HydrophobicContact CB-CZ2 4.28Å; V244-W261 HydrophobicContact CB-CZ3 4.21Å; V244-W261 HydrophobicContact CG1-CB 3.72Å; V244-W261 HydrophobicContact CG1-CD2 3.36Å; V244-W261 HydrophobicContact CG1-CE3 4.01Å; V244-W261 HydrophobicContact CG1-CG 3.18Å; V244-W261 HydrophobicContact CG1-CZ2 4.48Å; V244-W261 HydrophobicContact CG2-CB 4.41Å; V244-W261 HydrophobicContact CG2-CD2 3.81Å; V244-W261 HydrophobicContact CG2-CE3 3.52Å; V244-W261 HydrophobicContact CG2-CG 4.2Å; V244-W261 HydrophobicContact CG2-CZ3 4.07Å; S259-W261 VanDerWaalsContact C-N 3.34Å; S259-W261 PolarHBondContact OG-N 3.23Å; S259-W261 VanDerWaalsContact OG-N 3.15Å; S259-W261 PolarHBondContact OG-O 2.87Å; W261-L385 HydrophobicContact CZ2-CD1 4.5Å; W261-L385 HydrophobicContact CZ2-CD2 4.45Å; W261-S387 WeakPolarHBondContact CA-O 3.22Å; W261-P389 HydrophobicContact CE3-CG 3.76Å; W261-P389 HydrophobicContact CZ3-CG 4.39Å
262	F	88.4	Confident	83.2	Confident	9 Å²	9	30.5 Å²	30.5	4%	0.039	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.1	172.6	-71.2	-73.9	0	0	0	112.3	L257 S259 W266 H271 M272 V273 A386 S387	L257-F262 HydrophobicContact CD2-CE1 3.93Å; L257-F262 HydrophobicContact CD2-CZ 4.28Å; S259-F262 VanDerWaalsContact O-CE2 3.26Å; S259-F262 WeakPolarHBondContact O-CE2 3.39Å; F262-W266 HydrophobicContact CB-CB 4.32Å; F262-W266 HydrophobicContact CB-CE3 4.37Å; F262-W266 HydrophobicContact CD1-CE3 4.12Å; F262-W266 AromaticContact CD2-CE3 3.98Å; F262-W266 HydrophobicContact CD2-CE3 3.98Å; F262-W266 HydrophobicContact CD2-CZ3 4.25Å; F262-W266 HydrophobicContact CE1-CE3 4.44Å; F262-W266 HydrophobicContact CE2-CE3 4.28Å; F262-W266 HydrophobicContact CE2-CZ3 4.2Å; F262-W266 AromaticContact CG-CE3 3.88Å; F262-W266 HydrophobicContact CG-CE3 3.88Å; F262-H271 HydrophobicContact CD1-CB 3.97Å; F262-H271 AromaticContact CD1-CG 3.86Å; F262-H271 AromaticContact CD1-ND1 3.85Å; F262-H271 HydrophobicContact CE1-CB 3.39Å; F262-H271 AromaticContact CE1-CD2 3.79Å; F262-H271 AromaticContact CE1-CG 3.37Å; F262-H271 AromaticContact CE1-ND1 3.82Å; F262-H271 HydrophobicContact CE2-CB 4.44Å; F262-H271 HydrophobicContact CZ-CB 3.67Å; F262-M272 WeakPolarHBondContact CE2-O 3.26Å; F262-V273 HydrophobicContact CD2-CG2 3.75Å; F262-V273 HydrophobicContact CE2-CG2 4.12Å; F262-A386 HydrophobicContact CB-CB 4.49Å; F262-A386 PolarHBondContact O-N 2.72Å; F262-S387 PolarHBondContact N-O 3.06Å; F262-S387 PolarHBondContact O-N 2.9Å
263	S	86.4	Confident	84.7	Confident	20 Å²	20	29.9 Å²	29.9	14%	0.14	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	174.2	167.2	71	0	0	0	0	111	A265 W266 R384 A386	S263-A265 PolarHBondContact O-N 3.33Å; S263-A265 PolarHBondContact OG-N 3.49Å; S263-W266 WeakPolarHBondContact O-CB 3.37Å; S263-W266 PolarHBondContact O-N 2.94Å; S263-R384 CarbonylContact C-O 3.39Å; S263-R384 WeakPolarHBondContact CA-O 3.5Å; S263-R384 WeakPolarHBondContact CB-O 3.43Å; S263-A386 VanDerWaalsContact O-CB 3.23Å; S263-A386 WeakPolarHBondContact O-CB 3.32Å
264	S	83.2	Confident	86.3	Confident	73 Å²	73	27 Å²	27	51%	0.51	16%	0.158	S	C	.	.	S	Bend	trans	-68	-19.7	173.7	59.7	0	0	0	0	112.9	W266 R384	S264-W266 PolarHBondContact O-N 3.29Å; S264-R384 PolarHBondContact N-O 3.26Å; S264-R384 WeakPolarHBondContact OG-CA 3.48Å; S264-R384 PolarHBondContact OG-O 2.88Å
265	A	78.4	Confident	87.6	Confident	67 Å²	67	22.9 Å²	22.9	55%	0.554	14%	0.139	S	C	*	.	S	Bend	trans	-80	40.3	170.7	0	0	0	0	0	111.7	S263	S263-A265 PolarHBondContact O-N 3.33Å; S263-A265 PolarHBondContact OG-N 3.49Å
266	W	79	Confident	88.2	Confident	50 Å²	50	23.6 Å²	23.6	19%	0.189	14%	0.143	C	C	.	.			trans	-80.5	149.7	-179.6	124.8	-63.2	0	0	0	111.1	F262 S263 S264 H271 V273	F262-W266 HydrophobicContact CB-CB 4.32Å; F262-W266 HydrophobicContact CB-CE3 4.37Å; F262-W266 HydrophobicContact CD1-CE3 4.12Å; F262-W266 AromaticContact CD2-CE3 3.98Å; F262-W266 HydrophobicContact CD2-CE3 3.98Å; F262-W266 HydrophobicContact CD2-CZ3 4.25Å; F262-W266 HydrophobicContact CE1-CE3 4.44Å; F262-W266 HydrophobicContact CE2-CE3 4.28Å; F262-W266 HydrophobicContact CE2-CZ3 4.2Å; F262-W266 AromaticContact CG-CE3 3.88Å; F262-W266 HydrophobicContact CG-CE3 3.88Å; S263-W266 WeakPolarHBondContact O-CB 3.37Å; S263-W266 PolarHBondContact O-N 2.94Å; S264-W266 PolarHBondContact O-N 3.29Å; W266-H271 HydrophobicContact CD2-CB 4.07Å; W266-H271 HydrophobicContact CE3-CB 3.24Å; W266-H271 HydrophobicContact CH2-CB 4.25Å; W266-H271 WeakPolarHBondContact CH2-O 3.46Å; W266-H271 HydrophobicContact CZ3-CB 3.33Å; W266-H271 VanDerWaalsContact CZ3-O 3.28Å; W266-H271 WeakPolarHBondContact CZ3-O 3.32Å; W266-V273 HydrophobicContact CE3-CG2 3.71Å; W266-V273 HydrophobicContact CH2-CG2 3.71Å; W266-V273 HydrophobicContact CZ3-CB 4.31Å; W266-V273 HydrophobicContact CZ3-CG2 3.24Å
267	S	83.3	Confident	88.4	Confident	29 Å²	29	23.8 Å²	23.8	20%	0.203	14%	0.144	C	C	.	.			trans	-110.1	119.7	173.1	175.8	0	0	0	0	110.7	T269 W270 H271	S267-T269 PolarHBondContact O-N 3.32Å; S267-T269 VanDerWaalsContact O-N 3.16Å; S267-T269 PolarHBondContact OG-N 3.37Å; S267-W270 PolarHBondContact O-N 2.74Å; S267-W270 PolarHBondContact OG-N 2.92Å; S267-H271 PolarHBondContact N-ND1 3.32Å; S267-H271 WeakPolarHBondContact O-CA 3.48Å; S267-H271 WeakPolarHBondContact O-CB 3.37Å; S267-H271 PolarHBondContact O-N 2.84Å
268	S	83.5	Confident	88.5	Confident	81 Å²	81	25.5 Å²	25.5	57%	0.566	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	173.6	56.7	0	0	0	0	113.5
269	T	83.2	Confident	88.3	Confident	24 Å²	24	26 Å²	26	15%	0.147	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-50.8	177.7	-53.9	0	0	0	0	111	F158 S267 R481	F158-T269 HydrophobicContact CD2-CG2 3.76Å; F158-T269 HydrophobicContact CE2-CG2 3.88Å; F158-T269 WeakPolarHBondContact CE2-O 3.37Å; F158-T269 HydrophobicContact CG-CG2 4.49Å; S267-T269 PolarHBondContact O-N 3.32Å; S267-T269 VanDerWaalsContact O-N 3.16Å; S267-T269 PolarHBondContact OG-N 3.37Å; T269-R481 PolarHBondContact O-NH1 3.47Å
270	W	85.5	Confident	88.3	Confident	7 Å²	7	26.2 Å²	26.2	3%	0.027	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-13.3	-168	-60.4	115.6	0	0	0	113.7	C156 C161 W162 E254 I256 L257 S267	C156-W270 HydrophobicContact CB-CZ2 4.37Å; C156-W270 PolarHBondContact O-NE1 3.37Å; C156-W270 VanDerWaalsContact SG-CZ2 3.52Å; C161-W270 HydrophobicContact CB-CH2 4.11Å; C161-W270 HydrophobicContact CB-CZ2 4.05Å; W162-W270 HydrophobicContact CE3-CZ3 4.18Å; W162-W270 HydrophobicContact CZ3-CZ3 4.44Å; E254-W270 VanDerWaalsContact CA-CZ3 3.41Å; I256-W270 CarbonylContact C-O 3.58Å; I256-W270 VanDerWaalsContact CA-O 3.22Å; I256-W270 WeakPolarHBondContact CA-O 3.4Å; I256-W270 HydrophobicContact CG1-CE3 3.93Å; I256-W270 HydrophobicContact CG1-CZ3 4.25Å; L257-W270 PolarHBondContact N-O 3.13Å; S267-W270 PolarHBondContact O-N 2.74Å; S267-W270 PolarHBondContact OG-N 2.92Å
271	H	89.5	Confident	88.3	Confident	19 Å²	19	27.4 Å²	27.4	9%	0.088	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.1	-179.2	-58.5	153.3	0	0	0	110.7	F262 W266 S267 R481	F262-H271 HydrophobicContact CD1-CB 3.97Å; F262-H271 AromaticContact CD1-CG 3.86Å; F262-H271 AromaticContact CD1-ND1 3.85Å; F262-H271 HydrophobicContact CE1-CB 3.39Å; F262-H271 AromaticContact CE1-CD2 3.79Å; F262-H271 AromaticContact CE1-CG 3.37Å; F262-H271 AromaticContact CE1-ND1 3.82Å; F262-H271 HydrophobicContact CE2-CB 4.44Å; F262-H271 HydrophobicContact CZ-CB 3.67Å; W266-H271 HydrophobicContact CD2-CB 4.07Å; W266-H271 HydrophobicContact CE3-CB 3.24Å; W266-H271 HydrophobicContact CH2-CB 4.25Å; W266-H271 WeakPolarHBondContact CH2-O 3.46Å; W266-H271 HydrophobicContact CZ3-CB 3.33Å; W266-H271 VanDerWaalsContact CZ3-O 3.28Å; W266-H271 WeakPolarHBondContact CZ3-O 3.32Å; S267-H271 PolarHBondContact N-ND1 3.32Å; S267-H271 WeakPolarHBondContact O-CA 3.48Å; S267-H271 WeakPolarHBondContact O-CB 3.37Å; S267-H271 PolarHBondContact O-N 2.84Å; H271-R481 PolarHBondContact O-NH1 3.12Å; H271-R481 PolarHBondContact O-NH2 3.26Å
272	M	93.3	Very high	88.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.2	175	179.2	-177.2	-66.5	0	0	108.7	F236 L257 G258 S259 F262 M274 F416 A474 V477 L478	F236-M272 HydrophobicContact CE2-CE 3.84Å; F236-M272 HydrophobicContact CE2-SD 4.01Å; F236-M272 HydrophobicContact CZ-CE 4.44Å; F236-M272 HydrophobicContact CZ-SD 4.04Å; L257-M272 PolarHBondContact O-N 3.19Å; G258-M272 WeakPolarHBondContact CA-O 3.22Å; S259-M272 PolarHBondContact N-O 3.15Å; S259-M272 VanDerWaalsContact N-O 3.14Å; F262-M272 WeakPolarHBondContact CE2-O 3.26Å; M272-M274 PolarHBondContact O-N 3.36Å; M272-F416 HydrophobicContact CG-CD1 4.37Å; M272-F416 HydrophobicContact SD-CD1 4.32Å; M272-F416 HydrophobicContact SD-CE1 4.13Å; M272-A474 HydrophobicContact SD-CB 3.87Å; M272-V477 HydrophobicContact CE-CB 3.8Å; M272-V477 HydrophobicContact CE-CG1 3.67Å; M272-V477 HydrophobicContact SD-CB 4.32Å; M272-V477 HydrophobicContact SD-CG1 4.42Å; M272-L478 HydrophobicContact CE-CB 4.38Å
273	V	94.3	Very high	88.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.5	173.6	-174.1	0	0	0	0	108.4	F262 W266 R413 L414 F416	F262-V273 HydrophobicContact CD2-CG2 3.75Å; F262-V273 HydrophobicContact CE2-CG2 4.12Å; W266-V273 HydrophobicContact CE3-CG2 3.71Å; W266-V273 HydrophobicContact CH2-CG2 3.71Å; W266-V273 HydrophobicContact CZ3-CB 4.31Å; W266-V273 HydrophobicContact CZ3-CG2 3.24Å; V273-R413 HydrophobicContact CG1-CB 4.43Å; V273-R413 HydrophobicContact CG2-CB 3.73Å; V273-R413 HydrophobicContact CG2-CG 4.44Å; V273-L414 WeakPolarHBondContact CG1-O 3.3Å; V273-F416 PolarHBondContact O-N 3.34Å
274	M	95.1	Very high	88.3	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.194	C	C	.	.			trans	-135.6	164.7	178.7	66.3	-175.2	-164.8	0	0	110.4	F238 G258 S259 S260 M272 L277 F416	F238-M274 HydrophobicContact CD1-CE 3.99Å; F238-M274 HydrophobicContact CD1-SD 3.97Å; F238-M274 HydrophobicContact CE1-SD 4.22Å; G258-M274 WeakPolarHBondContact O-CE 2.94Å; S259-M274 PolarHBondContact O-N 2.66Å; S260-M274 VanDerWaalsContact CA-O 3.27Å; S260-M274 WeakPolarHBondContact CA-O 3.34Å; S260-M274 WeakPolarHBondContact CB-O 2.96Å; M272-M274 PolarHBondContact O-N 3.36Å; M274-L277 HydrophobicContact CE-CD1 3.42Å; M274-L277 VanDerWaalsContact CE-CD1 3.42Å; M274-L277 HydrophobicContact CE-CG 4.04Å; M274-F416 HydrophobicContact CB-CD1 4.39Å; M274-F416 HydrophobicContact CB-CE1 3.62Å; M274-F416 HydrophobicContact CB-CZ 3.78Å
275	P	95.1	Very high	88.6	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.019	19%	0.186	C	C	.	.			trans	-60.5	158.4	174.9	-18.9	32	0	0	0	111.8	L277 V396 P415 F416 M464 I470	P275-L277 PolarHBondContact O-N 2.71Å; P275-V396 HydrophobicContact CB-CG2 4.09Å; P275-P415 HydrophobicContact CG-CB 3.82Å; P275-P415 HydrophobicContact CG-CG 4.25Å; P275-F416 HydrophobicContact CG-CE2 4.13Å; P275-M464 HydrophobicContact CB-CB 4.42Å; P275-M464 HydrophobicContact CG-CB 3.59Å; P275-I470 HydrophobicContact CB-CD1 3.85Å; P275-I470 HydrophobicContact CB-CG1 4.32Å; P275-I470 HydrophobicContact CG-CD1 4.15Å; P275-I470 HydrophobicContact CG-CG1 4.06Å
276	D	92.2	Very high	89.1	Confident	19 Å²	19	29.7 Å²	29.7	10%	0.102	17%	0.173	C	C	.	.			trans	-67.3	117.2	174.6	179.5	21.6	0	0	0	111.3	Q278 Y279 S280 P389 N393	D276-Q278 VanDerWaalsContact C-N 3.33Å; D276-Q278 PolarHBondContact OD1-N 3.43Å; D276-Q278 VanDerWaalsContact OD1-N 3.1Å; D276-Y279 VanDerWaalsContact OD2-CB 3.32Å; D276-Y279 WeakPolarHBondContact OD2-CB 3.4Å; D276-Y279 PolarHBondContact OD2-N 3.22Å; D276-S280 PolarHBondContact O-N 2.9Å; D276-P389 HydrophobicContact CB-CB 4.38Å; D276-N393 WeakPolarHBondContact CB-OD1 3.47Å; D276-N393 PolarHBondContact OD2-ND2 3.42Å
277	L	93.5	Very high	89.4	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-69.6	-31.8	179.5	-72.4	168	0	0	0	111.8	V188 V192 F238 V240 M274 P275 S280 V281 T467 I470	V188-L277 HydrophobicContact CG1-CB 3.65Å; V192-L277 HydrophobicContact CG2-CD1 3.9Å; V192-L277 HydrophobicContact CG2-CD2 4.15Å; F238-L277 HydrophobicContact CD1-CD1 4.3Å; V240-L277 HydrophobicContact CG1-CD1 3.77Å; M274-L277 HydrophobicContact CE-CD1 3.42Å; M274-L277 VanDerWaalsContact CE-CD1 3.42Å; M274-L277 HydrophobicContact CE-CG 4.04Å; P275-L277 PolarHBondContact O-N 2.71Å; L277-S280 PolarHBondContact O-N 3.38Å; L277-V281 WeakPolarHBondContact O-CG2 3.26Å; L277-V281 PolarHBondContact O-N 3.38Å; L277-T467 HydrophobicContact CD2-CG2 4.01Å; L277-I470 HydrophobicContact CD2-CB 4.19Å; L277-I470 HydrophobicContact CD2-CD1 4.28Å; L277-I470 HydrophobicContact CD2-CG2 3.7Å
278	Q	90.5	Very high	89.3	Confident	44 Å²	44	30.2 Å²	30.2	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-52.9	175.8	-179	73	34.2	0	0	110	V188 D276 S280 V281 E282 V349	V188-Q278 HydrophobicContact CG2-CB 4.29Å; D276-Q278 VanDerWaalsContact C-N 3.33Å; D276-Q278 PolarHBondContact OD1-N 3.43Å; D276-Q278 VanDerWaalsContact OD1-N 3.1Å; Q278-S280 VanDerWaalsContact C-N 3.27Å; Q278-S280 PolarHBondContact O-N 2.98Å; Q278-V281 PolarHBondContact O-N 3.24Å; Q278-E282 PolarHBondContact NE2-OE1 2.91Å; Q278-E282 PolarHBondContact O-N 3.5Å; Q278-E282 VanDerWaalsContact O-N 3.15Å; Q278-V349 HydrophobicContact CG-CG1 4.44Å
279	Y	88.7	Confident	89	Confident	9 Å²	9	32.8 Å²	32.8	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-41.5	174.6	176.4	-87.7	0	0	0	112.4	D276 V281 E282 Y283 G284 V349 N393 V396 E397	D276-Y279 VanDerWaalsContact OD2-CB 3.32Å; D276-Y279 WeakPolarHBondContact OD2-CB 3.4Å; D276-Y279 PolarHBondContact OD2-N 3.22Å; Y279-V281 VanDerWaalsContact C-N 3.33Å; Y279-V281 PolarHBondContact O-N 3.21Å; Y279-E282 PolarHBondContact O-N 2.76Å; Y279-Y283 AromaticContact CD2-CD2 3.72Å; Y279-Y283 HydrophobicContact CD2-CD2 3.72Å; Y279-Y283 HydrophobicContact CD2-CG 4.41Å; Y279-Y283 AromaticContact CE2-CD2 3.74Å; Y279-Y283 HydrophobicContact CE2-CD2 3.74Å; Y279-Y283 HydrophobicContact CE2-CG 4.03Å; Y279-Y283 HydrophobicContact CG-CD2 4.49Å; Y279-Y283 PolarHBondContact O-N 2.91Å; Y279-G284 PolarHBondContact O-N 2.81Å; Y279-V349 HydrophobicContact CD2-CG2 4.05Å; Y279-N393 VanDerWaalsContact CB-OD1 3.22Å; Y279-N393 WeakPolarHBondContact CB-OD1 3.48Å; Y279-N393 HydrophobicContact CD2-CB 4.13Å; Y279-N393 HydrophobicContact CG-CB 4.32Å; Y279-V396 HydrophobicContact CE1-CG1 4.2Å; Y279-E397 HydrophobicContact CE2-CG 4.39Å; Y279-E397 WeakPolarHBondContact OH-CG 3.49Å; Y279-E397 PolarHBondContact OH-OE1 2.92Å; Y279-E397 PolarHBondContact OH-OE2 2.7Å
280	S	92.1	Very high	88.7	Confident	8 Å²	8	39.1 Å²	39.1	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-35.1	178.8	-166.5	0	0	0	0	113.7	D276 L277 Q278 G284 N466 T467 I470	D276-S280 PolarHBondContact O-N 2.9Å; L277-S280 PolarHBondContact O-N 3.38Å; Q278-S280 VanDerWaalsContact C-N 3.27Å; Q278-S280 PolarHBondContact O-N 2.98Å; S280-G284 WeakPolarHBondContact O-CA 3.49Å; S280-G284 PolarHBondContact O-N 3.46Å; S280-N466 WeakPolarHBondContact OG-CA 3.39Å; S280-T467 PolarHBondContact OG-N 2.99Å; S280-I470 VanDerWaalsContact OG-CD1 3.32Å; S280-I470 WeakPolarHBondContact OG-CD1 3.47Å
281	V	92.1	Very high	88.9	Confident	37 Å²	37	40.1 Å²	40.1	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-73.3	-36.1	177.7	172.2	0	0	0	0	111.5	M187 V188 K191 L277 Q278 Y279 T467	M187-V281 HydrophobicContact CE-CG1 3.78Å; M187-V281 HydrophobicContact CG-CG1 4.29Å; M187-V281 HydrophobicContact SD-CG1 4.4Å; V188-V281 HydrophobicContact CB-CG2 4.41Å; V188-V281 HydrophobicContact CG1-CG2 4.2Å; V188-V281 HydrophobicContact CG2-CB 4.23Å; V188-V281 HydrophobicContact CG2-CG2 4.16Å; K191-V281 HydrophobicContact CB-CG2 4.03Å; K191-V281 HydrophobicContact CG-CG2 4.07Å; L277-V281 WeakPolarHBondContact O-CG2 3.26Å; L277-V281 PolarHBondContact O-N 3.38Å; Q278-V281 PolarHBondContact O-N 3.24Å; Y279-V281 VanDerWaalsContact C-N 3.33Å; Y279-V281 PolarHBondContact O-N 3.21Å; V281-T467 HydrophobicContact CG2-CG2 4.38Å; V281-T467 WeakPolarHBondContact CG2-OG1 3.38Å
282	E	88.2	Confident	89.1	Confident	79 Å²	79	40.4 Å²	40.4	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-83.8	-39.5	-178.1	-67.7	-171	-163.7	0	0	114.1	Q278 Y279 V349	Q278-E282 PolarHBondContact NE2-OE1 2.91Å; Q278-E282 PolarHBondContact O-N 3.5Å; Q278-E282 VanDerWaalsContact O-N 3.15Å; Y279-E282 PolarHBondContact O-N 2.76Å; E282-V349 WeakPolarHBondContact OE1-CG1 3.41Å; E282-V349 WeakPolarHBondContact OE2-CG1 3.45Å
283	Y	86.5	Confident	89.1	Confident	98 Å²	98	43.9 Å²	43.9	38%	0.384	25%	0.246	S	C	.	.	H	α-helix	trans	-128.7	1.8	-169.7	-57.1	-70.2	0	0	0	113.9	Y279 V349 L363	Y279-Y283 AromaticContact CD2-CD2 3.72Å; Y279-Y283 HydrophobicContact CD2-CD2 3.72Å; Y279-Y283 HydrophobicContact CD2-CG 4.41Å; Y279-Y283 AromaticContact CE2-CD2 3.74Å; Y279-Y283 HydrophobicContact CE2-CD2 3.74Å; Y279-Y283 HydrophobicContact CE2-CG 4.03Å; Y279-Y283 HydrophobicContact CG-CD2 4.49Å; Y279-Y283 PolarHBondContact O-N 2.91Å; Y283-V349 HydrophobicContact CD2-CG2 4.1Å; Y283-V349 HydrophobicContact CE2-CG1 4.28Å; Y283-V349 HydrophobicContact CE2-CG2 3.64Å; Y283-L363 HydrophobicContact CD1-CD2 3.28Å; Y283-L363 HydrophobicContact CD2-CD2 4.37Å; Y283-L363 HydrophobicContact CE1-CD2 3.47Å; Y283-L363 VanDerWaalsContact CE1-CD2 3.47Å; Y283-L363 HydrophobicContact CG-CD2 3.76Å
284	G	87	Confident	89.1	Confident	35 Å²	35	44.1 Å²	44.1	36%	0.361	25%	0.247	S	C	.	.			trans	-69.7	161.2	174.1	0	0	0	0	0	112.6	Y279 S280	Y279-G284 PolarHBondContact O-N 2.81Å; S280-G284 WeakPolarHBondContact O-CA 3.49Å; S280-G284 PolarHBondContact O-N 3.46Å
285	G	90	Very high	89.1	Confident	32 Å²	32	47.2 Å²	47.2	33%	0.33	27%	0.267	S	S	.	.			trans	158.7	140	-177.7	0	0	0	0	0	110.1	W460 C465	G285-W460 WeakPolarHBondContact O-CZ2 3.42Å; G285-C465 CarbonylContact C-O 3.56Å; G285-C465 PolarHBondContact N-O 3.07Å
286	C	88.8	Confident	89.1	Confident	43 Å²	43	51.2 Å²	51.2	29%	0.291	29%	0.292	S	S	.	.			trans	-102.9	7.2	-178.3	-49.3	0	0	0	0	112.9	C465 N466	C286-C465 HydrophobicContact CB-CB 3.85Å; C286-C465 WeakPolarHBondContact CB-SG 3.4Å; C286-C465 WeakPolarHBondContact SG-CB 3.31Å; C286-C465 CovalentContact SG-SG 2.04Å; C286-C465 PolarHBondContact SG-SG 3.4Å; C286-N466 PolarHBondContact SG-ND2 3.49Å; C286-N466 VanDerWaalsContact SG-ND2 3.44Å
287	S	85.5	Confident	89.3	Confident	69 Å²	69	50.6 Å²	50.6	48%	0.483	29%	0.29	S	S	.	.			trans	-65.4	138.1	175.6	163.8	0	0	0	0	110.5	D289	S287-D289 PolarHBondContact OG-N 2.94Å; S287-D289 PolarHBondContact OG-OD2 3.1Å
288	T	80.8	Confident	89.4	Confident	20 Å²	20	56.2 Å²	56.2	12%	0.123	31%	0.311	C	S	.	.			trans	-96	-9.1	-179.3	50.4	0	0	0	0	113.1	Q290 L291 I828	T288-Q290 PolarHBondContact O-N 2.72Å; T288-L291 HydrophobicContact CG2-CD1 4.09Å; T288-L291 PolarHBondContact O-N 3.43Å; T288-I828 WeakPolarHBondContact CG2-O 3.06Å
289	D	76	Confident	89.7	Confident	135 Å²	135	55.6 Å²	55.6	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.3	-165.6	-54.1	-41	0	0	0	114.3	S287	S287-D289 PolarHBondContact OG-N 2.94Å; S287-D289 PolarHBondContact OG-OD2 3.1Å
290	Q	78.4	Confident	90	Very high	157 Å²	157	59.1 Å²	59.1	73%	0.734	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	9.2	-178.1	-61.5	-173	-9.3	0	0	113.7	T288 K371	T288-Q290 PolarHBondContact O-N 2.72Å; Q290-K371 PolarHBondContact O-NZ 2.78Å
291	L	90.1	Very high	90.2	Very high	28 Å²	28	62 Å²	62	15%	0.147	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-83.6	137.9	-179.3	-60.3	178.5	0	0	0	110	T288 K400 F401 W460	T288-L291 HydrophobicContact CG2-CD1 4.09Å; T288-L291 PolarHBondContact O-N 3.43Å; L291-K400 HydrophobicContact CD2-CG 3.82Å; L291-F401 HydrophobicContact CD2-CD1 4.22Å; L291-F401 HydrophobicContact CD2-CE1 4.1Å; L291-W460 HydrophobicContact CD1-CH2 3.72Å; L291-W460 HydrophobicContact CD1-CZ3 3.53Å; L291-W460 HydrophobicContact CD2-CH2 4.49Å
292	P	92.4	Very high	90.5	Very high	26 Å²	26	61 Å²	61	17%	0.169	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-68.4	150.4	174.8	32	-38	0	0	0	110.2	K371 F401 R457	P292-K371 HydrophobicContact CB-CG 4.31Å; P292-K371 HydrophobicContact CG-CB 4.41Å; P292-K371 HydrophobicContact CG-CG 3.93Å; P292-F401 HydrophobicContact CG-CB 4.37Å; P292-F401 HydrophobicContact CG-CD1 4.49Å; P292-F401 WeakPolarHBondContact CG-O 3.37Å; P292-R457 PolarHBondContact O-NH2 3.46Å
293	L	93.4	Very high	90.9	Very high	73 Å²	73	57.3 Å²	57.3	38%	0.382	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-57.2	147.8	169.9	-61.8	175.5	0	0	0	110.5	T295 R299 G830	L293-T295 WeakPolarHBondContact CB-O 3.2Å; L293-T295 PolarHBondContact O-N 2.73Å; L293-R299 PolarHBondContact O-NH2 2.84Å; L293-G830 CarbonylContact C-O 3.56Å; L293-G830 WeakPolarHBondContact CA-O 3.32Å; L293-G830 WeakPolarHBondContact CD2-O 3.27Å
294	L	95	Very high	91.3	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	30%	0.301	C	S	.	.	S	Bend	trans	-70	-28.3	176.6	-57.1	-175.4	0	0	0	111.5	L450 R453 R454 R457 G830 Y831	L294-L450 VanDerWaalsContact O-CD2 3.32Å; L294-L450 WeakPolarHBondContact O-CD2 3.32Å; L294-R453 HydrophobicContact CD2-CB 4.35Å; L294-R453 PolarHBondContact O-NH1 2.99Å; L294-R454 HydrophobicContact CD1-CB 4.19Å; L294-R454 HydrophobicContact CD1-CG 4.48Å; L294-R457 HydrophobicContact CD2-CB 4.28Å; L294-G830 PolarHBondContact N-O 3.17Å; L294-Y831 HydrophobicContact CD1-CD1 3.79Å; L294-Y831 HydrophobicContact CD1-CE1 4.34Å; L294-Y831 HydrophobicContact CD1-CG 4.17Å
295	T	93.7	Very high	91.6	Very high	67 Å²	67	51 Å²	51	41%	0.411	28%	0.283	S	S	.	.			trans	-90.7	150	172.7	54.2	0	0	0	0	111.6	L293 L450	L293-T295 WeakPolarHBondContact CB-O 3.2Å; L293-T295 PolarHBondContact O-N 2.73Å; T295-L450 HydrophobicContact CG2-CD2 4Å
296	P	95.9	Very high	91.6	Very high	86 Å²	86	49.9 Å²	49.9	56%	0.558	27%	0.269	S	S	*	.	S	Bend	cis	-71.2	160.7	-3.1	30.9	-36.7	0	0	0	112.5	R298 R453	P296-R298 VanDerWaalsContact C-N 3.28Å; P296-R298 WeakPolarHBondContact CG-O 3.47Å; P296-R298 PolarHBondContact O-N 2.8Å; P296-R453 PolarHBondContact O-NH1 3.47Å
297	A	96.6	Very high	91.3	Very high	7 Å²	7	49.1 Å²	49.1	6%	0.058	26%	0.263	C	S	.	.	S	Bend	trans	-56.9	-42.5	176.5	0	0	0	0	0	111.6	D446 I449 L450 R453	A297-D446 HydrophobicContact CB-CB 3.58Å; A297-I449 HydrophobicContact CB-CB 4.41Å; A297-I449 HydrophobicContact CB-CG2 4.23Å; A297-I449 WeakPolarHBondContact O-CG2 3.45Å; A297-L450 HydrophobicContact CB-CD1 4.2Å; A297-L450 HydrophobicContact CB-CD2 4.14Å; A297-L450 HydrophobicContact CB-CG 3.83Å; A297-R453 PolarHBondContact O-NH1 3.02Å; A297-R453 PolarHBondContact O-NH2 3.04Å
298	R	96.2	Very high	91.1	Very high	122 Å²	122	47.3 Å²	47.3	46%	0.46	25%	0.248	S	C	.	.	S	Bend	trans	-105.7	124.6	178.6	-58.4	177.6	-174.3	-140.4	-10.2	109.7	P296 L444 D446 I449	P296-R298 VanDerWaalsContact C-N 3.28Å; P296-R298 WeakPolarHBondContact CG-O 3.47Å; P296-R298 PolarHBondContact O-N 2.8Å; R298-L444 PolarHBondContact NH2-O 2.93Å; R298-D446 IonicContact CZ-OD1 3.45Å; R298-D446 IonicContact NE-OD1 3.32Å; R298-D446 PolarHBondContact NE-OD1 3.22Å; R298-D446 IonicContact NH2-OD1 3.7Å; R298-I449 HydrophobicContact CG-CD1 4.43Å
299	R	96.3	Very high	91	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.117	26%	0.264	C	S	.	.			trans	-102.5	173.2	177.9	-65.9	173.9	170.6	178	-2.4	110.5	L293 Y301 L370 K371 N372 S373 T374 F401 G402	L293-R299 PolarHBondContact O-NH2 2.84Å; R299-Y301 VanDerWaalsContact C-N 3.32Å; R299-Y301 PolarHBondContact O-N 3.05Å; R299-L370 PolarHBondContact NH1-O 3.01Å; R299-K371 WeakPolarHBondContact CD-O 3.46Å; R299-K371 VanDerWaalsContact CZ-O 3.25Å; R299-K371 PolarHBondContact NE-O 2.98Å; R299-K371 PolarHBondContact NH1-O 3.12Å; R299-K371 VanDerWaalsContact NH1-O 3.08Å; R299-N372 VanDerWaalsContact CB-O 3.28Å; R299-N372 WeakPolarHBondContact CB-O 3.25Å; R299-S373 VanDerWaalsContact CD-O 3.28Å; R299-S373 WeakPolarHBondContact CD-O 3.42Å; R299-S373 PolarHBondContact NH1-O 3.38Å; R299-T374 PolarHBondContact N-OG1 2.75Å; R299-F401 PolarHBondContact NH1-O 2.76Å; R299-F401 PolarHBondContact NH2-O 2.9Å; R299-G402 PolarHBondContact NH1-O 3.19Å
300	S	95.6	Very high	91.1	Very high	83 Å²	83	47.2 Å²	47.2	58%	0.58	24%	0.239	S	C	*	.	S	Bend	trans	-50.2	-48.2	-173.7	-50.7	0	0	0	0	113.4	S338 N372	S300-S338 WeakPolarHBondContact O-CB 3.48Å; S300-N372 PolarHBondContact N-O 2.73Å
301	Y	96.5	Very high	91.3	Very high	69 Å²	69	39.8 Å²	39.8	27%	0.271	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.1	173.8	-55.1	-66.3	0	0	0	110.1	R299 S338 Y340 N372 S373 T374	R299-Y301 VanDerWaalsContact C-N 3.32Å; R299-Y301 PolarHBondContact O-N 3.05Å; Y301-S338 CarbonylContact C-O 3.53Å; Y301-S338 VanDerWaalsContact CA-O 3.31Å; Y301-S338 WeakPolarHBondContact CA-O 3.34Å; Y301-Y340 HydrophobicContact CE1-CD2 4.44Å; Y301-Y340 HydrophobicContact CE2-CD2 4.41Å; Y301-N372 HydrophobicContact CD2-CB 3.93Å; Y301-N372 HydrophobicContact CE2-CB 4.06Å; Y301-N372 PolarHBondContact N-O 3.49Å; Y301-S373 CarbonylContact O-C 3.44Å; Y301-T374 PolarHBondContact O-N 2.88Å; Y301-T374 PolarHBondContact O-OG1 2.71Å
302	L	97.3	Very high	90.6	Very high	17 Å²	17	43 Å²	43	9%	0.089	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-51.6	169.6	178.7	63.5	0	0	0	109.3	D337 S338 F339 T374 F375 L441 R442	L302-D337 HydrophobicContact CB-CB 4.11Å; L302-D337 HydrophobicContact CD2-CB 3.88Å; L302-S338 PolarHBondContact N-O 2.83Å; L302-F339 HydrophobicContact CB-CE1 4.4Å; L302-F339 HydrophobicContact CD2-CE1 4.14Å; L302-F339 HydrophobicContact CD2-CZ 4.17Å; L302-T374 WeakPolarHBondContact O-CB 3.34Å; L302-F375 HydrophobicContact CD1-CD2 3.92Å; L302-F375 HydrophobicContact CD1-CE2 3.94Å; L302-F375 WeakPolarHBondContact O-CB 3.3Å; L302-F375 VanDerWaalsContact O-CD2 3.29Å; L302-F375 WeakPolarHBondContact O-CD2 3.3Å; L302-F375 PolarHBondContact O-N 3.1Å; L302-L441 HydrophobicContact CD1-CB 4.44Å; L302-R442 HydrophobicContact CD2-CG 4.15Å
303	L	97.6	Very high	89.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.4	-179	178	71.5	0	0	0	110.9	V305 L327 F339 Y340 F341 F375 L377 V406 L437 L441	L303-V305 HydrophobicContact CD2-CG2 4.14Å; L303-V305 HydrophobicContact CG-CG2 4.17Å; L303-L327 HydrophobicContact CD2-CD2 4.41Å; L303-F339 HydrophobicContact CB-CD1 3.95Å; L303-F339 HydrophobicContact CB-CE1 4.2Å; L303-F339 WeakPolarHBondContact O-CA 3.46Å; L303-Y340 PolarHBondContact O-N 2.99Å; L303-Y340 VanDerWaalsContact O-N 3.09Å; L303-F341 HydrophobicContact CD2-CE1 4.26Å; L303-F341 HydrophobicContact CD2-CZ 4.45Å; L303-F341 HydrophobicContact CG-CE1 4.35Å; L303-F375 WeakPolarHBondContact CA-O 3.32Å; L303-F375 HydrophobicContact CD1-CB 3.83Å; L303-L377 HydrophobicContact CD1-CB 4.26Å; L303-V406 HydrophobicContact CD1-CG2 4.43Å; L303-L437 HydrophobicContact CD2-CD2 3.74Å; L303-L441 HydrophobicContact CB-CD1 4.08Å; L303-L441 HydrophobicContact CD1-CD1 4.09Å; L303-L441 HydrophobicContact CD2-CD1 4.26Å; L303-L441 HydrophobicContact CG-CD1 4.38Å
304	S	95	Very high	88.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.5	165.7	52.8	0	0	0	0	112.2	Y340 S373 F375 T376 L377	S304-Y340 CarbonylContact C-O 3.52Å; S304-Y340 WeakPolarHBondContact CA-O 3.39Å; S304-S373 VanDerWaalsContact CB-OG 3.25Å; S304-S373 WeakPolarHBondContact CB-OG 3.32Å; S304-S373 WeakPolarHBondContact OG-CB 3.42Å; S304-S373 PolarHBondContact OG-OG 3.49Å; S304-F375 PolarHBondContact N-O 2.96Å; S304-F375 PolarHBondContact OG-O 3.39Å; S304-T376 CarbonylContact O-C 3.59Å; S304-T376 VanDerWaalsContact O-CA 3.31Å; S304-T376 WeakPolarHBondContact O-CA 3.42Å; S304-T376 PolarHBondContact O-OG1 2.62Å; S304-T376 WeakPolarHBondContact OG-CB 3.37Å; S304-T376 PolarHBondContact OG-OG1 3.34Å; S304-L377 PolarHBondContact O-N 3.41Å
305	V	93.2	Very high	87.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130	176.5	-171.6	0	0	0	0	108.9	L303 L308 L327 Y340 F341 A342 L377 Y379	L303-V305 HydrophobicContact CD2-CG2 4.14Å; L303-V305 HydrophobicContact CG-CG2 4.17Å; V305-L308 HydrophobicContact CB-CD2 4.15Å; V305-L308 HydrophobicContact CB-CG 4.3Å; V305-L308 HydrophobicContact CG1-CD2 3.49Å; V305-L308 VanDerWaalsContact CG1-CD2 3.49Å; V305-L308 HydrophobicContact CG1-CG 3.86Å; V305-L327 HydrophobicContact CG1-CD1 4.41Å; V305-L327 HydrophobicContact CG2-CD1 4.43Å; V305-L327 HydrophobicContact CG2-CD2 4.34Å; V305-Y340 PolarHBondContact N-O 3.32Å; V305-F341 HydrophobicContact CB-CD1 3.67Å; V305-F341 HydrophobicContact CB-CE1 4.11Å; V305-F341 HydrophobicContact CG2-CD1 3.52Å; V305-F341 HydrophobicContact CG2-CE1 3.4Å; V305-F341 VanDerWaalsContact CG2-CE1 3.4Å; V305-F341 HydrophobicContact CG2-CZ 4.39Å; V305-A342 PolarHBondContact O-N 3.12Å; V305-L377 HydrophobicContact CB-CB 4.41Å; V305-L377 HydrophobicContact CG1-CB 4.23Å; V305-L377 HydrophobicContact CG1-CD2 3.88Å; V305-L377 HydrophobicContact CG2-CB 3.72Å; V305-L377 HydrophobicContact CG2-CD2 3.93Å; V305-L377 HydrophobicContact CG2-CG 4.49Å; V305-Y379 HydrophobicContact CG1-CE1 4.13Å
306	F	88.6	Confident	85.9	Confident	9 Å²	9	57.5 Å²	57.5	4%	0.039	29%	0.289	C	S	.	.			trans	-108.3	155.1	176.7	-57.3	-79.9	0	0	0	110.4	L308 Y340 A342 C345 V366 V369 L370 Y379 H394	F306-L308 PolarHBondContact O-N 3.34Å; F306-Y340 HydrophobicContact CE1-CD1 4.4Å; F306-Y340 HydrophobicContact CE1-CE1 4.07Å; F306-A342 HydrophobicContact CD1-CB 4.37Å; F306-C345 HydrophobicContact CB-CB 4.14Å; F306-C345 HydrophobicContact CD1-CB 4.06Å; F306-V366 HydrophobicContact CD1-CG2 4.36Å; F306-V366 HydrophobicContact CE1-CB 4.34Å; F306-V366 HydrophobicContact CE1-CG1 3.97Å; F306-V366 HydrophobicContact CE1-CG2 4.09Å; F306-V366 HydrophobicContact CE2-CG1 4.07Å; F306-V366 HydrophobicContact CZ-CB 4.46Å; F306-V366 HydrophobicContact CZ-CG1 3.7Å; F306-V369 HydrophobicContact CE1-CB 4.26Å; F306-V369 HydrophobicContact CE1-CG1 4.1Å; F306-V369 HydrophobicContact CZ-CB 3.93Å; F306-V369 HydrophobicContact CZ-CG1 3.61Å; F306-L370 HydrophobicContact CE2-CD2 3.87Å; F306-L370 HydrophobicContact CE2-CG 4.33Å; F306-L370 HydrophobicContact CZ-CD2 4.34Å; F306-L370 HydrophobicContact CZ-CG 4.4Å; F306-Y379 WeakPolarHBondContact O-CE1 3.35Å; F306-Y379 PolarHBondContact O-OH 2.85Å; F306-H394 AromaticContact CD2-CE1 3.85Å; F306-H394 AromaticContact CD2-NE2 3.86Å
307	N	82.5	Confident	84.6	Confident	28 Å²	28	60.5 Å²	60.5	15%	0.15	29%	0.29	C	S	.	.			trans	59.6	35.8	177.9	-143.7	-7.9	0	0	0	117	Q309 R310 A342 S343 C345 Y379	N307-Q309 PolarHBondContact O-N 2.99Å; N307-R310 HydrophobicContact CB-CG 4.45Å; N307-R310 WeakPolarHBondContact ND2-CD 3.33Å; N307-R310 PolarHBondContact O-N 2.84Å; N307-A342 PolarHBondContact N-O 3.33Å; N307-S343 CarbonylContact C-O 3.17Å; N307-S343 WeakPolarHBondContact CA-O 3.43Å; N307-C345 WeakPolarHBondContact CB-O 3.45Å; N307-C345 PolarHBondContact N-O 3.3Å; N307-Y379 WeakPolarHBondContact CB-OH 3.37Å; N307-Y379 PolarHBondContact O-OH 2.7Å
308	L	81.6	Confident	83.4	Confident	31 Å²	31	62.5 Å²	62.5	16%	0.162	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-55.7	-22.6	-176.1	-76.3	168	0	0	0	115	V305 F306 R310 F311 L327 F341 A342 S343	V305-L308 HydrophobicContact CB-CD2 4.15Å; V305-L308 HydrophobicContact CB-CG 4.3Å; V305-L308 HydrophobicContact CG1-CD2 3.49Å; V305-L308 VanDerWaalsContact CG1-CD2 3.49Å; V305-L308 HydrophobicContact CG1-CG 3.86Å; F306-L308 PolarHBondContact O-N 3.34Å; L308-R310 PolarHBondContact O-N 2.87Å; L308-F311 HydrophobicContact CD2-CD2 3.79Å; L308-F311 HydrophobicContact CD2-CE2 3.85Å; L308-F311 PolarHBondContact O-N 3.28Å; L308-F311 VanDerWaalsContact O-N 3.16Å; L308-L327 HydrophobicContact CD2-CD1 3.52Å; L308-F341 HydrophobicContact CD1-CB 3.37Å; L308-F341 HydrophobicContact CD1-CG 3.9Å; L308-A342 PolarHBondContact N-O 3.46Å; L308-S343 PolarHBondContact N-O 3.07Å; L308-S343 VanDerWaalsContact N-O 3.11Å
309	Q	78.7	Confident	82.4	Confident	101 Å²	101	59.9 Å²	59.9	47%	0.472	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.2	176.7	-176.7	171.6	-42.8	0	0	112.4	N307 F311 N312 S343 N344	N307-Q309 PolarHBondContact O-N 2.99Å; Q309-F311 PolarHBondContact O-N 3.36Å; Q309-N312 WeakPolarHBondContact O-CB 3.4Å; Q309-N312 PolarHBondContact O-N 2.67Å; Q309-S343 VanDerWaalsContact CB-O 3.32Å; Q309-S343 WeakPolarHBondContact CB-O 3.31Å; Q309-S343 PolarHBondContact N-O 3.14Å; Q309-N344 WeakPolarHBondContact CB-OD1 3.4Å; Q309-N344 VanDerWaalsContact CD-OD1 3.28Å; Q309-N344 VanDerWaalsContact OE1-CG 3.29Å; Q309-N344 PolarHBondContact OE1-ND2 3.2Å; Q309-N344 PolarHBondContact OE1-OD1 3.2Å
310	R	79.3	Confident	81.5	Confident	52 Å²	52	58.8 Å²	58.8	20%	0.196	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30	176.6	-73.1	-167.7	73.7	-168	-1.1	112.6	N307 L308 N312 E313 Y379 E380 L381	N307-R310 HydrophobicContact CB-CG 4.45Å; N307-R310 WeakPolarHBondContact ND2-CD 3.33Å; N307-R310 PolarHBondContact O-N 2.84Å; L308-R310 PolarHBondContact O-N 2.87Å; R310-N312 PolarHBondContact O-N 3.38Å; R310-E313 VanDerWaalsContact O-CB 3.27Å; R310-E313 WeakPolarHBondContact O-CB 3.34Å; R310-E313 WeakPolarHBondContact O-CG 3.4Å; R310-E313 PolarHBondContact O-N 3.1Å; R310-Y379 HydrophobicContact CB-CE2 4.43Å; R310-E380 IonicContact CZ-OE1 3.55Å; R310-E380 IonicContact NH1-OE1 3.42Å; R310-E380 PolarHBondContact NH1-OE1 3.05Å; R310-E380 IonicContact NH1-OE2 3.5Å; R310-E380 PolarHBondContact NH1-OE2 2.89Å; R310-E380 IonicContact NH2-OE1 2.81Å; R310-E380 PolarHBondContact NH2-OE1 3.12Å; R310-L381 HydrophobicContact CB-CD1 3.62Å; R310-L381 WeakPolarHBondContact O-CD1 3.35Å
311	F	81.7	Confident	80.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-67.1	-15.1	177.2	-68.2	-73.1	0	0	0	114	L308 Q309 E313 M320 V323 A324 L327 L377 Y379 L381 L408	L308-F311 HydrophobicContact CD2-CD2 3.79Å; L308-F311 HydrophobicContact CD2-CE2 3.85Å; L308-F311 PolarHBondContact O-N 3.28Å; L308-F311 VanDerWaalsContact O-N 3.16Å; Q309-F311 PolarHBondContact O-N 3.36Å; F311-E313 VanDerWaalsContact C-N 3.32Å; F311-M320 HydrophobicContact CD1-CE 3.3Å; F311-M320 HydrophobicContact CE1-CE 3.44Å; F311-M320 VanDerWaalsContact CE1-CE 3.44Å; F311-M320 CarbonylContact O-C 3.53Å; F311-M320 VanDerWaalsContact O-CB 3.32Å; F311-M320 WeakPolarHBondContact O-CB 3.26Å; F311-V323 HydrophobicContact CD1-CB 3.9Å; F311-V323 HydrophobicContact CD1-CG1 3.62Å; F311-V323 HydrophobicContact CE1-CB 4.07Å; F311-V323 HydrophobicContact CE1-CG1 3.36Å; F311-V323 HydrophobicContact CE2-CG1 4.5Å; F311-V323 HydrophobicContact CG-CG1 4.33Å; F311-V323 HydrophobicContact CZ-CG1 3.85Å; F311-A324 HydrophobicContact CB-CB 3.89Å; F311-L327 HydrophobicContact CE2-CD1 4.29Å; F311-L377 HydrophobicContact CZ-CD2 4.44Å; F311-Y379 HydrophobicContact CD2-CE2 4.45Å; F311-Y379 HydrophobicContact CE1-CD2 4.07Å; F311-Y379 HydrophobicContact CE1-CE2 4.18Å; F311-Y379 HydrophobicContact CE1-CG 4.42Å; F311-Y379 HydrophobicContact CE2-CD1 4.2Å; F311-Y379 HydrophobicContact CE2-CD2 4.23Å; F311-Y379 AromaticContact CE2-CE1 3.69Å; F311-Y379 HydrophobicContact CE2-CE1 3.69Å; F311-Y379 AromaticContact CE2-CE2 3.7Å; F311-Y379 HydrophobicContact CE2-CE2 3.7Å; F311-Y379 HydrophobicContact CE2-CG 4.45Å; F311-Y379 AromaticContact CE2-CZ 3.41Å; F311-Y379 VanDerWaalsContact CE2-CZ 3.41Å; F311-Y379 AromaticContact CZ-CD1 3.78Å; F311-Y379 HydrophobicContact CZ-CD1 3.78Å; F311-Y379 AromaticContact CZ-CD2 3.59Å; F311-Y379 HydrophobicContact CZ-CD2 3.59Å; F311-Y379 AromaticContact CZ-CE1 3.75Å; F311-Y379 HydrophobicContact CZ-CE1 3.75Å; F311-Y379 AromaticContact CZ-CE2 3.54Å; F311-Y379 HydrophobicContact CZ-CE2 3.54Å; F311-Y379 AromaticContact CZ-CG 3.7Å; F311-Y379 HydrophobicContact CZ-CG 3.7Å; F311-Y379 AromaticContact CZ-CZ 3.62Å; F311-L381 HydrophobicContact CD1-CD1 4.42Å; F311-L381 HydrophobicContact CD1-CD2 3.98Å; F311-L381 HydrophobicContact CE1-CD2 3.68Å; F311-L381 HydrophobicContact CZ-CD2 4.45Å; F311-L408 HydrophobicContact CE1-CD2 4.28Å; F311-L408 HydrophobicContact CZ-CD2 4.36Å
312	N	76.2	Confident	80.2	Confident	95 Å²	95	63 Å²	63	51%	0.508	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-84.1	-7.1	173.6	-58.6	-26.8	0	0	0	112.5	Q309 R310	Q309-N312 WeakPolarHBondContact O-CB 3.4Å; Q309-N312 PolarHBondContact O-N 2.67Å; R310-N312 PolarHBondContact O-N 3.38Å
313	E	74.4	Confident	79.8	Confident	103 Å²	103	62.1 Å²	62.1	48%	0.481	30%	0.301	S	S	.	.	S	Bend	trans	-71.7	133.8	176.3	-64	171.5	-173.9	0	0	109.8	R310 F311 T315	R310-E313 VanDerWaalsContact O-CB 3.27Å; R310-E313 WeakPolarHBondContact O-CB 3.34Å; R310-E313 WeakPolarHBondContact O-CG 3.4Å; R310-E313 PolarHBondContact O-N 3.1Å; F311-E313 VanDerWaalsContact C-N 3.32Å; E313-T315 PolarHBondContact O-N 2.69Å
314	K	66.5	Low	79.4	Confident	207 Å²	207	62.5 Å²	62.5	90%	0.9	30%	0.304	S	S	*	.			trans	-67.4	115.9	176.1	-71.5	-173.9	177.9	-177.7	0	109.6
315	T	68.3	Low	79.1	Confident	41 Å²	41	69 Å²	69	25%	0.252	33%	0.334	S	S	.	.			trans	-110.4	155.2	170.3	81.3	0	0	0	0	110.7	E313 F318 M320 L381	E313-T315 PolarHBondContact O-N 2.69Å; T315-F318 PolarHBondContact OG1-O 2.93Å; T315-F318 VanDerWaalsContact OG1-O 3.12Å; T315-M320 HydrophobicContact CG2-CG 3.73Å; T315-M320 WeakPolarHBondContact OG1-CG 3.46Å; T315-L381 HydrophobicContact CG2-CB 4.43Å
316	T	66.3	Low	79	Confident	126 Å²	126	70 Å²	70	77%	0.773	34%	0.34	S	S	*	.	S	Bend	trans	-83.2	-15.7	-178.5	36.6	0	0	0	0	114.6
317	Y	69.2	Low	79.1	Confident	148 Å²	148	69.6 Å²	69.6	58%	0.58	34%	0.339	S	S	*	.	S	Bend	trans	-108.8	-27.6	-162.7	-59.1	-76.5	0	0	0	114.7	F383	Y317-F383 HydrophobicContact CD2-CB 4.42Å; Y317-F383 AromaticContact CD2-CD2 3.97Å; Y317-F383 HydrophobicContact CD2-CD2 3.97Å; Y317-F383 HydrophobicContact CG-CD2 4.16Å
318	F	70.9	Confident	79.5	Confident	50 Å²	50	74.6 Å²	74.6	22%	0.219	36%	0.359	C	S	.	.	S	Bend	trans	-149.5	143.6	180	-167.1	-91.6	0	0	0	110.8	T315 M320 V323 F383 V431 A432	T315-F318 PolarHBondContact OG1-O 2.93Å; T315-F318 VanDerWaalsContact OG1-O 3.12Å; F318-M320 VanDerWaalsContact C-N 3.29Å; F318-M320 HydrophobicContact CB-SD 3.99Å; F318-M320 HydrophobicContact CD1-SD 3.94Å; F318-M320 HydrophobicContact CG-SD 4.42Å; F318-M320 PolarHBondContact O-N 3.23Å; F318-V323 HydrophobicContact CD1-CG2 4.3Å; F318-V323 HydrophobicContact CE1-CG2 3.93Å; F318-F383 HydrophobicContact CB-CE2 4.5Å; F318-V431 HydrophobicContact CD1-CG1 3.64Å; F318-V431 HydrophobicContact CD2-CG1 4.32Å; F318-V431 HydrophobicContact CE1-CG1 3.7Å; F318-V431 HydrophobicContact CE2-CG1 4.37Å; F318-V431 HydrophobicContact CG-CG1 3.97Å; F318-V431 HydrophobicContact CZ-CG1 4.07Å; F318-A432 HydrophobicContact CE2-CB 4.42Å
319	P	74.3	Confident	80	Confident	66 Å²	66	75.9 Å²	75.9	43%	0.429	37%	0.371	S	S	.	.			trans	-69.4	84.3	174.8	29.4	-35.4	0	0	0	110.7	E321 Q322	P319-E321 PolarHBondContact O-N 2.88Å; P319-E321 VanDerWaalsContact O-N 3.17Å; P319-Q322 HydrophobicContact CB-CG 4.15Å; P319-Q322 HydrophobicContact CG-CG 4.21Å; P319-Q322 WeakPolarHBondContact O-CB 3.38Å; P319-Q322 PolarHBondContact O-N 3.34Å
320	M	78.5	Confident	80.6	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.039	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-23.3	-176	-61.1	-49.6	-52.9	0	0	113.7	F311 T315 F318 Q322 V323 A324 L381	F311-M320 HydrophobicContact CD1-CE 3.3Å; F311-M320 HydrophobicContact CE1-CE 3.44Å; F311-M320 VanDerWaalsContact CE1-CE 3.44Å; F311-M320 CarbonylContact O-C 3.53Å; F311-M320 VanDerWaalsContact O-CB 3.32Å; F311-M320 WeakPolarHBondContact O-CB 3.26Å; T315-M320 HydrophobicContact CG2-CG 3.73Å; T315-M320 WeakPolarHBondContact OG1-CG 3.46Å; F318-M320 VanDerWaalsContact C-N 3.29Å; F318-M320 HydrophobicContact CB-SD 3.99Å; F318-M320 HydrophobicContact CD1-SD 3.94Å; F318-M320 HydrophobicContact CG-SD 4.42Å; F318-M320 PolarHBondContact O-N 3.23Å; M320-Q322 PolarHBondContact O-N 2.86Å; M320-V323 HydrophobicContact CE-CB 4.28Å; M320-V323 HydrophobicContact CE-CG2 3.91Å; M320-V323 WeakPolarHBondContact O-CB 3.2Å; M320-V323 PolarHBondContact O-N 3.27Å; M320-A324 PolarHBondContact O-N 3.4Å; M320-L381 HydrophobicContact CE-CD2 3.31Å; M320-L381 HydrophobicContact SD-CD2 4.31Å
321	E	81.4	Confident	81.1	Confident	140 Å²	140	73.7 Å²	73.7	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-56.5	-36.2	172.4	-66.2	179.7	-178.8	0	0	111.9	P319 V323 A324 E325	P319-E321 PolarHBondContact O-N 2.88Å; P319-E321 VanDerWaalsContact O-N 3.17Å; E321-V323 VanDerWaalsContact C-N 3.33Å; E321-V323 PolarHBondContact O-N 3.25Å; E321-A324 PolarHBondContact O-N 3.2Å; E321-E325 WeakPolarHBondContact O-CB 3.5Å; E321-E325 PolarHBondContact O-N 2.88Å
322	Q	83.9	Confident	81.3	Confident	100 Å²	100	78.3 Å²	78.3	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-36.4	176.7	-65.6	-179.8	0.8	0	0	111.9	P319 M320 E325 V326	P319-Q322 HydrophobicContact CB-CG 4.15Å; P319-Q322 HydrophobicContact CG-CG 4.21Å; P319-Q322 WeakPolarHBondContact O-CB 3.38Å; P319-Q322 PolarHBondContact O-N 3.34Å; M320-Q322 PolarHBondContact O-N 2.86Å; Q322-E325 PolarHBondContact O-N 2.89Å; Q322-V326 WeakPolarHBondContact O-CB 3.42Å; Q322-V326 VanDerWaalsContact O-CG2 3.25Å; Q322-V326 WeakPolarHBondContact O-CG2 3.33Å; Q322-V326 PolarHBondContact O-N 2.92Å
323	V	89	Confident	81.6	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.2	-46.7	176	175.2	0	0	0	0	109.9	F311 F318 M320 E321 E325 V326 L327 L408 V431 I434	F311-V323 HydrophobicContact CD1-CB 3.9Å; F311-V323 HydrophobicContact CD1-CG1 3.62Å; F311-V323 HydrophobicContact CE1-CB 4.07Å; F311-V323 HydrophobicContact CE1-CG1 3.36Å; F311-V323 HydrophobicContact CE2-CG1 4.5Å; F311-V323 HydrophobicContact CG-CG1 4.33Å; F311-V323 HydrophobicContact CZ-CG1 3.85Å; F318-V323 HydrophobicContact CD1-CG2 4.3Å; F318-V323 HydrophobicContact CE1-CG2 3.93Å; M320-V323 HydrophobicContact CE-CB 4.28Å; M320-V323 HydrophobicContact CE-CG2 3.91Å; M320-V323 WeakPolarHBondContact O-CB 3.2Å; M320-V323 PolarHBondContact O-N 3.27Å; E321-V323 VanDerWaalsContact C-N 3.33Å; E321-V323 PolarHBondContact O-N 3.25Å; V323-E325 VanDerWaalsContact C-N 3.34Å; V323-E325 PolarHBondContact O-N 2.91Å; V323-V326 PolarHBondContact O-N 2.96Å; V323-L327 HydrophobicContact CG1-CD1 4.08Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.35Å; V323-L327 PolarHBondContact O-N 3.45Å; V323-L408 HydrophobicContact CG1-CD2 4.1Å; V323-V431 HydrophobicContact CG2-CG1 3.99Å; V323-I434 HydrophobicContact CB-CG1 4.5Å; V323-I434 HydrophobicContact CG1-CD1 4.28Å; V323-I434 HydrophobicContact CG1-CG1 4.05Å; V323-I434 HydrophobicContact CG2-CG1 4.42Å; V323-I434 HydrophobicContact CG2-CG2 4.24Å
324	A	87.6	Confident	82.1	Confident	7 Å²	7	83 Å²	83	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-62.8	-39.6	176.6	0	0	0	0	0	112.4	F311 M320 E321 K328	F311-A324 HydrophobicContact CB-CB 3.89Å; M320-A324 PolarHBondContact O-N 3.4Å; E321-A324 PolarHBondContact O-N 3.2Å; A324-K328 WeakPolarHBondContact O-CB 3.33Å; A324-K328 VanDerWaalsContact O-CG 3.23Å; A324-K328 WeakPolarHBondContact O-CG 3.47Å; A324-K328 PolarHBondContact O-N 3.17Å
325	E	88.7	Confident	83.1	Confident	136 Å²	136	75.3 Å²	75.3	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-64.1	-46.1	176.8	-174.1	176.7	-169	0	0	111.7	E321 Q322 V323 L327 K328 S329	E321-E325 WeakPolarHBondContact O-CB 3.5Å; E321-E325 PolarHBondContact O-N 2.88Å; Q322-E325 PolarHBondContact O-N 2.89Å; V323-E325 VanDerWaalsContact C-N 3.34Å; V323-E325 PolarHBondContact O-N 2.91Å; E325-L327 PolarHBondContact O-N 2.91Å; E325-K328 CarbonylContact O-C 3.6Å; E325-K328 PolarHBondContact O-N 3.18Å; E325-S329 WeakPolarHBondContact O-CB 3.4Å; E325-S329 PolarHBondContact O-N 3.14Å
326	V	91.3	Very high	84.1	Confident	22 Å²	22	78.8 Å²	78.8	13%	0.133	41%	0.406	C	S	.	.	H	α-helix	trans	-61.3	-46	176.9	170.1	0	0	0	0	110.7	Q322 V323 K328 S329 M330 I434 T435	Q322-V326 WeakPolarHBondContact O-CB 3.42Å; Q322-V326 VanDerWaalsContact O-CG2 3.25Å; Q322-V326 WeakPolarHBondContact O-CG2 3.33Å; Q322-V326 PolarHBondContact O-N 2.92Å; V323-V326 PolarHBondContact O-N 2.96Å; V326-K328 PolarHBondContact O-N 3.46Å; V326-S329 WeakPolarHBondContact O-CB 3.29Å; V326-S329 PolarHBondContact O-N 3.1Å; V326-S329 VanDerWaalsContact O-N 3.14Å; V326-S329 PolarHBondContact O-OG 3.17Å; V326-M330 HydrophobicContact CG1-CE 3.82Å; V326-M330 PolarHBondContact O-N 3.28Å; V326-M330 VanDerWaalsContact O-N 3.14Å; V326-I434 HydrophobicContact CB-CG1 4.39Å; V326-I434 HydrophobicContact CG1-CG1 4.11Å; V326-I434 WeakPolarHBondContact CG1-O 3.44Å; V326-I434 HydrophobicContact CG2-CG2 4.41Å; V326-T435 HydrophobicContact CG2-CG2 3.68Å
327	L	91.8	Very high	85.4	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-61.5	-44.8	175.8	-66.8	173.7	0	0	0	111.1	L303 V305 L308 F311 V323 E325 S329 M330 F341 L377 L437	L303-L327 HydrophobicContact CD2-CD2 4.41Å; V305-L327 HydrophobicContact CG1-CD1 4.41Å; V305-L327 HydrophobicContact CG2-CD1 4.43Å; V305-L327 HydrophobicContact CG2-CD2 4.34Å; L308-L327 HydrophobicContact CD2-CD1 3.52Å; F311-L327 HydrophobicContact CE2-CD1 4.29Å; V323-L327 HydrophobicContact CG1-CD1 4.08Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.35Å; V323-L327 PolarHBondContact O-N 3.45Å; E325-L327 PolarHBondContact O-N 2.91Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 3.01Å; L327-M330 HydrophobicContact CD2-SD 4.11Å; L327-M330 WeakPolarHBondContact O-CB 3.14Å; L327-M330 PolarHBondContact O-N 2.81Å; L327-M330 VanDerWaalsContact O-N 3.15Å; L327-F341 HydrophobicContact CB-CE2 4.24Å; L327-F341 HydrophobicContact CD2-CZ 4.27Å; L327-F341 WeakPolarHBondContact O-CE2 3.46Å; L327-L377 HydrophobicContact CD1-CD2 4.12Å; L327-L437 HydrophobicContact CD2-CD2 4.36Å
328	K	89.8	Confident	86.6	Confident	132 Å²	132	70.5 Å²	70.5	57%	0.574	37%	0.372	S	S	*	.	H	α-helix	trans	-60.3	-37	174	-73.5	169.7	-175.5	173.1	0	112.3	A324 E325 V326 M330 L331	A324-K328 WeakPolarHBondContact O-CB 3.33Å; A324-K328 VanDerWaalsContact O-CG 3.23Å; A324-K328 WeakPolarHBondContact O-CG 3.47Å; A324-K328 PolarHBondContact O-N 3.17Å; E325-K328 CarbonylContact O-C 3.6Å; E325-K328 PolarHBondContact O-N 3.18Å; V326-K328 PolarHBondContact O-N 3.46Å; K328-M330 VanDerWaalsContact C-N 3.28Å; K328-M330 PolarHBondContact O-N 3.39Å; K328-L331 WeakPolarHBondContact O-CB 3.05Å; K328-L331 PolarHBondContact O-N 2.84Å
329	S	91.6	Very high	87.7	Confident	58 Å²	58	69.1 Å²	69.1	41%	0.406	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-32.4	177.9	82.1	0	0	0	0	112.5	E325 V326 L327 L331 S332 S333	E325-S329 WeakPolarHBondContact O-CB 3.4Å; E325-S329 PolarHBondContact O-N 3.14Å; V326-S329 WeakPolarHBondContact O-CB 3.29Å; V326-S329 PolarHBondContact O-N 3.1Å; V326-S329 VanDerWaalsContact O-N 3.14Å; V326-S329 PolarHBondContact O-OG 3.17Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 3.01Å; S329-L331 VanDerWaalsContact C-N 3.33Å; S329-L331 PolarHBondContact O-N 2.79Å; S329-S332 CarbonylContact O-C 3.48Å; S329-S332 PolarHBondContact O-N 3.48Å; S329-S332 VanDerWaalsContact O-N 3.1Å; S329-S332 PolarHBondContact O-OG 3.12Å; S329-S333 PolarHBondContact O-N 3.31Å; S329-S333 VanDerWaalsContact O-N 3.08Å
330	M	91.8	Very high	88.5	Confident	9 Å²	9	70 Å²	70	4%	0.044	36%	0.361	C	S	.	.	H	α-helix	trans	-63.3	-36.5	175.5	-66	175.5	-174.3	0	0	112.2	V326 L327 K328 S332 S333 F339 F341 L437 H438	V326-M330 HydrophobicContact CG1-CE 3.82Å; V326-M330 PolarHBondContact O-N 3.28Å; V326-M330 VanDerWaalsContact O-N 3.14Å; L327-M330 HydrophobicContact CD2-SD 4.11Å; L327-M330 WeakPolarHBondContact O-CB 3.14Å; L327-M330 PolarHBondContact O-N 2.81Å; L327-M330 VanDerWaalsContact O-N 3.15Å; K328-M330 VanDerWaalsContact C-N 3.28Å; K328-M330 PolarHBondContact O-N 3.39Å; M330-S332 VanDerWaalsContact C-N 3.25Å; M330-S332 PolarHBondContact O-N 2.9Å; M330-S333 VanDerWaalsContact O-CB 3.24Å; M330-S333 WeakPolarHBondContact O-CB 3.4Å; M330-S333 PolarHBondContact O-N 3.01Å; M330-S333 VanDerWaalsContact O-N 3.12Å; M330-S333 PolarHBondContact O-OG 2.86Å; M330-F339 HydrophobicContact CB-CD1 4.47Å; M330-F339 HydrophobicContact CB-CD2 4.37Å; M330-F339 HydrophobicContact CB-CE1 4.17Å; M330-F339 HydrophobicContact CB-CE2 4.07Å; M330-F339 HydrophobicContact CB-CZ 3.96Å; M330-F339 WeakPolarHBondContact O-CE2 3.4Å; M330-F339 HydrophobicContact SD-CE1 4.24Å; M330-F341 HydrophobicContact CB-CE2 4.38Å; M330-L437 HydrophobicContact CE-CB 3.81Å; M330-L437 HydrophobicContact CE-CD2 4.09Å; M330-L437 HydrophobicContact CE-CG 4.13Å; M330-H438 HydrophobicContact CE-CB 3.98Å; M330-H438 HydrophobicContact CG-CB 4.42Å; M330-H438 HydrophobicContact SD-CB 4.32Å
331	L	89.2	Confident	89.1	Confident	99 Å²	99	71.3 Å²	71.3	52%	0.518	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-32.8	173.6	-68.6	169.8	0	0	0	112.5	K328 S329 F339 F341	K328-L331 WeakPolarHBondContact O-CB 3.05Å; K328-L331 PolarHBondContact O-N 2.84Å; S329-L331 VanDerWaalsContact C-N 3.33Å; S329-L331 PolarHBondContact O-N 2.79Å; L331-F339 HydrophobicContact CD2-CB 3.88Å; L331-F341 HydrophobicContact CD1-CD2 3.69Å; L331-F341 HydrophobicContact CD1-CE2 4.39Å; L331-F341 HydrophobicContact CD2-CD2 3.8Å; L331-F341 HydrophobicContact CD2-CE2 4.1Å; L331-F341 HydrophobicContact CG-CD2 3.54Å; L331-F341 HydrophobicContact CG-CE2 3.79Å
332	S	86.8	Confident	89.3	Confident	96 Å²	96	65.1 Å²	65.1	67%	0.671	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	1.2	176.9	65.7	0	0	0	0	113.9	S329 M330	S329-S332 CarbonylContact O-C 3.48Å; S329-S332 PolarHBondContact O-N 3.48Å; S329-S332 VanDerWaalsContact O-N 3.1Å; S329-S332 PolarHBondContact O-OG 3.12Å; M330-S332 VanDerWaalsContact C-N 3.25Å; M330-S332 PolarHBondContact O-N 2.9Å
333	S	82.9	Confident	88.8	Confident	37 Å²	37	63.5 Å²	63.5	26%	0.259	34%	0.339	S	S	.	.			trans	-65.6	148.5	-177.3	75.5	0	0	0	0	111.2	S329 M330 T335	S329-S333 PolarHBondContact O-N 3.31Å; S329-S333 VanDerWaalsContact O-N 3.08Å; M330-S333 VanDerWaalsContact O-CB 3.24Å; M330-S333 WeakPolarHBondContact O-CB 3.4Å; M330-S333 PolarHBondContact O-N 3.01Å; M330-S333 VanDerWaalsContact O-N 3.12Å; M330-S333 PolarHBondContact O-OG 2.86Å; S333-T335 PolarHBondContact O-N 2.96Å; S333-T335 PolarHBondContact OG-OG1 2.95Å
334	R	84.3	Confident	87.6	Confident	261 Å²	261	64.8 Å²	64.8	99%	0.985	35%	0.346	S	S	*	.	S	Bend	trans	-77.5	20.5	177.8	-63	-175.7	179.4	178.7	-0.1	113.7
335	T	88.5	Confident	86.5	Confident	45 Å²	45	64.8 Å²	64.8	28%	0.276	35%	0.345	S	S	.	.	S	Bend	trans	-93	161.1	-176.3	69.6	0	0	0	0	110.8	S333 D337 H438	S333-T335 PolarHBondContact O-N 2.96Å; S333-T335 PolarHBondContact OG-OG1 2.95Å; T335-D337 PolarHBondContact O-N 3.2Å; T335-D337 PolarHBondContact OG1-N 3.37Å; T335-D337 PolarHBondContact OG1-OD2 3.31Å; T335-H438 VanDerWaalsContact CG2-CE1 3.47Å; T335-H438 WeakPolarHBondContact CG2-CE1 3.38Å; T335-H438 PolarHBondContact OG1-CE1 3.21Å; T335-H438 VanDerWaalsContact OG1-CE1 3.3Å
336	S	88.2	Confident	85.1	Confident	114 Å²	114	59 Å²	59	80%	0.797	32%	0.32	S	S	*	.	S	Bend	trans	-76.8	-2	172	56.2	0	0	0	0	113.1
337	D	93.7	Very high	83.6	Confident	36 Å²	36	59 Å²	59	19%	0.193	32%	0.319	C	S	.	.			trans	-74.5	130.5	-174.5	-59.3	-45.2	0	0	0	110.1	L302 T335 F339 H438 R442	L302-D337 HydrophobicContact CB-CB 4.11Å; L302-D337 HydrophobicContact CD2-CB 3.88Å; T335-D337 PolarHBondContact O-N 3.2Å; T335-D337 PolarHBondContact OG1-N 3.37Å; T335-D337 PolarHBondContact OG1-OD2 3.31Å; D337-F339 HydrophobicContact CB-CE2 3.94Å; D337-F339 HydrophobicContact CB-CZ 4Å; D337-F339 WeakPolarHBondContact O-CE2 3.29Å; D337-H438 IonicContact OD2-CD2 3.36Å; D337-H438 IonicContact OD2-CE1 3.26Å; D337-H438 IonicContact OD2-NE2 3.01Å; D337-H438 PolarHBondContact OD2-NE2 3.27Å; D337-R442 WeakPolarHBondContact OD2-CD 3.39Å; D337-R442 IonicContact OD2-CZ 2.69Å; D337-R442 IonicContact OD2-NE 3.63Å; D337-R442 IonicContact OD2-NH1 2.87Å
338	S	94	Very high	81.8	Confident	63 Å²	63	60.7 Å²	60.7	44%	0.441	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.5	174.4	-62.2	0	0	0	0	110.7	S300 Y301 L302	S300-S338 WeakPolarHBondContact O-CB 3.48Å; Y301-S338 CarbonylContact C-O 3.53Å; Y301-S338 VanDerWaalsContact CA-O 3.31Å; Y301-S338 WeakPolarHBondContact CA-O 3.34Å; L302-S338 PolarHBondContact N-O 2.83Å
339	F	94.3	Very high	79.9	Confident	22 Å²	22	56.3 Å²	56.3	10%	0.096	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.3	-178.8	-61	-86.1	0	0	0	110.3	L302 L303 M330 L331 D337 F341 H438	L302-F339 HydrophobicContact CB-CE1 4.4Å; L302-F339 HydrophobicContact CD2-CE1 4.14Å; L302-F339 HydrophobicContact CD2-CZ 4.17Å; L303-F339 HydrophobicContact CB-CD1 3.95Å; L303-F339 HydrophobicContact CB-CE1 4.2Å; L303-F339 WeakPolarHBondContact O-CA 3.46Å; M330-F339 HydrophobicContact CB-CD1 4.47Å; M330-F339 HydrophobicContact CB-CD2 4.37Å; M330-F339 HydrophobicContact CB-CE1 4.17Å; M330-F339 HydrophobicContact CB-CE2 4.07Å; M330-F339 HydrophobicContact CB-CZ 3.96Å; M330-F339 WeakPolarHBondContact O-CE2 3.4Å; M330-F339 HydrophobicContact SD-CE1 4.24Å; L331-F339 HydrophobicContact CD2-CB 3.88Å; D337-F339 HydrophobicContact CB-CE2 3.94Å; D337-F339 HydrophobicContact CB-CZ 4Å; D337-F339 WeakPolarHBondContact O-CE2 3.29Å; F339-F341 HydrophobicContact CB-CD1 4.37Å; F339-F341 HydrophobicContact CB-CD2 4.36Å; F339-F341 HydrophobicContact CB-CE1 3.85Å; F339-F341 HydrophobicContact CB-CE2 3.83Å; F339-F341 HydrophobicContact CB-CZ 3.56Å; F339-F341 HydrophobicContact CD1-CE1 4.1Å; F339-F341 HydrophobicContact CD1-CE2 4.37Å; F339-F341 AromaticContact CD1-CZ 3.56Å; F339-F341 HydrophobicContact CD1-CZ 3.56Å; F339-F341 HydrophobicContact CG-CE1 4.39Å; F339-F341 HydrophobicContact CG-CE2 4.21Å; F339-F341 AromaticContact CG-CZ 3.79Å; F339-F341 HydrophobicContact CG-CZ 3.79Å; F339-H438 AromaticContact CZ-CD2 3.97Å; F339-H438 AromaticContact CZ-CE1 3.91Å; F339-H438 AromaticContact CZ-NE2 3.72Å
340	Y	92.1	Very high	77.6	Confident	83 Å²	83	56.6 Å²	56.6	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109	174.3	-175.4	-83	0	0	0	110.6	Y301 L303 S304 V305 F306 A342 V369	Y301-Y340 HydrophobicContact CE1-CD2 4.44Å; Y301-Y340 HydrophobicContact CE2-CD2 4.41Å; L303-Y340 PolarHBondContact O-N 2.99Å; L303-Y340 VanDerWaalsContact O-N 3.09Å; S304-Y340 CarbonylContact C-O 3.52Å; S304-Y340 WeakPolarHBondContact CA-O 3.39Å; V305-Y340 PolarHBondContact N-O 3.32Å; F306-Y340 HydrophobicContact CE1-CD1 4.4Å; F306-Y340 HydrophobicContact CE1-CE1 4.07Å; Y340-A342 HydrophobicContact CE1-CB 3.89Å; Y340-V369 HydrophobicContact CD1-CB 4.34Å; Y340-V369 HydrophobicContact CD1-CG1 3.47Å; Y340-V369 VanDerWaalsContact CD1-CG1 3.47Å; Y340-V369 HydrophobicContact CD1-CG2 3.91Å; Y340-V369 HydrophobicContact CD2-CG1 4.39Å; Y340-V369 HydrophobicContact CD2-CG2 4.05Å; Y340-V369 HydrophobicContact CE1-CB 4.41Å; Y340-V369 HydrophobicContact CE1-CG1 3.99Å; Y340-V369 HydrophobicContact CE1-CG2 3.64Å; Y340-V369 HydrophobicContact CE2-CG2 3.78Å; Y340-V369 HydrophobicContact CG-CG1 3.7Å; Y340-V369 HydrophobicContact CG-CG2 4.11Å
341	F	90.5	Very high	75.1	Confident	37 Å²	37	65.7 Å²	65.7	16%	0.162	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	104	-170.1	-75.8	-5.5	0	0	0	109.8	L303 V305 L308 L327 M330 L331 F339	L303-F341 HydrophobicContact CD2-CE1 4.26Å; L303-F341 HydrophobicContact CD2-CZ 4.45Å; L303-F341 HydrophobicContact CG-CE1 4.35Å; V305-F341 HydrophobicContact CB-CD1 3.67Å; V305-F341 HydrophobicContact CB-CE1 4.11Å; V305-F341 HydrophobicContact CG2-CD1 3.52Å; V305-F341 HydrophobicContact CG2-CE1 3.4Å; V305-F341 VanDerWaalsContact CG2-CE1 3.4Å; V305-F341 HydrophobicContact CG2-CZ 4.39Å; L308-F341 HydrophobicContact CD1-CB 3.37Å; L308-F341 HydrophobicContact CD1-CG 3.9Å; L327-F341 HydrophobicContact CB-CE2 4.24Å; L327-F341 HydrophobicContact CD2-CZ 4.27Å; L327-F341 WeakPolarHBondContact O-CE2 3.46Å; M330-F341 HydrophobicContact CB-CE2 4.38Å; L331-F341 HydrophobicContact CD1-CD2 3.69Å; L331-F341 HydrophobicContact CD1-CE2 4.39Å; L331-F341 HydrophobicContact CD2-CD2 3.8Å; L331-F341 HydrophobicContact CD2-CE2 4.1Å; L331-F341 HydrophobicContact CG-CD2 3.54Å; L331-F341 HydrophobicContact CG-CE2 3.79Å; F339-F341 HydrophobicContact CB-CD1 4.37Å; F339-F341 HydrophobicContact CB-CD2 4.36Å; F339-F341 HydrophobicContact CB-CE1 3.85Å; F339-F341 HydrophobicContact CB-CE2 3.83Å; F339-F341 HydrophobicContact CB-CZ 3.56Å; F339-F341 HydrophobicContact CD1-CE1 4.1Å; F339-F341 HydrophobicContact CD1-CE2 4.37Å; F339-F341 AromaticContact CD1-CZ 3.56Å; F339-F341 HydrophobicContact CD1-CZ 3.56Å; F339-F341 HydrophobicContact CG-CE1 4.39Å; F339-F341 HydrophobicContact CG-CE2 4.21Å; F339-F341 AromaticContact CG-CZ 3.79Å; F339-F341 HydrophobicContact CG-CZ 3.79Å
342	A	84.9	Confident	72.7	Confident	9 Å²	9	71.4 Å²	71.4	7%	0.074	38%	0.376	C	S	.	.			trans	-100.1	131.5	-179.7	0	0	0	0	0	111.6	V305 F306 N307 L308 Y340 C345	V305-A342 PolarHBondContact O-N 3.12Å; F306-A342 HydrophobicContact CD1-CB 4.37Å; N307-A342 PolarHBondContact N-O 3.33Å; L308-A342 PolarHBondContact N-O 3.46Å; Y340-A342 HydrophobicContact CE1-CB 3.89Å; A342-C345 HydrophobicContact CB-CB 4.12Å
343	S	73.2	Confident	70.4	Confident	67 Å²	67	74 Å²	74	47%	0.469	38%	0.381	S	S	.	.	S	Bend	trans	-72.7	-46.5	-179.3	43.7	0	0	0	0	113.7	N307 L308 Q309	N307-S343 CarbonylContact C-O 3.17Å; N307-S343 WeakPolarHBondContact CA-O 3.43Å; L308-S343 PolarHBondContact N-O 3.07Å; L308-S343 VanDerWaalsContact N-O 3.11Å; Q309-S343 VanDerWaalsContact CB-O 3.32Å; Q309-S343 WeakPolarHBondContact CB-O 3.31Å; Q309-S343 PolarHBondContact N-O 3.14Å
344	N	65.3	Low	68.1	Low	26 Å²	26	76.9 Å²	76.9	14%	0.139	39%	0.393	C	S	.	.	S	Bend	trans	-125.1	56.6	-167.8	-71.5	-9	0	0	0	114.4	Q309 P358 C359	Q309-N344 WeakPolarHBondContact CB-OD1 3.4Å; Q309-N344 VanDerWaalsContact CD-OD1 3.28Å; Q309-N344 VanDerWaalsContact OE1-CG 3.29Å; Q309-N344 PolarHBondContact OE1-ND2 3.2Å; Q309-N344 PolarHBondContact OE1-OD1 3.2Å; N344-P358 HydrophobicContact CB-CG 3.78Å; N344-C359 WeakPolarHBondContact O-CB 3.43Å; N344-C359 PolarHBondContact O-N 2.9Å; N344-C359 VanDerWaalsContact O-N 3.1Å
345	C	62.7	Low	66.1	Low	7 Å²	7	70.6 Å²	70.6	5%	0.047	39%	0.389	C	S	.	.			trans	-122.8	106	-176.3	-169.6	0	0	0	0	111.6	F306 N307 A342 C359 V366	F306-C345 HydrophobicContact CB-CB 4.14Å; F306-C345 HydrophobicContact CD1-CB 4.06Å; N307-C345 WeakPolarHBondContact CB-O 3.45Å; N307-C345 PolarHBondContact N-O 3.3Å; A342-C345 HydrophobicContact CB-CB 4.12Å; C345-C359 HydrophobicContact CB-CB 3.6Å; C345-V366 WeakPolarHBondContact SG-CG2 3.47Å
346	S	60.1	Low	63.7	Low	16 Å²	16	76 Å²	76	11%	0.112	41%	0.411	C	S	.	.			trans	-102.5	143.6	172.6	-177	0	0	0	0	110.3	S348 I360	S346-S348 VanDerWaalsContact C-N 3.28Å; S346-S348 PolarHBondContact O-N 3.12Å; S346-S348 PolarHBondContact OG-N 3.36Å; S346-S348 PolarHBondContact OG-OG 3.38Å; S346-I360 WeakPolarHBondContact O-CD1 3.4Å
347	L	59.3	Low	61.4	Low	22 Å²	22	74.3 Å²	74.3	12%	0.115	39%	0.393	C	S	.	.			trans	-90.7	18.1	174.3	-81.6	167	0	0	0	113.1	L363 V366 H394	L347-L363 HydrophobicContact CD2-CD1 4.03Å; L347-V366 HydrophobicContact CD1-CG1 4.39Å; L347-V366 HydrophobicContact CD2-CB 4.26Å; L347-V366 HydrophobicContact CD2-CG1 3.82Å; L347-V366 HydrophobicContact CD2-CG2 4.26Å; L347-V366 HydrophobicContact CG-CG1 4.41Å; L347-H394 HydrophobicContact CD1-CB 3.62Å
348	S	55.2	Low	59.1	Low	36 Å²	36	77.1 Å²	77.1	25%	0.252	41%	0.413	S	S	.	.			trans	-78.6	127.2	-177.6	66.9	0	0	0	0	112.2	S346 N390	S346-S348 VanDerWaalsContact C-N 3.28Å; S346-S348 PolarHBondContact O-N 3.12Å; S346-S348 PolarHBondContact OG-N 3.36Å; S346-S348 PolarHBondContact OG-OG 3.38Å; S348-N390 VanDerWaalsContact CA-OD1 3.24Å; S348-N390 WeakPolarHBondContact CA-OD1 3.41Å; S348-N390 WeakPolarHBondContact CB-OD1 3.23Å
349	V	49.8	Very low	56.7	Low	39 Å²	39	76.3 Å²	76.3	24%	0.236	41%	0.407	C	S	.	.	S	Bend	trans	-75	-33.3	171.4	179.6	0	0	0	0	111.8	Q278 Y279 E282 Y283 R351	Q278-V349 HydrophobicContact CG-CG1 4.44Å; Y279-V349 HydrophobicContact CD2-CG2 4.05Å; E282-V349 WeakPolarHBondContact OE1-CG1 3.41Å; E282-V349 WeakPolarHBondContact OE2-CG1 3.45Å; Y283-V349 HydrophobicContact CD2-CG2 4.1Å; Y283-V349 HydrophobicContact CE2-CG1 4.28Å; Y283-V349 HydrophobicContact CE2-CG2 3.64Å; V349-R351 PolarHBondContact O-N 2.78Å; V349-R351 VanDerWaalsContact O-N 3.17Å
350	A	42.4	Very low	54.3	Low	65 Å²	65	78.9 Å²	78.9	54%	0.537	42%	0.421	S	S	.	.	S	Bend	trans	-89.1	29.6	-162.2	0	0	0	0	0	116.8
351	R	40.6	Very low	52.1	Low	200 Å²	200	81.7 Å²	81.7	76%	0.755	44%	0.442	S	S	*	.			trans	-131.4	92.2	168	-72	-170.1	-174.5	167.2	2.7	111.9	V349 I353	V349-R351 PolarHBondContact O-N 2.78Å; V349-R351 VanDerWaalsContact O-N 3.17Å; R351-I353 PolarHBondContact O-N 3.09Å
352	K	38.8	Very low	50.7	Low	218 Å²	218	86.1 Å²	86.1	95%	0.948	46%	0.463	S	S	*	.	S	Bend	trans	-70.4	5	150.1	-91.3	-175.4	176.5	176.1	0	113
353	I	38	Very low	49.9	Very low	152 Å²	152	87.6 Å²	87.6	78%	0.779	47%	0.469	S	S	*	.	S	Bend	trans	-121.5	69.4	-177.9	-45.2	173.7	0	0	0	108.4	R351	R351-I353 PolarHBondContact O-N 3.09Å
354	D	35	Very low	49.9	Very low	96 Å²	96	88.4 Å²	88.4	51%	0.513	47%	0.468	S	S	.	.			trans	179.3	108.3	132.5	-162.5	-11.1	0	0	0	108.7	Q356	D354-Q356 PolarHBondContact O-N 3.28Å; D354-Q356 VanDerWaalsContact O-N 3.15Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.46Å; D354-Q356 PolarHBondContact OD1-N 2.96Å
355	S	40.7	Very low	50.7	Low	129 Å²	129	91.5 Å²	91.5	90%	0.902	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	4.5	175.4	50.7	0	0	0	0	113.6
356	Q	38.7	Very low	51.7	Low	160 Å²	160	91.6 Å²	91.6	75%	0.748	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	15.6	-177.4	-62	-169.6	-3.7	0	0	115.4	D354 P358	D354-Q356 PolarHBondContact O-N 3.28Å; D354-Q356 VanDerWaalsContact O-N 3.15Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.46Å; D354-Q356 PolarHBondContact OD1-N 2.96Å; Q356-P358 VanDerWaalsContact O-CD 3.24Å; Q356-P358 WeakPolarHBondContact O-CD 3.4Å
357	L	41.2	Very low	53	Low	77 Å²	77	91.5 Å²	91.5	40%	0.403	48%	0.484	S	S	.	.			trans	-97.5	102	169.8	-128.3	80.9	0	0	0	111.2	C359	L357-C359 PolarHBondContact O-N 2.84Å
358	P	43.8	Very low	54.5	Low	96 Å²	96	94.3 Å²	94.3	62%	0.623	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	0.4	-162.5	25.9	-34.6	0	0	0	118.7	N344 Q356	N344-P358 HydrophobicContact CB-CG 3.78Å; Q356-P358 VanDerWaalsContact O-CD 3.24Å; Q356-P358 WeakPolarHBondContact O-CD 3.4Å
359	C	45.2	Very low	56.3	Low	45 Å²	45	93.1 Å²	93.1	30%	0.304	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	23.4	175.7	-56.1	0	0	0	0	115.7	N344 C345 L357	N344-C359 WeakPolarHBondContact O-CB 3.43Å; N344-C359 PolarHBondContact O-N 2.9Å; N344-C359 VanDerWaalsContact O-N 3.1Å; C345-C359 HydrophobicContact CB-CB 3.6Å; L357-C359 PolarHBondContact O-N 2.84Å
360	I	44	Very low	58.4	Low	76 Å²	76	91.3 Å²	91.3	39%	0.39	48%	0.479	S	S	.	.			trans	-124.6	74.7	167.4	-46	173.7	0	0	0	110.2	S346	S346-I360 WeakPolarHBondContact O-CD1 3.4Å
361	N	44.8	Very low	60.8	Low	143 Å²	143	90.9 Å²	90.9	77%	0.765	47%	0.465	S	S	*	.	S	Bend	trans	-98.3	91.4	135	-80.6	-27.4	0	0	0	106.5
362	Q	61.1	Low	63.5	Low	130 Å²	130	85 Å²	85	61%	0.607	45%	0.449	S	S	*	.			trans	82.1	121	166.9	-48.9	-178.6	3.1	0	0	117.2	N364 D365	Q362-N364 HydrophobicContact CB-CB 4.13Å; Q362-N364 PolarHBondContact O-N 3.09Å; Q362-N364 PolarHBondContact OE1-ND2 3.08Å; Q362-D365 PolarHBondContact O-N 2.83Å
363	L	67.9	Low	66.3	Low	39 Å²	39	74.6 Å²	74.6	20%	0.204	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-33.9	-31.4	162.9	-178.4	67.8	0	0	0	114.3	Y283 L347 D365 V366 V367	Y283-L363 HydrophobicContact CD1-CD2 3.28Å; Y283-L363 HydrophobicContact CD2-CD2 4.37Å; Y283-L363 HydrophobicContact CE1-CD2 3.47Å; Y283-L363 VanDerWaalsContact CE1-CD2 3.47Å; Y283-L363 HydrophobicContact CG-CD2 3.76Å; L347-L363 HydrophobicContact CD2-CD1 4.03Å; L363-D365 VanDerWaalsContact C-N 3.27Å; L363-D365 PolarHBondContact O-N 2.92Å; L363-V366 PolarHBondContact O-N 2.95Å; L363-V367 HydrophobicContact CG-CG2 4.17Å; L363-V367 VanDerWaalsContact O-CG2 3.26Å; L363-V367 WeakPolarHBondContact O-CG2 3.48Å; L363-V367 PolarHBondContact O-N 3.03Å
364	N	74.5	Confident	69.1	Low	85 Å²	85	67.5 Å²	67.5	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-49.2	-39	175.1	-66.4	-26.1	0	0	0	114.4	Q362 V367 N368	Q362-N364 HydrophobicContact CB-CB 4.13Å; Q362-N364 PolarHBondContact O-N 3.09Å; Q362-N364 PolarHBondContact OE1-ND2 3.08Å; N364-V367 WeakPolarHBondContact O-CB 3.34Å; N364-V367 PolarHBondContact O-N 3.43Å; N364-N368 WeakPolarHBondContact O-CB 3.2Å; N364-N368 PolarHBondContact O-N 3.34Å; N364-N368 PolarHBondContact O-ND2 2.75Å; N364-N368 VanDerWaalsContact O-ND2 3.14Å
365	D	80.3	Confident	72.2	Confident	91 Å²	91	63 Å²	63	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.6	-76.7	-13.4	0	0	0	111.8	Q362 L363 V367 N368 V369	Q362-D365 PolarHBondContact O-N 2.83Å; L363-D365 VanDerWaalsContact C-N 3.27Å; L363-D365 PolarHBondContact O-N 2.92Å; D365-V367 VanDerWaalsContact C-N 3.31Å; D365-V367 PolarHBondContact O-N 2.96Å; D365-N368 PolarHBondContact O-N 3.05Å; D365-V369 WeakPolarHBondContact O-CG2 3.46Å; D365-V369 PolarHBondContact O-N 3.15Å
366	V	84.1	Confident	74.8	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175	178.8	0	0	0	0	110.2	F306 C345 L347 L363 N368 V369 L370	F306-V366 HydrophobicContact CD1-CG2 4.36Å; F306-V366 HydrophobicContact CE1-CB 4.34Å; F306-V366 HydrophobicContact CE1-CG1 3.97Å; F306-V366 HydrophobicContact CE1-CG2 4.09Å; F306-V366 HydrophobicContact CE2-CG1 4.07Å; F306-V366 HydrophobicContact CZ-CB 4.46Å; F306-V366 HydrophobicContact CZ-CG1 3.7Å; C345-V366 WeakPolarHBondContact SG-CG2 3.47Å; L347-V366 HydrophobicContact CD1-CG1 4.39Å; L347-V366 HydrophobicContact CD2-CB 4.26Å; L347-V366 HydrophobicContact CD2-CG1 3.82Å; L347-V366 HydrophobicContact CD2-CG2 4.26Å; L347-V366 HydrophobicContact CG-CG1 4.41Å; L363-V366 PolarHBondContact O-N 2.95Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 2.93Å; V366-V369 PolarHBondContact O-N 3.4Å; V366-L370 HydrophobicContact CG1-CD1 3.9Å; V366-L370 HydrophobicContact CG1-CG 4.16Å; V366-L370 WeakPolarHBondContact O-CB 3.12Å; V366-L370 VanDerWaalsContact O-CG 3.32Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 2.92Å
367	V	88	Confident	77.6	Confident	14 Å²	14	49.2 Å²	49.2	9%	0.085	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-46.8	175.2	169.7	0	0	0	0	111.2	L363 N364 D365 V369 L370 K371 F401	L363-V367 HydrophobicContact CG-CG2 4.17Å; L363-V367 VanDerWaalsContact O-CG2 3.26Å; L363-V367 WeakPolarHBondContact O-CG2 3.48Å; L363-V367 PolarHBondContact O-N 3.03Å; N364-V367 WeakPolarHBondContact O-CB 3.34Å; N364-V367 PolarHBondContact O-N 3.43Å; D365-V367 VanDerWaalsContact C-N 3.31Å; D365-V367 PolarHBondContact O-N 2.96Å; V367-V369 PolarHBondContact O-N 3.09Å; V367-L370 PolarHBondContact O-N 3Å; V367-K371 HydrophobicContact CG1-CD 4.04Å; V367-K371 HydrophobicContact CG1-CG 4.43Å; V367-K371 WeakPolarHBondContact O-CB 3.36Å; V367-K371 VanDerWaalsContact O-CG 3.25Å; V367-K371 WeakPolarHBondContact O-CG 3.28Å; V367-K371 PolarHBondContact O-N 3.14Å; V367-F401 HydrophobicContact CB-CE2 4.08Å; V367-F401 HydrophobicContact CB-CZ 4.1Å; V367-F401 HydrophobicContact CG1-CD1 4.22Å; V367-F401 HydrophobicContact CG1-CD2 4.4Å; V367-F401 HydrophobicContact CG1-CE1 3.61Å; V367-F401 HydrophobicContact CG1-CE2 3.77Å; V367-F401 HydrophobicContact CG1-CZ 3.35Å; V367-F401 HydrophobicContact CG2-CE2 3.61Å; V367-F401 HydrophobicContact CG2-CZ 3.75Å
368	N	90.2	Very high	80.1	Confident	80 Å²	80	45.6 Å²	45.6	43%	0.428	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-38.9	179.9	-72.4	-28.1	0	0	0	112.5	N364 D365 V366 N372	N364-N368 WeakPolarHBondContact O-CB 3.2Å; N364-N368 PolarHBondContact O-N 3.34Å; N364-N368 PolarHBondContact O-ND2 2.75Å; N364-N368 VanDerWaalsContact O-ND2 3.14Å; D365-N368 PolarHBondContact O-N 3.05Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 2.93Å; N368-N372 PolarHBondContact O-N 2.87Å; N368-N372 PolarHBondContact O-ND2 3.16Å
369	V	92.6	Very high	82.4	Confident	12 Å²	12	41.9 Å²	41.9	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-46.7	174.8	172.9	0	0	0	0	110.8	F306 Y340 D365 V366 V367 K371 N372 S373	F306-V369 HydrophobicContact CE1-CB 4.26Å; F306-V369 HydrophobicContact CE1-CG1 4.1Å; F306-V369 HydrophobicContact CZ-CB 3.93Å; F306-V369 HydrophobicContact CZ-CG1 3.61Å; Y340-V369 HydrophobicContact CD1-CB 4.34Å; Y340-V369 HydrophobicContact CD1-CG1 3.47Å; Y340-V369 VanDerWaalsContact CD1-CG1 3.47Å; Y340-V369 HydrophobicContact CD1-CG2 3.91Å; Y340-V369 HydrophobicContact CD2-CG1 4.39Å; Y340-V369 HydrophobicContact CD2-CG2 4.05Å; Y340-V369 HydrophobicContact CE1-CB 4.41Å; Y340-V369 HydrophobicContact CE1-CG1 3.99Å; Y340-V369 HydrophobicContact CE1-CG2 3.64Å; Y340-V369 HydrophobicContact CE2-CG2 3.78Å; Y340-V369 HydrophobicContact CG-CG1 3.7Å; Y340-V369 HydrophobicContact CG-CG2 4.11Å; D365-V369 WeakPolarHBondContact O-CG2 3.46Å; D365-V369 PolarHBondContact O-N 3.15Å; V366-V369 PolarHBondContact O-N 3.4Å; V367-V369 PolarHBondContact O-N 3.09Å; V369-K371 VanDerWaalsContact C-N 3.35Å; V369-K371 PolarHBondContact O-N 2.87Å; V369-N372 CarbonylContact O-C 3.55Å; V369-N372 PolarHBondContact O-N 2.72Å; V369-S373 WeakPolarHBondContact O-CB 3.39Å; V369-S373 PolarHBondContact O-N 3.49Å; V369-S373 PolarHBondContact O-OG 3.48Å
370	L	94.3	Very high	84.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-40.7	179	-69.6	177.6	0	0	0	111.8	R299 F306 V366 V367 N372 S373 T376 E397 F401 A403	R299-L370 PolarHBondContact NH1-O 3.01Å; F306-L370 HydrophobicContact CE2-CD2 3.87Å; F306-L370 HydrophobicContact CE2-CG 4.33Å; F306-L370 HydrophobicContact CZ-CD2 4.34Å; F306-L370 HydrophobicContact CZ-CG 4.4Å; V366-L370 HydrophobicContact CG1-CD1 3.9Å; V366-L370 HydrophobicContact CG1-CG 4.16Å; V366-L370 WeakPolarHBondContact O-CB 3.12Å; V366-L370 VanDerWaalsContact O-CG 3.32Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 2.92Å; V367-L370 PolarHBondContact O-N 3Å; L370-N372 PolarHBondContact O-N 3.06Å; L370-S373 PolarHBondContact O-N 3.23Å; L370-S373 VanDerWaalsContact O-N 3.11Å; L370-T376 HydrophobicContact CD2-CG2 3.96Å; L370-E397 HydrophobicContact CD1-CB 3.81Å; L370-F401 HydrophobicContact CB-CB 4.17Å; L370-F401 HydrophobicContact CB-CD2 4.35Å; L370-F401 HydrophobicContact CD1-CD2 4.27Å; L370-A403 HydrophobicContact CB-CB 4.3Å; L370-A403 HydrophobicContact CD2-CB 3.83Å
371	K	94.3	Very high	86.3	Confident	56 Å²	56	37 Å²	37	24%	0.243	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-32.5	173.2	-76.8	174.8	175.4	-178.7	0	112.9	Q290 P292 R299 V367 V369 F401	Q290-K371 PolarHBondContact O-NZ 2.78Å; P292-K371 HydrophobicContact CB-CG 4.31Å; P292-K371 HydrophobicContact CG-CB 4.41Å; P292-K371 HydrophobicContact CG-CG 3.93Å; R299-K371 WeakPolarHBondContact CD-O 3.46Å; R299-K371 VanDerWaalsContact CZ-O 3.25Å; R299-K371 PolarHBondContact NE-O 2.98Å; R299-K371 PolarHBondContact NH1-O 3.12Å; R299-K371 VanDerWaalsContact NH1-O 3.08Å; V367-K371 HydrophobicContact CG1-CD 4.04Å; V367-K371 HydrophobicContact CG1-CG 4.43Å; V367-K371 WeakPolarHBondContact O-CB 3.36Å; V367-K371 VanDerWaalsContact O-CG 3.25Å; V367-K371 WeakPolarHBondContact O-CG 3.28Å; V367-K371 PolarHBondContact O-N 3.14Å; V369-K371 VanDerWaalsContact C-N 3.35Å; V369-K371 PolarHBondContact O-N 2.87Å; K371-F401 HydrophobicContact CD-CD1 4.46Å; K371-F401 HydrophobicContact CG-CB 4.44Å; K371-F401 HydrophobicContact CG-CD1 3.85Å; K371-F401 HydrophobicContact CG-CG 4.29Å
372	N	95.8	Very high	88.2	Confident	77 Å²	77	32.1 Å²	32.1	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	2.3	-179.2	-68.5	-37.7	0	0	0	114	R299 S300 Y301 N368 V369 L370	R299-N372 VanDerWaalsContact CB-O 3.28Å; R299-N372 WeakPolarHBondContact CB-O 3.25Å; S300-N372 PolarHBondContact N-O 2.73Å; Y301-N372 HydrophobicContact CD2-CB 3.93Å; Y301-N372 HydrophobicContact CE2-CB 4.06Å; Y301-N372 PolarHBondContact N-O 3.49Å; N368-N372 PolarHBondContact O-N 2.87Å; N368-N372 PolarHBondContact O-ND2 3.16Å; V369-N372 CarbonylContact O-C 3.55Å; V369-N372 PolarHBondContact O-N 2.72Å; L370-N372 PolarHBondContact O-N 3.06Å
373	S	97.3	Very high	89.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.3	-178	-62.6	0	0	0	0	112.2	R299 Y301 S304 V369 L370	R299-S373 VanDerWaalsContact CD-O 3.28Å; R299-S373 WeakPolarHBondContact CD-O 3.42Å; R299-S373 PolarHBondContact NH1-O 3.38Å; Y301-S373 CarbonylContact O-C 3.44Å; S304-S373 VanDerWaalsContact CB-OG 3.25Å; S304-S373 WeakPolarHBondContact CB-OG 3.32Å; S304-S373 WeakPolarHBondContact OG-CB 3.42Å; S304-S373 PolarHBondContact OG-OG 3.49Å; V369-S373 WeakPolarHBondContact O-CB 3.39Å; V369-S373 PolarHBondContact O-N 3.49Å; V369-S373 PolarHBondContact O-OG 3.48Å; L370-S373 PolarHBondContact O-N 3.23Å; L370-S373 VanDerWaalsContact O-N 3.11Å
374	T	98.2	Very high	90	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-50.8	172.9	-54.7	0	0	0	0	110.5	R299 Y301 L302 I404 I449 R453	R299-T374 PolarHBondContact N-OG1 2.75Å; Y301-T374 PolarHBondContact O-N 2.88Å; Y301-T374 PolarHBondContact O-OG1 2.71Å; L302-T374 WeakPolarHBondContact O-CB 3.34Å; T374-I404 PolarHBondContact O-N 3.5Å; T374-I449 HydrophobicContact CG2-CD1 4.5Å; T374-I449 HydrophobicContact CG2-CG2 4.25Å; T374-R453 VanDerWaalsContact CG2-NH2 3.35Å
375	F	98.5	Very high	90.6	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.2	177.4	-58.7	-76.4	0	0	0	110.3	L302 L303 S304 I404 V406 I427 L441 L444 I449	L302-F375 HydrophobicContact CD1-CD2 3.92Å; L302-F375 HydrophobicContact CD1-CE2 3.94Å; L302-F375 WeakPolarHBondContact O-CB 3.3Å; L302-F375 VanDerWaalsContact O-CD2 3.29Å; L302-F375 WeakPolarHBondContact O-CD2 3.3Å; L302-F375 PolarHBondContact O-N 3.1Å; L303-F375 WeakPolarHBondContact CA-O 3.32Å; L303-F375 HydrophobicContact CD1-CB 3.83Å; S304-F375 PolarHBondContact N-O 2.96Å; S304-F375 PolarHBondContact OG-O 3.39Å; F375-I404 CarbonylContact C-O 3.53Å; F375-I404 VanDerWaalsContact CA-O 3.27Å; F375-I404 WeakPolarHBondContact CA-O 3.43Å; F375-I404 HydrophobicContact CD1-CB 3.63Å; F375-I404 HydrophobicContact CD1-CD1 4.24Å; F375-I404 HydrophobicContact CD1-CG2 3.89Å; F375-I404 HydrophobicContact CE1-CB 3.93Å; F375-I404 HydrophobicContact CE1-CD1 3.7Å; F375-I404 HydrophobicContact CE1-CG1 4.43Å; F375-I404 HydrophobicContact CE1-CG2 4.02Å; F375-I404 HydrophobicContact CZ-CD1 4.42Å; F375-V406 HydrophobicContact CB-CG2 3.79Å; F375-V406 HydrophobicContact CD1-CG2 3.99Å; F375-V406 HydrophobicContact CG-CG2 4.19Å; F375-I427 HydrophobicContact CD1-CD1 3.79Å; F375-I427 HydrophobicContact CE1-CD1 3.39Å; F375-I427 HydrophobicContact CZ-CD1 4.27Å; F375-L441 HydrophobicContact CB-CD1 4.19Å; F375-L441 HydrophobicContact CB-CD2 4.44Å; F375-L441 HydrophobicContact CD1-CD2 3.93Å; F375-L441 HydrophobicContact CD2-CB 4.05Å; F375-L441 HydrophobicContact CD2-CD1 3.96Å; F375-L441 HydrophobicContact CD2-CD2 3.96Å; F375-L441 HydrophobicContact CD2-CG 4.2Å; F375-L441 HydrophobicContact CE1-CD2 4.2Å; F375-L441 HydrophobicContact CE2-CB 3.98Å; F375-L441 HydrophobicContact CE2-CD2 4.2Å; F375-L441 HydrophobicContact CE2-CG 4.49Å; F375-L441 HydrophobicContact CG-CD1 4.15Å; F375-L441 HydrophobicContact CG-CD2 3.84Å; F375-L441 HydrophobicContact CG-CG 4.46Å; F375-L441 HydrophobicContact CZ-CD2 4.33Å; F375-L444 HydrophobicContact CE1-CD1 3.97Å; F375-L444 HydrophobicContact CZ-CD1 3.79Å; F375-I449 HydrophobicContact CZ-CD1 4.19Å; F375-I449 HydrophobicContact CZ-CG1 4.07Å
376	T	97.1	Very high	91.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.4	170.7	-168.2	0	0	0	0	110.5	S304 L370 H394 A398 A403 I404 P405 V406	S304-T376 CarbonylContact O-C 3.59Å; S304-T376 VanDerWaalsContact O-CA 3.31Å; S304-T376 WeakPolarHBondContact O-CA 3.42Å; S304-T376 PolarHBondContact O-OG1 2.62Å; S304-T376 WeakPolarHBondContact OG-CB 3.37Å; S304-T376 PolarHBondContact OG-OG1 3.34Å; L370-T376 HydrophobicContact CD2-CG2 3.96Å; T376-H394 PolarHBondContact OG1-NE2 3.43Å; T376-A398 HydrophobicContact CG2-CB 3.49Å; T376-A398 VanDerWaalsContact CG2-CB 3.49Å; T376-A403 HydrophobicContact CG2-CB 4.08Å; T376-I404 PolarHBondContact N-O 3.14Å; T376-P405 CarbonylContact O-C 3.5Å; T376-V406 PolarHBondContact O-N 3.1Å
377	L	96.3	Very high	91.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	-176.9	-169.1	74.7	0	0	0	110.8	L303 S304 V305 F311 L327 Y379 H394 V406 L408 L437	L303-L377 HydrophobicContact CD1-CB 4.26Å; S304-L377 PolarHBondContact O-N 3.41Å; V305-L377 HydrophobicContact CB-CB 4.41Å; V305-L377 HydrophobicContact CG1-CB 4.23Å; V305-L377 HydrophobicContact CG1-CD2 3.88Å; V305-L377 HydrophobicContact CG2-CB 3.72Å; V305-L377 HydrophobicContact CG2-CD2 3.93Å; V305-L377 HydrophobicContact CG2-CG 4.49Å; F311-L377 HydrophobicContact CZ-CD2 4.44Å; L327-L377 HydrophobicContact CD1-CD2 4.12Å; L377-Y379 HydrophobicContact CD2-CD1 4.13Å; L377-Y379 HydrophobicContact CG-CD1 4.22Å; L377-H394 PolarHBondContact O-CE1 2.63Å; L377-V406 WeakPolarHBondContact CA-O 3.25Å; L377-V406 HydrophobicContact CD1-CB 4.22Å; L377-V406 HydrophobicContact CD1-CG1 3.97Å; L377-L408 HydrophobicContact CD1-CB 4.08Å; L377-L408 HydrophobicContact CD2-CD2 4.35Å; L377-L437 HydrophobicContact CD1-CD2 4.33Å
378	V	94.8	Very high	91.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.4	173.5	-176.7	0	0	0	0	108.5	H394 I395 P405 V406 L407 L408	V378-H394 HydrophobicContact CG2-CB 4.43Å; V378-I395 HydrophobicContact CG1-CD1 4.39Å; V378-I395 HydrophobicContact CG1-CG1 4.03Å; V378-I395 HydrophobicContact CG2-CG1 4.31Å; V378-P405 HydrophobicContact CG2-CB 4.1Å; V378-V406 PolarHBondContact N-O 3.28Å; V378-L407 HydrophobicContact CB-CD2 3.92Å; V378-L407 HydrophobicContact CG1-CD2 4.27Å; V378-L407 HydrophobicContact CG2-CD2 4.37Å; V378-L407 WeakPolarHBondContact O-CA 3.35Å; V378-L408 PolarHBondContact O-N 3.03Å
379	Y	92.1	Very high	91.4	Very high	18 Å²	18	23 Å²	23	7%	0.071	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154.5	-176.1	61.7	-87.1	0	0	0	111.6	V305 F306 N307 R310 F311 L377 L381	V305-Y379 HydrophobicContact CG1-CE1 4.13Å; F306-Y379 WeakPolarHBondContact O-CE1 3.35Å; F306-Y379 PolarHBondContact O-OH 2.85Å; N307-Y379 WeakPolarHBondContact CB-OH 3.37Å; N307-Y379 PolarHBondContact O-OH 2.7Å; R310-Y379 HydrophobicContact CB-CE2 4.43Å; F311-Y379 HydrophobicContact CD2-CE2 4.45Å; F311-Y379 HydrophobicContact CE1-CD2 4.07Å; F311-Y379 HydrophobicContact CE1-CE2 4.18Å; F311-Y379 HydrophobicContact CE1-CG 4.42Å; F311-Y379 HydrophobicContact CE2-CD1 4.2Å; F311-Y379 HydrophobicContact CE2-CD2 4.23Å; F311-Y379 AromaticContact CE2-CE1 3.69Å; F311-Y379 HydrophobicContact CE2-CE1 3.69Å; F311-Y379 AromaticContact CE2-CE2 3.7Å; F311-Y379 HydrophobicContact CE2-CE2 3.7Å; F311-Y379 HydrophobicContact CE2-CG 4.45Å; F311-Y379 AromaticContact CE2-CZ 3.41Å; F311-Y379 VanDerWaalsContact CE2-CZ 3.41Å; F311-Y379 AromaticContact CZ-CD1 3.78Å; F311-Y379 HydrophobicContact CZ-CD1 3.78Å; F311-Y379 AromaticContact CZ-CD2 3.59Å; F311-Y379 HydrophobicContact CZ-CD2 3.59Å; F311-Y379 AromaticContact CZ-CE1 3.75Å; F311-Y379 HydrophobicContact CZ-CE1 3.75Å; F311-Y379 AromaticContact CZ-CE2 3.54Å; F311-Y379 HydrophobicContact CZ-CE2 3.54Å; F311-Y379 AromaticContact CZ-CG 3.7Å; F311-Y379 HydrophobicContact CZ-CG 3.7Å; F311-Y379 AromaticContact CZ-CZ 3.62Å; L377-Y379 HydrophobicContact CD2-CD1 4.13Å; L377-Y379 HydrophobicContact CG-CD1 4.22Å; Y379-L381 HydrophobicContact CD2-CD2 3.61Å; Y379-L381 HydrophobicContact CD2-CG 3.93Å; Y379-L381 HydrophobicContact CE2-CD1 4.42Å; Y379-L381 HydrophobicContact CE2-CD2 4.08Å; Y379-L381 HydrophobicContact CE2-CG 4.08Å
380	E	88.4	Confident	91.1	Very high	9 Å²	9	25 Å²	25	4%	0.042	12%	0.119	C	C	.	.			trans	-131.4	126.6	164.5	-177.4	49.8	-100.9	0	0	108.7	R310 D382 L385 T391 H411 L412	R310-E380 IonicContact CZ-OE1 3.55Å; R310-E380 IonicContact NH1-OE1 3.42Å; R310-E380 PolarHBondContact NH1-OE1 3.05Å; R310-E380 IonicContact NH1-OE2 3.5Å; R310-E380 PolarHBondContact NH1-OE2 2.89Å; R310-E380 IonicContact NH2-OE1 2.81Å; R310-E380 PolarHBondContact NH2-OE1 3.12Å; E380-D382 PolarHBondContact OE1-N 3.39Å; E380-L385 HydrophobicContact CG-CB 3.97Å; E380-L385 HydrophobicContact CG-CD1 4.48Å; E380-T391 HydrophobicContact CB-CG2 4.15Å; E380-H411 PolarHBondContact O-CE1 2.96Å; E380-H411 PolarHBondContact O-NE2 3.3Å; E380-H411 VanDerWaalsContact O-NE2 3.13Å; E380-L412 HydrophobicContact CB-CD2 3.51Å
381	L	82.6	Confident	90.9	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.047	12%	0.121	C	C	.	.	S	Bend	trans	-85.6	-25.7	-174	-58.9	-167.6	0	0	0	112.6	R310 F311 T315 M320 Y379 F383	R310-L381 HydrophobicContact CB-CD1 3.62Å; R310-L381 WeakPolarHBondContact O-CD1 3.35Å; F311-L381 HydrophobicContact CD1-CD1 4.42Å; F311-L381 HydrophobicContact CD1-CD2 3.98Å; F311-L381 HydrophobicContact CE1-CD2 3.68Å; F311-L381 HydrophobicContact CZ-CD2 4.45Å; T315-L381 HydrophobicContact CG2-CB 4.43Å; M320-L381 HydrophobicContact CE-CD2 3.31Å; M320-L381 HydrophobicContact SD-CD2 4.31Å; Y379-L381 HydrophobicContact CD2-CD2 3.61Å; Y379-L381 HydrophobicContact CD2-CG 3.93Å; Y379-L381 HydrophobicContact CE2-CD1 4.42Å; Y379-L381 HydrophobicContact CE2-CD2 4.08Å; Y379-L381 HydrophobicContact CE2-CG 4.08Å; L381-F383 WeakPolarHBondContact O-CD2 3.49Å; L381-F383 PolarHBondContact O-N 3.43Å
382	D	83.4	Confident	90.8	Very high	41 Å²	41	22.7 Å²	22.7	22%	0.219	11%	0.109	C	C	.	.			trans	-82.2	98.8	169.7	-167	-12	0	0	0	109.6	E380 R384 L385	E380-D382 PolarHBondContact OE1-N 3.39Å; D382-R384 PolarHBondContact O-N 3.12Å; D382-R384 WeakPolarHBondContact OD1-CB 3.43Å; D382-R384 WeakPolarHBondContact OD1-CG 3.1Å; D382-R384 IonicContact OD1-CZ 2.84Å; D382-R384 PolarHBondContact OD1-N 2.85Å; D382-R384 IonicContact OD1-NE 3.21Å; D382-R384 PolarHBondContact OD1-NE 3.13Å; D382-R384 IonicContact OD1-NH2 3.64Å; D382-R384 IonicContact OD2-CZ 3.54Å; D382-R384 IonicContact OD2-NE 3.49Å; D382-R384 PolarHBondContact OD2-NE 2.78Å; D382-R384 IonicContact OD2-NH2 2.74Å; D382-R384 PolarHBondContact OD2-NH2 3.06Å; D382-L385 HydrophobicContact CB-CB 4.45Å; D382-L385 HydrophobicContact CB-CD1 3.86Å; D382-L385 HydrophobicContact CB-CG 3.92Å; D382-L385 WeakPolarHBondContact O-CB 3.44Å; D382-L385 PolarHBondContact O-N 3.33Å
383	F	84.8	Confident	90.6	Very high	53 Å²	53	19.1 Å²	19.1	23%	0.232	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-9.7	176.7	-67	-86	0	0	0	113.9	Y317 F318 L381 L385 H411 V431	Y317-F383 HydrophobicContact CD2-CB 4.42Å; Y317-F383 AromaticContact CD2-CD2 3.97Å; Y317-F383 HydrophobicContact CD2-CD2 3.97Å; Y317-F383 HydrophobicContact CG-CD2 4.16Å; F318-F383 HydrophobicContact CB-CE2 4.5Å; L381-F383 WeakPolarHBondContact O-CD2 3.49Å; L381-F383 PolarHBondContact O-N 3.43Å; F383-L385 VanDerWaalsContact C-N 3.26Å; F383-H411 AromaticContact CD1-CE1 3.51Å; F383-H411 AromaticContact CD1-CG 4Å; F383-H411 AromaticContact CD1-ND1 3.61Å; F383-H411 AromaticContact CD1-NE2 3.84Å; F383-H411 AromaticContact CE1-CE1 3.62Å; F383-H411 AromaticContact CE1-ND1 3.86Å; F383-V431 HydrophobicContact CE1-CG2 4.09Å; F383-V431 HydrophobicContact CZ-CG2 4.02Å
384	R	83.6	Confident	90.4	Very high	146 Å²	146	19.9 Å²	19.9	55%	0.551	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.6	170.5	-53.8	170.9	-64.4	177	5.9	112.6	S263 S264 D382	S263-R384 CarbonylContact C-O 3.39Å; S263-R384 WeakPolarHBondContact CA-O 3.5Å; S263-R384 WeakPolarHBondContact CB-O 3.43Å; S264-R384 PolarHBondContact N-O 3.26Å; S264-R384 WeakPolarHBondContact OG-CA 3.48Å; S264-R384 PolarHBondContact OG-O 2.88Å; D382-R384 PolarHBondContact O-N 3.12Å; D382-R384 WeakPolarHBondContact OD1-CB 3.43Å; D382-R384 WeakPolarHBondContact OD1-CG 3.1Å; D382-R384 IonicContact OD1-CZ 2.84Å; D382-R384 PolarHBondContact OD1-N 2.85Å; D382-R384 IonicContact OD1-NE 3.21Å; D382-R384 PolarHBondContact OD1-NE 3.13Å; D382-R384 IonicContact OD1-NH2 3.64Å; D382-R384 IonicContact OD2-CZ 3.54Å; D382-R384 IonicContact OD2-NE 3.49Å; D382-R384 PolarHBondContact OD2-NE 2.78Å; D382-R384 IonicContact OD2-NH2 2.74Å; D382-R384 PolarHBondContact OD2-NH2 3.06Å
385	L	86.6	Confident	90.3	Very high	20 Å²	20	19.9 Å²	19.9	11%	0.105	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.5	177.4	-59.4	-179.7	0	0	0	109	W261 E380 D382 F383 T388 H411	W261-L385 HydrophobicContact CZ2-CD1 4.5Å; W261-L385 HydrophobicContact CZ2-CD2 4.45Å; E380-L385 HydrophobicContact CG-CB 3.97Å; E380-L385 HydrophobicContact CG-CD1 4.48Å; D382-L385 HydrophobicContact CB-CB 4.45Å; D382-L385 HydrophobicContact CB-CD1 3.86Å; D382-L385 HydrophobicContact CB-CG 3.92Å; D382-L385 WeakPolarHBondContact O-CB 3.44Å; D382-L385 PolarHBondContact O-N 3.33Å; F383-L385 VanDerWaalsContact C-N 3.26Å; L385-T388 HydrophobicContact CB-CG2 4.1Å; L385-T388 HydrophobicContact CD1-CG2 3.82Å; L385-H411 PolarHBondContact O-CD2 3.13Å; L385-H411 VanDerWaalsContact O-CD2 3.3Å
386	A	89.7	Confident	90.1	Very high	5 Å²	5	20.1 Å²	20.1	4%	0.041	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-32.4	176.8	0	0	0	0	0	111.6	F262 S263 L412 R413	F262-A386 HydrophobicContact CB-CB 4.49Å; F262-A386 PolarHBondContact O-N 2.72Å; S263-A386 VanDerWaalsContact O-CB 3.23Å; S263-A386 WeakPolarHBondContact O-CB 3.32Å; A386-L412 WeakPolarHBondContact O-CA 3.46Å; A386-R413 HydrophobicContact CB-CG 3.93Å; A386-R413 PolarHBondContact O-N 2.68Å
387	S	91.3	Very high	89.9	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.9	-178.4	-179.3	0	0	0	0	110.2	S260 W261 F262 Q392	S260-S387 CarbonylContact O-C 3.56Å; S260-S387 PolarHBondContact O-OG 3.36Å; W261-S387 WeakPolarHBondContact CA-O 3.22Å; F262-S387 PolarHBondContact N-O 3.06Å; F262-S387 PolarHBondContact O-N 2.9Å; S387-Q392 PolarHBondContact OG-NE2 3.27Å
388	T	88.7	Confident	89.9	Confident	4 Å²	4	20.1 Å²	20.1	3%	0.025	10%	0.095	C	C	.	.			trans	-135.3	154.9	172.1	71.2	0	0	0	0	110.8	S260 L385 N390 T391 Q392	S260-T388 CarbonylContact O-C 3.53Å; S260-T388 PolarHBondContact O-N 3.37Å; L385-T388 HydrophobicContact CB-CG2 4.1Å; L385-T388 HydrophobicContact CD1-CG2 3.82Å; T388-N390 PolarHBondContact O-N 3.15Å; T388-N390 VanDerWaalsContact O-N 3.15Å; T388-T391 PolarHBondContact N-OG1 2.87Å; T388-T391 VanDerWaalsContact N-OG1 3.09Å; T388-T391 PolarHBondContact O-N 2.5Å; T388-T391 VanDerWaalsContact O-N 3.08Å; T388-T391 PolarHBondContact O-OG1 2.83Å; T388-T391 WeakPolarHBondContact OG1-CG2 3.45Å; T388-T391 PolarHBondContact OG1-N 3.1Å; T388-T391 PolarHBondContact OG1-OG1 2.79Å; T388-Q392 WeakPolarHBondContact O-CG 3.17Å; T388-Q392 PolarHBondContact O-N 3.33Å
389	P	88.2	Confident	90	Very high	27 Å²	27	20.3 Å²	20.3	18%	0.175	10%	0.096	C	C	.	.	H	α-helix	trans	-52.5	-38.2	175.3	-27.1	33.9	0	0	0	112.4	W261 D276 Q392 N393	W261-P389 HydrophobicContact CE3-CG 3.76Å; W261-P389 HydrophobicContact CZ3-CG 4.39Å; D276-P389 HydrophobicContact CB-CB 4.38Å; P389-Q392 PolarHBondContact O-N 3.29Å; P389-N393 VanDerWaalsContact O-CB 3.29Å; P389-N393 WeakPolarHBondContact O-CB 3.41Å; P389-N393 PolarHBondContact O-N 2.99Å; P389-N393 PolarHBondContact O-ND2 2.68Å; P389-N393 PolarHBondContact O-OD1 3.32Å
390	N	86.2	Confident	90.1	Very high	56 Å²	56	20.9 Å²	20.9	30%	0.299	10%	0.099	S	C	.	.	H	α-helix	trans	-64	-45.3	178.3	-66.1	-16.3	0	0	0	112.7	S348 T388 H394	S348-N390 VanDerWaalsContact CA-OD1 3.24Å; S348-N390 WeakPolarHBondContact CA-OD1 3.41Å; S348-N390 WeakPolarHBondContact CB-OD1 3.23Å; T388-N390 PolarHBondContact O-N 3.15Å; T388-N390 VanDerWaalsContact O-N 3.15Å; N390-H394 WeakPolarHBondContact O-CB 3.32Å; N390-H394 PolarHBondContact O-N 2.76Å
391	T	90.4	Very high	90.4	Very high	7 Å²	7	21 Å²	21	4%	0.043	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-42.8	176.9	57.8	0	0	0	0	110.5	E380 T388 N393 H394 I395 L412	E380-T391 HydrophobicContact CB-CG2 4.15Å; T388-T391 PolarHBondContact N-OG1 2.87Å; T388-T391 VanDerWaalsContact N-OG1 3.09Å; T388-T391 PolarHBondContact O-N 2.5Å; T388-T391 VanDerWaalsContact O-N 3.08Å; T388-T391 PolarHBondContact O-OG1 2.83Å; T388-T391 WeakPolarHBondContact OG1-CG2 3.45Å; T388-T391 PolarHBondContact OG1-N 3.1Å; T388-T391 PolarHBondContact OG1-OG1 2.79Å; T391-N393 PolarHBondContact O-N 3.31Å; T391-H394 PolarHBondContact O-N 3.2Å; T391-I395 VanDerWaalsContact O-CD1 3.25Å; T391-I395 WeakPolarHBondContact O-CD1 3.43Å; T391-I395 WeakPolarHBondContact O-CG1 3.39Å; T391-I395 PolarHBondContact O-N 2.77Å; T391-L412 HydrophobicContact CG2-CD2 4.42Å
392	Q	92.8	Very high	91	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-44.5	178.4	-62.3	-42.5	-48.9	0	0	111.5	S387 T388 P389 H394 I395 V396 R413	S387-Q392 PolarHBondContact OG-NE2 3.27Å; T388-Q392 WeakPolarHBondContact O-CG 3.17Å; T388-Q392 PolarHBondContact O-N 3.33Å; P389-Q392 PolarHBondContact O-N 3.29Å; Q392-H394 PolarHBondContact O-N 2.94Å; Q392-I395 PolarHBondContact O-N 3.08Å; Q392-V396 VanDerWaalsContact O-CG2 3.22Å; Q392-V396 WeakPolarHBondContact O-CG2 3.49Å; Q392-V396 PolarHBondContact O-N 2.05Å; Q392-R413 PolarHBondContact NE2-O 3.33Å
393	N	92.3	Very high	91.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-42.4	178.4	-66.5	-11.5	0	0	0	111.9	D276 Y279 P389 T391 V396 E397	D276-N393 WeakPolarHBondContact CB-OD1 3.47Å; D276-N393 PolarHBondContact OD2-ND2 3.42Å; Y279-N393 VanDerWaalsContact CB-OD1 3.22Å; Y279-N393 WeakPolarHBondContact CB-OD1 3.48Å; Y279-N393 HydrophobicContact CD2-CB 4.13Å; Y279-N393 HydrophobicContact CG-CB 4.32Å; P389-N393 VanDerWaalsContact O-CB 3.29Å; P389-N393 WeakPolarHBondContact O-CB 3.41Å; P389-N393 PolarHBondContact O-N 2.99Å; P389-N393 PolarHBondContact O-ND2 2.68Å; P389-N393 PolarHBondContact O-OD1 3.32Å; T391-N393 PolarHBondContact O-N 3.31Å; N393-V396 PolarHBondContact O-N 3.3Å; N393-E397 WeakPolarHBondContact O-CB 3.26Å; N393-E397 WeakPolarHBondContact O-CG 3.22Å; N393-E397 PolarHBondContact O-N 3.14Å
394	H	92.3	Very high	92.3	Very high	17 Å²	17	16.3 Å²	16.3	8%	0.079	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-44.7	175.7	-165.8	172.8	0	0	0	111.4	F306 L347 T376 L377 V378 N390 T391 Q392 E397 A398	F306-H394 AromaticContact CD2-CE1 3.85Å; F306-H394 AromaticContact CD2-NE2 3.86Å; L347-H394 HydrophobicContact CD1-CB 3.62Å; T376-H394 PolarHBondContact OG1-NE2 3.43Å; L377-H394 PolarHBondContact O-CE1 2.63Å; V378-H394 HydrophobicContact CG2-CB 4.43Å; N390-H394 WeakPolarHBondContact O-CB 3.32Å; N390-H394 PolarHBondContact O-N 2.76Å; T391-H394 PolarHBondContact O-N 3.2Å; Q392-H394 PolarHBondContact O-N 2.94Å; H394-E397 PolarHBondContact O-N 3.14Å; H394-A398 WeakPolarHBondContact O-CB 3.35Å; H394-A398 PolarHBondContact O-N 3.29Å
395	I	95.8	Very high	93	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-60.2	-49.9	177.3	-66.9	155.4	0	0	0	110.5	V378 T391 Q392 E397 A398 V399 L407 L414 W422	V378-I395 HydrophobicContact CG1-CD1 4.39Å; V378-I395 HydrophobicContact CG1-CG1 4.03Å; V378-I395 HydrophobicContact CG2-CG1 4.31Å; T391-I395 VanDerWaalsContact O-CD1 3.25Å; T391-I395 WeakPolarHBondContact O-CD1 3.43Å; T391-I395 WeakPolarHBondContact O-CG1 3.39Å; T391-I395 PolarHBondContact O-N 2.77Å; Q392-I395 PolarHBondContact O-N 3.08Å; I395-E397 PolarHBondContact O-N 3.38Å; I395-A398 WeakPolarHBondContact O-CB 3.35Å; I395-A398 PolarHBondContact O-N 3.49Å; I395-V399 WeakPolarHBondContact O-CG2 3.46Å; I395-V399 PolarHBondContact O-N 3.21Å; I395-L407 HydrophobicContact CG1-CD2 4.45Å; I395-L414 HydrophobicContact CD1-CD2 3.29Å; I395-L414 HydrophobicContact CG1-CD2 4.17Å; I395-W422 HydrophobicContact CG2-CE3 4.42Å; I395-W422 HydrophobicContact CG2-CH2 3.39Å; I395-W422 HydrophobicContact CG2-CZ2 4.27Å; I395-W422 HydrophobicContact CG2-CZ3 3.49Å; I395-W422 VanDerWaalsContact CG2-CZ3 3.49Å
396	V	94.9	Very high	93.6	Very high	5 Å²	5	8.4 Å²	8.4	3%	0.03	5%	0.046	C	C	.	.	H	α-helix	trans	-59.4	-46	-179.5	171.7	0	0	0	0	111.2	P275 Y279 Q392 N393 A398 V399 K400 M464	P275-V396 HydrophobicContact CB-CG2 4.09Å; Y279-V396 HydrophobicContact CE1-CG1 4.2Å; Q392-V396 VanDerWaalsContact O-CG2 3.22Å; Q392-V396 WeakPolarHBondContact O-CG2 3.49Å; Q392-V396 PolarHBondContact O-N 2.05Å; N393-V396 PolarHBondContact O-N 3.3Å; V396-A398 VanDerWaalsContact C-N 3.35Å; V396-V399 PolarHBondContact O-N 3.37Å; V396-K400 WeakPolarHBondContact O-CB 3.02Å; V396-K400 PolarHBondContact O-N 3.27Å; V396-M464 HydrophobicContact CG2-SD 3.81Å
397	E	92.8	Very high	93.9	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-67.6	-35.5	178.2	-73.8	-75.7	-140.6	0	0	112.7	Y279 L370 N393 H394 I395 K400 F401	Y279-E397 HydrophobicContact CE2-CG 4.39Å; Y279-E397 WeakPolarHBondContact OH-CG 3.49Å; Y279-E397 PolarHBondContact OH-OE1 2.92Å; Y279-E397 PolarHBondContact OH-OE2 2.7Å; L370-E397 HydrophobicContact CD1-CB 3.81Å; N393-E397 WeakPolarHBondContact O-CB 3.26Å; N393-E397 WeakPolarHBondContact O-CG 3.22Å; N393-E397 PolarHBondContact O-N 3.14Å; H394-E397 PolarHBondContact O-N 3.14Å; I395-E397 PolarHBondContact O-N 3.38Å; E397-K400 CarbonylContact O-C 3.55Å; E397-K400 WeakPolarHBondContact OE2-CD 3.16Å; E397-K400 IonicContact OE2-NZ 3.88Å; E397-K400 PolarHBondContact OE2-NZ 3.38Å; E397-F401 VanDerWaalsContact O-CD2 3.23Å; E397-F401 WeakPolarHBondContact O-CD2 3.4Å; E397-F401 WeakPolarHBondContact OE2-CE2 3.47Å
398	A	95.7	Very high	94	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.8	-40.4	178.2	0	0	0	0	0	112	T376 H394 I395 V396 K400 G402 A403 P405	T376-A398 HydrophobicContact CG2-CB 3.49Å; T376-A398 VanDerWaalsContact CG2-CB 3.49Å; H394-A398 WeakPolarHBondContact O-CB 3.35Å; H394-A398 PolarHBondContact O-N 3.29Å; I395-A398 WeakPolarHBondContact O-CB 3.35Å; I395-A398 PolarHBondContact O-N 3.49Å; V396-A398 VanDerWaalsContact C-N 3.35Å; A398-K400 CarbonylContact C-O 3.58Å; A398-G402 PolarHBondContact O-N 3.29Å; A398-A403 CarbonylContact C-O 3.58Å; A398-A403 VanDerWaalsContact C-O 3.25Å; A398-A403 VanDerWaalsContact CB-O 3.3Å; A398-A403 WeakPolarHBondContact CB-O 3.46Å; A398-A403 CarbonylContact O-C 3.45Å; A398-A403 PolarHBondContact O-N 3.08Å; A398-P405 HydrophobicContact CB-CG 3.82Å
399	V	96.5	Very high	94.1	Very high	5 Å²	5	8.3 Å²	8.3	3%	0.03	5%	0.045	C	C	.	.	H	α-helix	trans	-87	-28	178.1	-62.9	0	0	0	0	115.2	I395 V396 P405 W422 W460 M464	I395-V399 WeakPolarHBondContact O-CG2 3.46Å; I395-V399 PolarHBondContact O-N 3.21Å; V396-V399 PolarHBondContact O-N 3.37Å; V399-P405 HydrophobicContact CG1-CG 3.83Å; V399-W422 HydrophobicContact CG1-CZ3 3.98Å; V399-W460 HydrophobicContact CG2-CB 3.94Å; V399-M464 HydrophobicContact CG2-CE 3.86Å; V399-M464 HydrophobicContact CG2-SD 4.44Å
400	K	94.5	Very high	94.2	Very high	30 Å²	30	12.5 Å²	12.5	13%	0.13	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	177.8	143.4	-168.4	173	160.3	-156.2	0	106.7	L291 V396 E397 A398 G402 W460	L291-K400 HydrophobicContact CD2-CG 3.82Å; V396-K400 WeakPolarHBondContact O-CB 3.02Å; V396-K400 PolarHBondContact O-N 3.27Å; E397-K400 CarbonylContact O-C 3.55Å; E397-K400 WeakPolarHBondContact OE2-CD 3.16Å; E397-K400 IonicContact OE2-NZ 3.88Å; E397-K400 PolarHBondContact OE2-NZ 3.38Å; A398-K400 CarbonylContact C-O 3.58Å; K400-G402 PolarHBondContact O-N 2.72Å; K400-W460 HydrophobicContact CB-CD2 4.04Å; K400-W460 HydrophobicContact CB-CG 4.06Å; K400-W460 HydrophobicContact CB-CZ2 4.41Å; K400-W460 HydrophobicContact CD-CZ2 3.65Å; K400-W460 HydrophobicContact CG-CD2 4.2Å; K400-W460 HydrophobicContact CG-CH2 4.33Å; K400-W460 HydrophobicContact CG-CZ2 3.72Å
401	F	94.4	Very high	94.3	Very high	10 Å²	10	11.8 Å²	11.8	4%	0.044	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	-15.9	-177.6	-48.8	-51.4	0	0	0	124.2	L291 P292 R299 V367 L370 K371 E397	L291-F401 HydrophobicContact CD2-CD1 4.22Å; L291-F401 HydrophobicContact CD2-CE1 4.1Å; P292-F401 HydrophobicContact CG-CB 4.37Å; P292-F401 HydrophobicContact CG-CD1 4.49Å; P292-F401 WeakPolarHBondContact CG-O 3.37Å; R299-F401 PolarHBondContact NH1-O 2.76Å; R299-F401 PolarHBondContact NH2-O 2.9Å; V367-F401 HydrophobicContact CB-CE2 4.08Å; V367-F401 HydrophobicContact CB-CZ 4.1Å; V367-F401 HydrophobicContact CG1-CD1 4.22Å; V367-F401 HydrophobicContact CG1-CD2 4.4Å; V367-F401 HydrophobicContact CG1-CE1 3.61Å; V367-F401 HydrophobicContact CG1-CE2 3.77Å; V367-F401 HydrophobicContact CG1-CZ 3.35Å; V367-F401 HydrophobicContact CG2-CE2 3.61Å; V367-F401 HydrophobicContact CG2-CZ 3.75Å; L370-F401 HydrophobicContact CB-CB 4.17Å; L370-F401 HydrophobicContact CB-CD2 4.35Å; L370-F401 HydrophobicContact CD1-CD2 4.27Å; K371-F401 HydrophobicContact CD-CD1 4.46Å; K371-F401 HydrophobicContact CG-CB 4.44Å; K371-F401 HydrophobicContact CG-CD1 3.85Å; K371-F401 HydrophobicContact CG-CG 4.29Å; E397-F401 VanDerWaalsContact O-CD2 3.23Å; E397-F401 WeakPolarHBondContact O-CD2 3.4Å; E397-F401 WeakPolarHBondContact OE2-CE2 3.47Å
402	G	95.8	Very high	94.5	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	22.9	177.8	0	0	0	0	0	116	R299 A398 K400 R453	R299-G402 PolarHBondContact NH1-O 3.19Å; A398-G402 PolarHBondContact O-N 3.29Å; K400-G402 PolarHBondContact O-N 2.72Å; G402-R453 VanDerWaalsContact O-CD 3.23Å; G402-R453 WeakPolarHBondContact O-CD 3.4Å; G402-R453 WeakPolarHBondContact O-CG 3.42Å; G402-R453 PolarHBondContact O-NE 3.04Å
403	A	97.4	Very high	94.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.07	C	C	.	.			trans	-90.4	110.6	171.1	0	0	0	0	0	109.4	L370 T376 A398 P405	L370-A403 HydrophobicContact CB-CB 4.3Å; L370-A403 HydrophobicContact CD2-CB 3.83Å; T376-A403 HydrophobicContact CG2-CB 4.08Å; A398-A403 CarbonylContact C-O 3.58Å; A398-A403 VanDerWaalsContact C-O 3.25Å; A398-A403 VanDerWaalsContact CB-O 3.3Å; A398-A403 WeakPolarHBondContact CB-O 3.46Å; A398-A403 CarbonylContact O-C 3.45Å; A398-A403 PolarHBondContact O-N 3.08Å; A403-P405 VanDerWaalsContact O-CD 3.3Å; A403-P405 WeakPolarHBondContact O-CD 3.44Å
404	I	98.6	Very high	94.8	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.1	-173.5	-62.8	164.9	0	0	0	109.6	T374 F375 T376 V406 I427 I449 L452 R453	T374-I404 PolarHBondContact O-N 3.5Å; F375-I404 CarbonylContact C-O 3.53Å; F375-I404 VanDerWaalsContact CA-O 3.27Å; F375-I404 WeakPolarHBondContact CA-O 3.43Å; F375-I404 HydrophobicContact CD1-CB 3.63Å; F375-I404 HydrophobicContact CD1-CD1 4.24Å; F375-I404 HydrophobicContact CD1-CG2 3.89Å; F375-I404 HydrophobicContact CE1-CB 3.93Å; F375-I404 HydrophobicContact CE1-CD1 3.7Å; F375-I404 HydrophobicContact CE1-CG1 4.43Å; F375-I404 HydrophobicContact CE1-CG2 4.02Å; F375-I404 HydrophobicContact CZ-CD1 4.42Å; T376-I404 PolarHBondContact N-O 3.14Å; I404-V406 PolarHBondContact O-N 3.46Å; I404-I427 HydrophobicContact CG2-CD1 4.21Å; I404-I427 HydrophobicContact CG2-CG1 4.35Å; I404-I449 HydrophobicContact CD1-CB 4.34Å; I404-I449 HydrophobicContact CD1-CG2 3.8Å; I404-L452 HydrophobicContact CD1-CB 3.74Å; I404-L452 HydrophobicContact CD1-CD1 4.04Å; I404-L452 HydrophobicContact CG1-CB 4.12Å; I404-L452 HydrophobicContact CG2-CB 4.5Å; I404-L452 HydrophobicContact CG2-CD1 4.26Å; I404-R453 HydrophobicContact CD1-CG 4.05Å; I404-R453 HydrophobicContact CG1-CG 3.76Å
405	P	98.3	Very high	95	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.7	176.9	-16.3	28.1	0	0	0	111.1	T376 V378 A398 V399 A403 L407 A425 S426 I427	T376-P405 CarbonylContact O-C 3.5Å; V378-P405 HydrophobicContact CG2-CB 4.1Å; A398-P405 HydrophobicContact CB-CG 3.82Å; V399-P405 HydrophobicContact CG1-CG 3.83Å; A403-P405 VanDerWaalsContact O-CD 3.3Å; A403-P405 WeakPolarHBondContact O-CD 3.44Å; P405-L407 HydrophobicContact CB-CD2 4.11Å; P405-A425 WeakPolarHBondContact CD-O 3.1Å; P405-S426 WeakPolarHBondContact O-CA 3.17Å; P405-S426 WeakPolarHBondContact O-CB 3.45Å; P405-I427 PolarHBondContact O-N 3.01Å
406	V	98.3	Very high	95	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	104	168.6	-178.5	0	0	0	0	107.2	L303 F375 T376 L377 V378 I404 I427 I429 L437 L441	L303-V406 HydrophobicContact CD1-CG2 4.43Å; F375-V406 HydrophobicContact CB-CG2 3.79Å; F375-V406 HydrophobicContact CD1-CG2 3.99Å; F375-V406 HydrophobicContact CG-CG2 4.19Å; T376-V406 PolarHBondContact O-N 3.1Å; L377-V406 WeakPolarHBondContact CA-O 3.25Å; L377-V406 HydrophobicContact CD1-CB 4.22Å; L377-V406 HydrophobicContact CD1-CG1 3.97Å; V378-V406 PolarHBondContact N-O 3.28Å; I404-V406 PolarHBondContact O-N 3.46Å; V406-I427 CarbonylContact C-O 3.54Å; V406-I427 VanDerWaalsContact CA-O 3.27Å; V406-I427 WeakPolarHBondContact CA-O 3.16Å; V406-I427 HydrophobicContact CG2-CB 4.47Å; V406-I429 HydrophobicContact CG1-CD1 4.44Å; V406-I429 HydrophobicContact CG1-CG1 4.25Å; V406-L437 HydrophobicContact CG1-CD1 3.8Å; V406-L441 HydrophobicContact CG2-CD2 3.74Å
407	L	97.1	Very high	95.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.2	-176.2	-49.8	174.8	0	0	0	109.2	V378 I395 P405 L412 L414 I427 R428 I429	V378-L407 HydrophobicContact CB-CD2 3.92Å; V378-L407 HydrophobicContact CG1-CD2 4.27Å; V378-L407 HydrophobicContact CG2-CD2 4.37Å; V378-L407 WeakPolarHBondContact O-CA 3.35Å; I395-L407 HydrophobicContact CG1-CD2 4.45Å; P405-L407 HydrophobicContact CB-CD2 4.11Å; L407-L412 HydrophobicContact CB-CD1 4.4Å; L407-L414 HydrophobicContact CD1-CD1 3.47Å; L407-L414 VanDerWaalsContact CD1-CD1 3.47Å; L407-L414 HydrophobicContact CD1-CD2 3.73Å; L407-L414 HydrophobicContact CD1-CG 4.14Å; L407-L414 HydrophobicContact CD2-CD2 3.87Å; L407-L414 HydrophobicContact CG-CD2 4.46Å; L407-I427 PolarHBondContact N-O 3.08Å; L407-R428 HydrophobicContact CB-CB 4.35Å; L407-R428 HydrophobicContact CB-CG 4.23Å; L407-I429 PolarHBondContact O-N 3.26Å
408	L	93.9	Very high	95.1	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	99.7	176.8	-172	65.2	0	0	0	109.5	F311 V323 L377 V378 I429 V431 I434	F311-L408 HydrophobicContact CE1-CD2 4.28Å; F311-L408 HydrophobicContact CZ-CD2 4.36Å; V323-L408 HydrophobicContact CG1-CD2 4.1Å; L377-L408 HydrophobicContact CD1-CB 4.08Å; L377-L408 HydrophobicContact CD2-CD2 4.35Å; V378-L408 PolarHBondContact O-N 3.03Å; L408-I429 HydrophobicContact CD1-CD1 3.87Å; L408-I429 HydrophobicContact CD1-CG1 3.95Å; L408-V431 HydrophobicContact CD1-CB 4.49Å; L408-V431 HydrophobicContact CD1-CG2 4.48Å; L408-V431 HydrophobicContact CG-CG2 4.2Å; L408-I434 HydrophobicContact CD1-CD1 3.98Å; L408-I434 HydrophobicContact CD2-CD1 4.37Å
409	G	90.3	Very high	95.1	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	9%	0.091	C	C	.	.			trans	117.6	143.3	-179	0	0	0	0	0	114	R428 I429	G409-R428 PolarHBondContact O-NH1 2.75Å; G409-I429 PolarHBondContact N-O 2.03Å
410	E	89.3	Confident	95.2	Very high	116 Å²	116	19.3 Å²	19.3	54%	0.542	9%	0.09	S	C	.	.	S	Bend	trans	-82.2	-19.9	-179	-62.5	-59.3	141.4	0	0	112.9	L412 R428	E410-L412 VanDerWaalsContact C-N 3.31Å; E410-L412 PolarHBondContact O-N 2.81Å; E410-R428 PolarHBondContact O-NH1 3.3Å; E410-R428 WeakPolarHBondContact OE2-CD 3.2Å
411	H	90.1	Very high	95.3	Very high	40 Å²	40	19 Å²	19	19%	0.185	9%	0.089	C	C	.	.	S	Bend	trans	-73.4	-20.9	-176.9	61.5	-64.3	0	0	0	113.9	E380 F383 L385 R413	E380-H411 PolarHBondContact O-CE1 2.96Å; E380-H411 PolarHBondContact O-NE2 3.3Å; E380-H411 VanDerWaalsContact O-NE2 3.13Å; F383-H411 AromaticContact CD1-CE1 3.51Å; F383-H411 AromaticContact CD1-CG 4Å; F383-H411 AromaticContact CD1-ND1 3.61Å; F383-H411 AromaticContact CD1-NE2 3.84Å; F383-H411 AromaticContact CE1-CE1 3.62Å; F383-H411 AromaticContact CE1-ND1 3.86Å; L385-H411 PolarHBondContact O-CD2 3.13Å; L385-H411 VanDerWaalsContact O-CD2 3.3Å; H411-R413 PolarHBondContact O-N 3.16Å
412	L	93.5	Very high	95.5	Very high	4 Å²	4	19 Å²	19	2%	0.021	9%	0.089	C	C	.	.			trans	-65.7	122.3	-177.5	-65.1	176	0	0	0	111.6	E380 A386 T391 L407 E410 R428	E380-L412 HydrophobicContact CB-CD2 3.51Å; A386-L412 WeakPolarHBondContact O-CA 3.46Å; T391-L412 HydrophobicContact CG2-CD2 4.42Å; L407-L412 HydrophobicContact CB-CD1 4.4Å; E410-L412 VanDerWaalsContact C-N 3.31Å; E410-L412 PolarHBondContact O-N 2.81Å; L412-R428 PolarHBondContact O-NH1 2.9Å; L412-R428 PolarHBondContact O-NH2 3.24Å
413	R	94.1	Very high	95.5	Very high	77 Å²	77	28.1 Å²	28.1	29%	0.291	12%	0.123	S	C	.	.			trans	-95.9	143.8	170.1	-59.6	-60.3	-62.3	-172.5	0.9	110.2	V273 A386 Q392 H411 D417	V273-R413 HydrophobicContact CG1-CB 4.43Å; V273-R413 HydrophobicContact CG2-CB 3.73Å; V273-R413 HydrophobicContact CG2-CG 4.44Å; A386-R413 HydrophobicContact CB-CG 3.93Å; A386-R413 PolarHBondContact O-N 2.68Å; Q392-R413 PolarHBondContact NE2-O 3.33Å; H411-R413 PolarHBondContact O-N 3.16Å; R413-D417 WeakPolarHBondContact CA-OD2 2.98Å; R413-D417 WeakPolarHBondContact CB-OD2 3.5Å; R413-D417 VanDerWaalsContact CZ-CG 3.48Å; R413-D417 IonicContact CZ-OD1 3.8Å; R413-D417 IonicContact CZ-OD2 3.57Å; R413-D417 IonicContact NE-OD1 3.78Å; R413-D417 PolarHBondContact NE-OD1 2.98Å; R413-D417 IonicContact NE-OD2 3.21Å; R413-D417 PolarHBondContact NE-OD2 2.74Å; R413-D417 IonicContact NH1-OD2 2.71Å; R413-D417 IonicContact NH2-OD1 3.92Å; R413-D417 PolarHBondContact NH2-OD1 3.31Å; R413-D417 IonicContact NH2-OD2 3.96Å; R413-D417 PolarHBondContact NH2-OD2 3.45Å
414	L	96.5	Very high	95.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	14%	0.135	C	C	.	.			trans	-116.5	161.8	-171.7	-50	167.7	0	0	0	109.3	V273 I395 L407 F416 D417 W422	V273-L414 WeakPolarHBondContact CG1-O 3.3Å; I395-L414 HydrophobicContact CD1-CD2 3.29Å; I395-L414 HydrophobicContact CG1-CD2 4.17Å; L407-L414 HydrophobicContact CD1-CD1 3.47Å; L407-L414 VanDerWaalsContact CD1-CD1 3.47Å; L407-L414 HydrophobicContact CD1-CD2 3.73Å; L407-L414 HydrophobicContact CD1-CG 4.14Å; L407-L414 HydrophobicContact CD2-CD2 3.87Å; L407-L414 HydrophobicContact CG-CD2 4.46Å; L414-F416 PolarHBondContact O-N 3Å; L414-D417 HydrophobicContact CB-CB 4.05Å; L414-D417 PolarHBondContact N-OD2 2.89Å; L414-D417 WeakPolarHBondContact O-CB 3.05Å; L414-D417 PolarHBondContact O-N 2.87Å; L414-W422 HydrophobicContact CB-CD2 3.91Å; L414-W422 HydrophobicContact CB-CG 3.89Å; L414-W422 HydrophobicContact CB-CZ2 4.31Å; L414-W422 HydrophobicContact CD1-CB 3.3Å; L414-W422 HydrophobicContact CD1-CD2 3.65Å; L414-W422 HydrophobicContact CD1-CE3 4.2Å; L414-W422 HydrophobicContact CD1-CG 3.21Å; L414-W422 HydrophobicContact CG-CD2 4.37Å; L414-W422 HydrophobicContact CG-CG 4.19Å
415	P	96.7	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	127	-179.8	-18.6	27.8	0	0	0	111.3	P275 D417 W422	P275-P415 HydrophobicContact CG-CB 3.82Å; P275-P415 HydrophobicContact CG-CG 4.25Å; P415-D417 PolarHBondContact O-N 3.2Å; P415-D417 VanDerWaalsContact O-N 3.07Å; P415-W422 HydrophobicContact CB-CZ2 4.15Å; P415-W422 HydrophobicContact CG-CH2 4.44Å; P415-W422 HydrophobicContact CG-CZ2 3.94Å; P415-W422 PolarHBondContact O-NE1 2.98Å
416	F	97.2	Very high	95.5	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	30.3	176.8	-48.2	-61.4	0	0	0	114.2	M272 V273 M274 P275 L414 E418 V419 L420 I470 T473 A474 V477	M272-F416 HydrophobicContact CG-CD1 4.37Å; M272-F416 HydrophobicContact SD-CD1 4.32Å; M272-F416 HydrophobicContact SD-CE1 4.13Å; V273-F416 PolarHBondContact O-N 3.34Å; M274-F416 HydrophobicContact CB-CD1 4.39Å; M274-F416 HydrophobicContact CB-CE1 3.62Å; M274-F416 HydrophobicContact CB-CZ 3.78Å; P275-F416 HydrophobicContact CG-CE2 4.13Å; L414-F416 PolarHBondContact O-N 3Å; F416-E418 PolarHBondContact O-N 3Å; F416-V419 HydrophobicContact CB-CG2 4.13Å; F416-V419 WeakPolarHBondContact O-CG2 3.29Å; F416-V419 PolarHBondContact O-N 3.14Å; F416-L420 HydrophobicContact CB-CD1 3.94Å; F416-L420 HydrophobicContact CB-CG 3.96Å; F416-L420 HydrophobicContact CD2-CD1 4.41Å; F416-L420 WeakPolarHBondContact O-CB 3.27Å; F416-L420 PolarHBondContact O-N 2.85Å; F416-I470 HydrophobicContact CZ-CG2 4.19Å; F416-T473 HydrophobicContact CD1-CG2 4.23Å; F416-T473 HydrophobicContact CD2-CG2 3.62Å; F416-T473 HydrophobicContact CE1-CG2 4.15Å; F416-T473 HydrophobicContact CE2-CG2 3.51Å; F416-T473 HydrophobicContact CG-CG2 3.97Å; F416-T473 HydrophobicContact CZ-CG2 3.79Å; F416-A474 HydrophobicContact CE1-CB 4.02Å; F416-A474 HydrophobicContact CZ-CB 4.4Å; F416-V477 HydrophobicContact CB-CG2 4.42Å; F416-V477 HydrophobicContact CD1-CG2 4.02Å; F416-V477 HydrophobicContact CG-CG2 4.4Å
417	D	95.3	Very high	95.5	Very high	30 Å²	30	33.2 Å²	33.2	16%	0.16	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.3	-174.2	63.1	3	0	0	0	115.6	R413 L414 P415	R413-D417 WeakPolarHBondContact CA-OD2 2.98Å; R413-D417 WeakPolarHBondContact CB-OD2 3.5Å; R413-D417 VanDerWaalsContact CZ-CG 3.48Å; R413-D417 IonicContact CZ-OD1 3.8Å; R413-D417 IonicContact CZ-OD2 3.57Å; R413-D417 IonicContact NE-OD1 3.78Å; R413-D417 PolarHBondContact NE-OD1 2.98Å; R413-D417 IonicContact NE-OD2 3.21Å; R413-D417 PolarHBondContact NE-OD2 2.74Å; R413-D417 IonicContact NH1-OD2 2.71Å; R413-D417 IonicContact NH2-OD1 3.92Å; R413-D417 PolarHBondContact NH2-OD1 3.31Å; R413-D417 IonicContact NH2-OD2 3.96Å; R413-D417 PolarHBondContact NH2-OD2 3.45Å; L414-D417 HydrophobicContact CB-CB 4.05Å; L414-D417 PolarHBondContact N-OD2 2.89Å; L414-D417 WeakPolarHBondContact O-CB 3.05Å; L414-D417 PolarHBondContact O-N 2.87Å; P415-D417 PolarHBondContact O-N 3.2Å; P415-D417 VanDerWaalsContact O-N 3.07Å
418	E	93.5	Very high	95.5	Very high	69 Å²	69	36.9 Å²	36.9	32%	0.322	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-29.3	167.8	63	-177.8	139.6	0	0	113.5	F416 V477 R481	F416-E418 PolarHBondContact O-N 3Å; E418-V477 HydrophobicContact CG-CG1 3.81Å; E418-V477 WeakPolarHBondContact OE1-CG1 3.42Å; E418-R481 IonicContact OE1-CZ 2.74Å; E418-R481 IonicContact OE1-NE 2.66Å; E418-R481 PolarHBondContact OE1-NE 2.95Å; E418-R481 IonicContact OE1-NH2 3.51Å; E418-R481 PolarHBondContact OE1-NH2 2.82Å; E418-R481 IonicContact OE2-CZ 3.25Å; E418-R481 IonicContact OE2-NE 2.92Å; E418-R481 PolarHBondContact OE2-NE 3.07Å; E418-R481 IonicContact OE2-NH2 3.42Å; E418-R481 PolarHBondContact OE2-NH2 3.21Å
419	V	95.9	Very high	95.5	Very high	11 Å²	11	37 Å²	37	7%	0.067	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-27.5	176.9	-69.8	0	0	0	0	112.4	F416 V477 H480 W549 N550	F416-V419 HydrophobicContact CB-CG2 4.13Å; F416-V419 WeakPolarHBondContact O-CG2 3.29Å; F416-V419 PolarHBondContact O-N 3.14Å; V419-V477 HydrophobicContact CG1-CG1 4.28Å; V419-V477 HydrophobicContact CG2-CG1 4.36Å; V419-V477 HydrophobicContact CG2-CG2 3.68Å; V419-H480 WeakPolarHBondContact CG1-CD2 3.34Å; V419-W549 HydrophobicContact CB-CB 4.39Å; V419-W549 HydrophobicContact CB-CD2 3.72Å; V419-W549 HydrophobicContact CB-CE3 4.11Å; V419-W549 HydrophobicContact CB-CG 3.83Å; V419-W549 HydrophobicContact CG1-CD2 4.25Å; V419-W549 HydrophobicContact CG1-CG 4.45Å; V419-W549 HydrophobicContact CG1-CZ2 4.34Å; V419-W549 HydrophobicContact CG2-CD2 3.79Å; V419-W549 HydrophobicContact CG2-CE3 3.65Å; V419-W549 HydrophobicContact CG2-CG 4.37Å; V419-W549 HydrophobicContact CG2-CH2 4.26Å; V419-W549 HydrophobicContact CG2-CZ2 4.36Å; V419-W549 HydrophobicContact CG2-CZ3 3.9Å; V419-N550 PolarHBondContact O-ND2 3.13Å
420	L	97.7	Very high	95.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	17%	0.174	C	C	.	.			trans	-91.4	116.3	179.2	-58.5	-170.4	0	0	0	110.8	F416 W422 F459 Y463 W549 N550	F416-L420 HydrophobicContact CB-CD1 3.94Å; F416-L420 HydrophobicContact CB-CG 3.96Å; F416-L420 HydrophobicContact CD2-CD1 4.41Å; F416-L420 WeakPolarHBondContact O-CB 3.27Å; F416-L420 PolarHBondContact O-N 2.85Å; L420-W422 VanDerWaalsContact O-CD1 3.22Å; L420-W422 PolarHBondContact O-N 2.79Å; L420-W422 VanDerWaalsContact O-N 3.09Å; L420-F459 HydrophobicContact CB-CE2 4.35Å; L420-F459 HydrophobicContact CD1-CD2 4.48Å; L420-Y463 HydrophobicContact CD1-CD2 3.73Å; L420-Y463 HydrophobicContact CD1-CE2 4.32Å; L420-Y463 HydrophobicContact CD1-CG 4.29Å; L420-Y463 HydrophobicContact CD2-CD2 3.68Å; L420-Y463 HydrophobicContact CD2-CE2 3.39Å; L420-Y463 HydrophobicContact CD2-CG 4.45Å; L420-Y463 HydrophobicContact CG-CD2 4.38Å; L420-W549 HydrophobicContact CD2-CB 4.43Å; L420-W549 HydrophobicContact CD2-CE3 4.05Å; L420-N550 WeakPolarHBondContact CA-OD1 3.5Å
421	D	97.7	Very high	95.7	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.118	15%	0.152	C	C	.	.			trans	-80.2	88.2	172.7	-171.9	-3.6	0	0	0	110.4	R423 R424 Y546 N550	D421-R423 PolarHBondContact O-N 2.98Å; D421-R423 VanDerWaalsContact O-N 3.07Å; D421-R423 VanDerWaalsContact OD1-CB 3.23Å; D421-R423 WeakPolarHBondContact OD1-CB 3.35Å; D421-R423 WeakPolarHBondContact OD1-CG 3.25Å; D421-R423 IonicContact OD1-CZ 3.59Å; D421-R423 PolarHBondContact OD1-N 2.8Å; D421-R423 VanDerWaalsContact OD1-N 3.17Å; D421-R423 IonicContact OD1-NE 2.82Å; D421-R423 PolarHBondContact OD1-NE 3.3Å; D421-R423 IonicContact OD1-NH2 2.72Å; D421-R423 IonicContact OD2-CZ 3.65Å; D421-R423 IonicContact OD2-NE 3.61Å; D421-R423 PolarHBondContact OD2-NE 2.64Å; D421-R423 IonicContact OD2-NH2 3.77Å; D421-R423 PolarHBondContact OD2-NH2 3.07Å; D421-R424 HydrophobicContact CB-CG 4.43Å; D421-R424 WeakPolarHBondContact O-CB 3.46Å; D421-R424 PolarHBondContact O-N 3.04Å; D421-Y546 HydrophobicContact CB-CE2 3.76Å; D421-Y546 WeakPolarHBondContact OD2-CE2 3.47Å; D421-Y546 PolarHBondContact OD2-OH 3.38Å; D421-N550 PolarHBondContact N-OD1 3.34Å
422	W	97.8	Very high	95.7	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.045	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.7	-10.1	179.8	-76.9	92.9	0	0	0	114.8	I395 V399 L414 P415 L420 R424 A425 S426 M464	I395-W422 HydrophobicContact CG2-CE3 4.42Å; I395-W422 HydrophobicContact CG2-CH2 3.39Å; I395-W422 HydrophobicContact CG2-CZ2 4.27Å; I395-W422 HydrophobicContact CG2-CZ3 3.49Å; I395-W422 VanDerWaalsContact CG2-CZ3 3.49Å; V399-W422 HydrophobicContact CG1-CZ3 3.98Å; L414-W422 HydrophobicContact CB-CD2 3.91Å; L414-W422 HydrophobicContact CB-CG 3.89Å; L414-W422 HydrophobicContact CB-CZ2 4.31Å; L414-W422 HydrophobicContact CD1-CB 3.3Å; L414-W422 HydrophobicContact CD1-CD2 3.65Å; L414-W422 HydrophobicContact CD1-CE3 4.2Å; L414-W422 HydrophobicContact CD1-CG 3.21Å; L414-W422 HydrophobicContact CG-CD2 4.37Å; L414-W422 HydrophobicContact CG-CG 4.19Å; P415-W422 HydrophobicContact CB-CZ2 4.15Å; P415-W422 HydrophobicContact CG-CH2 4.44Å; P415-W422 HydrophobicContact CG-CZ2 3.94Å; P415-W422 PolarHBondContact O-NE1 2.98Å; L420-W422 VanDerWaalsContact O-CD1 3.22Å; L420-W422 PolarHBondContact O-N 2.79Å; L420-W422 VanDerWaalsContact O-N 3.09Å; W422-R424 PolarHBondContact O-N 3.17Å; W422-A425 HydrophobicContact CE3-CB 4.25Å; W422-A425 PolarHBondContact O-N 3.41Å; W422-A425 VanDerWaalsContact O-N 3.07Å; W422-S426 PolarHBondContact O-N 2.67Å; W422-S426 PolarHBondContact O-OG 2.87Å; W422-M464 HydrophobicContact CH2-CE 3.78Å; W422-M464 HydrophobicContact CH2-SD 4.49Å; W422-M464 HydrophobicContact CZ2-CE 4.14Å
423	R	97.5	Very high	95.7	Very high	194 Å²	194	40.6 Å²	40.6	73%	0.732	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-62.9	-19.5	169.4	-58.7	175.3	-65.8	-179.5	2.6	112	D421	D421-R423 PolarHBondContact O-N 2.98Å; D421-R423 VanDerWaalsContact O-N 3.07Å; D421-R423 VanDerWaalsContact OD1-CB 3.23Å; D421-R423 WeakPolarHBondContact OD1-CB 3.35Å; D421-R423 WeakPolarHBondContact OD1-CG 3.25Å; D421-R423 IonicContact OD1-CZ 3.59Å; D421-R423 PolarHBondContact OD1-N 2.8Å; D421-R423 VanDerWaalsContact OD1-N 3.17Å; D421-R423 IonicContact OD1-NE 2.82Å; D421-R423 PolarHBondContact OD1-NE 3.3Å; D421-R423 IonicContact OD1-NH2 2.72Å; D421-R423 IonicContact OD2-CZ 3.65Å; D421-R423 IonicContact OD2-NE 3.61Å; D421-R423 PolarHBondContact OD2-NE 2.64Å; D421-R423 IonicContact OD2-NH2 3.77Å; D421-R423 PolarHBondContact OD2-NH2 3.07Å
424	R	97.6	Very high	95.6	Very high	68 Å²	68	37.1 Å²	37.1	26%	0.257	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-83.5	-10.4	176.4	-59.3	-179.3	68.9	77	5.8	113.8	D421 W422 L452 N455 N550	D421-R424 HydrophobicContact CB-CG 4.43Å; D421-R424 WeakPolarHBondContact O-CB 3.46Å; D421-R424 PolarHBondContact O-N 3.04Å; W422-R424 PolarHBondContact O-N 3.17Å; R424-L452 VanDerWaalsContact C-CD2 3.47Å; R424-L452 WeakPolarHBondContact O-CA 3.19Å; R424-L452 WeakPolarHBondContact O-CD2 3.46Å; R424-N455 HydrophobicContact CB-CB 4.29Å; R424-N455 WeakPolarHBondContact O-CB 3.08Å; R424-N455 PolarHBondContact O-ND2 3.08Å; R424-N550 PolarHBondContact NE-O 2.89Å; R424-N550 VanDerWaalsContact NE-O 3.08Å
425	A	98.1	Very high	95.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-7.8	-173.4	0	0	0	0	0	114.4	P405 W422 F459	P405-A425 WeakPolarHBondContact CD-O 3.1Å; W422-A425 HydrophobicContact CE3-CB 4.25Å; W422-A425 PolarHBondContact O-N 3.41Å; W422-A425 VanDerWaalsContact O-N 3.07Å; A425-F459 HydrophobicContact CB-CD2 4Å; A425-F459 HydrophobicContact CB-CE2 4.14Å
426	S	98.1	Very high	95.3	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.063	22%	0.222	C	C	.	.			trans	-146.7	162.9	-176.2	69	0	0	0	0	111.3	P405 W422	P405-S426 WeakPolarHBondContact O-CA 3.17Å; P405-S426 WeakPolarHBondContact O-CB 3.45Å; W422-S426 PolarHBondContact O-N 2.67Å; W422-S426 PolarHBondContact O-OG 2.87Å
427	I	97.8	Very high	95.3	Very high	32 Å²	32	45.4 Å²	45.4	16%	0.164	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.4	174.2	-61.8	160.6	0	0	0	107.3	F375 I404 P405 V406 L407 I429 L441 L444 L452	F375-I427 HydrophobicContact CD1-CD1 3.79Å; F375-I427 HydrophobicContact CE1-CD1 3.39Å; F375-I427 HydrophobicContact CZ-CD1 4.27Å; I404-I427 HydrophobicContact CG2-CD1 4.21Å; I404-I427 HydrophobicContact CG2-CG1 4.35Å; P405-I427 PolarHBondContact O-N 3.01Å; V406-I427 CarbonylContact C-O 3.54Å; V406-I427 VanDerWaalsContact CA-O 3.27Å; V406-I427 WeakPolarHBondContact CA-O 3.16Å; V406-I427 HydrophobicContact CG2-CB 4.47Å; L407-I427 PolarHBondContact N-O 3.08Å; I427-I429 HydrophobicContact CG2-CG2 4.3Å; I427-L441 HydrophobicContact CD1-CD2 4.06Å; I427-L444 HydrophobicContact CD1-CD1 3.34Å; I427-L444 HydrophobicContact CG1-CD1 4.29Å; I427-L452 HydrophobicContact CD1-CD1 4.47Å; I427-L452 HydrophobicContact CG1-CD1 4.34Å
428	R	96.4	Very high	95.3	Very high	78 Å²	78	45.3 Å²	45.3	29%	0.294	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	175.9	-172.4	176.3	-67.5	-106.6	12.3	110.1	L407 G409 E410 L412	L407-R428 HydrophobicContact CB-CB 4.35Å; L407-R428 HydrophobicContact CB-CG 4.23Å; G409-R428 PolarHBondContact O-NH1 2.75Å; E410-R428 PolarHBondContact O-NH1 3.3Å; E410-R428 WeakPolarHBondContact OE2-CD 3.2Å; L412-R428 PolarHBondContact O-NH1 2.9Å; L412-R428 PolarHBondContact O-NH2 3.24Å
429	I	95.2	Very high	95.4	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.1	173.3	60.2	161	0	0	0	111.1	V406 L407 L408 G409 I427 L437 L440	V406-I429 HydrophobicContact CG1-CD1 4.44Å; V406-I429 HydrophobicContact CG1-CG1 4.25Å; L407-I429 PolarHBondContact O-N 3.26Å; L408-I429 HydrophobicContact CD1-CD1 3.87Å; L408-I429 HydrophobicContact CD1-CG1 3.95Å; G409-I429 PolarHBondContact N-O 2.03Å; I427-I429 HydrophobicContact CG2-CG2 4.3Å; I429-L437 HydrophobicContact CD1-CB 4.2Å; I429-L437 HydrophobicContact CD1-CD1 3.74Å; I429-L437 HydrophobicContact CD1-CG 4.37Å; I429-L440 HydrophobicContact CG2-CD1 3.96Å
430	P	93	Very high	95.4	Very high	49 Å²	49	50.4 Å²	50.4	32%	0.318	24%	0.242	S	C	.	.			trans	-62	146.2	167.5	-22.5	33.2	0	0	0	110.9	A432 R433	P430-A432 PolarHBondContact O-N 3.42Å; P430-A432 VanDerWaalsContact O-N 3.14Å; P430-R433 PolarHBondContact O-N 2.84Å
431	V	90.6	Very high	95.4	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.091	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.3	-35.6	178.4	-169.9	0	0	0	0	111.9	F318 V323 F383 L408 R433 I434	F318-V431 HydrophobicContact CD1-CG1 3.64Å; F318-V431 HydrophobicContact CD2-CG1 4.32Å; F318-V431 HydrophobicContact CE1-CG1 3.7Å; F318-V431 HydrophobicContact CE2-CG1 4.37Å; F318-V431 HydrophobicContact CG-CG1 3.97Å; F318-V431 HydrophobicContact CZ-CG1 4.07Å; V323-V431 HydrophobicContact CG2-CG1 3.99Å; F383-V431 HydrophobicContact CE1-CG2 4.09Å; F383-V431 HydrophobicContact CZ-CG2 4.02Å; L408-V431 HydrophobicContact CD1-CB 4.49Å; L408-V431 HydrophobicContact CD1-CG2 4.48Å; L408-V431 HydrophobicContact CG-CG2 4.2Å; V431-R433 PolarHBondContact O-N 3.27Å; V431-I434 WeakPolarHBondContact O-CB 3.44Å; V431-I434 WeakPolarHBondContact O-CG2 3.42Å; V431-I434 PolarHBondContact O-N 2.76Å
432	A	89.6	Confident	95.3	Very high	71 Å²	71	55.1 Å²	55.1	59%	0.587	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.1	-23.2	178.2	0	0	0	0	0	114.7	F318 P430 I434	F318-A432 HydrophobicContact CE2-CB 4.42Å; P430-A432 PolarHBondContact O-N 3.42Å; P430-A432 VanDerWaalsContact O-N 3.14Å; A432-I434 VanDerWaalsContact C-N 3.34Å
433	R	92.9	Very high	95.2	Very high	104 Å²	104	58.1 Å²	58.1	39%	0.392	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-94	13.9	179.5	-68.8	-172.5	72	-166.4	2.4	113.3	P430 V431 T435 E436	P430-R433 PolarHBondContact O-N 2.84Å; V431-R433 PolarHBondContact O-N 3.27Å; R433-T435 PolarHBondContact O-N 3.35Å; R433-E436 IonicContact CZ-OE2 3.39Å; R433-E436 IonicContact NE-OE1 3.28Å; R433-E436 IonicContact NE-OE2 3.66Å; R433-E436 PolarHBondContact NE-OE2 2.82Å; R433-E436 IonicContact NH2-OE2 3.08Å; R433-E436 PolarHBondContact NH2-OE2 3.26Å; R433-E436 WeakPolarHBondContact O-CB 3.37Å; R433-E436 PolarHBondContact O-N 2.88Å
434	I	92.6	Very high	95.2	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56.4	-33.9	-178.8	-171.8	64.2	0	0	0	113.1	V323 V326 L408 V431 A432 E436 L437	V323-I434 HydrophobicContact CB-CG1 4.5Å; V323-I434 HydrophobicContact CG1-CD1 4.28Å; V323-I434 HydrophobicContact CG1-CG1 4.05Å; V323-I434 HydrophobicContact CG2-CG1 4.42Å; V323-I434 HydrophobicContact CG2-CG2 4.24Å; V326-I434 HydrophobicContact CB-CG1 4.39Å; V326-I434 HydrophobicContact CG1-CG1 4.11Å; V326-I434 WeakPolarHBondContact CG1-O 3.44Å; V326-I434 HydrophobicContact CG2-CG2 4.41Å; L408-I434 HydrophobicContact CD1-CD1 3.98Å; L408-I434 HydrophobicContact CD2-CD1 4.37Å; V431-I434 WeakPolarHBondContact O-CB 3.44Å; V431-I434 WeakPolarHBondContact O-CG2 3.42Å; V431-I434 PolarHBondContact O-N 2.76Å; A432-I434 VanDerWaalsContact C-N 3.34Å; I434-E436 PolarHBondContact O-N 3.05Å; I434-L437 HydrophobicContact CD1-CB 4.38Å; I434-L437 HydrophobicContact CD1-CD2 3.79Å; I434-L437 WeakPolarHBondContact O-CB 3.41Å; I434-L437 PolarHBondContact O-N 3.27Å; I434-L437 VanDerWaalsContact O-N 3.15Å
435	T	93.3	Very high	95.2	Very high	99 Å²	99	49.9 Å²	49.9	61%	0.607	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.3	177	49.6	0	0	0	0	113.1	V326 R433	V326-T435 HydrophobicContact CG2-CG2 3.68Å; R433-T435 PolarHBondContact O-N 3.35Å
436	E	94.5	Very high	95.2	Very high	77 Å²	77	53.6 Å²	53.6	36%	0.36	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-93.4	-6.2	-179.9	-59.5	171.4	-142.6	0	0	112.7	R433 I434 H438 F439 L440	R433-E436 IonicContact CZ-OE2 3.39Å; R433-E436 IonicContact NE-OE1 3.28Å; R433-E436 IonicContact NE-OE2 3.66Å; R433-E436 PolarHBondContact NE-OE2 2.82Å; R433-E436 IonicContact NH2-OE2 3.08Å; R433-E436 PolarHBondContact NH2-OE2 3.26Å; R433-E436 WeakPolarHBondContact O-CB 3.37Å; R433-E436 PolarHBondContact O-N 2.88Å; I434-E436 PolarHBondContact O-N 3.05Å; E436-H438 PolarHBondContact O-N 2.9Å; E436-F439 WeakPolarHBondContact O-CB 3.33Å; E436-F439 PolarHBondContact O-N 2.02Å; E436-F439 VanDerWaalsContact O-N 3.13Å; E436-L440 HydrophobicContact CB-CD1 4.28Å; E436-L440 HydrophobicContact CB-CG 4.42Å; E436-L440 WeakPolarHBondContact O-CG 3.47Å; E436-L440 PolarHBondContact O-N 2.83Å
437	L	95.5	Very high	95.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-54.1	-47.9	-170.7	172.3	61.9	0	0	0	112.8	L303 L327 M330 L377 V406 I429 I434 F439 L440 L441	L303-L437 HydrophobicContact CD2-CD2 3.74Å; L327-L437 HydrophobicContact CD2-CD2 4.36Å; M330-L437 HydrophobicContact CE-CB 3.81Å; M330-L437 HydrophobicContact CE-CD2 4.09Å; M330-L437 HydrophobicContact CE-CG 4.13Å; L377-L437 HydrophobicContact CD1-CD2 4.33Å; V406-L437 HydrophobicContact CG1-CD1 3.8Å; I429-L437 HydrophobicContact CD1-CB 4.2Å; I429-L437 HydrophobicContact CD1-CD1 3.74Å; I429-L437 HydrophobicContact CD1-CG 4.37Å; I434-L437 HydrophobicContact CD1-CB 4.38Å; I434-L437 HydrophobicContact CD1-CD2 3.79Å; I434-L437 WeakPolarHBondContact O-CB 3.41Å; I434-L437 PolarHBondContact O-N 3.27Å; I434-L437 VanDerWaalsContact O-N 3.15Å; L437-F439 VanDerWaalsContact C-N 3.31Å; L437-F439 PolarHBondContact O-N 3.19Å; L437-L440 PolarHBondContact O-N 3.17Å; L437-L441 HydrophobicContact CD1-CD1 3.85Å; L437-L441 HydrophobicContact CD1-CD2 4.02Å; L437-L441 HydrophobicContact CD1-CG 3.74Å; L437-L441 HydrophobicContact CG-CD1 4.19Å; L437-L441 HydrophobicContact CG-CG 4.37Å; L437-L441 WeakPolarHBondContact O-CG 3.13Å; L437-L441 PolarHBondContact O-N 3.1Å
438	H	95.7	Very high	95.2	Very high	28 Å²	28	58.4 Å²	58.4	13%	0.13	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-40.6	-177.8	-174.6	-170.7	0	0	0	112	M330 T335 D337 F339 E436 R442	M330-H438 HydrophobicContact CE-CB 3.98Å; M330-H438 HydrophobicContact CG-CB 4.42Å; M330-H438 HydrophobicContact SD-CB 4.32Å; T335-H438 VanDerWaalsContact CG2-CE1 3.47Å; T335-H438 WeakPolarHBondContact CG2-CE1 3.38Å; T335-H438 PolarHBondContact OG1-CE1 3.21Å; T335-H438 VanDerWaalsContact OG1-CE1 3.3Å; D337-H438 IonicContact OD2-CD2 3.36Å; D337-H438 IonicContact OD2-CE1 3.26Å; D337-H438 IonicContact OD2-NE2 3.01Å; D337-H438 PolarHBondContact OD2-NE2 3.27Å; F339-H438 AromaticContact CZ-CD2 3.97Å; F339-H438 AromaticContact CZ-CE1 3.91Å; F339-H438 AromaticContact CZ-NE2 3.72Å; E436-H438 PolarHBondContact O-N 2.9Å; H438-R442 WeakPolarHBondContact O-CG 3.3Å; H438-R442 PolarHBondContact O-N 2.83Å
439	F	95.3	Very high	95.3	Very high	151 Å²	151	54.9 Å²	54.9	66%	0.662	30%	0.301	S	S	*	.	H	α-helix	trans	-63.7	-47.2	175	171.4	-94.4	0	0	0	111.3	E436 L437 L441 R442 S443	E436-F439 WeakPolarHBondContact O-CB 3.33Å; E436-F439 PolarHBondContact O-N 2.02Å; E436-F439 VanDerWaalsContact O-N 3.13Å; L437-F439 VanDerWaalsContact C-N 3.31Å; L437-F439 PolarHBondContact O-N 3.19Å; F439-L441 PolarHBondContact O-N 2.96Å; F439-R442 PolarHBondContact O-N 3.47Å; F439-S443 PolarHBondContact O-N 3.11Å
440	L	96.5	Very high	95.4	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-47.2	-179.8	-68.3	173.3	0	0	0	111.9	I429 E436 L437 R442 S443	I429-L440 HydrophobicContact CG2-CD1 3.96Å; E436-L440 HydrophobicContact CB-CD1 4.28Å; E436-L440 HydrophobicContact CB-CG 4.42Å; E436-L440 WeakPolarHBondContact O-CG 3.47Å; E436-L440 PolarHBondContact O-N 2.83Å; L437-L440 PolarHBondContact O-N 3.17Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.26Å; L440-S443 PolarHBondContact O-N 2.87Å; L440-S443 VanDerWaalsContact O-N 3.16Å; L440-S443 PolarHBondContact O-OG 3.36Å
441	L	97.2	Very high	95.6	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-34.1	179.9	-63.4	-174.7	0	0	0	112.6	L302 L303 F375 V406 I427 L437 F439	L302-L441 HydrophobicContact CD1-CB 4.44Å; L303-L441 HydrophobicContact CB-CD1 4.08Å; L303-L441 HydrophobicContact CD1-CD1 4.09Å; L303-L441 HydrophobicContact CD2-CD1 4.26Å; L303-L441 HydrophobicContact CG-CD1 4.38Å; F375-L441 HydrophobicContact CB-CD1 4.19Å; F375-L441 HydrophobicContact CB-CD2 4.44Å; F375-L441 HydrophobicContact CD1-CD2 3.93Å; F375-L441 HydrophobicContact CD2-CB 4.05Å; F375-L441 HydrophobicContact CD2-CD1 3.96Å; F375-L441 HydrophobicContact CD2-CD2 3.96Å; F375-L441 HydrophobicContact CD2-CG 4.2Å; F375-L441 HydrophobicContact CE1-CD2 4.2Å; F375-L441 HydrophobicContact CE2-CB 3.98Å; F375-L441 HydrophobicContact CE2-CD2 4.2Å; F375-L441 HydrophobicContact CE2-CG 4.49Å; F375-L441 HydrophobicContact CG-CD1 4.15Å; F375-L441 HydrophobicContact CG-CD2 3.84Å; F375-L441 HydrophobicContact CG-CG 4.46Å; F375-L441 HydrophobicContact CZ-CD2 4.33Å; V406-L441 HydrophobicContact CG2-CD2 3.74Å; I427-L441 HydrophobicContact CD1-CD2 4.06Å; L437-L441 HydrophobicContact CD1-CD1 3.85Å; L437-L441 HydrophobicContact CD1-CD2 4.02Å; L437-L441 HydrophobicContact CD1-CG 3.74Å; L437-L441 HydrophobicContact CG-CD1 4.19Å; L437-L441 HydrophobicContact CG-CG 4.37Å; L437-L441 WeakPolarHBondContact O-CG 3.13Å; L437-L441 PolarHBondContact O-N 3.1Å; F439-L441 PolarHBondContact O-N 2.96Å
442	R	95.5	Very high	96	Very high	119 Å²	119	58 Å²	58	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-76.5	-22.5	177.4	-72.9	-178.1	66	166.5	-1.9	113.9	L302 D337 H438 F439 L440 L444	L302-R442 HydrophobicContact CD2-CG 4.15Å; D337-R442 WeakPolarHBondContact OD2-CD 3.39Å; D337-R442 IonicContact OD2-CZ 2.69Å; D337-R442 IonicContact OD2-NE 3.63Å; D337-R442 IonicContact OD2-NH1 2.87Å; H438-R442 WeakPolarHBondContact O-CG 3.3Å; H438-R442 PolarHBondContact O-N 2.83Å; F439-R442 PolarHBondContact O-N 3.47Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.26Å; R442-L444 VanDerWaalsContact C-N 3.26Å; R442-L444 PolarHBondContact O-N 3.15Å
443	S	96.6	Very high	96.4	Very high	75 Å²	75	54.9 Å²	54.9	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-72.5	-18.2	-178.2	73.6	0	0	0	0	113.8	F439 L440	F439-S443 PolarHBondContact O-N 3.11Å; L440-S443 PolarHBondContact O-N 2.87Å; L440-S443 VanDerWaalsContact O-N 3.16Å; L440-S443 PolarHBondContact O-OG 3.36Å
444	L	97.5	Very high	96.5	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.168	27%	0.271	C	S	.	.	S	Bend	trans	-73.7	133.7	179.4	-64.8	172.6	0	0	0	111.7	R298 F375 I427 R442 I449	R298-L444 PolarHBondContact NH2-O 2.93Å; F375-L444 HydrophobicContact CE1-CD1 3.97Å; F375-L444 HydrophobicContact CZ-CD1 3.79Å; I427-L444 HydrophobicContact CD1-CD1 3.34Å; I427-L444 HydrophobicContact CG1-CD1 4.29Å; R442-L444 VanDerWaalsContact C-N 3.26Å; R442-L444 PolarHBondContact O-N 3.15Å; L444-I449 HydrophobicContact CB-CD1 4.3Å; L444-I449 HydrophobicContact CB-CG1 4.03Å
445	S	98	Very high	96.7	Very high	58 Å²	58	51.4 Å²	51.4	41%	0.406	27%	0.273	S	S	.	.			trans	-72.5	156.4	173.3	69.1	0	0	0	0	111.4	G447 E448 I449	S445-G447 PolarHBondContact O-N 3.44Å; S445-E448 VanDerWaalsContact CB-OE2 3.3Å; S445-E448 WeakPolarHBondContact CB-OE2 3.33Å; S445-E448 PolarHBondContact N-OE2 3.23Å; S445-E448 PolarHBondContact O-N 3.06Å; S445-E448 VanDerWaalsContact O-N 3.17Å; S445-E448 VanDerWaalsContact OG-CD 3.29Å; S445-E448 VanDerWaalsContact OG-CG 3.29Å; S445-E448 WeakPolarHBondContact OG-CG 3.38Å; S445-E448 PolarHBondContact OG-N 3.08Å; S445-E448 PolarHBondContact OG-OE2 2.94Å; S445-I449 WeakPolarHBondContact O-CG1 3.34Å; S445-I449 PolarHBondContact O-N 3.38Å
446	D	98	Very high	96.9	Very high	78 Å²	78	46.8 Å²	46.8	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-32.1	178.5	-72.2	-0.5	0	0	0	112.3	A297 R298 L450	A297-D446 HydrophobicContact CB-CB 3.58Å; R298-D446 IonicContact CZ-OD1 3.45Å; R298-D446 IonicContact NE-OD1 3.32Å; R298-D446 PolarHBondContact NE-OD1 3.22Å; R298-D446 IonicContact NH2-OD1 3.7Å; D446-L450 WeakPolarHBondContact O-CB 3.32Å; D446-L450 VanDerWaalsContact O-CG 3.28Å; D446-L450 WeakPolarHBondContact O-CG 3.49Å; D446-L450 PolarHBondContact O-N 2.89Å
447	G	97.2	Very high	97	Very high	46 Å²	46	43.8 Å²	43.8	47%	0.474	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-44.9	174.8	0	0	0	0	0	112.6	S445 L450 E451	S445-G447 PolarHBondContact O-N 3.44Å; G447-L450 PolarHBondContact O-N 2.92Å; G447-E451 PolarHBondContact O-N 2.86Å
448	E	98	Very high	96.9	Very high	97 Å²	97	44.1 Å²	44.1	45%	0.453	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-43.9	176.1	-71	163	129.9	0	0	111.4	S445 L450 E451 L452	S445-E448 VanDerWaalsContact CB-OE2 3.3Å; S445-E448 WeakPolarHBondContact CB-OE2 3.33Å; S445-E448 PolarHBondContact N-OE2 3.23Å; S445-E448 PolarHBondContact O-N 3.06Å; S445-E448 VanDerWaalsContact O-N 3.17Å; S445-E448 VanDerWaalsContact OG-CD 3.29Å; S445-E448 VanDerWaalsContact OG-CG 3.29Å; S445-E448 WeakPolarHBondContact OG-CG 3.38Å; S445-E448 PolarHBondContact OG-N 3.08Å; S445-E448 PolarHBondContact OG-OE2 2.94Å; E448-L450 PolarHBondContact O-N 3.45Å; E448-E451 PolarHBondContact O-N 3.31Å; E448-L452 WeakPolarHBondContact O-CB 3.39Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.3Å; E448-L452 PolarHBondContact O-N 3.45Å
449	I	98.5	Very high	97	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-45.8	177.2	-67.4	169.8	0	0	0	111	A297 R298 T374 F375 I404 L444 S445 L452 R453	A297-I449 HydrophobicContact CB-CB 4.41Å; A297-I449 HydrophobicContact CB-CG2 4.23Å; A297-I449 WeakPolarHBondContact O-CG2 3.45Å; R298-I449 HydrophobicContact CG-CD1 4.43Å; T374-I449 HydrophobicContact CG2-CD1 4.5Å; T374-I449 HydrophobicContact CG2-CG2 4.25Å; F375-I449 HydrophobicContact CZ-CD1 4.19Å; F375-I449 HydrophobicContact CZ-CG1 4.07Å; I404-I449 HydrophobicContact CD1-CB 4.34Å; I404-I449 HydrophobicContact CD1-CG2 3.8Å; L444-I449 HydrophobicContact CB-CD1 4.3Å; L444-I449 HydrophobicContact CB-CG1 4.03Å; S445-I449 WeakPolarHBondContact O-CG1 3.34Å; S445-I449 PolarHBondContact O-N 3.38Å; I449-L452 PolarHBondContact O-N 2.88Å; I449-R453 WeakPolarHBondContact O-CG 3.41Å; I449-R453 PolarHBondContact O-N 2.78Å
450	L	97.9	Very high	97	Very high	52 Å²	52	35.8 Å²	35.8	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-67.5	-38.3	179.8	-71.7	172.7	0	0	0	112.4	L294 T295 A297 D446 G447 E448 R453 R454	L294-L450 VanDerWaalsContact O-CD2 3.32Å; L294-L450 WeakPolarHBondContact O-CD2 3.32Å; T295-L450 HydrophobicContact CG2-CD2 4Å; A297-L450 HydrophobicContact CB-CD1 4.2Å; A297-L450 HydrophobicContact CB-CD2 4.14Å; A297-L450 HydrophobicContact CB-CG 3.83Å; D446-L450 WeakPolarHBondContact O-CB 3.32Å; D446-L450 VanDerWaalsContact O-CG 3.28Å; D446-L450 WeakPolarHBondContact O-CG 3.49Å; D446-L450 PolarHBondContact O-N 2.89Å; G447-L450 PolarHBondContact O-N 2.92Å; E448-L450 PolarHBondContact O-N 3.45Å; L450-R453 PolarHBondContact O-N 3.25Å; L450-R454 WeakPolarHBondContact O-CB 3.3Å; L450-R454 PolarHBondContact O-N 3.4Å
451	E	97	Very high	96.9	Very high	63 Å²	63	36.1 Å²	36.1	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-68.8	-40.6	175.6	-75.2	-61.3	137.1	0	0	112.1	G447 E448 R453 R454 N455 R787	G447-E451 PolarHBondContact O-N 2.86Å; E448-E451 PolarHBondContact O-N 3.31Å; E451-R453 VanDerWaalsContact C-N 3.33Å; E451-R453 PolarHBondContact O-N 2.89Å; E451-R454 PolarHBondContact O-N 3.12Å; E451-R454 IonicContact OE1-NE 2.99Å; E451-R454 PolarHBondContact OE1-NE 3.3Å; E451-R454 IonicContact OE2-CZ 3.26Å; E451-R454 IonicContact OE2-NE 3.65Å; E451-R454 PolarHBondContact OE2-NE 2.86Å; E451-R454 IonicContact OE2-NH2 3.29Å; E451-R454 PolarHBondContact OE2-NH2 3.13Å; E451-N455 WeakPolarHBondContact O-CB 3.47Å; E451-N455 VanDerWaalsContact O-CG 3.24Å; E451-N455 PolarHBondContact O-N 2.92Å; E451-N455 PolarHBondContact O-ND2 3.18Å; E451-N455 VanDerWaalsContact O-ND2 3.09Å; E451-R787 IonicContact OE1-CZ 3.87Å; E451-R787 IonicContact OE1-NE 3.32Å; E451-R787 PolarHBondContact OE1-NE 3.4Å; E451-R787 IonicContact OE1-NH2 3.83Å
452	L	98.3	Very high	96.8	Very high	21 Å²	21	36.4 Å²	36.4	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-56.8	-46.1	173	-74.2	172.5	0	0	0	111.4	I404 R424 I427 E448 I449 G456	I404-L452 HydrophobicContact CD1-CB 3.74Å; I404-L452 HydrophobicContact CD1-CD1 4.04Å; I404-L452 HydrophobicContact CG1-CB 4.12Å; I404-L452 HydrophobicContact CG2-CB 4.5Å; I404-L452 HydrophobicContact CG2-CD1 4.26Å; R424-L452 VanDerWaalsContact C-CD2 3.47Å; R424-L452 WeakPolarHBondContact O-CA 3.19Å; R424-L452 WeakPolarHBondContact O-CD2 3.46Å; I427-L452 HydrophobicContact CD1-CD1 4.47Å; I427-L452 HydrophobicContact CG1-CD1 4.34Å; E448-L452 WeakPolarHBondContact O-CB 3.39Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.3Å; E448-L452 PolarHBondContact O-N 3.45Å; I449-L452 PolarHBondContact O-N 2.88Å; L452-G456 PolarHBondContact O-N 3.46Å
453	R	97.6	Very high	96.8	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-42.9	176.6	-76.7	-172.9	-175.1	139.3	13.4	113.4	L294 P296 A297 T374 G402 I404 I449 L450 E451 G456 R457	L294-R453 HydrophobicContact CD2-CB 4.35Å; L294-R453 PolarHBondContact O-NH1 2.99Å; P296-R453 PolarHBondContact O-NH1 3.47Å; A297-R453 PolarHBondContact O-NH1 3.02Å; A297-R453 PolarHBondContact O-NH2 3.04Å; T374-R453 VanDerWaalsContact CG2-NH2 3.35Å; G402-R453 VanDerWaalsContact O-CD 3.23Å; G402-R453 WeakPolarHBondContact O-CD 3.4Å; G402-R453 WeakPolarHBondContact O-CG 3.42Å; G402-R453 PolarHBondContact O-NE 3.04Å; I404-R453 HydrophobicContact CD1-CG 4.05Å; I404-R453 HydrophobicContact CG1-CG 3.76Å; I449-R453 WeakPolarHBondContact O-CG 3.41Å; I449-R453 PolarHBondContact O-N 2.78Å; L450-R453 PolarHBondContact O-N 3.25Å; E451-R453 VanDerWaalsContact C-N 3.33Å; E451-R453 PolarHBondContact O-N 2.89Å; R453-G456 PolarHBondContact O-N 3.01Å; R453-R457 WeakPolarHBondContact O-CB 3.24Å; R453-R457 PolarHBondContact O-N 2.83Å
454	R	96	Very high	96.8	Very high	25 Å²	25	27.3 Å²	27.3	9%	0.094	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-50.4	179.1	-174.7	-176.1	72.2	93.6	3.2	110.1	L294 L450 E451 G456 R457 S458 H784	L294-R454 HydrophobicContact CD1-CB 4.19Å; L294-R454 HydrophobicContact CD1-CG 4.48Å; L450-R454 WeakPolarHBondContact O-CB 3.3Å; L450-R454 PolarHBondContact O-N 3.4Å; E451-R454 PolarHBondContact O-N 3.12Å; E451-R454 IonicContact OE1-NE 2.99Å; E451-R454 PolarHBondContact OE1-NE 3.3Å; E451-R454 IonicContact OE2-CZ 3.26Å; E451-R454 IonicContact OE2-NE 3.65Å; E451-R454 PolarHBondContact OE2-NE 2.86Å; E451-R454 IonicContact OE2-NH2 3.29Å; E451-R454 PolarHBondContact OE2-NH2 3.13Å; R454-G456 PolarHBondContact O-N 3.46Å; R454-R457 PolarHBondContact O-N 2.9Å; R454-S458 PolarHBondContact O-N 3.26Å; R454-S458 PolarHBondContact O-OG 2.8Å; R454-S458 VanDerWaalsContact O-OG 3.12Å; R454-H784 PolarHBondContact NH1-O 2.93Å
455	N	97.1	Very high	96.7	Very high	11 Å²	11	25.9 Å²	25.9	6%	0.059	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-43.8	177.6	-65.9	-32.9	0	0	0	111.5	R424 E451 R457 S458 F459	R424-N455 HydrophobicContact CB-CB 4.29Å; R424-N455 WeakPolarHBondContact O-CB 3.08Å; R424-N455 PolarHBondContact O-ND2 3.08Å; E451-N455 WeakPolarHBondContact O-CB 3.47Å; E451-N455 VanDerWaalsContact O-CG 3.24Å; E451-N455 PolarHBondContact O-N 2.92Å; E451-N455 PolarHBondContact O-ND2 3.18Å; E451-N455 VanDerWaalsContact O-ND2 3.09Å; N455-R457 PolarHBondContact O-N 3.03Å; N455-S458 PolarHBondContact O-N 3.33Å; N455-F459 WeakPolarHBondContact O-CD1 3.33Å; N455-F459 WeakPolarHBondContact O-CG 3.46Å; N455-F459 PolarHBondContact O-N 2.98Å
456	G	97.4	Very high	96.6	Very high	2 Å²	2	25 Å²	25	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-46.3	175.3	0	0	0	0	0	112.6	L452 R453 R454 S458 F459 W460	L452-G456 PolarHBondContact O-N 3.46Å; R453-G456 PolarHBondContact O-N 3.01Å; R454-G456 PolarHBondContact O-N 3.46Å; G456-S458 VanDerWaalsContact C-N 3.34Å; G456-S458 PolarHBondContact O-N 3.4Å; G456-F459 PolarHBondContact O-N 3.38Å; G456-W460 PolarHBondContact O-N 2.94Å
457	R	95.2	Very high	96.5	Very high	13 Å²	13	21.6 Å²	21.6	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-44.2	174.6	179.9	71.6	74.1	-159.5	1.7	111.5	P292 L294 R453 R454 N455 W460 Q461	P292-R457 PolarHBondContact O-NH2 3.46Å; L294-R457 HydrophobicContact CD2-CB 4.28Å; R453-R457 WeakPolarHBondContact O-CB 3.24Å; R453-R457 PolarHBondContact O-N 2.83Å; R454-R457 PolarHBondContact O-N 2.9Å; N455-R457 PolarHBondContact O-N 3.03Å; R457-W460 PolarHBondContact O-N 3.48Å; R457-Q461 WeakPolarHBondContact O-CB 3.47Å; R457-Q461 PolarHBondContact O-N 2.84Å
458	S	94.6	Very high	96.4	Very high	8 Å²	8	21.3 Å²	21.3	6%	0.056	11%	0.105	C	C	.	.	H	α-helix	trans	-63.9	-43.5	177.7	-64.9	0	0	0	0	112.1	R454 N455 G456 W460 Q461 Q462	R454-S458 PolarHBondContact O-N 3.26Å; R454-S458 PolarHBondContact O-OG 2.8Å; R454-S458 VanDerWaalsContact O-OG 3.12Å; N455-S458 PolarHBondContact O-N 3.33Å; G456-S458 VanDerWaalsContact C-N 3.34Å; G456-S458 PolarHBondContact O-N 3.4Å; S458-W460 VanDerWaalsContact C-N 3.31Å; S458-W460 PolarHBondContact O-N 2.82Å; S458-Q461 PolarHBondContact O-N 2.73Å; S458-Q462 WeakPolarHBondContact O-CB 3.02Å; S458-Q462 WeakPolarHBondContact O-CG 3.33Å; S458-Q462 PolarHBondContact O-N 3.08Å
459	F	97.4	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-44.9	175	-72.9	1.6	0	0	0	110.8	L420 A425 N455 G456 Y463 M464 N550	L420-F459 HydrophobicContact CB-CE2 4.35Å; L420-F459 HydrophobicContact CD1-CD2 4.48Å; A425-F459 HydrophobicContact CB-CD2 4Å; A425-F459 HydrophobicContact CB-CE2 4.14Å; N455-F459 WeakPolarHBondContact O-CD1 3.33Å; N455-F459 WeakPolarHBondContact O-CG 3.46Å; N455-F459 PolarHBondContact O-N 2.98Å; G456-F459 PolarHBondContact O-N 3.38Å; F459-Y463 HydrophobicContact CB-CD2 4.2Å; F459-Y463 HydrophobicContact CD1-CD2 4.27Å; F459-Y463 AromaticContact CD1-CE2 3.94Å; F459-Y463 HydrophobicContact CD1-CE2 3.94Å; F459-Y463 HydrophobicContact CE1-CE2 4.47Å; F459-Y463 HydrophobicContact CG-CD2 4.42Å; F459-Y463 VanDerWaalsContact O-CB 3.29Å; F459-Y463 WeakPolarHBondContact O-CB 2.87Å; F459-Y463 WeakPolarHBondContact O-CD2 3.41Å; F459-Y463 PolarHBondContact O-N 3.08Å; F459-M464 VanDerWaalsContact C-CE 3.41Å; F459-M464 HydrophobicContact CB-CE 3.73Å; F459-N550 WeakPolarHBondContact CZ-OD1 3.22Å
460	W	96.5	Very high	96.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.015	10%	0.101	C	C	.	.	I	π-helix	trans	-58.2	-54.6	176.4	171.7	75	0	0	0	111.8	G285 L291 V399 K400 G456 R457 S458 Q462 M464 C465	G285-W460 WeakPolarHBondContact O-CZ2 3.42Å; L291-W460 HydrophobicContact CD1-CH2 3.72Å; L291-W460 HydrophobicContact CD1-CZ3 3.53Å; L291-W460 HydrophobicContact CD2-CH2 4.49Å; V399-W460 HydrophobicContact CG2-CB 3.94Å; K400-W460 HydrophobicContact CB-CD2 4.04Å; K400-W460 HydrophobicContact CB-CG 4.06Å; K400-W460 HydrophobicContact CB-CZ2 4.41Å; K400-W460 HydrophobicContact CD-CZ2 3.65Å; K400-W460 HydrophobicContact CG-CD2 4.2Å; K400-W460 HydrophobicContact CG-CH2 4.33Å; K400-W460 HydrophobicContact CG-CZ2 3.72Å; G456-W460 PolarHBondContact O-N 2.94Å; R457-W460 PolarHBondContact O-N 3.48Å; S458-W460 VanDerWaalsContact C-N 3.31Å; S458-W460 PolarHBondContact O-N 2.82Å; W460-Q462 PolarHBondContact O-N 2.87Å; W460-M464 HydrophobicContact CB-CE 4.27Å; W460-M464 HydrophobicContact CB-CG 4.37Å; W460-M464 CarbonylContact O-C 3.59Å; W460-M464 PolarHBondContact O-N 2.99Å; W460-C465 HydrophobicContact CD2-CB 4.1Å; W460-C465 HydrophobicContact CH2-CB 4.2Å; W460-C465 HydrophobicContact CZ2-CB 3.76Å; W460-C465 WeakPolarHBondContact O-CB 3.32Å; W460-C465 PolarHBondContact O-N 3.02Å
461	Q	93.6	Very high	96.2	Very high	43 Å²	43	18.9 Å²	18.9	20%	0.201	9%	0.088	C	C	.	.	I	π-helix	trans	-64.5	-38	-174.4	-173.3	176.3	0.5	0	0	113	R457 S458 C465	R457-Q461 WeakPolarHBondContact O-CB 3.47Å; R457-Q461 PolarHBondContact O-N 2.84Å; S458-Q461 PolarHBondContact O-N 2.73Å; Q461-C465 PolarHBondContact O-SG 3.25Å
462	Q	93.8	Very high	96.1	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.047	8%	0.08	C	C	.	.	I	π-helix	trans	-89.3	-30	-174.4	-63.3	-60.3	-26.3	0	0	113.3	S458 W460 V553 W758	S458-Q462 WeakPolarHBondContact O-CB 3.02Å; S458-Q462 WeakPolarHBondContact O-CG 3.33Å; S458-Q462 PolarHBondContact O-N 3.08Å; W460-Q462 PolarHBondContact O-N 2.87Å; Q462-V553 HydrophobicContact CB-CG1 3.58Å; Q462-V553 HydrophobicContact CG-CB 4.34Å; Q462-V553 HydrophobicContact CG-CG1 3.58Å; Q462-W758 VanDerWaalsContact NE2-NE1 3.19Å
463	Y	97.4	Very high	96.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-113.1	-26.1	-170.2	-56.7	-52.8	0	0	0	115.3	L420 F459 R469 I470 T473 W549 V553 P555 F556	L420-Y463 HydrophobicContact CD1-CD2 3.73Å; L420-Y463 HydrophobicContact CD1-CE2 4.32Å; L420-Y463 HydrophobicContact CD1-CG 4.29Å; L420-Y463 HydrophobicContact CD2-CD2 3.68Å; L420-Y463 HydrophobicContact CD2-CE2 3.39Å; L420-Y463 HydrophobicContact CD2-CG 4.45Å; L420-Y463 HydrophobicContact CG-CD2 4.38Å; F459-Y463 HydrophobicContact CB-CD2 4.2Å; F459-Y463 HydrophobicContact CD1-CD2 4.27Å; F459-Y463 AromaticContact CD1-CE2 3.94Å; F459-Y463 HydrophobicContact CD1-CE2 3.94Å; F459-Y463 HydrophobicContact CE1-CE2 4.47Å; F459-Y463 HydrophobicContact CG-CD2 4.42Å; F459-Y463 VanDerWaalsContact O-CB 3.29Å; F459-Y463 WeakPolarHBondContact O-CB 2.87Å; F459-Y463 WeakPolarHBondContact O-CD2 3.41Å; F459-Y463 PolarHBondContact O-N 3.08Å; Y463-R469 CarbonylContact O-C 3.56Å; Y463-I470 PolarHBondContact O-N 3.17Å; Y463-T473 WeakPolarHBondContact CA-OG1 3.35Å; Y463-T473 HydrophobicContact CD1-CG2 3.8Å; Y463-T473 HydrophobicContact CG-CG2 4.26Å; Y463-T473 PolarHBondContact O-OG1 3.08Å; Y463-W549 HydrophobicContact CD1-CZ3 4.18Å; Y463-W549 AromaticContact CE1-CE3 3.77Å; Y463-W549 HydrophobicContact CE1-CE3 3.77Å; Y463-W549 AromaticContact CE1-CZ3 3.75Å; Y463-W549 HydrophobicContact CE1-CZ3 3.75Å; Y463-W549 AromaticContact CZ-CE3 3.9Å; Y463-W549 PolarHBondContact OH-O 2.95Å; Y463-V553 HydrophobicContact CD2-CG1 4.39Å; Y463-V553 HydrophobicContact CE1-CG1 4.46Å; Y463-V553 HydrophobicContact CE2-CG1 3.44Å; Y463-V553 VanDerWaalsContact CE2-CG1 3.44Å; Y463-V553 VanDerWaalsContact CZ-CG1 3.48Å; Y463-V553 WeakPolarHBondContact OH-CA 3.35Å; Y463-V553 VanDerWaalsContact OH-CG1 3.28Å; Y463-V553 WeakPolarHBondContact OH-CG1 3.44Å; Y463-P555 HydrophobicContact CE1-CG 3.95Å; Y463-F556 HydrophobicContact CD1-CE1 4.4Å; Y463-F556 AromaticContact CD1-CZ 3.68Å; Y463-F556 HydrophobicContact CD1-CZ 3.68Å; Y463-F556 HydrophobicContact CE1-CE1 4.32Å; Y463-F556 HydrophobicContact CE1-CE2 4.15Å; Y463-F556 AromaticContact CE1-CZ 3.58Å; Y463-F556 HydrophobicContact CE1-CZ 3.58Å
464	M	96.2	Very high	96	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.02	7%	0.074	C	C	.	.	I	π-helix	trans	-145.5	6.5	-164.5	58.5	-174.9	139.9	0	0	116.2	P275 V396 V399 W422 F459 W460 N466 I470	P275-M464 HydrophobicContact CB-CB 4.42Å; P275-M464 HydrophobicContact CG-CB 3.59Å; V396-M464 HydrophobicContact CG2-SD 3.81Å; V399-M464 HydrophobicContact CG2-CE 3.86Å; V399-M464 HydrophobicContact CG2-SD 4.44Å; W422-M464 HydrophobicContact CH2-CE 3.78Å; W422-M464 HydrophobicContact CH2-SD 4.49Å; W422-M464 HydrophobicContact CZ2-CE 4.14Å; F459-M464 VanDerWaalsContact C-CE 3.41Å; F459-M464 HydrophobicContact CB-CE 3.73Å; W460-M464 HydrophobicContact CB-CE 4.27Å; W460-M464 HydrophobicContact CB-CG 4.37Å; W460-M464 CarbonylContact O-C 3.59Å; W460-M464 PolarHBondContact O-N 2.99Å; M464-N466 VanDerWaalsContact C-N 3.28Å; M464-N466 PolarHBondContact O-N 2.83Å; M464-I470 HydrophobicContact CB-CG1 4.28Å
465	C	94.7	Very high	96	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.014	7%	0.069	C	C	.	.	S	Bend	trans	-66.3	-27.9	-175.4	61.1	0	0	0	0	113.7	G285 C286 W460 Q461	G285-C465 CarbonylContact C-O 3.56Å; G285-C465 PolarHBondContact N-O 3.07Å; C286-C465 HydrophobicContact CB-CB 3.85Å; C286-C465 WeakPolarHBondContact CB-SG 3.4Å; C286-C465 WeakPolarHBondContact SG-CB 3.31Å; C286-C465 CovalentContact SG-SG 2.04Å; C286-C465 PolarHBondContact SG-SG 3.4Å; W460-C465 HydrophobicContact CD2-CB 4.1Å; W460-C465 HydrophobicContact CH2-CB 4.2Å; W460-C465 HydrophobicContact CZ2-CB 3.76Å; W460-C465 WeakPolarHBondContact O-CB 3.32Å; W460-C465 PolarHBondContact O-N 3.02Å; Q461-C465 PolarHBondContact O-SG 3.25Å
466	N	95.3	Very high	95.9	Very high	40 Å²	40	14.6 Å²	14.6	21%	0.214	7%	0.07	C	C	.	.	S	Bend	trans	-149	174.4	175.2	69.8	9.4	0	0	0	111.4	S280 C286 M464 D468 R469 I470	S280-N466 WeakPolarHBondContact OG-CA 3.39Å; C286-N466 PolarHBondContact SG-ND2 3.49Å; C286-N466 VanDerWaalsContact SG-ND2 3.44Å; M464-N466 VanDerWaalsContact C-N 3.28Å; M464-N466 PolarHBondContact O-N 2.83Å; N466-D468 VanDerWaalsContact C-N 3.27Å; N466-D468 PolarHBondContact O-N 2.75Å; N466-D468 PolarHBondContact OD1-N 3.35Å; N466-R469 PolarHBondContact O-N 3.44Å; N466-R469 WeakPolarHBondContact OD1-CG 3.45Å; N466-R469 PolarHBondContact OD1-N 2.67Å; N466-I470 WeakPolarHBondContact O-CG1 3.22Å; N466-I470 PolarHBondContact O-N 2.81Å; N466-I470 VanDerWaalsContact O-N 3.1Å
467	T	95.9	Very high	95.8	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.031	7%	0.069	C	C	.	.	H	α-helix	trans	-58.1	-39.7	-177.9	-45.5	0	0	0	0	112.1	K191 V192 L277 S280 V281 R469 I470 V471	K191-T467 HydrophobicContact CG-CG2 3.94Å; V192-T467 HydrophobicContact CG2-CG2 4.08Å; L277-T467 HydrophobicContact CD2-CG2 4.01Å; S280-T467 PolarHBondContact OG-N 2.99Å; V281-T467 HydrophobicContact CG2-CG2 4.38Å; V281-T467 WeakPolarHBondContact CG2-OG1 3.38Å; T467-R469 PolarHBondContact O-N 3.34Å; T467-I470 PolarHBondContact O-N 2.89Å; T467-V471 HydrophobicContact CG2-CG2 4.43Å; T467-V471 WeakPolarHBondContact O-CG2 3.4Å; T467-V471 PolarHBondContact O-N 2.82Å
468	D	95.5	Very high	95.7	Very high	41 Å²	41	13.9 Å²	13.9	22%	0.219	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-44.1	179.7	-64	-53.4	0	0	0	112.3	S195 N466 V471 V472	S195-D468 WeakPolarHBondContact CB-OD1 3.42Å; S195-D468 WeakPolarHBondContact OG-CA 3.4Å; S195-D468 PolarHBondContact OG-OD1 3.07Å; N466-D468 VanDerWaalsContact C-N 3.27Å; N466-D468 PolarHBondContact O-N 2.75Å; N466-D468 PolarHBondContact OD1-N 3.35Å; D468-V471 PolarHBondContact O-N 2.96Å; D468-V472 WeakPolarHBondContact O-CB 3.35Å; D468-V472 VanDerWaalsContact O-CG2 3.27Å; D468-V472 WeakPolarHBondContact O-CG2 3.35Å; D468-V472 PolarHBondContact O-N 3.39Å
469	R	95.6	Very high	95.5	Very high	100 Å²	100	14 Å²	14	38%	0.377	7%	0.066	S	C	.	.	H	α-helix	trans	-65.1	-39.1	175.9	-68	-59	-177.7	-178.4	-2.6	112.1	Y463 N466 T467 T473	Y463-R469 CarbonylContact O-C 3.56Å; N466-R469 PolarHBondContact O-N 3.44Å; N466-R469 WeakPolarHBondContact OD1-CG 3.45Å; N466-R469 PolarHBondContact OD1-N 2.67Å; T467-R469 PolarHBondContact O-N 3.34Å; R469-T473 WeakPolarHBondContact O-CB 3.48Å; R469-T473 PolarHBondContact O-N 2.97Å; R469-T473 PolarHBondContact O-OG1 2.82Å
470	I	97.7	Very high	95.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-62.8	-48.6	177.5	-64.8	167.6	0	0	0	110.6	P275 L277 S280 F416 Y463 M464 N466 T467 T473 A474	P275-I470 HydrophobicContact CB-CD1 3.85Å; P275-I470 HydrophobicContact CB-CG1 4.32Å; P275-I470 HydrophobicContact CG-CD1 4.15Å; P275-I470 HydrophobicContact CG-CG1 4.06Å; L277-I470 HydrophobicContact CD2-CB 4.19Å; L277-I470 HydrophobicContact CD2-CD1 4.28Å; L277-I470 HydrophobicContact CD2-CG2 3.7Å; S280-I470 VanDerWaalsContact OG-CD1 3.32Å; S280-I470 WeakPolarHBondContact OG-CD1 3.47Å; F416-I470 HydrophobicContact CZ-CG2 4.19Å; Y463-I470 PolarHBondContact O-N 3.17Å; M464-I470 HydrophobicContact CB-CG1 4.28Å; N466-I470 WeakPolarHBondContact O-CG1 3.22Å; N466-I470 PolarHBondContact O-N 2.81Å; N466-I470 VanDerWaalsContact O-N 3.1Å; T467-I470 PolarHBondContact O-N 2.89Å; I470-T473 PolarHBondContact O-N 2.9Å; I470-A474 WeakPolarHBondContact O-CB 3.44Å; I470-A474 PolarHBondContact O-N 3.4Å
471	V	96.7	Very high	95	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-48.4	-179.6	169.9	0	0	0	0	111.3	V192 L196 F238 T467 D468 T473 A474 L475	V192-V471 HydrophobicContact CB-CG2 4.49Å; V192-V471 HydrophobicContact CG1-CG2 3.93Å; V192-V471 HydrophobicContact CG2-CG2 4.42Å; L196-V471 HydrophobicContact CD2-CG1 3.45Å; L196-V471 VanDerWaalsContact CD2-CG1 3.45Å; L196-V471 HydrophobicContact CG-CG1 3.78Å; F238-V471 HydrophobicContact CE1-CG2 4.34Å; F238-V471 HydrophobicContact CZ-CB 4.49Å; F238-V471 HydrophobicContact CZ-CG1 4.16Å; F238-V471 HydrophobicContact CZ-CG2 4.4Å; T467-V471 HydrophobicContact CG2-CG2 4.43Å; T467-V471 WeakPolarHBondContact O-CG2 3.4Å; T467-V471 PolarHBondContact O-N 2.82Å; D468-V471 PolarHBondContact O-N 2.96Å; V471-T473 VanDerWaalsContact C-N 3.28Å; V471-T473 PolarHBondContact O-N 3.2Å; V471-A474 PolarHBondContact O-N 3.47Å; V471-L475 PolarHBondContact O-N 3.25Å; V471-L475 VanDerWaalsContact O-N 3.12Å
472	V	95.6	Very high	94.7	Very high	21 Å²	21	16.3 Å²	16.3	13%	0.127	8%	0.075	C	C	.	.	H	α-helix	trans	-61.2	-39.8	177.3	170.4	0	0	0	0	111	N199 F200 D468 N476 F556	N199-V472 HydrophobicContact CB-CG2 4.08Å; F200-V472 HydrophobicContact CE2-CG2 3.88Å; F200-V472 HydrophobicContact CZ-CB 4.47Å; F200-V472 HydrophobicContact CZ-CG1 4.49Å; F200-V472 HydrophobicContact CZ-CG2 4.21Å; D468-V472 WeakPolarHBondContact O-CB 3.35Å; D468-V472 VanDerWaalsContact O-CG2 3.27Å; D468-V472 WeakPolarHBondContact O-CG2 3.35Å; D468-V472 PolarHBondContact O-N 3.39Å; V472-N476 WeakPolarHBondContact O-CB 3.48Å; V472-N476 PolarHBondContact O-N 3.13Å; V472-N476 VanDerWaalsContact O-N 3.07Å; V472-N476 PolarHBondContact O-ND2 2.88Å; V472-F556 HydrophobicContact CG1-CD1 3.98Å; V472-F556 HydrophobicContact CG1-CE1 4.13Å
473	T	97.5	Very high	94.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-51.5	177.6	-61.2	0	0	0	0	111.1	F416 Y463 R469 I470 V471 L475 N476 V477 W549	F416-T473 HydrophobicContact CD1-CG2 4.23Å; F416-T473 HydrophobicContact CD2-CG2 3.62Å; F416-T473 HydrophobicContact CE1-CG2 4.15Å; F416-T473 HydrophobicContact CE2-CG2 3.51Å; F416-T473 HydrophobicContact CG-CG2 3.97Å; F416-T473 HydrophobicContact CZ-CG2 3.79Å; Y463-T473 WeakPolarHBondContact CA-OG1 3.35Å; Y463-T473 HydrophobicContact CD1-CG2 3.8Å; Y463-T473 HydrophobicContact CG-CG2 4.26Å; Y463-T473 PolarHBondContact O-OG1 3.08Å; R469-T473 WeakPolarHBondContact O-CB 3.48Å; R469-T473 PolarHBondContact O-N 2.97Å; R469-T473 PolarHBondContact O-OG1 2.82Å; I470-T473 PolarHBondContact O-N 2.9Å; V471-T473 VanDerWaalsContact C-N 3.28Å; V471-T473 PolarHBondContact O-N 3.2Å; T473-L475 VanDerWaalsContact C-N 3.28Å; T473-L475 PolarHBondContact O-N 2.89Å; T473-N476 CarbonylContact O-C 3.25Å; T473-N476 WeakPolarHBondContact O-CA 3.35Å; T473-N476 PolarHBondContact O-N 3.19Å; T473-V477 HydrophobicContact CG2-CG2 4.17Å; T473-V477 WeakPolarHBondContact O-CG2 3.49Å; T473-V477 PolarHBondContact O-N 2.99Å; T473-W549 HydrophobicContact CG2-CZ3 4.05Å
474	A	97	Very high	93.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-54.1	-44.4	179.5	0	0	0	0	0	112.1	F236 F238 M272 F416 I470 V471 N476 V477 L478	F236-A474 HydrophobicContact CZ-CB 4.36Å; F238-A474 HydrophobicContact CE1-CB 3.69Å; F238-A474 HydrophobicContact CZ-CB 3.91Å; M272-A474 HydrophobicContact SD-CB 3.87Å; F416-A474 HydrophobicContact CE1-CB 4.02Å; F416-A474 HydrophobicContact CZ-CB 4.4Å; I470-A474 WeakPolarHBondContact O-CB 3.44Å; I470-A474 PolarHBondContact O-N 3.4Å; V471-A474 PolarHBondContact O-N 3.47Å; A474-N476 PolarHBondContact O-N 2.79Å; A474-V477 PolarHBondContact O-N 2.76Å; A474-L478 PolarHBondContact O-N 3.35Å
475	L	95.1	Very high	93.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.8	-31.7	176.5	-68.9	-174.7	0	0	0	113.5	F173 L196 F200 I212 F238 V471 T473 L478 R479	F173-L475 HydrophobicContact CE1-CB 4.46Å; L196-L475 HydrophobicContact CD2-CD1 3.54Å; L196-L475 HydrophobicContact CD2-CG 4.44Å; F200-L475 HydrophobicContact CD1-CD1 3.97Å; F200-L475 HydrophobicContact CD2-CD1 3.62Å; F200-L475 HydrophobicContact CE1-CB 4.15Å; F200-L475 HydrophobicContact CE1-CD1 3.81Å; F200-L475 HydrophobicContact CE2-CB 4.49Å; F200-L475 HydrophobicContact CE2-CD1 3.47Å; F200-L475 VanDerWaalsContact CE2-CD1 3.47Å; F200-L475 HydrophobicContact CE2-CG 4.48Å; F200-L475 HydrophobicContact CG-CD1 3.88Å; F200-L475 HydrophobicContact CZ-CB 3.87Å; F200-L475 HydrophobicContact CZ-CD1 3.56Å; F200-L475 HydrophobicContact CZ-CG 4.31Å; I212-L475 HydrophobicContact CD1-CD2 3.57Å; I212-L475 HydrophobicContact CG1-CD2 4.2Å; F238-L475 HydrophobicContact CE2-CD2 4.47Å; F238-L475 HydrophobicContact CZ-CD2 4.49Å; F238-L475 HydrophobicContact CZ-CG 4.47Å; V471-L475 PolarHBondContact O-N 3.25Å; V471-L475 VanDerWaalsContact O-N 3.12Å; T473-L475 VanDerWaalsContact C-N 3.28Å; T473-L475 PolarHBondContact O-N 2.89Å; L475-L478 HydrophobicContact CD2-CD2 4.25Å; L475-L478 PolarHBondContact O-N 2.84Å; L475-R479 WeakPolarHBondContact O-CB 3.34Å; L475-R479 PolarHBondContact O-N 2.81Å
476	N	94.4	Very high	93	Very high	13 Å²	13	18.5 Å²	18.5	7%	0.07	9%	0.094	C	C	.	.	H	α-helix	trans	-73.7	-31.5	173.4	-85.8	-85.1	0	0	0	113	V472 T473 A474 R479 H480 W549 F556	V472-N476 WeakPolarHBondContact O-CB 3.48Å; V472-N476 PolarHBondContact O-N 3.13Å; V472-N476 VanDerWaalsContact O-N 3.07Å; V472-N476 PolarHBondContact O-ND2 2.88Å; T473-N476 CarbonylContact O-C 3.25Å; T473-N476 WeakPolarHBondContact O-CA 3.35Å; T473-N476 PolarHBondContact O-N 3.19Å; A474-N476 PolarHBondContact O-N 2.79Å; N476-R479 PolarHBondContact OD1-NE 2.86Å; N476-R479 VanDerWaalsContact OD1-NE 3.1Å; N476-R479 PolarHBondContact OD1-NH2 3.36Å; N476-H480 WeakPolarHBondContact O-CB 3.38Å; N476-H480 PolarHBondContact O-N 3.14Å; N476-W549 HydrophobicContact CB-CH2 3.89Å; N476-W549 HydrophobicContact CB-CZ2 4.31Å; N476-F556 HydrophobicContact CB-CD1 4.15Å; N476-F556 HydrophobicContact CB-CE1 4.47Å
477	V	95.5	Very high	92.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-43.1	170.7	-178.7	0	0	0	0	110	M272 F416 E418 V419 T473 A474 H480 R481 W549	M272-V477 HydrophobicContact CE-CB 3.8Å; M272-V477 HydrophobicContact CE-CG1 3.67Å; M272-V477 HydrophobicContact SD-CB 4.32Å; M272-V477 HydrophobicContact SD-CG1 4.42Å; F416-V477 HydrophobicContact CB-CG2 4.42Å; F416-V477 HydrophobicContact CD1-CG2 4.02Å; F416-V477 HydrophobicContact CG-CG2 4.4Å; E418-V477 HydrophobicContact CG-CG1 3.81Å; E418-V477 WeakPolarHBondContact OE1-CG1 3.42Å; V419-V477 HydrophobicContact CG1-CG1 4.28Å; V419-V477 HydrophobicContact CG2-CG1 4.36Å; V419-V477 HydrophobicContact CG2-CG2 3.68Å; T473-V477 HydrophobicContact CG2-CG2 4.17Å; T473-V477 WeakPolarHBondContact O-CG2 3.49Å; T473-V477 PolarHBondContact O-N 2.99Å; A474-V477 PolarHBondContact O-N 2.76Å; V477-H480 WeakPolarHBondContact O-CA 3.43Å; V477-H480 WeakPolarHBondContact O-CB 3.28Å; V477-H480 PolarHBondContact O-N 2.91Å; V477-H480 VanDerWaalsContact O-N 3.12Å; V477-R481 WeakPolarHBondContact O-CG 3.27Å; V477-R481 PolarHBondContact O-N 3.48Å; V477-W549 HydrophobicContact CB-CH2 4.49Å; V477-W549 HydrophobicContact CG2-CH2 3.54Å; V477-W549 HydrophobicContact CG2-CZ2 4.17Å; V477-W549 HydrophobicContact CG2-CZ3 3.99Å
478	L	93.3	Very high	92.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-49.7	172.9	177.5	61	0	0	0	111.7	W162 F173 V210 F236 I256 M272 A474 L475 H480 R481 L482	W162-L478 HydrophobicContact CH2-CD1 4.33Å; F173-L478 HydrophobicContact CZ-CD2 4.08Å; F173-L478 HydrophobicContact CZ-CG 4.21Å; V210-L478 HydrophobicContact CB-CD2 4.43Å; V210-L478 HydrophobicContact CG1-CD2 4.09Å; V210-L478 HydrophobicContact CG2-CD2 4.17Å; F236-L478 HydrophobicContact CB-CD2 3.84Å; F236-L478 HydrophobicContact CD2-CD1 4.28Å; F236-L478 HydrophobicContact CD2-CD2 3.79Å; F236-L478 HydrophobicContact CD2-CG 4.47Å; F236-L478 HydrophobicContact CG-CD2 3.89Å; I256-L478 HydrophobicContact CD1-CD1 3.37Å; M272-L478 HydrophobicContact CE-CB 4.38Å; A474-L478 PolarHBondContact O-N 3.35Å; L475-L478 HydrophobicContact CD2-CD2 4.25Å; L475-L478 PolarHBondContact O-N 2.84Å; L478-H480 PolarHBondContact O-N 3.1Å; L478-R481 WeakPolarHBondContact O-CB 3.38Å; L478-R481 PolarHBondContact O-N 3.45Å; L478-R481 VanDerWaalsContact O-N 3.11Å; L478-L482 WeakPolarHBondContact O-CG 3.5Å; L478-L482 PolarHBondContact O-N 3.3Å
479	R	91.6	Very high	91.8	Very high	10 Å²	10	20.7 Å²	20.7	4%	0.038	11%	0.113	C	C	.	.	H	α-helix	trans	-53.4	-41.9	173.2	-179.4	-171.7	56.8	73.3	-2.6	111.7	F173 L475 N476 L482 G483 I484 P486 P555	F173-R479 HydrophobicContact CB-CG 3.94Å; F173-R479 HydrophobicContact CD1-CB 3.94Å; F173-R479 HydrophobicContact CD1-CG 4.23Å; F173-R479 HydrophobicContact CD2-CB 4.27Å; F173-R479 HydrophobicContact CD2-CG 4.29Å; F173-R479 HydrophobicContact CE1-CB 4.15Å; F173-R479 HydrophobicContact CE2-CB 4.46Å; F173-R479 HydrophobicContact CG-CB 4Å; F173-R479 HydrophobicContact CG-CG 3.89Å; F173-R479 HydrophobicContact CZ-CB 4.4Å; L475-R479 WeakPolarHBondContact O-CB 3.34Å; L475-R479 PolarHBondContact O-N 2.81Å; N476-R479 PolarHBondContact OD1-NE 2.86Å; N476-R479 VanDerWaalsContact OD1-NE 3.1Å; N476-R479 PolarHBondContact OD1-NH2 3.36Å; R479-L482 PolarHBondContact O-N 2.89Å; R479-G483 PolarHBondContact O-N 2.79Å; R479-I484 HydrophobicContact CG-CB 3.84Å; R479-I484 HydrophobicContact CG-CG2 4.15Å; R479-I484 WeakPolarHBondContact CG-O 3.43Å; R479-I484 PolarHBondContact NH1-O 2.52Å; R479-I484 PolarHBondContact O-N 3.37Å; R479-P486 VanDerWaalsContact NH1-CD 3.32Å; R479-P555 PolarHBondContact NH2-O 3.39Å
480	H	92.2	Very high	91.5	Very high	47 Å²	47	20.4 Å²	20.4	22%	0.218	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-43.4	177.5	-178.6	56.5	0	0	0	112.4	V419 N476 V477 L478 L482 G483 V541 S545 W549	V419-H480 WeakPolarHBondContact CG1-CD2 3.34Å; N476-H480 WeakPolarHBondContact O-CB 3.38Å; N476-H480 PolarHBondContact O-N 3.14Å; V477-H480 WeakPolarHBondContact O-CA 3.43Å; V477-H480 WeakPolarHBondContact O-CB 3.28Å; V477-H480 PolarHBondContact O-N 2.91Å; V477-H480 VanDerWaalsContact O-N 3.12Å; L478-H480 PolarHBondContact O-N 3.1Å; H480-L482 PolarHBondContact O-N 3.39Å; H480-G483 PolarHBondContact O-N 3.14Å; H480-V541 PolarHBondContact CE1-O 3.07Å; H480-S545 VanDerWaalsContact CE1-CB 3.45Å; H480-S545 WeakPolarHBondContact CE1-CB 2.95Å; H480-S545 PolarHBondContact CE1-OG 3.41Å; H480-S545 PolarHBondContact NE2-OG 3.28Å; H480-W549 HydrophobicContact CB-CZ2 4.34Å
481	R	90.3	Very high	91.3	Very high	38 Å²	38	23.2 Å²	23.2	14%	0.143	13%	0.134	C	C	.	.	H	α-helix	trans	-55.6	-33.9	173.7	-69.8	-178	179.3	-163.5	2.5	112.2	F158 T269 H271 E418 V477 L478 G483	F158-R481 HydrophobicContact CE2-CB 4.39Å; F158-R481 HydrophobicContact CZ-CB 4.26Å; T269-R481 PolarHBondContact O-NH1 3.47Å; H271-R481 PolarHBondContact O-NH1 3.12Å; H271-R481 PolarHBondContact O-NH2 3.26Å; E418-R481 IonicContact OE1-CZ 2.74Å; E418-R481 IonicContact OE1-NE 2.66Å; E418-R481 PolarHBondContact OE1-NE 2.95Å; E418-R481 IonicContact OE1-NH2 3.51Å; E418-R481 PolarHBondContact OE1-NH2 2.82Å; E418-R481 IonicContact OE2-CZ 3.25Å; E418-R481 IonicContact OE2-NE 2.92Å; E418-R481 PolarHBondContact OE2-NE 3.07Å; E418-R481 IonicContact OE2-NH2 3.42Å; E418-R481 PolarHBondContact OE2-NH2 3.21Å; V477-R481 WeakPolarHBondContact O-CG 3.27Å; V477-R481 PolarHBondContact O-N 3.48Å; L478-R481 WeakPolarHBondContact O-CB 3.38Å; L478-R481 PolarHBondContact O-N 3.45Å; L478-R481 VanDerWaalsContact O-N 3.11Å; R481-G483 VanDerWaalsContact C-N 3.34Å
482	L	88	Confident	91.2	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.052	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.6	179.8	-57.3	179.5	0	0	0	114.1	F158 W162 Y164 F173 V210 L478 R479 H480 I484	F158-L482 HydrophobicContact CD1-CD2 4.11Å; F158-L482 HydrophobicContact CE1-CD2 3.98Å; W162-L482 HydrophobicContact CD2-CD2 4.22Å; W162-L482 VanDerWaalsContact CE2-CD2 3.46Å; W162-L482 HydrophobicContact CG-CD2 4.44Å; W162-L482 HydrophobicContact CZ2-CD1 3.84Å; W162-L482 HydrophobicContact CZ2-CD2 3.69Å; W162-L482 HydrophobicContact CZ2-CG 4.34Å; W162-L482 VanDerWaalsContact NE1-CD2 3.32Å; Y164-L482 HydrophobicContact CE1-CD2 4.32Å; F173-L482 HydrophobicContact CE2-CD1 3.97Å; V210-L482 HydrophobicContact CG2-CD1 4.11Å; L478-L482 WeakPolarHBondContact O-CG 3.5Å; L478-L482 PolarHBondContact O-N 3.3Å; R479-L482 PolarHBondContact O-N 2.89Å; H480-L482 PolarHBondContact O-N 3.39Å; L482-I484 HydrophobicContact CB-CD1 3.81Å; L482-I484 HydrophobicContact CB-CG1 3.99Å; L482-I484 HydrophobicContact CD1-CD1 4.1Å; L482-I484 PolarHBondContact O-N 2.98Å
483	G	87.1	Confident	91.1	Very high	33 Å²	33	30.4 Å²	30.4	34%	0.34	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	15.8	-179.1	0	0	0	0	0	114.5	R479 H480 R481	R479-G483 PolarHBondContact O-N 2.79Å; H480-G483 PolarHBondContact O-N 3.14Å; R481-G483 VanDerWaalsContact C-N 3.34Å
484	I	86.5	Confident	90.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-86.2	137.7	-176.5	-59.8	167.5	0	0	0	109.7	C167 F173 R479 L482	C167-I484 HydrophobicContact CB-CD1 4.12Å; F173-I484 HydrophobicContact CB-CG2 4Å; F173-I484 HydrophobicContact CD2-CD1 3.8Å; R479-I484 HydrophobicContact CG-CB 3.84Å; R479-I484 HydrophobicContact CG-CG2 4.15Å; R479-I484 WeakPolarHBondContact CG-O 3.43Å; R479-I484 PolarHBondContact NH1-O 2.52Å; R479-I484 PolarHBondContact O-N 3.37Å; L482-I484 HydrophobicContact CB-CD1 3.81Å; L482-I484 HydrophobicContact CB-CG1 3.99Å; L482-I484 HydrophobicContact CD1-CD1 4.1Å; L482-I484 PolarHBondContact O-N 2.98Å
485	Q	84.2	Confident	90.4	Very high	23 Å²	23	35.6 Å²	35.6	11%	0.107	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-68.7	147.1	178	-69.4	-67.1	-23.7	0	0	112	Y538 V541	Q485-Y538 HydrophobicContact CG-CD1 3.69Å; Q485-Y538 HydrophobicContact CG-CE1 4.31Å; Q485-Y538 PolarHBondContact NE2-O 3.41Å; Q485-V541 HydrophobicContact CG-CG2 4.33Å; Q485-V541 VanDerWaalsContact OE1-CG2 3.27Å
486	P	87.5	Confident	90.1	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.026	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.4	153.4	168.6	-0.2	13.2	0	0	0	110	R479 W548	R479-P486 VanDerWaalsContact NH1-CD 3.32Å; P486-W548 HydrophobicContact CG-CZ3 3.81Å
487	S	84.8	Confident	89.7	Confident	48 Å²	48	41 Å²	41	34%	0.336	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-61.6	143.8	172.4	-53.4	0	0	0	0	110.4	R557 L558	S487-R557 WeakPolarHBondContact O-CA 3.22Å; S487-R557 WeakPolarHBondContact O-CD 3.38Å; S487-L558 PolarHBondContact O-N 3.17Å
488	P	87.4	Confident	89.3	Confident	68 Å²	68	42.9 Å²	42.9	44%	0.442	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-51	146.6	171.2	-27.5	36.2	0	0	0	112.1	F534 R557 L558	P488-F534 HydrophobicContact CB-CE1 4.28Å; P488-F534 HydrophobicContact CB-CZ 3.92Å; P488-F534 HydrophobicContact CG-CZ 4.45Å; P488-R557 PolarHBondContact O-NH1 3.37Å; P488-R557 VanDerWaalsContact O-NH1 3.13Å; P488-L558 WeakPolarHBondContact CA-O 3.21Å
489	I	90.5	Very high	88.9	Confident	17 Å²	17	46.9 Å²	46.9	9%	0.087	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.2	144.3	168.9	-164	160.2	0	0	0	110	R557 L558 Y559 Y753 Y757	I489-R557 HydrophobicContact CB-CB 4.03Å; I489-R557 HydrophobicContact CD1-CB 4.41Å; I489-R557 HydrophobicContact CG1-CB 4.39Å; I489-L558 PolarHBondContact N-O 2.9Å; I489-Y559 HydrophobicContact CD1-CD1 4.03Å; I489-Y559 HydrophobicContact CD1-CE1 3.47Å; I489-Y559 VanDerWaalsContact CD1-CE1 3.47Å; I489-Y559 HydrophobicContact CG2-CD1 4.03Å; I489-Y753 HydrophobicContact CB-CD1 4.43Å; I489-Y753 HydrophobicContact CD1-CD1 3.78Å; I489-Y753 HydrophobicContact CD1-CG 4.06Å; I489-Y753 HydrophobicContact CG1-CD1 3.88Å; I489-Y753 HydrophobicContact CG1-CE1 4.38Å; I489-Y753 HydrophobicContact CG2-CD1 3.7Å; I489-Y753 HydrophobicContact CG2-CE1 3.58Å; I489-Y753 HydrophobicContact CG2-CE2 4.42Å; I489-Y753 HydrophobicContact CG2-CG 4.21Å; I489-Y757 HydrophobicContact CD1-CD2 3.79Å; I489-Y757 HydrophobicContact CD1-CE2 4.39Å; I489-Y757 HydrophobicContact CG1-CD2 4.08Å; I489-Y757 HydrophobicContact CG1-CE2 4.22Å
490	D	88.7	Confident	88.5	Confident	94 Å²	94	51.5 Å²	51.5	50%	0.503	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-84.2	129.9	-174.9	-56	-60.9	0	0	0	111.3	R557 Y757	D490-R557 IonicContact OD2-NH1 3.33Å; D490-R557 PolarHBondContact OD2-NH1 3.05Å; D490-Y757 VanDerWaalsContact O-CE2 3.24Å; D490-Y757 WeakPolarHBondContact O-CE2 3.44Å; D490-Y757 PolarHBondContact O-OH 2.86Å
491	D	92.9	Very high	88.2	Confident	59 Å²	59	54.8 Å²	54.8	32%	0.316	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.6	150.3	165	-78.8	-37.2	0	0	0	110.3	I493 A677 K749 Y753	D491-I493 PolarHBondContact O-N 3.35Å; D491-A677 HydrophobicContact CB-CB 3.85Å; D491-K749 IonicContact OD1-NZ 2.71Å; D491-K749 PolarHBondContact OD1-NZ 3.39Å; D491-K749 IonicContact OD2-NZ 3.25Å; D491-Y753 WeakPolarHBondContact OD1-CE1 3.13Å; D491-Y753 VanDerWaalsContact OD1-CZ 3.32Å; D491-Y753 PolarHBondContact OD1-OH 2.75Å
492	V	95.1	Very high	88	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.176	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-82.3	117	174.9	-177.7	0	0	0	0	108.7	V494 L674 P675 F676 A677 T756 Y757	V492-V494 HydrophobicContact CG1-CG2 3.79Å; V492-L674 HydrophobicContact CB-CB 4.45Å; V492-L674 HydrophobicContact CG1-CD1 4.45Å; V492-L674 HydrophobicContact CG2-CB 4.4Å; V492-L674 HydrophobicContact CG2-CD2 4.31Å; V492-P675 HydrophobicContact CG2-CG 4Å; V492-P675 PolarHBondContact N-O 3.27Å; V492-F676 WeakPolarHBondContact O-CA 3.16Å; V492-A677 PolarHBondContact O-N 2.9Å; V492-A677 VanDerWaalsContact O-N 3.12Å; V492-T756 HydrophobicContact CG2-CG2 4.49Å; V492-Y757 WeakPolarHBondContact CG2-OH 3.38Å
493	I	94.2	Very high	87.8	Confident	143 Å²	143	59.7 Å²	59.7	73%	0.733	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-89.9	117.8	173.7	-58.2	173.7	0	0	0	107.9	D491 A677	D491-I493 PolarHBondContact O-N 3.35Å; I493-A677 HydrophobicContact CG1-CB 4.41Å
494	V	91.9	Very high	87.8	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.055	36%	0.36	C	S	.	.			trans	-118.1	135.6	175.9	176.7	0	0	0	0	109.1	V492 Q496 L662 R663 P664 F676	V492-V494 HydrophobicContact CG1-CG2 3.79Å; V494-Q496 PolarHBondContact O-N 3.29Å; V494-L662 HydrophobicContact CB-CB 4.4Å; V494-L662 HydrophobicContact CG1-CB 4.01Å; V494-R663 VanDerWaalsContact CG1-O 3.3Å; V494-R663 WeakPolarHBondContact CG1-O 3.37Å; V494-P664 HydrophobicContact CG1-CG 4.27Å; V494-F676 HydrophobicContact CB-CD1 4.33Å; V494-F676 HydrophobicContact CB-CE1 4.3Å; V494-F676 HydrophobicContact CG2-CD1 3.82Å; V494-F676 HydrophobicContact CG2-CE1 3.63Å
495	P	86.8	Confident	87.8	Confident	101 Å²	101	62.2 Å²	62.2	66%	0.656	38%	0.377	S	S	*	.			trans	-54.9	127.4	174.9	-25.2	34.5	0	0	0	111.4	R663	P495-R663 PolarHBondContact O-N 2.83Å
496	Q	89.1	Confident	87.8	Confident	82 Å²	82	64.3 Å²	64.3	38%	0.383	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-72.3	133.1	169.7	-66.6	-177.8	14.2	0	0	108.9	V494 Y498 I660 L662 E678	V494-Q496 PolarHBondContact O-N 3.29Å; Q496-Y498 VanDerWaalsContact C-N 3.27Å; Q496-Y498 PolarHBondContact O-N 2.75Å; Q496-I660 HydrophobicContact CG-CG2 3.93Å; Q496-L662 HydrophobicContact CG-CD2 3.63Å; Q496-E678 PolarHBondContact NE2-OE1 3.38Å
497	M	86.3	Confident	87.5	Confident	43 Å²	43	66.7 Å²	66.7	21%	0.212	41%	0.408	C	S	.	.	S	Bend	trans	-67.6	-32.2	179.4	-175.5	159.3	-163.9	0	0	112.3	D646 P647 V661	M497-D646 HydrophobicContact CE-CB 3.8Å; M497-D646 WeakPolarHBondContact CE-OD1 3.19Å; M497-P647 HydrophobicContact CE-CG 3.94Å; M497-P647 WeakPolarHBondContact SD-CD 3.41Å; M497-P647 HydrophobicContact SD-CG 3.75Å; M497-V661 HydrophobicContact CB-CB 4.21Å; M497-V661 HydrophobicContact CB-CG1 4.05Å; M497-V661 PolarHBondContact N-O 2.77Å; M497-V661 HydrophobicContact SD-CG1 4.43Å
498	Y	87.1	Confident	87	Confident	40 Å²	40	70 Å²	70	16%	0.157	42%	0.422	C	S	.	.	S	Bend	trans	-117.7	133.9	177.4	-55.4	-77.8	0	0	0	109.3	Q496 A502 M504 W653 V661	Q496-Y498 VanDerWaalsContact C-N 3.27Å; Q496-Y498 PolarHBondContact O-N 2.75Å; Y498-A502 CarbonylContact C-O 3.57Å; Y498-A502 VanDerWaalsContact CA-O 3.29Å; Y498-A502 WeakPolarHBondContact CA-O 3.23Å; Y498-M504 HydrophobicContact CD1-CB 4.09Å; Y498-M504 HydrophobicContact CD2-CB 4.29Å; Y498-M504 HydrophobicContact CD2-CE 3.53Å; Y498-M504 HydrophobicContact CD2-CG 4.29Å; Y498-M504 HydrophobicContact CE2-CE 4.02Å; Y498-M504 HydrophobicContact CG-CB 3.83Å; Y498-M504 HydrophobicContact CG-CE 4.2Å; Y498-M504 HydrophobicContact CG-CG 4.29Å; Y498-W653 AromaticContact CE2-CE2 3.87Å; Y498-W653 AromaticContact CE2-CZ2 3.89Å; Y498-W653 HydrophobicContact CE2-CZ2 3.89Å; Y498-W653 AromaticContact CE2-NE1 3.68Å; Y498-W653 AromaticContact CZ-NE1 3.49Å; Y498-W653 PolarHBondContact OH-NE1 2.85Å; Y498-W653 VanDerWaalsContact OH-NE1 3.1Å; Y498-V661 HydrophobicContact CD2-CB 3.95Å; Y498-V661 HydrophobicContact CD2-CG2 3.96Å; Y498-V661 HydrophobicContact CE2-CB 4.01Å; Y498-V661 HydrophobicContact CE2-CG1 4.35Å; Y498-V661 HydrophobicContact CE2-CG2 3.87Å
499	N	85.1	Confident	86.2	Confident	84 Å²	84	68.8 Å²	68.8	45%	0.449	41%	0.411	S	S	.	.			trans	-147.9	-170.5	-178	65.9	24.1	0	0	0	110.6	S501 A502	N499-S501 PolarHBondContact O-N 3.24Å; N499-S501 WeakPolarHBondContact OD1-CA 3.45Å; N499-S501 WeakPolarHBondContact OD1-CB 3.33Å; N499-S501 PolarHBondContact OD1-N 3.35Å; N499-A502 PolarHBondContact N-O 3.44Å; N499-A502 CarbonylContact O-C 3.45Å; N499-A502 PolarHBondContact O-N 3.15Å; N499-A502 VanDerWaalsContact O-O 3.07Å; N499-A502 PolarHBondContact OD1-N 3.47Å
500	A	82.6	Confident	85.1	Confident	107 Å²	107	72.9 Å²	72.9	88%	0.884	44%	0.439	S	S	*	.	S	Bend	trans	-60.6	-30.6	179.6	0	0	0	0	0	113.7
501	S	87.1	Confident	84	Confident	117 Å²	117	69.9 Å²	69.9	82%	0.818	42%	0.424	S	S	*	.	S	Bend	trans	-83.6	-27.9	179.1	-53.7	0	0	0	0	112.8	N499	N499-S501 PolarHBondContact O-N 3.24Å; N499-S501 WeakPolarHBondContact OD1-CA 3.45Å; N499-S501 WeakPolarHBondContact OD1-CB 3.33Å; N499-S501 PolarHBondContact OD1-N 3.35Å
502	A	84.7	Confident	82.5	Confident	47 Å²	47	69.8 Å²	69.8	39%	0.388	43%	0.426	S	S	.	.	S	Bend	trans	-131	82.8	179.1	0	0	0	0	0	109.4	Y498 N499	Y498-A502 CarbonylContact C-O 3.57Å; Y498-A502 VanDerWaalsContact CA-O 3.29Å; Y498-A502 WeakPolarHBondContact CA-O 3.23Å; N499-A502 PolarHBondContact N-O 3.44Å; N499-A502 CarbonylContact O-C 3.45Å; N499-A502 PolarHBondContact O-N 3.15Å; N499-A502 VanDerWaalsContact O-O 3.07Å; N499-A502 PolarHBondContact OD1-N 3.47Å
503	P	85.2	Confident	80.5	Confident	103 Å²	103	72.9 Å²	72.9	67%	0.669	45%	0.445	S	S	*	.			trans	-68.2	147.3	-173.7	27.8	-34.6	0	0	0	111.8
504	M	86.3	Confident	78.5	Confident	33 Å²	33	67.4 Å²	67.4	16%	0.163	42%	0.417	C	S	.	.			trans	-66	126.6	176.2	-179.4	-179.2	-77.6	0	0	110.8	Y498 V506 W653 A658 P659 V661	Y498-M504 HydrophobicContact CD1-CB 4.09Å; Y498-M504 HydrophobicContact CD2-CB 4.29Å; Y498-M504 HydrophobicContact CD2-CE 3.53Å; Y498-M504 HydrophobicContact CD2-CG 4.29Å; Y498-M504 HydrophobicContact CE2-CE 4.02Å; Y498-M504 HydrophobicContact CG-CB 3.83Å; Y498-M504 HydrophobicContact CG-CE 4.2Å; Y498-M504 HydrophobicContact CG-CG 4.29Å; M504-V506 HydrophobicContact CB-CG1 4.32Å; M504-V506 HydrophobicContact CG-CG1 3.87Å; M504-V506 PolarHBondContact O-N 3.33Å; M504-V506 VanDerWaalsContact O-N 3.13Å; M504-V506 HydrophobicContact SD-CG1 3.97Å; M504-W653 HydrophobicContact CE-CD2 4.16Å; M504-W653 HydrophobicContact CE-CG 4.21Å; M504-W653 HydrophobicContact CG-CB 3.84Å; M504-W653 HydrophobicContact CG-CD2 4.43Å; M504-W653 HydrophobicContact CG-CG 3.61Å; M504-W653 HydrophobicContact SD-CB 3.49Å; M504-W653 WeakPolarHBondContact SD-CB 3.46Å; M504-W653 HydrophobicContact SD-CD2 4.06Å; M504-W653 HydrophobicContact SD-CG 3.53Å; M504-W653 VanDerWaalsContact SD-CG 3.53Å; M504-A658 HydrophobicContact SD-CB 4.04Å; M504-P659 HydrophobicContact CE-CG 4.38Å; M504-P659 WeakPolarHBondContact CE-O 3.26Å; M504-V661 HydrophobicContact CE-CG2 3.71Å
505	P	85.9	Confident	76.5	Confident	55 Å²	55	72.8 Å²	72.8	36%	0.357	45%	0.45	S	S	.	.			trans	-69.2	109.1	173	26.2	-31	0	0	0	109.6	L651 W653	P505-L651 WeakPolarHBondContact CG-O 3.14Å; P505-W653 PolarHBondContact O-N 3.16Å
506	V	85.4	Confident	74.8	Confident	68 Å²	68	73.2 Å²	73.2	41%	0.412	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.9	-176.1	-67.9	0	0	0	0	112.4	M504 W653 K655 A658	M504-V506 HydrophobicContact CB-CG1 4.32Å; M504-V506 HydrophobicContact CG-CG1 3.87Å; M504-V506 PolarHBondContact O-N 3.33Å; M504-V506 VanDerWaalsContact O-N 3.13Å; M504-V506 HydrophobicContact SD-CG1 3.97Å; V506-W653 CarbonylContact C-O 3.39Å; V506-W653 VanDerWaalsContact CA-O 3.26Å; V506-W653 WeakPolarHBondContact CA-O 3.28Å; V506-W653 HydrophobicContact CG1-CB 4.25Å; V506-K655 HydrophobicContact CB-CB 4.21Å; V506-K655 HydrophobicContact CG2-CG 4.38Å; V506-A658 HydrophobicContact CG1-CB 4.3Å
507	S	81.1	Confident	73	Confident	54 Å²	54	70.4 Å²	70.4	38%	0.378	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.1	171.9	175.2	0	0	0	0	111.7	M509 W653 K655	S507-M509 PolarHBondContact O-N 2.71Å; S507-W653 PolarHBondContact N-O 2.94Å; S507-K655 PolarHBondContact O-N 2.76Å
508	D	74.2	Confident	71.4	Confident	116 Å²	116	73.1 Å²	73.1	62%	0.62	46%	0.457	S	S	*	.			trans	-73.7	71.8	170.4	-70.6	-40.1	0	0	0	109.4	K655	D508-K655 WeakPolarHBondContact OD1-CD 3.45Å; D508-K655 IonicContact OD1-NZ 2.84Å
509	M	69.2	Low	70.3	Confident	44 Å²	44	75.1 Å²	75.1	22%	0.217	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-77.9	135.2	173.8	-72	-171.6	-78.6	0	0	110	S507 I622 L626 V652 W653 P654	S507-M509 PolarHBondContact O-N 2.71Å; M509-I622 HydrophobicContact CE-CG2 3.85Å; M509-I622 HydrophobicContact SD-CG2 4.14Å; M509-L626 HydrophobicContact CB-CD1 4.47Å; M509-L626 HydrophobicContact CB-CD2 3.84Å; M509-V652 WeakPolarHBondContact CE-O 3.46Å; M509-W653 VanDerWaalsContact CE-C 3.46Å; M509-P654 HydrophobicContact CE-CB 3.89Å; M509-P654 HydrophobicContact CE-CG 4.39Å; M509-P654 VanDerWaalsContact CE-N 3.29Å
510	P	68.3	Low	69.8	Low	103 Å²	103	72.1 Å²	72.1	67%	0.669	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-62.9	135.7	176.1	26.3	-32.1	0	0	0	109.1	V512	P510-V512 PolarHBondContact O-N 2.85Å
511	P	64.8	Low	69.8	Low	31 Å²	31	72.6 Å²	72.6	20%	0.201	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-57.1	141.9	173.4	25.2	-33.1	0	0	0	109.1	V513 A629	P511-V513 PolarHBondContact O-N 2.99Å; P511-A629 HydrophobicContact CB-CB 4.02Å
512	V	62.4	Low	69.8	Low	56 Å²	56	67.6 Å²	67.6	34%	0.339	41%	0.406	S	S	.	.			trans	-66.7	106.6	169.9	176.9	0	0	0	0	105.8	P510 N514 L626 R627	P510-V512 PolarHBondContact O-N 2.85Å; V512-N514 PolarHBondContact O-N 2.85Å; V512-L626 HydrophobicContact CB-CB 4.48Å; V512-L626 HydrophobicContact CG2-CB 3.86Å; V512-L626 HydrophobicContact CG2-CD1 4.14Å; V512-R627 HydrophobicContact CB-CG 4.17Å; V512-R627 HydrophobicContact CG1-CG 4.41Å
513	V	52.1	Low	69.8	Low	95 Å²	95	65.6 Å²	65.6	58%	0.576	39%	0.39	S	S	*	.			trans	-62.2	103.3	172.9	-176.9	0	0	0	0	106.1	P511 T515	P511-V513 PolarHBondContact O-N 2.99Å; V513-T515 PolarHBondContact O-N 3.02Å
514	N	53.5	Low	69.6	Low	27 Å²	27	61.9 Å²	61.9	14%	0.144	37%	0.366	C	S	.	.			trans	-57.9	100.1	158.1	-87	-13.9	0	0	0	104.5	V512 L516 D517	V512-N514 PolarHBondContact O-N 2.85Å; N514-L516 PolarHBondContact O-N 3.37Å; N514-D517 HydrophobicContact CB-CB 3.7Å; N514-D517 WeakPolarHBondContact CB-OD2 3.41Å; N514-D517 PolarHBondContact ND2-OD2 2.02Å; N514-D517 PolarHBondContact O-N 2.87Å
515	T	49.1	Very low	69.3	Low	123 Å²	123	63 Å²	63	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.9	-172.9	47.4	0	0	0	0	113.3	V513	V513-T515 PolarHBondContact O-N 3.02Å
516	L	50.4	Low	69	Low	110 Å²	110	61.2 Å²	61.2	58%	0.576	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-23.6	176.7	-67.5	159.8	0	0	0	114.2	N514	N514-L516 PolarHBondContact O-N 3.37Å
517	D	52.3	Low	68.8	Low	22 Å²	22	62.5 Å²	62.5	12%	0.118	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-24	-172.6	-81.7	-11.8	0	0	0	113.6	N514 S519 E520 R694 H695	N514-D517 HydrophobicContact CB-CB 3.7Å; N514-D517 WeakPolarHBondContact CB-OD2 3.41Å; N514-D517 PolarHBondContact ND2-OD2 2.02Å; N514-D517 PolarHBondContact O-N 2.87Å; D517-S519 PolarHBondContact O-N 3.2Å; D517-E520 PolarHBondContact O-N 2.92Å; D517-R694 WeakPolarHBondContact OD1-CB 3.31Å; D517-R694 WeakPolarHBondContact OD1-CD 3.43Å; D517-R694 IonicContact OD1-NE 2.8Å; D517-H695 IonicContact OD2-CD2 3.38Å; D517-H695 IonicContact OD2-CG 2.77Å; D517-H695 PolarHBondContact OD2-N 3.34Å
518	S	53.2	Low	69.1	Low	100 Å²	100	63.9 Å²	63.9	70%	0.699	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.5	-160.7	61.4	0	0	0	0	117.1
519	S	62.6	Low	69.6	Low	82 Å²	82	61.7 Å²	61.7	57%	0.573	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-4.7	-176.4	72.3	0	0	0	0	115.8	D517 K859	D517-S519 PolarHBondContact O-N 3.2Å; S519-K859 PolarHBondContact O-NZ 3.04Å; S519-K859 VanDerWaalsContact O-NZ 3.1Å; S519-K859 PolarHBondContact OG-NZ 3.03Å
520	E	76.1	Confident	70.5	Confident	22 Å²	22	65.5 Å²	65.5	10%	0.103	38%	0.379	C	S	.	.			trans	-104.4	119.7	-178.9	-169.3	160.1	-151.5	0	0	111.5	D517 L522 F858 K859	D517-E520 PolarHBondContact O-N 2.92Å; E520-L522 HydrophobicContact CG-CD2 3.87Å; E520-L522 HydrophobicContact CG-CG 4.35Å; E520-L522 PolarHBondContact O-N 3.28Å; E520-F858 WeakPolarHBondContact OE1-CA 3.28Å; E520-K859 HydrophobicContact CB-CD 4.22Å; E520-K859 HydrophobicContact CG-CD 4.42Å; E520-K859 PolarHBondContact OE1-N 3.15Å; E520-K859 WeakPolarHBondContact OE2-CB 3.33Å; E520-K859 WeakPolarHBondContact OE2-CG 3.46Å; E520-K859 PolarHBondContact OE2-N 3.22Å; E520-K859 VanDerWaalsContact OE2-N 3.07Å
521	F	82.4	Confident	71.5	Confident	116 Å²	116	61.2 Å²	61.2	51%	0.509	35%	0.351	S	S	.	.			trans	-75.1	115.5	170.8	-178.8	-108.1	0	0	0	108.6	G523 S596 K597	F521-G523 WeakPolarHBondContact CE2-O 3.14Å; F521-S596 WeakPolarHBondContact O-CB 3.31Å; F521-S596 PolarHBondContact O-OG 3.06Å; F521-K597 HydrophobicContact CE1-CG 4.16Å
522	L	85.8	Confident	72.3	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	36%	0.363	C	S	.	.			trans	-106.3	-6.3	-176.1	-64.5	170.6	0	0	0	113.5	E520 P632 H695 D696 I699 F858	E520-L522 HydrophobicContact CG-CD2 3.87Å; E520-L522 HydrophobicContact CG-CG 4.35Å; E520-L522 PolarHBondContact O-N 3.28Å; L522-P632 HydrophobicContact CB-CG 4.28Å; L522-H695 HydrophobicContact CD1-CB 3.43Å; L522-H695 VanDerWaalsContact CD1-CB 3.43Å; L522-D696 HydrophobicContact CD1-CB 4.07Å; L522-D696 VanDerWaalsContact CD1-N 3.32Å; L522-D696 HydrophobicContact CD2-CB 3.93Å; L522-I699 HydrophobicContact CB-CG1 4.22Å; L522-I699 HydrophobicContact CD1-CG1 4.48Å; L522-F858 HydrophobicContact CD2-CD1 3.93Å; L522-F858 HydrophobicContact CD2-CE1 3.99Å
523	G	84.4	Confident	73.3	Confident	5 Å²	5	63.7 Å²	63.7	5%	0.052	37%	0.371	C	S	.	.	S	Bend	trans	148.7	163.6	-175.9	0	0	0	0	0	111.7	F521 S596	F521-G523 WeakPolarHBondContact CE2-O 3.14Å; G523-S596 WeakPolarHBondContact CA-O 3.48Å; G523-S596 PolarHBondContact N-O 3.44Å
524	P	81.2	Confident	74.6	Confident	25 Å²	25	63 Å²	63	16%	0.162	36%	0.361	C	S	.	.			trans	-66.7	142.7	169.8	29.5	-33.1	0	0	0	110.6	E526	P524-E526 HydrophobicContact CB-CG 4.16Å; P524-E526 HydrophobicContact CG-CG 4.05Å
525	V	79.9	Confident	75.4	Confident	58 Å²	58	65.9 Å²	65.9	35%	0.352	38%	0.383	S	S	.	.			trans	-81.6	115.8	166.2	-176.7	0	0	0	0	107.2	N114 E630	N114-V525 PolarHBondContact ND2-O 3.22Å; V525-E630 HydrophobicContact CG2-CB 4.26Å; V525-E630 WeakPolarHBondContact CG2-O 3.37Å
526	E	79.6	Confident	76.5	Confident	16 Å²	16	62.8 Å²	62.8	8%	0.075	36%	0.358	C	S	.	.			trans	-112.4	158.9	-171.9	-61.4	-171.4	126.7	0	0	112.2	N114 P524 R582 K605	N114-E526 WeakPolarHBondContact ND2-CA 3.25Å; P524-E526 HydrophobicContact CB-CG 4.16Å; P524-E526 HydrophobicContact CG-CG 4.05Å; E526-R582 IonicContact OE1-CZ 3.8Å; E526-R582 IonicContact OE1-NH1 3.59Å; E526-R582 PolarHBondContact OE1-NH1 3.45Å; E526-R582 IonicContact OE1-NH2 3.48Å; E526-K605 IonicContact OE1-NZ 2.79Å; E526-K605 PolarHBondContact OE1-NZ 3.44Å; E526-K605 WeakPolarHBondContact OE2-CE 3.3Å; E526-K605 IonicContact OE2-NZ 3.92Å; E526-K605 PolarHBondContact OE2-NZ 3.21Å
527	T	82.4	Confident	77.2	Confident	96 Å²	96	62 Å²	62	59%	0.589	35%	0.354	S	S	*	.			trans	-65.1	153.2	169.3	53.1	0	0	0	0	110.5	H529 Q607	T527-H529 PolarHBondContact O-N 3.3Å; T527-Q607 PolarHBondContact O-NE2 2.84Å
528	P	87.3	Confident	78.1	Confident	83 Å²	83	66.1 Å²	66.1	54%	0.539	37%	0.369	S	S	.	.			trans	-54	127.6	176.5	-26.7	35.3	0	0	0	112.1	N635	P528-N635 WeakPolarHBondContact CB-O 3.33Å; P528-N635 VanDerWaalsContact CG-O 3.29Å; P528-N635 WeakPolarHBondContact CG-O 3.29Å
529	H	85.3	Confident	79.3	Confident	70 Å²	70	63.3 Å²	63.3	32%	0.324	35%	0.349	S	S	.	.			trans	-124.3	124.4	178.7	178.4	71.4	0	0	0	109.5	T527 Q607 N635	T527-H529 PolarHBondContact O-N 3.3Å; H529-Q607 HydrophobicContact CB-CG 4.27Å; H529-N635 VanDerWaalsContact C-ND2 3.27Å; H529-N635 PolarHBondContact N-ND2 2.86Å; H529-N635 PolarHBondContact O-ND2 3.38Å
530	K	87.3	Confident	79.9	Confident	123 Å²	123	59.9 Å²	59.9	54%	0.535	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-81.6	145	-178.2	-50.6	-171.9	-170.9	-162.6	0	110.4	E680	K530-E680 HydrophobicContact CB-CB 4.07Å; K530-E680 HydrophobicContact CD-CB 4.09Å; K530-E680 HydrophobicContact CD-CG 4.07Å; K530-E680 VanDerWaalsContact CD-OE2 3.28Å; K530-E680 WeakPolarHBondContact CD-OE2 3.32Å; K530-E680 WeakPolarHBondContact CE-OE1 3.32Å; K530-E680 WeakPolarHBondContact CE-OE2 3.46Å; K530-E680 HydrophobicContact CG-CB 3.86Å; K530-E680 HydrophobicContact CG-CG 4.36Å; K530-E680 WeakPolarHBondContact CG-OE2 3.48Å; K530-E680 VanDerWaalsContact NZ-CD 3.31Å; K530-E680 IonicContact NZ-OE1 3.4Å; K530-E680 PolarHBondContact NZ-OE1 3.29Å; K530-E680 IonicContact NZ-OE2 3.29Å
531	S	89.1	Confident	80	Confident	14 Å²	14	59.3 Å²	59.3	10%	0.098	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.1	144.4	167.9	-70.1	0	0	0	0	110.1	V533 E680 T681 E682	S531-V533 PolarHBondContact O-N 3.21Å; S531-E680 PolarHBondContact N-O 2.97Å; S531-T681 WeakPolarHBondContact OG-CA 3.48Å; S531-E682 PolarHBondContact OG-N 2.88Å
532	A	82	Confident	80	Confident	54 Å²	54	58.7 Å²	58.7	45%	0.446	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.3	130.2	174.1	0	0	0	0	0	109.8	N561	A532-N561 PolarHBondContact O-ND2 3.26Å
533	V	83.6	Confident	80	Confident	84 Å²	84	64 Å²	64	51%	0.509	36%	0.36	S	S	.	.			trans	-109.6	143.5	179.8	-61.9	0	0	0	0	110.1	S531 S535 P560	S531-V533 PolarHBondContact O-N 3.21Å; V533-S535 PolarHBondContact O-N 3.43Å; V533-S535 VanDerWaalsContact O-N 3.1Å; V533-P560 HydrophobicContact CB-CB 3.92Å; V533-P560 HydrophobicContact CG1-CB 3.9Å
534	F	80	Confident	80.1	Confident	80 Å²	80	65.4 Å²	65.4	35%	0.351	37%	0.365	S	S	.	.	S	Bend	trans	50.9	37	176.1	-50	-70.9	0	0	0	114	P488 R536 L558 P560	P488-F534 HydrophobicContact CB-CE1 4.28Å; P488-F534 HydrophobicContact CB-CZ 3.92Å; P488-F534 HydrophobicContact CG-CZ 4.45Å; F534-R536 PolarHBondContact O-N 3.23Å; F534-L558 HydrophobicContact CD1-CD2 3.47Å; F534-L558 VanDerWaalsContact CD1-CD2 3.47Å; F534-L558 HydrophobicContact CD1-CG 3.69Å; F534-L558 HydrophobicContact CE1-CB 4.4Å; F534-L558 HydrophobicContact CE1-CD2 3.82Å; F534-L558 HydrophobicContact CE1-CG 3.72Å; F534-L558 HydrophobicContact CG-CD2 4.47Å; F534-P560 HydrophobicContact CD2-CB 4.44Å; F534-P560 HydrophobicContact CE1-CB 4.04Å; F534-P560 HydrophobicContact CE2-CB 3.92Å; F534-P560 HydrophobicContact CZ-CB 3.7Å; F534-P560 HydrophobicContact CZ-CG 4.45Å; F534-P560 PolarHBondContact N-O 2.68Å
535	S	70.1	Confident	80.5	Confident	89 Å²	89	64.9 Å²	64.9	62%	0.622	36%	0.362	S	S	*	.			trans	-72.4	1.4	-170.1	58	0	0	0	0	115.7	V533	V533-S535 PolarHBondContact O-N 3.43Å; V533-S535 VanDerWaalsContact O-N 3.1Å
536	R	71.4	Confident	81.2	Confident	57 Å²	57	66.8 Å²	66.8	22%	0.215	36%	0.363	C	S	.	.	S	Bend	trans	-98	128	-176.5	-58	-168.2	-168.5	163.9	15.4	110.3	F534 Y538 Q540 H544 D562	F534-R536 PolarHBondContact O-N 3.23Å; R536-Y538 VanDerWaalsContact C-N 3.27Å; R536-Y538 PolarHBondContact O-N 3.26Å; R536-Q540 HydrophobicContact CB-CG 3.84Å; R536-Q540 HydrophobicContact CG-CG 4.24Å; R536-H544 PolarHBondContact NH1-CD2 2.84Å; R536-H544 PolarHBondContact NH1-NE2 2.72Å; R536-D562 IonicContact CZ-OD2 3.23Å; R536-D562 IonicContact NH1-OD2 3.09Å; R536-D562 IonicContact NH2-OD1 3.61Å; R536-D562 PolarHBondContact NH2-OD1 3.09Å; R536-D562 IonicContact NH2-OD2 3.47Å; R536-D562 PolarHBondContact NH2-OD2 2.68Å
537	N	65.8	Low	81.8	Confident	93 Å²	93	68.1 Å²	68.1	50%	0.497	37%	0.371	S	S	.	.			trans	-72.1	66	-175.8	-67.1	-9.7	0	0	0	113.3	S539	N537-S539 PolarHBondContact O-N 3.07Å
538	Y	71.7	Confident	82.3	Confident	110 Å²	110	65 Å²	65	43%	0.431	35%	0.349	S	S	.	.	S	Bend	trans	57.9	-3.1	-178.5	-60	-88.7	0	0	0	115.8	I169 Q485 R536 Q540	I169-Y538 HydrophobicContact CG2-CD1 3.61Å; I169-Y538 HydrophobicContact CG2-CE1 3.79Å; I169-Y538 HydrophobicContact CG2-CG 4.29Å; Q485-Y538 HydrophobicContact CG-CD1 3.69Å; Q485-Y538 HydrophobicContact CG-CE1 4.31Å; Q485-Y538 PolarHBondContact NE2-O 3.41Å; R536-Y538 VanDerWaalsContact C-N 3.27Å; R536-Y538 PolarHBondContact O-N 3.26Å; Y538-Q540 PolarHBondContact O-N 2.83Å; Y538-Q540 VanDerWaalsContact O-N 3.09Å
539	S	76.7	Confident	82.7	Confident	40 Å²	40	61.3 Å²	61.3	28%	0.28	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14	-177.2	62.5	0	0	0	0	113.1	N537 V541 S542 L543	N537-S539 PolarHBondContact O-N 3.07Å; S539-V541 PolarHBondContact O-N 2.77Å; S539-S542 PolarHBondContact O-N 3.07Å; S539-S542 VanDerWaalsContact O-N 3.12Å; S539-L543 WeakPolarHBondContact O-CB 3.38Å; S539-L543 WeakPolarHBondContact O-CG 3.35Å; S539-L543 PolarHBondContact O-N 3.46Å
540	Q	76.6	Confident	83.2	Confident	11 Å²	11	58 Å²	58	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-40.7	-178.3	-75.2	170.7	-42	0	0	113.9	R536 Y538 S542 H544 S545 W548	R536-Q540 HydrophobicContact CB-CG 3.84Å; R536-Q540 HydrophobicContact CG-CG 4.24Å; Y538-Q540 PolarHBondContact O-N 2.83Å; Y538-Q540 VanDerWaalsContact O-N 3.09Å; Q540-S542 PolarHBondContact O-N 3.18Å; Q540-H544 CarbonylContact O-C 3.58Å; Q540-H544 WeakPolarHBondContact O-CA 3.34Å; Q540-H544 PolarHBondContact O-N 3.2Å; Q540-S545 PolarHBondContact O-N 3.12Å; Q540-W548 HydrophobicContact CB-CH2 3.53Å; Q540-W548 HydrophobicContact CB-CZ2 3.71Å; Q540-W548 HydrophobicContact CB-CZ3 4.41Å; Q540-W548 HydrophobicContact CG-CH2 4.23Å; Q540-W548 HydrophobicContact CG-CZ2 4.03Å
541	V	78.3	Confident	83.6	Confident	9 Å²	9	54.4 Å²	54.4	6%	0.055	30%	0.296	C	S	.	.	H	α-helix	trans	-71.1	-23	179.9	165.7	0	0	0	0	111.3	H480 Q485 S539 S545 W548	H480-V541 PolarHBondContact CE1-O 3.07Å; Q485-V541 HydrophobicContact CG-CG2 4.33Å; Q485-V541 VanDerWaalsContact OE1-CG2 3.27Å; S539-V541 PolarHBondContact O-N 2.77Å; V541-S545 WeakPolarHBondContact O-CB 3.42Å; V541-W548 HydrophobicContact CG2-CZ3 4.42Å
542	S	81.1	Confident	83.6	Confident	104 Å²	104	55.9 Å²	55.9	73%	0.727	30%	0.3	S	S	*	.	H	α-helix	trans	-92.1	-44.5	177.6	-51.7	0	0	0	0	112.7	S539 Q540	S539-S542 PolarHBondContact O-N 3.07Å; S539-S542 VanDerWaalsContact O-N 3.12Å; Q540-S542 PolarHBondContact O-N 3.18Å
543	L	85.6	Confident	84.2	Confident	123 Å²	123	53.7 Å²	53.7	64%	0.644	28%	0.282	S	S	*	.	H	α-helix	trans	-89.8	-35.5	-171.9	-63.2	178.9	0	0	0	113.5	S539	S539-L543 WeakPolarHBondContact O-CB 3.38Å; S539-L543 WeakPolarHBondContact O-CG 3.35Å; S539-L543 PolarHBondContact O-N 3.46Å
544	H	87.1	Confident	84.5	Confident	35 Å²	35	50.2 Å²	50.2	16%	0.162	26%	0.262	C	S	.	.	S	Bend	trans	-115.2	4	-170.7	-59.2	-67.9	0	0	0	113.7	R536 Q540 Y546 D547 W548	R536-H544 PolarHBondContact NH1-CD2 2.84Å; R536-H544 PolarHBondContact NH1-NE2 2.72Å; Q540-H544 CarbonylContact O-C 3.58Å; Q540-H544 WeakPolarHBondContact O-CA 3.34Å; Q540-H544 PolarHBondContact O-N 3.2Å; H544-Y546 VanDerWaalsContact C-N 3.25Å; H544-Y546 PolarHBondContact O-N 2.94Å; H544-D547 PolarHBondContact O-N 3.02Å; H544-D547 VanDerWaalsContact O-N 3.16Å; H544-W548 PolarHBondContact O-N 3.5Å; H544-W548 VanDerWaalsContact O-N 3.1Å
545	S	90	Very high	85.1	Confident	13 Å²	13	46.4 Å²	46.4	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-53.3	-45.4	178	172	0	0	0	0	111.5	H480 Q540 V541 D547 W548 W549	H480-S545 VanDerWaalsContact CE1-CB 3.45Å; H480-S545 WeakPolarHBondContact CE1-CB 2.95Å; H480-S545 PolarHBondContact CE1-OG 3.41Å; H480-S545 PolarHBondContact NE2-OG 3.28Å; Q540-S545 PolarHBondContact O-N 3.12Å; V541-S545 WeakPolarHBondContact O-CB 3.42Å; S545-D547 VanDerWaalsContact C-N 3.32Å; S545-D547 PolarHBondContact O-N 3.09Å; S545-W548 PolarHBondContact O-N 3.09Å; S545-W548 VanDerWaalsContact O-N 3.14Å; S545-W549 PolarHBondContact O-N 3.02Å; S545-W549 VanDerWaalsContact OG-CD1 3.24Å
546	Y	94.5	Very high	86.1	Confident	98 Å²	98	43.8 Å²	43.8	38%	0.384	22%	0.222	S	C	.	.	H	α-helix	trans	-53.5	-49.7	179.3	-178.7	-90.6	0	0	0	111.9	D421 H544 W548 W549 N550 V551	D421-Y546 HydrophobicContact CB-CE2 3.76Å; D421-Y546 WeakPolarHBondContact OD2-CE2 3.47Å; D421-Y546 PolarHBondContact OD2-OH 3.38Å; H544-Y546 VanDerWaalsContact C-N 3.25Å; H544-Y546 PolarHBondContact O-N 2.94Å; Y546-W548 PolarHBondContact O-N 2.83Å; Y546-W549 PolarHBondContact O-N 3.03Å; Y546-N550 HydrophobicContact CD1-CB 4.49Å; Y546-N550 HydrophobicContact CE1-CB 4.16Å; Y546-N550 HydrophobicContact CE2-CB 4.36Å; Y546-N550 WeakPolarHBondContact O-CB 3.42Å; Y546-N550 PolarHBondContact O-N 3.08Å; Y546-N550 PolarHBondContact O-ND2 3.47Å; Y546-N550 VanDerWaalsContact O-ND2 3.08Å; Y546-V551 HydrophobicContact CE1-CG2 4.32Å
547	D	92.9	Very high	87	Confident	44 Å²	44	46 Å²	46	24%	0.235	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-38	-178.7	-64.3	-33.6	0	0	0	112.1	H544 S545 W549 V551 Y552	H544-D547 PolarHBondContact O-N 3.02Å; H544-D547 VanDerWaalsContact O-N 3.16Å; S545-D547 VanDerWaalsContact C-N 3.32Å; S545-D547 PolarHBondContact O-N 3.09Å; D547-W549 VanDerWaalsContact C-N 3.34Å; D547-W549 PolarHBondContact O-N 3.49Å; D547-V551 HydrophobicContact CB-CB 4.24Å; D547-V551 HydrophobicContact CB-CG2 4.37Å; D547-V551 CarbonylContact O-C 3.57Å; D547-V551 WeakPolarHBondContact O-CA 3.48Å; D547-V551 WeakPolarHBondContact O-CB 3.48Å; D547-V551 PolarHBondContact O-N 3.47Å; D547-Y552 HydrophobicContact CB-CD2 3.88Å; D547-Y552 HydrophobicContact CB-CE2 3.52Å; D547-Y552 PolarHBondContact O-N 3.31Å
548	W	92.2	Very high	88	Confident	32 Å²	32	42.3 Å²	42.3	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-39.5	178.8	-70.6	7.4	0	0	0	112.7	P486 Q540 V541 H544 S545 Y546 V553 A554 P555 L558	P486-W548 HydrophobicContact CG-CZ3 3.81Å; Q540-W548 HydrophobicContact CB-CH2 3.53Å; Q540-W548 HydrophobicContact CB-CZ2 3.71Å; Q540-W548 HydrophobicContact CB-CZ3 4.41Å; Q540-W548 HydrophobicContact CG-CH2 4.23Å; Q540-W548 HydrophobicContact CG-CZ2 4.03Å; V541-W548 HydrophobicContact CG2-CZ3 4.42Å; H544-W548 PolarHBondContact O-N 3.5Å; H544-W548 VanDerWaalsContact O-N 3.1Å; S545-W548 PolarHBondContact O-N 3.09Å; S545-W548 VanDerWaalsContact O-N 3.14Å; Y546-W548 PolarHBondContact O-N 2.83Å; W548-V553 CarbonylContact O-C 3.41Å; W548-V553 WeakPolarHBondContact O-CA 3.45Å; W548-V553 PolarHBondContact O-N 3.44Å; W548-V553 VanDerWaalsContact O-N 3.13Å; W548-A554 PolarHBondContact O-N 2.99Å; W548-P555 HydrophobicContact CB-CB 4.23Å; W548-L558 HydrophobicContact CH2-CD1 3.67Å; W548-L558 HydrophobicContact CZ2-CD1 4.19Å
549	W	95.6	Very high	88.8	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-81.5	-35.6	177.9	-71.6	105.2	0	0	0	113.1	V419 L420 Y463 T473 N476 V477 H480 S545 Y546 D547 P555	V419-W549 HydrophobicContact CB-CB 4.39Å; V419-W549 HydrophobicContact CB-CD2 3.72Å; V419-W549 HydrophobicContact CB-CE3 4.11Å; V419-W549 HydrophobicContact CB-CG 3.83Å; V419-W549 HydrophobicContact CG1-CD2 4.25Å; V419-W549 HydrophobicContact CG1-CG 4.45Å; V419-W549 HydrophobicContact CG1-CZ2 4.34Å; V419-W549 HydrophobicContact CG2-CD2 3.79Å; V419-W549 HydrophobicContact CG2-CE3 3.65Å; V419-W549 HydrophobicContact CG2-CG 4.37Å; V419-W549 HydrophobicContact CG2-CH2 4.26Å; V419-W549 HydrophobicContact CG2-CZ2 4.36Å; V419-W549 HydrophobicContact CG2-CZ3 3.9Å; L420-W549 HydrophobicContact CD2-CB 4.43Å; L420-W549 HydrophobicContact CD2-CE3 4.05Å; Y463-W549 HydrophobicContact CD1-CZ3 4.18Å; Y463-W549 AromaticContact CE1-CE3 3.77Å; Y463-W549 HydrophobicContact CE1-CE3 3.77Å; Y463-W549 AromaticContact CE1-CZ3 3.75Å; Y463-W549 HydrophobicContact CE1-CZ3 3.75Å; Y463-W549 AromaticContact CZ-CE3 3.9Å; Y463-W549 PolarHBondContact OH-O 2.95Å; T473-W549 HydrophobicContact CG2-CZ3 4.05Å; N476-W549 HydrophobicContact CB-CH2 3.89Å; N476-W549 HydrophobicContact CB-CZ2 4.31Å; V477-W549 HydrophobicContact CB-CH2 4.49Å; V477-W549 HydrophobicContact CG2-CH2 3.54Å; V477-W549 HydrophobicContact CG2-CZ2 4.17Å; V477-W549 HydrophobicContact CG2-CZ3 3.99Å; H480-W549 HydrophobicContact CB-CZ2 4.34Å; S545-W549 PolarHBondContact O-N 3.02Å; S545-W549 VanDerWaalsContact OG-CD1 3.24Å; Y546-W549 PolarHBondContact O-N 3.03Å; D547-W549 VanDerWaalsContact C-N 3.34Å; D547-W549 PolarHBondContact O-N 3.49Å; W549-P555 HydrophobicContact CD2-CB 3.68Å; W549-P555 HydrophobicContact CD2-CG 3.7Å; W549-P555 HydrophobicContact CE3-CB 4.08Å; W549-P555 HydrophobicContact CE3-CG 3.54Å; W549-P555 HydrophobicContact CG-CB 4.14Å; W549-P555 HydrophobicContact CG-CG 4.44Å; W549-P555 HydrophobicContact CH2-CB 4.25Å; W549-P555 HydrophobicContact CH2-CG 3.87Å; W549-P555 HydrophobicContact CZ2-CB 3.89Å; W549-P555 HydrophobicContact CZ2-CG 4.04Å; W549-P555 HydrophobicContact CZ3-CB 4.33Å; W549-P555 HydrophobicContact CZ3-CG 3.62Å
550	N	96.7	Very high	89.3	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-115.5	-23.2	-164.2	-64.5	-69.2	0	0	0	115.7	V419 L420 D421 R424 F459 Y546	V419-N550 PolarHBondContact O-ND2 3.13Å; L420-N550 WeakPolarHBondContact CA-OD1 3.5Å; D421-N550 PolarHBondContact N-OD1 3.34Å; R424-N550 PolarHBondContact NE-O 2.89Å; R424-N550 VanDerWaalsContact NE-O 3.08Å; F459-N550 WeakPolarHBondContact CZ-OD1 3.22Å; Y546-N550 HydrophobicContact CD1-CB 4.49Å; Y546-N550 HydrophobicContact CE1-CB 4.16Å; Y546-N550 HydrophobicContact CE2-CB 4.36Å; Y546-N550 WeakPolarHBondContact O-CB 3.42Å; Y546-N550 PolarHBondContact O-N 3.08Å; Y546-N550 PolarHBondContact O-ND2 3.47Å; Y546-N550 VanDerWaalsContact O-ND2 3.08Å
551	V	93.9	Very high	89.8	Confident	46 Å²	46	37.7 Å²	37.7	28%	0.279	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-53.1	-175.7	-178.6	0	0	0	0	110.5	Y546 D547	Y546-V551 HydrophobicContact CE1-CG2 4.32Å; D547-V551 HydrophobicContact CB-CB 4.24Å; D547-V551 HydrophobicContact CB-CG2 4.37Å; D547-V551 CarbonylContact O-C 3.57Å; D547-V551 WeakPolarHBondContact O-CA 3.48Å; D547-V551 WeakPolarHBondContact O-CB 3.48Å; D547-V551 PolarHBondContact O-N 3.47Å
552	Y	90.7	Very high	90.2	Very high	45 Å²	45	38.3 Å²	38.3	18%	0.176	19%	0.193	C	C	.	.	S	Bend	trans	-91.4	-21.6	-179	-51.2	-48.2	0	0	0	112.9	D547 A554 F564	D547-Y552 HydrophobicContact CB-CD2 3.88Å; D547-Y552 HydrophobicContact CB-CE2 3.52Å; D547-Y552 PolarHBondContact O-N 3.31Å; Y552-A554 PolarHBondContact O-N 3.47Å; Y552-F564 HydrophobicContact CD1-CD2 4.03Å; Y552-F564 HydrophobicContact CD1-CE1 4.33Å; Y552-F564 AromaticContact CD1-CE2 3.6Å; Y552-F564 HydrophobicContact CD1-CE2 3.6Å; Y552-F564 AromaticContact CD1-CZ 3.75Å; Y552-F564 HydrophobicContact CD1-CZ 3.75Å; Y552-F564 HydrophobicContact CD2-CD2 4.18Å; Y552-F564 HydrophobicContact CD2-CE2 4.34Å; Y552-F564 AromaticContact CE1-CD1 3.78Å; Y552-F564 HydrophobicContact CE1-CD1 3.78Å; Y552-F564 AromaticContact CE1-CD2 3.58Å; Y552-F564 HydrophobicContact CE1-CD2 3.58Å; Y552-F564 AromaticContact CE1-CE1 3.7Å; Y552-F564 HydrophobicContact CE1-CE1 3.7Å; Y552-F564 AromaticContact CE1-CE2 3.53Å; Y552-F564 HydrophobicContact CE1-CE2 3.53Å; Y552-F564 AromaticContact CE1-CG 3.7Å; Y552-F564 HydrophobicContact CE1-CG 3.7Å; Y552-F564 AromaticContact CE1-CZ 3.57Å; Y552-F564 HydrophobicContact CE1-CZ 3.57Å; Y552-F564 HydrophobicContact CE2-CB 4.34Å; Y552-F564 AromaticContact CE2-CD2 3.73Å; Y552-F564 HydrophobicContact CE2-CD2 3.73Å; Y552-F564 HydrophobicContact CE2-CE2 4.26Å; Y552-F564 HydrophobicContact CE2-CG 4.1Å; Y552-F564 HydrophobicContact CG-CD2 4.33Å; Y552-F564 HydrophobicContact CG-CE2 4.04Å; Y552-F564 AromaticContact CZ-CD1 3.91Å; Y552-F564 AromaticContact CZ-CD2 3.44Å; Y552-F564 VanDerWaalsContact CZ-CD2 3.44Å; Y552-F564 AromaticContact CZ-CE2 3.9Å; Y552-F564 AromaticContact CZ-CG 3.43Å; Y552-F564 VanDerWaalsContact CZ-CG 3.43Å; Y552-F564 VanDerWaalsContact OH-CB 3.3Å; Y552-F564 WeakPolarHBondContact OH-CB 3.49Å; Y552-F564 VanDerWaalsContact OH-CG 3.32Å; Y552-F564 WeakPolarHBondContact OH-CG 3.37Å
553	V	93.1	Very high	90.8	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	16%	0.16	C	C	.	.			trans	56.3	40	176.5	-154.7	0	0	0	0	111.8	Q462 Y463 W548	Q462-V553 HydrophobicContact CB-CG1 3.58Å; Q462-V553 HydrophobicContact CG-CB 4.34Å; Q462-V553 HydrophobicContact CG-CG1 3.58Å; Y463-V553 HydrophobicContact CD2-CG1 4.39Å; Y463-V553 HydrophobicContact CE1-CG1 4.46Å; Y463-V553 HydrophobicContact CE2-CG1 3.44Å; Y463-V553 VanDerWaalsContact CE2-CG1 3.44Å; Y463-V553 VanDerWaalsContact CZ-CG1 3.48Å; Y463-V553 WeakPolarHBondContact OH-CA 3.35Å; Y463-V553 VanDerWaalsContact OH-CG1 3.28Å; Y463-V553 WeakPolarHBondContact OH-CG1 3.44Å; W548-V553 CarbonylContact O-C 3.41Å; W548-V553 WeakPolarHBondContact O-CA 3.45Å; W548-V553 PolarHBondContact O-N 3.44Å; W548-V553 VanDerWaalsContact O-N 3.13Å
554	A	91	Very high	90.9	Very high	11 Å²	11	29 Å²	29	9%	0.091	14%	0.135	C	C	.	.			trans	-140.7	55.9	-174.9	0	0	0	0	0	113.4	W548 Y552 F556 Y559	W548-A554 PolarHBondContact O-N 2.99Å; Y552-A554 PolarHBondContact O-N 3.47Å; A554-F556 VanDerWaalsContact C-N 3.33Å; A554-F556 PolarHBondContact O-N 3.01Å; A554-Y559 HydrophobicContact CB-CE2 4.31Å
555	P	91.9	Very high	90.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.1	-174.8	36.6	-38.9	0	0	0	114.4	Y463 R479 W548 W549	Y463-P555 HydrophobicContact CE1-CG 3.95Å; R479-P555 PolarHBondContact NH2-O 3.39Å; W548-P555 HydrophobicContact CB-CB 4.23Å; W549-P555 HydrophobicContact CD2-CB 3.68Å; W549-P555 HydrophobicContact CD2-CG 3.7Å; W549-P555 HydrophobicContact CE3-CB 4.08Å; W549-P555 HydrophobicContact CE3-CG 3.54Å; W549-P555 HydrophobicContact CG-CB 4.14Å; W549-P555 HydrophobicContact CG-CG 4.44Å; W549-P555 HydrophobicContact CH2-CB 4.25Å; W549-P555 HydrophobicContact CH2-CG 3.87Å; W549-P555 HydrophobicContact CZ2-CB 3.89Å; W549-P555 HydrophobicContact CZ2-CG 4.04Å; W549-P555 HydrophobicContact CZ3-CB 4.33Å; W549-P555 HydrophobicContact CZ3-CG 3.62Å
556	F	91.7	Very high	90.1	Very high	34 Å²	34	36.6 Å²	36.6	15%	0.149	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-23.4	-165.6	-51.2	-69	0	0	0	114.5	Y463 V472 N476 A554	Y463-F556 HydrophobicContact CD1-CE1 4.4Å; Y463-F556 AromaticContact CD1-CZ 3.68Å; Y463-F556 HydrophobicContact CD1-CZ 3.68Å; Y463-F556 HydrophobicContact CE1-CE1 4.32Å; Y463-F556 HydrophobicContact CE1-CE2 4.15Å; Y463-F556 AromaticContact CE1-CZ 3.58Å; Y463-F556 HydrophobicContact CE1-CZ 3.58Å; V472-F556 HydrophobicContact CG1-CD1 3.98Å; V472-F556 HydrophobicContact CG1-CE1 4.13Å; N476-F556 HydrophobicContact CB-CD1 4.15Å; N476-F556 HydrophobicContact CB-CE1 4.47Å; A554-F556 VanDerWaalsContact C-N 3.33Å; A554-F556 PolarHBondContact O-N 3.01Å
557	R	89.5	Confident	89.4	Confident	103 Å²	103	35.1 Å²	35.1	39%	0.389	19%	0.186	S	C	.	.	S	Bend	trans	-138.8	146.8	-176.1	-67.4	-65.3	-174.7	142.3	1.3	110.4	S487 P488 I489 D490	S487-R557 WeakPolarHBondContact O-CA 3.22Å; S487-R557 WeakPolarHBondContact O-CD 3.38Å; P488-R557 PolarHBondContact O-NH1 3.37Å; P488-R557 VanDerWaalsContact O-NH1 3.13Å; I489-R557 HydrophobicContact CB-CB 4.03Å; I489-R557 HydrophobicContact CD1-CB 4.41Å; I489-R557 HydrophobicContact CG1-CB 4.39Å; D490-R557 IonicContact OD2-NH1 3.33Å; D490-R557 PolarHBondContact OD2-NH1 3.05Å
558	L	87.7	Confident	88.9	Confident	16 Å²	16	36.7 Å²	36.7	8%	0.084	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-89.7	121.6	175.5	-178.6	66.4	0	0	0	109.9	S487 P488 I489 F534 W548	S487-L558 PolarHBondContact O-N 3.17Å; P488-L558 WeakPolarHBondContact CA-O 3.21Å; I489-L558 PolarHBondContact N-O 2.9Å; F534-L558 HydrophobicContact CD1-CD2 3.47Å; F534-L558 VanDerWaalsContact CD1-CD2 3.47Å; F534-L558 HydrophobicContact CD1-CG 3.69Å; F534-L558 HydrophobicContact CE1-CB 4.4Å; F534-L558 HydrophobicContact CE1-CD2 3.82Å; F534-L558 HydrophobicContact CE1-CG 3.72Å; F534-L558 HydrophobicContact CG-CD2 4.47Å; W548-L558 HydrophobicContact CH2-CD1 3.67Å; W548-L558 HydrophobicContact CZ2-CD1 4.19Å
559	Y	88.6	Confident	88.7	Confident	32 Å²	32	38.7 Å²	38.7	13%	0.125	21%	0.211	C	C	.	.			trans	-85.9	140.7	175.4	-60.8	-89.3	0	0	0	110.3	I489 A554 N561 H750 Y753 L754	I489-Y559 HydrophobicContact CD1-CD1 4.03Å; I489-Y559 HydrophobicContact CD1-CE1 3.47Å; I489-Y559 VanDerWaalsContact CD1-CE1 3.47Å; I489-Y559 HydrophobicContact CG2-CD1 4.03Å; A554-Y559 HydrophobicContact CB-CE2 4.31Å; Y559-N561 PolarHBondContact O-N 3.33Å; Y559-H750 AromaticContact CD1-CE1 3.7Å; Y559-H750 AromaticContact CD1-ND1 3.5Å; Y559-H750 WeakPolarHBondContact CD1-ND1 3.36Å; Y559-H750 AromaticContact CD2-CE1 3.67Å; Y559-H750 AromaticContact CE1-CE1 3.84Å; Y559-H750 AromaticContact CE2-CE1 3.83Å; Y559-H750 AromaticContact CG-CE1 3.61Å; Y559-H750 AromaticContact CG-ND1 3.52Å; Y559-H750 AromaticContact CZ-CE1 3.93Å; Y559-Y753 HydrophobicContact CD1-CD2 4.1Å; Y559-Y753 HydrophobicContact CD1-CG 4.17Å; Y559-Y753 HydrophobicContact CE1-CG 4.31Å; Y559-L754 HydrophobicContact CE1-CD2 4.29Å; Y559-L754 WeakPolarHBondContact OH-CD2 3.45Å
560	P	87.1	Confident	88.3	Confident	14 Å²	14	42 Å²	42	9%	0.091	24%	0.235	C	C	.	.	S	Bend	trans	-62.1	-34.2	179.2	23.5	-33.1	0	0	0	112.5	V533 F534 Y753	V533-P560 HydrophobicContact CB-CB 3.92Å; V533-P560 HydrophobicContact CG1-CB 3.9Å; F534-P560 HydrophobicContact CD2-CB 4.44Å; F534-P560 HydrophobicContact CE1-CB 4.04Å; F534-P560 HydrophobicContact CE2-CB 3.92Å; F534-P560 HydrophobicContact CZ-CB 3.7Å; F534-P560 HydrophobicContact CZ-CG 4.45Å; F534-P560 PolarHBondContact N-O 2.68Å; P560-Y753 HydrophobicContact CG-CE2 3.95Å; P560-Y753 WeakPolarHBondContact CG-OH 3.28Å
561	N	86.5	Confident	87.8	Confident	17 Å²	17	46.9 Å²	46.9	9%	0.091	26%	0.257	C	S	.	.			trans	-146	151.5	179.2	-57	78.3	0	0	0	109.5	A532 Y559 E682	A532-N561 PolarHBondContact O-ND2 3.26Å; Y559-N561 PolarHBondContact O-N 3.33Å; N561-E682 HydrophobicContact CB-CG 3.71Å; N561-E682 WeakPolarHBondContact ND2-CG 3.39Å; N561-E682 PolarHBondContact ND2-OE1 2.66Å
562	D	87.2	Confident	87.4	Confident	23 Å²	23	45 Å²	45	12%	0.123	25%	0.246	C	C	.	.			trans	-135.5	146.1	174.7	69.1	77.5	0	0	0	111	R536 F564 A565	R536-D562 IonicContact CZ-OD2 3.23Å; R536-D562 IonicContact NH1-OD2 3.09Å; R536-D562 IonicContact NH2-OD1 3.61Å; R536-D562 PolarHBondContact NH2-OD1 3.09Å; R536-D562 IonicContact NH2-OD2 3.47Å; R536-D562 PolarHBondContact NH2-OD2 2.68Å; D562-F564 HydrophobicContact CB-CD2 4.14Å; D562-F564 PolarHBondContact O-N 2.8Å; D562-F564 VanDerWaalsContact O-N 3.14Å; D562-F564 VanDerWaalsContact OD1-C 3.26Å; D562-F564 VanDerWaalsContact OD1-CA 3.32Å; D562-F564 WeakPolarHBondContact OD1-CA 3.46Å; D562-F564 WeakPolarHBondContact OD1-CB 3.41Å; D562-F564 PolarHBondContact OD1-N 2.67Å; D562-A565 PolarHBondContact OD1-N 3.26Å; D562-A565 VanDerWaalsContact OD1-N 3.12Å
563	P	92.4	Very high	87.1	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.052	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	7.4	-179.5	32.9	-35.4	0	0	0	112.7	R709 R710 H748 H750 Y751	P563-R709 HydrophobicContact CB-CB 4.08Å; P563-R709 WeakPolarHBondContact CB-O 3.26Å; P563-R710 HydrophobicContact CB-CG 4.48Å; P563-R710 VanDerWaalsContact O-CG 3.3Å; P563-R710 WeakPolarHBondContact O-CG 3.38Å; P563-H748 HydrophobicContact CB-CB 4.29Å; P563-H750 HydrophobicContact CG-CB 4.44Å; P563-Y751 HydrophobicContact CG-CE1 4.42Å; P563-Y751 HydrophobicContact CG-CE2 4.32Å
564	F	88.8	Confident	86.6	Confident	23 Å²	23	48.8 Å²	48.8	10%	0.101	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	9.2	-172.8	-45.9	-58.2	0	0	0	112.6	Y552 D562 E566 R710 V785 T786	Y552-F564 HydrophobicContact CD1-CD2 4.03Å; Y552-F564 HydrophobicContact CD1-CE1 4.33Å; Y552-F564 AromaticContact CD1-CE2 3.6Å; Y552-F564 HydrophobicContact CD1-CE2 3.6Å; Y552-F564 AromaticContact CD1-CZ 3.75Å; Y552-F564 HydrophobicContact CD1-CZ 3.75Å; Y552-F564 HydrophobicContact CD2-CD2 4.18Å; Y552-F564 HydrophobicContact CD2-CE2 4.34Å; Y552-F564 AromaticContact CE1-CD1 3.78Å; Y552-F564 HydrophobicContact CE1-CD1 3.78Å; Y552-F564 AromaticContact CE1-CD2 3.58Å; Y552-F564 HydrophobicContact CE1-CD2 3.58Å; Y552-F564 AromaticContact CE1-CE1 3.7Å; Y552-F564 HydrophobicContact CE1-CE1 3.7Å; Y552-F564 AromaticContact CE1-CE2 3.53Å; Y552-F564 HydrophobicContact CE1-CE2 3.53Å; Y552-F564 AromaticContact CE1-CG 3.7Å; Y552-F564 HydrophobicContact CE1-CG 3.7Å; Y552-F564 AromaticContact CE1-CZ 3.57Å; Y552-F564 HydrophobicContact CE1-CZ 3.57Å; Y552-F564 HydrophobicContact CE2-CB 4.34Å; Y552-F564 AromaticContact CE2-CD2 3.73Å; Y552-F564 HydrophobicContact CE2-CD2 3.73Å; Y552-F564 HydrophobicContact CE2-CE2 4.26Å; Y552-F564 HydrophobicContact CE2-CG 4.1Å; Y552-F564 HydrophobicContact CG-CD2 4.33Å; Y552-F564 HydrophobicContact CG-CE2 4.04Å; Y552-F564 AromaticContact CZ-CD1 3.91Å; Y552-F564 AromaticContact CZ-CD2 3.44Å; Y552-F564 VanDerWaalsContact CZ-CD2 3.44Å; Y552-F564 AromaticContact CZ-CE2 3.9Å; Y552-F564 AromaticContact CZ-CG 3.43Å; Y552-F564 VanDerWaalsContact CZ-CG 3.43Å; Y552-F564 VanDerWaalsContact OH-CB 3.3Å; Y552-F564 WeakPolarHBondContact OH-CB 3.49Å; Y552-F564 VanDerWaalsContact OH-CG 3.32Å; Y552-F564 WeakPolarHBondContact OH-CG 3.37Å; D562-F564 HydrophobicContact CB-CD2 4.14Å; D562-F564 PolarHBondContact O-N 2.8Å; D562-F564 VanDerWaalsContact O-N 3.14Å; D562-F564 VanDerWaalsContact OD1-C 3.26Å; D562-F564 VanDerWaalsContact OD1-CA 3.32Å; D562-F564 WeakPolarHBondContact OD1-CA 3.46Å; D562-F564 WeakPolarHBondContact OD1-CB 3.41Å; D562-F564 PolarHBondContact OD1-N 2.67Å; F564-E566 PolarHBondContact O-N 3.45Å; F564-R710 HydrophobicContact CD1-CG 4.17Å; F564-R710 VanDerWaalsContact CD1-NE 3.29Å; F564-R710 HydrophobicContact CE1-CG 4.37Å; F564-V785 HydrophobicContact CZ-CG1 4.28Å; F564-T786 HydrophobicContact CE1-CG2 4.27Å
565	A	79.9	Confident	86.1	Confident	53 Å²	53	58 Å²	58	44%	0.438	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.1	136.2	176.1	0	0	0	0	0	111.7	D562	D562-A565 PolarHBondContact OD1-N 3.26Å; D562-A565 VanDerWaalsContact OD1-N 3.12Å
566	E	79.9	Confident	85	Confident	155 Å²	155	60.3 Å²	60.3	72%	0.724	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-67.5	140.8	-179.8	-63.7	-62.1	166.7	0	0	111.8	F564	F564-E566 PolarHBondContact O-N 3.45Å
567	A	80	Confident	83.9	Confident	67 Å²	67	61.1 Å²	61.1	55%	0.554	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-73.8	130.6	177.3	0	0	0	0	0	110.5
568	L	83.2	Confident	82.4	Confident	77 Å²	77	59.6 Å²	59.6	40%	0.403	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68.7	146	169.9	-71.3	174.2	0	0	0	110.3	A572 F581	L568-A572 HydrophobicContact CB-CB 3.75Å; L568-A572 HydrophobicContact CD1-CB 4.26Å; L568-A572 HydrophobicContact CG-CB 4.41Å; L568-F581 HydrophobicContact CD1-CE2 3.74Å; L568-F581 HydrophobicContact CD1-CZ 3.76Å
569	P	87	Confident	81.5	Confident	73 Å²	73	62.2 Å²	62.2	47%	0.474	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-62.7	158	175.1	28.9	-35.6	0	0	0	110.7	E571 A572	P569-E571 PolarHBondContact O-N 2.91Å; P569-E571 VanDerWaalsContact O-N 3.14Å; P569-A572 HydrophobicContact CG-CB 4.26Å; P569-A572 WeakPolarHBondContact O-CB 2.92Å; P569-A572 PolarHBondContact O-N 3.12Å
570	S	86.5	Confident	80.9	Confident	74 Å²	74	61 Å²	61	52%	0.517	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.5	-173	-76.4	0	0	0	0	113.6	A572 K573	S570-A572 VanDerWaalsContact C-N 3.32Å; S570-K573 WeakPolarHBondContact O-CD 3.42Å; S570-K573 VanDerWaalsContact O-CE 3.22Å; S570-K573 WeakPolarHBondContact O-CE 3.21Å; S570-K573 WeakPolarHBondContact O-CG 2.93Å
571	E	88.1	Confident	80.8	Confident	104 Å²	104	61.3 Å²	61.3	49%	0.486	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.4	176.6	67.5	-88.6	-164.8	0	0	114.6	P569 K573 F574 R575	P569-E571 PolarHBondContact O-N 2.91Å; P569-E571 VanDerWaalsContact O-N 3.14Å; E571-K573 PolarHBondContact O-N 2.97Å; E571-F574 CarbonylContact O-C 3.57Å; E571-F574 WeakPolarHBondContact O-CA 3.33Å; E571-F574 PolarHBondContact O-N 3.06Å; E571-R575 PolarHBondContact O-N 3.28Å
572	A	83.9	Confident	80.8	Confident	6 Å²	6	62.6 Å²	62.6	5%	0.05	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.5	-175.1	0	0	0	0	0	112.1	L568 P569 S570 F574 S577	L568-A572 HydrophobicContact CB-CB 3.75Å; L568-A572 HydrophobicContact CD1-CB 4.26Å; L568-A572 HydrophobicContact CG-CB 4.41Å; P569-A572 HydrophobicContact CG-CB 4.26Å; P569-A572 WeakPolarHBondContact O-CB 2.92Å; P569-A572 PolarHBondContact O-N 3.12Å; S570-A572 VanDerWaalsContact C-N 3.32Å; A572-F574 PolarHBondContact O-N 2.98Å; A572-S577 CarbonylContact O-C 3.5Å; A572-S577 WeakPolarHBondContact O-CA 3.45Å; A572-S577 VanDerWaalsContact O-CB 3.31Å; A572-S577 WeakPolarHBondContact O-CB 3.45Å; A572-S577 PolarHBondContact O-N 2.93Å
573	K	84.2	Confident	80.9	Confident	42 Å²	42	62.8 Å²	62.8	18%	0.183	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.3	174.5	72.6	-158	178.5	-165.4	0	114.6	S570 E571 H578 F581 P583	S570-K573 WeakPolarHBondContact O-CD 3.42Å; S570-K573 VanDerWaalsContact O-CE 3.22Å; S570-K573 WeakPolarHBondContact O-CE 3.21Å; S570-K573 WeakPolarHBondContact O-CG 2.93Å; E571-K573 PolarHBondContact O-N 2.97Å; K573-H578 PolarHBondContact O-CE1 3.15Å; K573-H578 PolarHBondContact O-ND1 2.9Å; K573-F581 HydrophobicContact CB-CB 3.78Å; K573-F581 HydrophobicContact CB-CD1 3.73Å; K573-F581 HydrophobicContact CB-CD2 4.42Å; K573-F581 HydrophobicContact CB-CE1 4.41Å; K573-F581 HydrophobicContact CB-CG 3.73Å; K573-P583 HydrophobicContact CB-CG 4.15Å; K573-P583 HydrophobicContact CD-CB 4.45Å; K573-P583 HydrophobicContact CD-CG 4.04Å; K573-P583 HydrophobicContact CG-CG 3.91Å
574	F	84.5	Confident	80.8	Confident	92 Å²	92	64.2 Å²	64.2	40%	0.404	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-13.6	-178.6	-54.1	-61.5	0	0	0	114.1	E571 A572 H578 P583 G586	E571-F574 CarbonylContact O-C 3.57Å; E571-F574 WeakPolarHBondContact O-CA 3.33Å; E571-F574 PolarHBondContact O-N 3.06Å; A572-F574 PolarHBondContact O-N 2.98Å; F574-H578 WeakPolarHBondContact CA-CE1 3.36Å; F574-H578 PolarHBondContact O-CE1 2.7Å; F574-H578 PolarHBondContact O-NE2 3.38Å; F574-P583 HydrophobicContact CD1-CG 4.4Å; F574-P583 HydrophobicContact CE1-CB 3.94Å; F574-P583 HydrophobicContact CE1-CG 3.72Å; F574-P583 HydrophobicContact CZ-CB 4.16Å; F574-P583 HydrophobicContact CZ-CG 4.24Å; F574-G586 WeakPolarHBondContact CE1-O 3.39Å
575	R	79.9	Confident	81	Confident	204 Å²	204	65.8 Å²	65.8	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	86.6	-177.2	-66.8	-175.2	177.4	176	-0.7	110.8	E571 S577	E571-R575 PolarHBondContact O-N 3.28Å; R575-S577 VanDerWaalsContact C-N 3.32Å; R575-S577 PolarHBondContact O-N 2.9Å
576	G	68.9	Low	81.3	Confident	50 Å²	50	66.1 Å²	66.1	52%	0.515	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-16.1	162.3	0	0	0	0	0	117.1	H578	G576-H578 PolarHBondContact N-CD2 3.47Å; G576-H578 VanDerWaalsContact N-CD2 3.26Å; G576-H578 PolarHBondContact N-NE2 3.41Å; G576-H578 VanDerWaalsContact N-NE2 3.15Å
577	S	68.1	Low	81.8	Confident	51 Å²	51	60.7 Å²	60.7	36%	0.357	35%	0.352	S	S	.	.			trans	-100.9	23.1	173.8	-43.4	0	0	0	0	113.1	A572 R575 F579 F581	A572-S577 CarbonylContact O-C 3.5Å; A572-S577 WeakPolarHBondContact O-CA 3.45Å; A572-S577 VanDerWaalsContact O-CB 3.31Å; A572-S577 WeakPolarHBondContact O-CB 3.45Å; A572-S577 PolarHBondContact O-N 2.93Å; R575-S577 VanDerWaalsContact C-N 3.32Å; R575-S577 PolarHBondContact O-N 2.9Å; S577-F579 PolarHBondContact O-N 2.99Å; S577-F581 WeakPolarHBondContact O-CD2 3.18Å
578	H	58.9	Low	82.4	Confident	70 Å²	70	67 Å²	67	32%	0.324	36%	0.362	S	S	.	.			trans	-60.7	-4.2	-166.2	-61.8	-81.4	0	0	0	116.6	K573 F574 G576 G580 F581	K573-H578 PolarHBondContact O-CE1 3.15Å; K573-H578 PolarHBondContact O-ND1 2.9Å; F574-H578 WeakPolarHBondContact CA-CE1 3.36Å; F574-H578 PolarHBondContact O-CE1 2.7Å; F574-H578 PolarHBondContact O-NE2 3.38Å; G576-H578 PolarHBondContact N-CD2 3.47Å; G576-H578 VanDerWaalsContact N-CD2 3.26Å; G576-H578 PolarHBondContact N-NE2 3.41Å; G576-H578 VanDerWaalsContact N-NE2 3.15Å; H578-G580 PolarHBondContact O-N 2.8Å; H578-G580 VanDerWaalsContact O-N 3.08Å; H578-F581 PolarHBondContact O-N 3.39Å
579	F	67.5	Low	82.7	Confident	71 Å²	71	64.6 Å²	64.6	31%	0.311	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	119.5	-175.3	-177.2	-102.4	0	0	0	112	A125 Y127 S577 F581	A125-F579 HydrophobicContact CB-CD2 3.63Å; A125-F579 HydrophobicContact CB-CE2 4.11Å; Y127-F579 HydrophobicContact CE2-CB 4.44Å; Y127-F579 HydrophobicContact CE2-CD1 4.43Å; Y127-F579 AromaticContact CE2-CD2 3.95Å; Y127-F579 HydrophobicContact CE2-CD2 3.95Å; Y127-F579 HydrophobicContact CE2-CE2 4.29Å; Y127-F579 AromaticContact CE2-CG 4Å; Y127-F579 HydrophobicContact CE2-CG 4Å; Y127-F579 AromaticContact CZ-CG 3.93Å; Y127-F579 WeakPolarHBondContact OH-CD1 3.45Å; Y127-F579 WeakPolarHBondContact OH-CE1 3.18Å; Y127-F579 WeakPolarHBondContact OH-CG 3.39Å; S577-F579 PolarHBondContact O-N 2.99Å; F579-F581 WeakPolarHBondContact O-CD2 3.44Å; F579-F581 PolarHBondContact O-N 2.96Å
580	G	76.5	Confident	82.9	Confident	7 Å²	7	63.9 Å²	63.9	7%	0.072	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-5.4	177.5	0	0	0	0	0	115.4	H578 R582 K605	H578-G580 PolarHBondContact O-N 2.8Å; H578-G580 VanDerWaalsContact O-N 3.08Å; G580-R582 PolarHBondContact O-N 3.14Å; G580-K605 WeakPolarHBondContact O-CA 3.15Å; G580-K605 WeakPolarHBondContact O-CB 3.4Å; G580-K605 PolarHBondContact O-N 3.38Å
581	F	85.7	Confident	83.2	Confident	21 Å²	21	60.7 Å²	60.7	9%	0.092	34%	0.339	C	S	.	.			trans	-72.6	129.2	-179.2	-81.1	-84.4	0	0	0	111.5	L568 K573 S577 H578 F579 P604	L568-F581 HydrophobicContact CD1-CE2 3.74Å; L568-F581 HydrophobicContact CD1-CZ 3.76Å; K573-F581 HydrophobicContact CB-CB 3.78Å; K573-F581 HydrophobicContact CB-CD1 3.73Å; K573-F581 HydrophobicContact CB-CD2 4.42Å; K573-F581 HydrophobicContact CB-CE1 4.41Å; K573-F581 HydrophobicContact CB-CG 3.73Å; S577-F581 WeakPolarHBondContact O-CD2 3.18Å; H578-F581 PolarHBondContact O-N 3.39Å; F579-F581 WeakPolarHBondContact O-CD2 3.44Å; F579-F581 PolarHBondContact O-N 2.96Å; F581-P604 HydrophobicContact CD2-CG 4.23Å; F581-P604 HydrophobicContact CE2-CG 3.76Å; F581-P604 HydrophobicContact CZ-CG 3.92Å
582	R	86	Confident	83.3	Confident	43 Å²	43	55.8 Å²	55.8	16%	0.162	32%	0.316	C	S	.	.			trans	-123.9	83.8	173.5	-62.2	-174.5	-176.5	179.1	1.8	110.7	D117 D121 E526 G580 A598 G600	D117-R582 IonicContact OD2-NH1 2.72Å; D121-R582 IonicContact OD2-CZ 3.37Å; D121-R582 IonicContact OD2-NE 2.76Å; D121-R582 PolarHBondContact OD2-NE 3.34Å; D121-R582 IonicContact OD2-NH2 2.64Å; D121-R582 PolarHBondContact OD2-NH2 2.97Å; E526-R582 IonicContact OE1-CZ 3.8Å; E526-R582 IonicContact OE1-NH1 3.59Å; E526-R582 PolarHBondContact OE1-NH1 3.45Å; E526-R582 IonicContact OE1-NH2 3.48Å; G580-R582 PolarHBondContact O-N 3.14Å; R582-A598 HydrophobicContact CB-CB 3.96Å; R582-G600 WeakPolarHBondContact O-CA 3.45Å; R582-G600 PolarHBondContact O-N 2.89Å
583	P	88.8	Confident	83.6	Confident	27 Å²	27	61.3 Å²	61.3	18%	0.175	34%	0.339	C	S	.	.			trans	-59.1	144	177.5	-22.2	33.5	0	0	0	111.7	K573 F574 D585 G586	K573-P583 HydrophobicContact CB-CG 4.15Å; K573-P583 HydrophobicContact CD-CB 4.45Å; K573-P583 HydrophobicContact CD-CG 4.04Å; K573-P583 HydrophobicContact CG-CG 3.91Å; F574-P583 HydrophobicContact CD1-CG 4.4Å; F574-P583 HydrophobicContact CE1-CB 3.94Å; F574-P583 HydrophobicContact CE1-CG 3.72Å; F574-P583 HydrophobicContact CZ-CB 4.16Å; F574-P583 HydrophobicContact CZ-CG 4.24Å; P583-D585 PolarHBondContact O-N 2.97Å; P583-G586 PolarHBondContact O-N 3.24Å; P583-G586 VanDerWaalsContact O-N 3.12Å
584	I	91.6	Very high	84	Confident	38 Å²	38	61.4 Å²	61.4	20%	0.195	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.4	121.6	176.8	-62.6	161	0	0	0	109	G586 G587 G589 E594 F595	I584-G586 PolarHBondContact O-N 3.49Å; I584-G587 PolarHBondContact O-N 3.47Å; I584-G589 PolarHBondContact O-N 3.32Å; I584-E594 HydrophobicContact CG2-CB 4.04Å; I584-F595 HydrophobicContact CD1-CD2 3.7Å; I584-F595 HydrophobicContact CD1-CE2 4.18Å
585	D	91.6	Very high	84.3	Confident	56 Å²	56	59 Å²	59	30%	0.299	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	47.8	41.1	-174.4	-161.2	44.9	0	0	0	113.7	P583 G587 R588 G589 E594	P583-D585 PolarHBondContact O-N 2.97Å; D585-G587 PolarHBondContact O-N 2.76Å; D585-G587 VanDerWaalsContact O-N 3.16Å; D585-R588 HydrophobicContact CB-CB 4.43Å; D585-R588 VanDerWaalsContact CG-NH2 3.33Å; D585-R588 PolarHBondContact O-N 3.49Å; D585-R588 IonicContact OD1-NH2 3.17Å; D585-R588 PolarHBondContact OD1-NH2 2.81Å; D585-R588 IonicContact OD2-CZ 3.27Å; D585-R588 VanDerWaalsContact OD2-CZ 3.23Å; D585-R588 IonicContact OD2-NE 2.8Å; D585-R588 PolarHBondContact OD2-NE 3.28Å; D585-R588 IonicContact OD2-NH2 3.23Å; D585-R588 PolarHBondContact OD2-NH2 3Å; D585-G589 WeakPolarHBondContact CB-O 3.44Å; D585-E594 HydrophobicContact CB-CB 4.11Å; D585-E594 HydrophobicContact CB-CG 4.05Å
586	G	87.2	Confident	84.8	Confident	61 Å²	61	49.4 Å²	49.4	63%	0.629	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	67.1	15.1	-178.7	0	0	0	0	0	114.2	F574 P583 I584	F574-G586 WeakPolarHBondContact CE1-O 3.39Å; P583-G586 PolarHBondContact O-N 3.24Å; P583-G586 VanDerWaalsContact O-N 3.12Å; I584-G586 PolarHBondContact O-N 3.49Å
587	G	90.1	Very high	85.8	Confident	41 Å²	41	52.3 Å²	52.3	42%	0.423	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	109.9	-9.6	178.2	0	0	0	0	0	114.6	I584 D585 G589	I584-G587 PolarHBondContact O-N 3.47Å; D585-G587 PolarHBondContact O-N 2.76Å; D585-G587 VanDerWaalsContact O-N 3.16Å; G587-G589 PolarHBondContact O-N 2.92Å
588	R	91.6	Very high	86.7	Confident	199 Å²	199	50.4 Å²	50.4	75%	0.751	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15	174.9	-67	-170.5	-65.2	-115.6	-3.2	113.2	D585	D585-R588 HydrophobicContact CB-CB 4.43Å; D585-R588 VanDerWaalsContact CG-NH2 3.33Å; D585-R588 PolarHBondContact O-N 3.49Å; D585-R588 IonicContact OD1-NH2 3.17Å; D585-R588 PolarHBondContact OD1-NH2 2.81Å; D585-R588 IonicContact OD2-CZ 3.27Å; D585-R588 VanDerWaalsContact OD2-CZ 3.23Å; D585-R588 IonicContact OD2-NE 2.8Å; D585-R588 PolarHBondContact OD2-NE 3.28Å; D585-R588 IonicContact OD2-NH2 3.23Å; D585-R588 PolarHBondContact OD2-NH2 3Å
589	G	91.3	Very high	88.3	Confident	26 Å²	26	47.7 Å²	47.7	27%	0.268	27%	0.267	S	S	.	.			trans	72.8	-152.1	-171.8	0	0	0	0	0	110.6	I584 D585 G587	I584-G589 PolarHBondContact O-N 3.32Å; D585-G589 WeakPolarHBondContact CB-O 3.44Å; G587-G589 PolarHBondContact O-N 2.92Å
590	G	91.1	Very high	89.3	Confident	58 Å²	58	44.5 Å²	44.5	60%	0.598	26%	0.255	S	S	*	.			trans	147.7	-166.9	178.9	0	0	0	0	0	112
591	S	91.8	Very high	89.7	Confident	8 Å²	8	45.5 Å²	45.5	6%	0.056	27%	0.265	C	S	.	.	S	Bend	trans	-100.9	-157.2	179.8	75	0	0	0	0	109.6	K593 E594 F595 Q855	S591-K593 VanDerWaalsContact C-N 3.32Å; S591-K593 PolarHBondContact O-N 3.46Å; S591-E594 PolarHBondContact N-OE2 2.86Å; S591-E594 PolarHBondContact O-N 3.1Å; S591-E594 PolarHBondContact OG-OE2 2.66Å; S591-E594 VanDerWaalsContact OG-OE2 3.1Å; S591-F595 WeakPolarHBondContact O-CB 3.36Å; S591-F595 PolarHBondContact O-N 3.28Å; S591-Q855 VanDerWaalsContact CB-O 3.25Å; S591-Q855 WeakPolarHBondContact CB-O 3.32Å; S591-Q855 PolarHBondContact OG-N 3.07Å
592	G	91	Very high	89.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-40	-178.7	0	0	0	0	0	115	E594 F595 S596 Q855 K856	G592-E594 PolarHBondContact O-N 2.87Å; G592-F595 PolarHBondContact O-N 3.33Å; G592-S596 WeakPolarHBondContact O-CB 3.09Å; G592-S596 PolarHBondContact O-N 2.92Å; G592-S596 PolarHBondContact O-OG 3.01Å; G592-S596 VanDerWaalsContact O-OG 3.08Å; G592-Q855 PolarHBondContact N-O 3.41Å; G592-K856 VanDerWaalsContact CA-O 3.24Å; G592-K856 WeakPolarHBondContact CA-O 3.26Å
593	K	89.7	Confident	89.8	Confident	123 Å²	123	48.2 Å²	48.2	54%	0.535	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-44.3	-177.9	-176.7	-176.9	179.8	-177.6	0	111.8	S591	S591-K593 VanDerWaalsContact C-N 3.32Å; S591-K593 PolarHBondContact O-N 3.46Å
594	E	91.5	Very high	89.6	Confident	43 Å²	43	49.2 Å²	49.2	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-73.2	-42.7	178	-64.6	70.4	-139.3	0	0	110.9	I584 D585 S591 G592 S596 K597	I584-E594 HydrophobicContact CG2-CB 4.04Å; D585-E594 HydrophobicContact CB-CB 4.11Å; D585-E594 HydrophobicContact CB-CG 4.05Å; S591-E594 PolarHBondContact N-OE2 2.86Å; S591-E594 PolarHBondContact O-N 3.1Å; S591-E594 PolarHBondContact OG-OE2 2.66Å; S591-E594 VanDerWaalsContact OG-OE2 3.1Å; G592-E594 PolarHBondContact O-N 2.87Å; E594-S596 VanDerWaalsContact C-N 3.33Å; E594-S596 PolarHBondContact O-N 2.82Å; E594-K597 PolarHBondContact O-N 2.84Å
595	F	92.7	Very high	89.4	Confident	41 Å²	41	48.9 Å²	48.9	18%	0.18	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-39.3	179.8	-178.4	-100.1	0	0	0	112.7	I584 S591 G592 K597 R703 C857 F858	I584-F595 HydrophobicContact CD1-CD2 3.7Å; I584-F595 HydrophobicContact CD1-CE2 4.18Å; S591-F595 WeakPolarHBondContact O-CB 3.36Å; S591-F595 PolarHBondContact O-N 3.28Å; G592-F595 PolarHBondContact O-N 3.33Å; F595-K597 VanDerWaalsContact C-N 3.27Å; F595-K597 PolarHBondContact O-N 3.22Å; F595-R703 VanDerWaalsContact CZ-CD 3.48Å; F595-R703 VanDerWaalsContact CZ-NH1 3.3Å; F595-R703 PolarHBondContact O-NH2 2.87Å; F595-C857 HydrophobicContact CD1-CB 3.78Å; F595-C857 HydrophobicContact CE1-CB 3.9Å; F595-C857 HydrophobicContact CG-CB 4.33Å; F595-F858 AromaticContact CE1-CE2 3.7Å; F595-F858 HydrophobicContact CE1-CE2 3.7Å; F595-F858 HydrophobicContact CE1-CZ 4.03Å; F595-F858 HydrophobicContact CZ-CE2 4.37Å
596	S	90.4	Very high	89.3	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.028	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23	179.2	-70.4	0	0	0	0	113.9	F521 G523 G592 E594 A598	F521-S596 WeakPolarHBondContact O-CB 3.31Å; F521-S596 PolarHBondContact O-OG 3.06Å; G523-S596 WeakPolarHBondContact CA-O 3.48Å; G523-S596 PolarHBondContact N-O 3.44Å; G592-S596 WeakPolarHBondContact O-CB 3.09Å; G592-S596 PolarHBondContact O-N 2.92Å; G592-S596 PolarHBondContact O-OG 3.01Å; G592-S596 VanDerWaalsContact O-OG 3.08Å; E594-S596 VanDerWaalsContact C-N 3.33Å; E594-S596 PolarHBondContact O-N 2.82Å; S596-A598 VanDerWaalsContact C-N 3.33Å; S596-A598 PolarHBondContact O-N 3.12Å
597	K	88.3	Confident	89.7	Confident	110 Å²	110	43.9 Å²	43.9	48%	0.478	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.3	-177.2	-68.3	174.5	-178.2	177.6	0	114	F521 E594 F595	F521-K597 HydrophobicContact CE1-CG 4.16Å; E594-K597 PolarHBondContact O-N 2.84Å; F595-K597 VanDerWaalsContact C-N 3.27Å; F595-K597 PolarHBondContact O-N 3.22Å
598	A	88.7	Confident	90.1	Very high	12 Å²	12	42 Å²	42	10%	0.099	22%	0.224	C	C	.	.			trans	-149.3	150.1	-177.3	0	0	0	0	0	112	R582 S596 G600 R703	R582-A598 HydrophobicContact CB-CB 3.96Å; S596-A598 VanDerWaalsContact C-N 3.33Å; S596-A598 PolarHBondContact O-N 3.12Å; A598-G600 PolarHBondContact O-N 2.9Å; A598-R703 PolarHBondContact O-NH1 3.36Å; A598-R703 PolarHBondContact O-NH2 3.06Å
599	L	90.8	Very high	90.3	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.063	19%	0.188	C	C	.	.			trans	-63.2	-30.3	174.9	-69.1	173.8	0	0	0	112.9	E606 Y633 F702 R703 R706	L599-E606 WeakPolarHBondContact CD1-O 3.29Å; L599-Y633 HydrophobicContact CD1-CD1 3.69Å; L599-Y633 HydrophobicContact CD1-CE1 3.82Å; L599-Y633 HydrophobicContact CD1-CG 4.14Å; L599-Y633 HydrophobicContact CD2-CD1 4.13Å; L599-Y633 HydrophobicContact CD2-CD2 3.75Å; L599-Y633 HydrophobicContact CD2-CE1 3.92Å; L599-Y633 HydrophobicContact CD2-CE2 3.51Å; L599-Y633 HydrophobicContact CD2-CG 4.05Å; L599-Y633 HydrophobicContact CG-CD1 3.82Å; L599-Y633 HydrophobicContact CG-CD2 4.35Å; L599-Y633 HydrophobicContact CG-CE1 3.46Å; L599-Y633 VanDerWaalsContact CG-CE1 3.46Å; L599-Y633 HydrophobicContact CG-CE2 4.04Å; L599-Y633 HydrophobicContact CG-CG 4.24Å; L599-F702 HydrophobicContact CD1-CE1 3.74Å; L599-F702 HydrophobicContact CD1-CZ 4.35Å; L599-F702 HydrophobicContact CD2-CD1 4.04Å; L599-F702 HydrophobicContact CD2-CE1 3.87Å; L599-F702 HydrophobicContact CG-CE1 4.48Å; L599-R703 HydrophobicContact CD2-CG 4.23Å; L599-R703 PolarHBondContact O-NH1 2.87Å; L599-R706 PolarHBondContact O-NH1 3.4Å
600	G	89.1	Confident	90.6	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	18%	0.175	C	C	.	.			trans	59.1	-145.8	-178.6	0	0	0	0	0	113.1	R582 A598 R706	R582-G600 WeakPolarHBondContact O-CA 3.45Å; R582-G600 PolarHBondContact O-N 2.89Å; A598-G600 PolarHBondContact O-N 2.9Å; G600-R706 PolarHBondContact O-NH1 3.37Å; G600-R706 PolarHBondContact O-NH2 2.76Å
601	G	85.7	Confident	90.9	Very high	27 Å²	27	28.5 Å²	28.5	28%	0.278	15%	0.147	S	C	.	.	S	Bend	trans	76.5	-164.7	177.3	0	0	0	0	0	114.2
602	N	85.8	Confident	91.1	Very high	77 Å²	77	28.2 Å²	28.2	41%	0.412	14%	0.144	S	C	.	.	S	Bend	trans	-99.8	9.3	-176.9	-60.3	-27.9	0	0	0	113.2
603	F	86.9	Confident	91.3	Very high	45 Å²	45	29 Å²	29	20%	0.197	15%	0.148	C	C	.	.	S	Bend	trans	-120.1	149.4	179.3	-62.6	-83.5	0	0	0	110.7	R706 R709	F603-R706 VanDerWaalsContact CD2-O 3.32Å; F603-R706 WeakPolarHBondContact CD2-O 3.47Å; F603-R706 WeakPolarHBondContact CE2-O 3.45Å; F603-R706 PolarHBondContact O-NH2 2.98Å; F603-R709 VanDerWaalsContact CE1-NE 3.33Å
604	P	85.5	Confident	91.4	Very high	47 Å²	47	23.2 Å²	23.2	31%	0.305	12%	0.124	S	C	.	.			trans	-54.5	164.5	168.4	-23.6	33.8	0	0	0	112	F581 E606 R706	F581-P604 HydrophobicContact CD2-CG 4.23Å; F581-P604 HydrophobicContact CE2-CG 3.76Å; F581-P604 HydrophobicContact CZ-CG 3.92Å; P604-E606 PolarHBondContact O-N 3.1Å; P604-R706 PolarHBondContact O-NH2 2.82Å
605	K	86.1	Confident	91.3	Very high	31 Å²	31	26 Å²	26	14%	0.135	13%	0.133	C	C	.	.			trans	-53.6	136.2	169.4	167.4	176	156.9	175.4	0	109.3	E526 G580	E526-K605 IonicContact OE1-NZ 2.79Å; E526-K605 PolarHBondContact OE1-NZ 3.44Å; E526-K605 WeakPolarHBondContact OE2-CE 3.3Å; E526-K605 IonicContact OE2-NZ 3.92Å; E526-K605 PolarHBondContact OE2-NZ 3.21Å; G580-K605 WeakPolarHBondContact O-CA 3.15Å; G580-K605 WeakPolarHBondContact O-CB 3.4Å; G580-K605 PolarHBondContact O-N 3.38Å
606	E	91.3	Very high	91	Very high	13 Å²	13	28.1 Å²	28.1	6%	0.061	15%	0.146	C	C	.	.			trans	-150.2	166.3	176.5	73.4	-157.5	109.7	0	0	109.5	L599 P604 F702 R706 R709	L599-E606 WeakPolarHBondContact CD1-O 3.29Å; P604-E606 PolarHBondContact O-N 3.1Å; E606-F702 HydrophobicContact CG-CE2 4.23Å; E606-F702 HydrophobicContact CG-CZ 3.67Å; E606-R706 WeakPolarHBondContact OE1-CD 3.4Å; E606-R706 WeakPolarHBondContact OE1-CG 3.29Å; E606-R706 IonicContact OE1-CZ 3.5Å; E606-R706 IonicContact OE1-NE 3.46Å; E606-R706 PolarHBondContact OE1-NE 3.05Å; E606-R706 IonicContact OE1-NH2 2.8Å; E606-R706 PolarHBondContact OE1-NH2 3.13Å; E606-R709 IonicContact OE1-CZ 2.75Å; E606-R709 IonicContact OE1-NH1 3.6Å; E606-R709 IonicContact OE1-NH2 3.56Å; E606-R709 PolarHBondContact OE1-NH2 2.94Å; E606-R709 IonicContact OE2-CZ 3.78Å; E606-R709 VanDerWaalsContact OE2-CZ 3.25Å; E606-R709 IonicContact OE2-NH1 3.69Å; E606-R709 PolarHBondContact OE2-NH1 2.99Å; E606-R709 IonicContact OE2-NH2 3.59Å; E606-R709 PolarHBondContact OE2-NH2 3.4Å
607	Q	95.2	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.			trans	-128.4	172.8	177.4	-71.1	-173	-10.7	0	0	109.3	T527 H529 Y633 N635 T681	T527-Q607 PolarHBondContact O-NE2 2.84Å; H529-Q607 HydrophobicContact CB-CG 4.27Å; Q607-Y633 VanDerWaalsContact CA-O 3.22Å; Q607-Y633 WeakPolarHBondContact CA-O 3.3Å; Q607-Y633 WeakPolarHBondContact CB-O 3Å; Q607-Y633 WeakPolarHBondContact CG-O 3.45Å; Q607-N635 HydrophobicContact CB-CB 3.96Å; Q607-T681 HydrophobicContact CB-CG2 4.37Å; Q607-T681 WeakPolarHBondContact O-CB 3.46Å; Q607-T681 WeakPolarHBondContact O-CG2 3.41Å
608	F	97.4	Very high	90.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.9	177.1	61.4	-90.9	0	0	0	112.1	V610 L631 Y633 L634 N635 A683 L685 I698 I699 F702 F746	F608-V610 HydrophobicContact CD2-CG2 4.06Å; F608-V610 HydrophobicContact CE2-CG2 3.82Å; F608-L631 HydrophobicContact CE2-CD2 3.95Å; F608-L631 HydrophobicContact CZ-CD2 3.7Å; F608-L631 HydrophobicContact CZ-CG 4.13Å; F608-Y633 WeakPolarHBondContact CD1-O 3.22Å; F608-Y633 PolarHBondContact N-O 3.05Å; F608-L634 HydrophobicContact CD2-CD1 4.3Å; F608-L634 HydrophobicContact CE2-CD1 3.93Å; F608-N635 WeakPolarHBondContact O-CB 3.19Å; F608-N635 PolarHBondContact O-N 3.28Å; F608-A683 WeakPolarHBondContact CA-O 3.04Å; F608-A683 HydrophobicContact CB-CB 3.59Å; F608-L685 HydrophobicContact CD2-CB 4.12Å; F608-L685 HydrophobicContact CE2-CD2 4.36Å; F608-I698 HydrophobicContact CE1-CG2 4.5Å; F608-I698 HydrophobicContact CE2-CG2 4.09Å; F608-I698 HydrophobicContact CZ-CG2 3.72Å; F608-I699 HydrophobicContact CE1-CD1 4.33Å; F608-F702 HydrophobicContact CB-CD2 4.27Å; F608-F702 HydrophobicContact CB-CE2 4.03Å; F608-F702 HydrophobicContact CD1-CB 4.43Å; F608-F702 AromaticContact CD1-CD1 3.84Å; F608-F702 HydrophobicContact CD1-CD1 3.84Å; F608-F702 AromaticContact CD1-CD2 3.77Å; F608-F702 HydrophobicContact CD1-CD2 3.77Å; F608-F702 AromaticContact CD1-CE1 3.91Å; F608-F702 HydrophobicContact CD1-CE1 3.91Å; F608-F702 AromaticContact CD1-CE2 3.86Å; F608-F702 HydrophobicContact CD1-CE2 3.86Å; F608-F702 AromaticContact CD1-CG 3.75Å; F608-F702 HydrophobicContact CD1-CG 3.75Å; F608-F702 AromaticContact CD1-CZ 3.91Å; F608-F702 HydrophobicContact CD1-CZ 3.91Å; F608-F702 HydrophobicContact CE1-CB 4.46Å; F608-F702 HydrophobicContact CE1-CD1 4.03Å; F608-F702 HydrophobicContact CE1-CE1 4.38Å; F608-F702 HydrophobicContact CE1-CG 4.12Å; F608-F702 HydrophobicContact CG-CD2 4.34Å; F608-F702 HydrophobicContact CG-CE2 4.4Å; F608-F746 HydrophobicContact CB-CD1 4.49Å; F608-F746 HydrophobicContact CB-CE1 3.73Å; F608-F746 HydrophobicContact CD1-CE1 4.05Å; F608-F746 HydrophobicContact CD1-CZ 4.28Å; F608-F746 AromaticContact CD2-CE1 3.83Å; F608-F746 HydrophobicContact CD2-CE1 3.83Å; F608-F746 HydrophobicContact CD2-CZ 4.13Å; F608-F746 HydrophobicContact CE1-CZ 4.45Å; F608-F746 HydrophobicContact CE2-CE1 4.46Å; F608-F746 HydrophobicContact CE2-CZ 4.31Å; F608-F746 AromaticContact CG-CE1 3.6Å; F608-F746 HydrophobicContact CG-CE1 3.6Å; F608-F746 HydrophobicContact CG-CZ 4.12Å; F608-F746 HydrophobicContact CZ-CZ 4.47Å
609	T	97.4	Very high	90.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.6	172.3	-60.2	0	0	0	0	108.7	V611 K636 I638 I679 T681 A683 I684 L685	T609-V611 HydrophobicContact CG2-CG2 4.45Å; T609-K636 WeakPolarHBondContact CA-O 3.29Å; T609-K636 HydrophobicContact CG2-CB 4.25Å; T609-I638 HydrophobicContact CG2-CD1 3.8Å; T609-I638 HydrophobicContact CG2-CG1 4.01Å; T609-I679 HydrophobicContact CG2-CG1 4.33Å; T609-T681 VanDerWaalsContact CB-OG1 3.31Å; T609-T681 WeakPolarHBondContact CB-OG1 3.46Å; T609-T681 PolarHBondContact N-OG1 3.22Å; T609-T681 PolarHBondContact OG1-OG1 3.46Å; T609-A683 PolarHBondContact N-O 2.96Å; T609-I684 CarbonylContact O-C 3.48Å; T609-I684 WeakPolarHBondContact O-CA 3.31Å; T609-L685 PolarHBondContact O-N 3.38Å
610	V	97.2	Very high	90.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.7	172.1	179.3	0	0	0	0	108.7	F608 M612 L628 L634 K636 V637 I638 L685 I687	F608-V610 HydrophobicContact CD2-CG2 4.06Å; F608-V610 HydrophobicContact CE2-CG2 3.82Å; V610-M612 HydrophobicContact CG1-CE 3.88Å; V610-M612 HydrophobicContact CG1-CG 4.16Å; V610-L628 HydrophobicContact CB-CD1 4.38Å; V610-L628 HydrophobicContact CG1-CD1 3.95Å; V610-L628 HydrophobicContact CG2-CD1 4.32Å; V610-L634 HydrophobicContact CB-CD1 4.31Å; V610-L634 HydrophobicContact CG2-CD1 3.48Å; V610-L634 VanDerWaalsContact CG2-CD1 3.48Å; V610-K636 PolarHBondContact N-O 3.2Å; V610-V637 HydrophobicContact CB-CG1 4.31Å; V610-V637 HydrophobicContact CB-CG2 4.29Å; V610-V637 HydrophobicContact CG1-CG1 4.39Å; V610-V637 WeakPolarHBondContact O-CA 3.13Å; V610-I638 PolarHBondContact O-N 3.32Å; V610-L685 WeakPolarHBondContact CA-O 3.4Å; V610-L685 HydrophobicContact CG2-CB 4.17Å; V610-L685 HydrophobicContact CG2-CD2 4.09Å; V610-I687 HydrophobicContact CG1-CG2 3.56Å
611	V	97.1	Very high	90.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.6	174.3	176.8	0	0	0	0	108.5	T609 I638 V640 I679 I684 L685 I687	T609-V611 HydrophobicContact CG2-CG2 4.45Å; V611-I638 WeakPolarHBondContact CA-O 3.37Å; V611-I638 HydrophobicContact CG2-CB 4.37Å; V611-V640 HydrophobicContact CG1-CG2 3.9Å; V611-I679 HydrophobicContact CG2-CD1 4.05Å; V611-I679 HydrophobicContact CG2-CG1 4.44Å; V611-I684 HydrophobicContact CB-CG2 4.08Å; V611-I684 HydrophobicContact CG2-CG2 3.58Å; V611-L685 PolarHBondContact N-O 2.92Å; V611-I687 PolarHBondContact O-N 2.82Å; V611-I687 VanDerWaalsContact O-N 3.07Å
612	M	95.4	Very high	90.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.1	179.8	-83.5	-175	-84.3	0	0	110.8	V610 A624 L625 L628 V637 I638 V639 V640 I687	V610-M612 HydrophobicContact CG1-CE 3.88Å; V610-M612 HydrophobicContact CG1-CG 4.16Å; M612-A624 HydrophobicContact SD-CB 4.12Å; M612-L625 HydrophobicContact CE-CD2 3.57Å; M612-L625 HydrophobicContact CE-CG 4.36Å; M612-L628 HydrophobicContact CE-CD1 3.34Å; M612-V637 HydrophobicContact CE-CG1 3.32Å; M612-I638 PolarHBondContact N-O 3.04Å; M612-V639 CarbonylContact O-C 3.08Å; M612-V639 WeakPolarHBondContact O-CA 3.29Å; M612-V640 PolarHBondContact O-N 3.43Å; M612-I687 WeakPolarHBondContact CA-O 3.39Å; M612-I687 HydrophobicContact CG-CG2 3.25Å; M612-I687 HydrophobicContact SD-CG2 3.91Å
613	L	94.6	Very high	91	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.2	169.8	-166.8	73.5	0	0	0	108.9	V640 N642 L669 N671 R672	L613-V640 HydrophobicContact CD1-CB 3.64Å; L613-V640 HydrophobicContact CD1-CG1 3.47Å; L613-V640 VanDerWaalsContact CD1-CG1 3.47Å; L613-N642 HydrophobicContact CD1-CB 4.44Å; L613-N642 VanDerWaalsContact CD1-CG 3.44Å; L613-N642 WeakPolarHBondContact CD1-ND2 3.16Å; L613-N642 VanDerWaalsContact CD1-OD1 3.32Å; L613-N642 WeakPolarHBondContact CD1-OD1 3.18Å; L613-L669 HydrophobicContact CD2-CD2 3.78Å; L613-N671 HydrophobicContact CD1-CB 4.28Å; L613-R672 HydrophobicContact CB-CB 4.06Å; L613-R672 HydrophobicContact CD1-CB 4.1Å; L613-R672 HydrophobicContact CD2-CB 4.21Å; L613-R672 HydrophobicContact CG-CB 4.36Å
614	T	92.6	Very high	91.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148	177.5	-169.3	0	0	0	0	111.7	L621 V639 V640 W641 N642 D689	T614-L621 HydrophobicContact CG2-CD1 4.37Å; T614-L621 HydrophobicContact CG2-CD2 3.92Å; T614-V639 HydrophobicContact CG2-CG1 3.78Å; T614-V640 PolarHBondContact N-O 3.47Å; T614-V640 VanDerWaalsContact N-O 3.1Å; T614-W641 HydrophobicContact CG2-CE3 3.74Å; T614-W641 HydrophobicContact CG2-CZ3 4.1Å; T614-N642 WeakPolarHBondContact O-CB 3.45Å; T614-N642 PolarHBondContact O-N 2.95Å; T614-D689 WeakPolarHBondContact CB-OD2 3.39Å; T614-D689 PolarHBondContact OG1-OD2 3.46Å
615	Y	90	Very high	91.3	Very high	101 Å²	101	29.5 Å²	29.5	40%	0.396	14%	0.138	S	C	.	.	S	Bend	trans	-139.6	105.5	177.5	-176.2	-91.9	0	0	0	109.7	R617 N642 N667	Y615-R617 VanDerWaalsContact C-N 3.25Å; Y615-R617 WeakPolarHBondContact O-CG 3.5Å; Y615-R617 PolarHBondContact O-N 3.13Å; Y615-R617 VanDerWaalsContact O-N 3.15Å; Y615-N642 HydrophobicContact CD2-CB 4.13Å; Y615-N642 WeakPolarHBondContact CD2-O 3.37Å; Y615-N667 HydrophobicContact CE2-CB 4.4Å; Y615-N667 VanDerWaalsContact CE2-ND2 3.32Å; Y615-N667 WeakPolarHBondContact CE2-ND2 3.21Å
616	N	85	Confident	91.4	Very high	86 Å²	86	28.7 Å²	28.7	46%	0.46	14%	0.136	S	C	.	.	S	Bend	trans	51.2	36	176.2	-62.1	-3.7	0	0	0	114.8
617	R	86.4	Confident	91.2	Very high	67 Å²	67	30.1 Å²	30.1	25%	0.253	14%	0.14	S	C	.	.			trans	-126.7	50	-177.3	-75.4	178.5	177.1	-165.8	-2.2	113.1	Y615 Q619 V620 L621 D689 D690	Y615-R617 VanDerWaalsContact C-N 3.25Å; Y615-R617 WeakPolarHBondContact O-CG 3.5Å; Y615-R617 PolarHBondContact O-N 3.13Å; Y615-R617 VanDerWaalsContact O-N 3.15Å; R617-Q619 PolarHBondContact O-N 2.91Å; R617-V620 HydrophobicContact CB-CB 4.39Å; R617-V620 PolarHBondContact O-N 3.26Å; R617-L621 WeakPolarHBondContact O-CB 3.42Å; R617-L621 PolarHBondContact O-N 3.05Å; R617-D689 WeakPolarHBondContact CB-OD2 3.36Å; R617-D689 IonicContact NH1-OD1 3.18Å; R617-D689 PolarHBondContact NH1-OD1 3.29Å; R617-D690 IonicContact NH1-OD2 2.93Å; R617-D690 PolarHBondContact NH1-OD2 3.42Å
618	E	88.8	Confident	90.9	Very high	35 Å²	35	30.6 Å²	30.6	16%	0.164	14%	0.143	C	C	.	.	H	α-helix	trans	-54.5	-48.1	-172.9	-68.5	176.3	-174.2	0	0	114.4	V620 L621 I622 W641 P647 S648 L651	E618-V620 VanDerWaalsContact C-N 3.33Å; E618-V620 PolarHBondContact O-N 3.1Å; E618-L621 WeakPolarHBondContact O-CB 3.22Å; E618-L621 PolarHBondContact O-N 3.21Å; E618-I622 VanDerWaalsContact O-CG1 3.29Å; E618-I622 WeakPolarHBondContact O-CG1 3.39Å; E618-I622 PolarHBondContact O-N 3.45Å; E618-W641 HydrophobicContact CG-CH2 3.82Å; E618-W641 HydrophobicContact CG-CZ3 4.34Å; E618-P647 VanDerWaalsContact OE1-CA 3.23Å; E618-P647 WeakPolarHBondContact OE1-CA 3.44Å; E618-S648 VanDerWaalsContact CD-OG 3.24Å; E618-S648 PolarHBondContact OE1-N 3.25Å; E618-S648 PolarHBondContact OE1-OG 3.36Å; E618-S648 VanDerWaalsContact OE1-OG 3.1Å; E618-S648 WeakPolarHBondContact OE2-CB 3.4Å; E618-S648 PolarHBondContact OE2-OG 3.26Å; E618-L651 HydrophobicContact CB-CD1 3.88Å; E618-L651 HydrophobicContact CG-CD1 4.22Å; E618-L651 HydrophobicContact CG-CD2 4.01Å
619	Q	88.1	Confident	90.3	Very high	147 Å²	147	30.9 Å²	30.9	69%	0.687	15%	0.145	S	C	*	.	H	α-helix	trans	-63.1	-39.7	-178.3	-66.8	-177.7	-5.4	0	0	112.6	R617 Q623	R617-Q619 PolarHBondContact O-N 2.91Å; Q619-Q623 WeakPolarHBondContact O-CG 3.42Å; Q619-Q623 PolarHBondContact O-N 2.9Å
620	V	89	Confident	89.5	Confident	22 Å²	22	36 Å²	36	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-68.9	-44.6	179.2	-171.9	0	0	0	0	109.5	R617 E618 I622 Q623 A624 D689 D690 M803	R617-V620 HydrophobicContact CB-CB 4.39Å; R617-V620 PolarHBondContact O-N 3.26Å; E618-V620 VanDerWaalsContact C-N 3.33Å; E618-V620 PolarHBondContact O-N 3.1Å; V620-I622 PolarHBondContact O-N 2.88Å; V620-Q623 PolarHBondContact O-N 2.93Å; V620-A624 PolarHBondContact O-N 3.38Å; V620-D689 WeakPolarHBondContact CG1-O 3.36Å; V620-D690 HydrophobicContact CG1-CB 4.3Å; V620-M803 HydrophobicContact CG2-CB 4.31Å
621	L	90.2	Very high	89.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-49	175.1	175.5	70.1	0	0	0	112.4	T614 R617 E618 Q623 A624 L625 V639 W641 W653 D689	T614-L621 HydrophobicContact CG2-CD1 4.37Å; T614-L621 HydrophobicContact CG2-CD2 3.92Å; R617-L621 WeakPolarHBondContact O-CB 3.42Å; R617-L621 PolarHBondContact O-N 3.05Å; E618-L621 WeakPolarHBondContact O-CB 3.22Å; E618-L621 PolarHBondContact O-N 3.21Å; L621-Q623 VanDerWaalsContact C-N 3.3Å; L621-Q623 PolarHBondContact O-N 3.34Å; L621-A624 WeakPolarHBondContact O-CB 3.27Å; L621-A624 PolarHBondContact O-N 3.04Å; L621-A624 VanDerWaalsContact O-N 3.12Å; L621-L625 HydrophobicContact CD1-CD1 4.32Å; L621-L625 HydrophobicContact CD1-CG 4.39Å; L621-L625 HydrophobicContact CG-CD1 4.03Å; L621-L625 HydrophobicContact CG-CG 4.49Å; L621-L625 WeakPolarHBondContact O-CG 3.47Å; L621-L625 PolarHBondContact O-N 3.32Å; L621-V639 HydrophobicContact CD1-CG1 4.18Å; L621-V639 HydrophobicContact CD1-CG2 4.09Å; L621-V639 HydrophobicContact CD2-CG1 4.05Å; L621-W641 HydrophobicContact CD2-CZ3 4.38Å; L621-W653 HydrophobicContact CD2-CH2 3.92Å; L621-W653 HydrophobicContact CD2-CZ3 3.91Å; L621-D689 HydrophobicContact CD1-CB 4.46Å
622	I	89.6	Confident	88.7	Confident	18 Å²	18	36.5 Å²	36.5	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-40.4	179.7	-65.7	-62.6	0	0	0	110.8	M509 E618 V620 A624 L625 L626 L651 V652 W653	M509-I622 HydrophobicContact CE-CG2 3.85Å; M509-I622 HydrophobicContact SD-CG2 4.14Å; E618-I622 VanDerWaalsContact O-CG1 3.29Å; E618-I622 WeakPolarHBondContact O-CG1 3.39Å; E618-I622 PolarHBondContact O-N 3.45Å; V620-I622 PolarHBondContact O-N 2.88Å; I622-A624 PolarHBondContact O-N 2.76Å; I622-L625 HydrophobicContact CD1-CD1 4.28Å; I622-L625 PolarHBondContact O-N 3.46Å; I622-L626 HydrophobicContact CG2-CD1 4.09Å; I622-L626 HydrophobicContact CG2-CG 4.47Å; I622-L626 WeakPolarHBondContact O-CG 3.37Å; I622-L626 PolarHBondContact O-N 3.38Å; I622-L651 HydrophobicContact CD1-CD1 3.93Å; I622-L651 HydrophobicContact CG1-CD1 3.77Å; I622-V652 WeakPolarHBondContact CD1-O 3.32Å; I622-W653 HydrophobicContact CD1-CD2 4.49Å; I622-W653 HydrophobicContact CD1-CE3 4.17Å
623	Q	87.1	Confident	88.5	Confident	65 Å²	65	36.7 Å²	36.7	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-64.5	-38.4	174.5	-72.4	-172.5	12.7	0	0	112.7	Q619 V620 L621 R627	Q619-Q623 WeakPolarHBondContact O-CG 3.42Å; Q619-Q623 PolarHBondContact O-N 2.9Å; V620-Q623 PolarHBondContact O-N 2.93Å; L621-Q623 VanDerWaalsContact C-N 3.3Å; L621-Q623 PolarHBondContact O-N 3.34Å; Q623-R627 WeakPolarHBondContact O-CG 3.39Å; Q623-R627 PolarHBondContact O-N 3.49Å
624	A	89.3	Confident	88.5	Confident	13 Å²	13	37.2 Å²	37.2	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-45.2	175.2	0	0	0	0	0	111.2	M612 V620 L621 I622 L626 R627	M612-A624 HydrophobicContact SD-CB 4.12Å; V620-A624 PolarHBondContact O-N 3.38Å; L621-A624 WeakPolarHBondContact O-CB 3.27Å; L621-A624 PolarHBondContact O-N 3.04Å; L621-A624 VanDerWaalsContact O-N 3.12Å; I622-A624 PolarHBondContact O-N 2.76Å; A624-L626 PolarHBondContact O-N 2.79Å; A624-R627 PolarHBondContact O-N 3.48Å
625	L	90.5	Very high	88.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-42.4	177.4	-69.6	169.2	0	0	0	112.8	M612 L621 I622 R627 L628 V637 V639 W653 P654 T657 P659	M612-L625 HydrophobicContact CE-CD2 3.57Å; M612-L625 HydrophobicContact CE-CG 4.36Å; L621-L625 HydrophobicContact CD1-CD1 4.32Å; L621-L625 HydrophobicContact CD1-CG 4.39Å; L621-L625 HydrophobicContact CG-CD1 4.03Å; L621-L625 HydrophobicContact CG-CG 4.49Å; L621-L625 WeakPolarHBondContact O-CG 3.47Å; L621-L625 PolarHBondContact O-N 3.32Å; I622-L625 HydrophobicContact CD1-CD1 4.28Å; I622-L625 PolarHBondContact O-N 3.46Å; L625-R627 PolarHBondContact O-N 2.91Å; L625-L628 PolarHBondContact O-N 3.46Å; L625-L628 VanDerWaalsContact O-N 3.11Å; L625-V637 HydrophobicContact CD2-CG1 3.63Å; L625-V639 HydrophobicContact CD2-CG2 4.13Å; L625-W653 HydrophobicContact CD1-CE3 3.83Å; L625-W653 HydrophobicContact CD1-CZ3 3.81Å; L625-P654 HydrophobicContact CB-CG 3.87Å; L625-P654 HydrophobicContact CD1-CG 4.44Å; L625-T657 PolarHBondContact O-OG1 2.83Å; L625-P659 HydrophobicContact CD1-CG 3.97Å; L625-P659 HydrophobicContact CD2-CB 4.09Å; L625-P659 HydrophobicContact CD2-CG 4.1Å
626	L	87.7	Confident	88.7	Confident	15 Å²	15	35 Å²	35	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-26.6	178.4	-76.4	171.1	0	0	0	113.2	M509 V512 I622 A624 L628 A629 P654	M509-L626 HydrophobicContact CB-CD1 4.47Å; M509-L626 HydrophobicContact CB-CD2 3.84Å; V512-L626 HydrophobicContact CB-CB 4.48Å; V512-L626 HydrophobicContact CG2-CB 3.86Å; V512-L626 HydrophobicContact CG2-CD1 4.14Å; I622-L626 HydrophobicContact CG2-CD1 4.09Å; I622-L626 HydrophobicContact CG2-CG 4.47Å; I622-L626 WeakPolarHBondContact O-CG 3.37Å; I622-L626 PolarHBondContact O-N 3.38Å; A624-L626 PolarHBondContact O-N 2.79Å; L626-L628 VanDerWaalsContact C-N 3.35Å; L626-A629 WeakPolarHBondContact O-CB 3.41Å; L626-P654 HydrophobicContact CD2-CB 3.63Å; L626-P654 HydrophobicContact CD2-CG 4.42Å; L626-P654 HydrophobicContact CG-CB 4.28Å
627	R	86.3	Confident	89.2	Confident	42 Å²	42	31.4 Å²	31.4	16%	0.158	15%	0.149	C	C	.	.	H	α-helix	trans	-77.6	-19.8	176.1	-68.8	174.9	-163.5	-139.1	10.1	113.2	V512 Q623 A624 L625 A629 Q692 H695	V512-R627 HydrophobicContact CB-CG 4.17Å; V512-R627 HydrophobicContact CG1-CG 4.41Å; Q623-R627 WeakPolarHBondContact O-CG 3.39Å; Q623-R627 PolarHBondContact O-N 3.49Å; A624-R627 PolarHBondContact O-N 3.48Å; L625-R627 PolarHBondContact O-N 2.91Å; R627-A629 VanDerWaalsContact C-N 3.28Å; R627-Q692 VanDerWaalsContact CZ-CD 3.43Å; R627-Q692 VanDerWaalsContact NH2-NE2 3.11Å; R627-H695 PolarHBondContact O-CD2 2.93Å; R627-H695 PolarHBondContact O-NE2 3.1Å
628	L	89	Confident	89.6	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.052	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.1	175.9	-60	176.4	0	0	0	112.7	V610 M612 L625 L626 E630 L631 L634 V637 T657 I698	V610-L628 HydrophobicContact CB-CD1 4.38Å; V610-L628 HydrophobicContact CG1-CD1 3.95Å; V610-L628 HydrophobicContact CG2-CD1 4.32Å; M612-L628 HydrophobicContact CE-CD1 3.34Å; L625-L628 PolarHBondContact O-N 3.46Å; L625-L628 VanDerWaalsContact O-N 3.11Å; L626-L628 VanDerWaalsContact C-N 3.35Å; L628-E630 PolarHBondContact O-N 3.49Å; L628-L631 HydrophobicContact CD2-CD2 3.85Å; L628-L631 VanDerWaalsContact O-CB 3.22Å; L628-L631 WeakPolarHBondContact O-CB 3.33Å; L628-L631 PolarHBondContact O-N 3.26Å; L628-L634 HydrophobicContact CB-CD2 4.45Å; L628-V637 HydrophobicContact CD1-CG1 4.26Å; L628-V637 HydrophobicContact CD1-CG2 4.01Å; L628-T657 HydrophobicContact CB-CG2 4.14Å; L628-I698 HydrophobicContact CD2-CD1 4.08Å
629	A	84.3	Confident	89.9	Confident	7 Å²	7	26.5 Å²	26.5	6%	0.058	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	136.6	175.6	0	0	0	0	0	110.6	P511 L626 R627 L631 H695	P511-A629 HydrophobicContact CB-CB 4.02Å; L626-A629 WeakPolarHBondContact O-CB 3.41Å; R627-A629 VanDerWaalsContact C-N 3.28Å; A629-L631 PolarHBondContact O-N 3.34Å; A629-L631 VanDerWaalsContact O-N 3.12Å; A629-H695 PolarHBondContact O-CE1 3.14Å; A629-H695 VanDerWaalsContact O-CE1 3.26Å
630	E	81.4	Confident	90.2	Very high	106 Å²	106	19.5 Å²	19.5	50%	0.495	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	20.9	179	-56.9	179.3	-176.5	0	0	114.5	V525 L628 P632	V525-E630 HydrophobicContact CG2-CB 4.26Å; V525-E630 WeakPolarHBondContact CG2-O 3.37Å; L628-E630 PolarHBondContact O-N 3.49Å; E630-P632 WeakPolarHBondContact O-CD 3.14Å
631	L	88.2	Confident	90.4	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	9%	0.091	C	C	.	.			trans	-68.1	123.1	175.6	-179.3	64.6	0	0	0	110.9	F608 L628 A629 L634 H695 I698 I699	F608-L631 HydrophobicContact CE2-CD2 3.95Å; F608-L631 HydrophobicContact CZ-CD2 3.7Å; F608-L631 HydrophobicContact CZ-CG 4.13Å; L628-L631 HydrophobicContact CD2-CD2 3.85Å; L628-L631 VanDerWaalsContact O-CB 3.22Å; L628-L631 WeakPolarHBondContact O-CB 3.33Å; L628-L631 PolarHBondContact O-N 3.26Å; A629-L631 PolarHBondContact O-N 3.34Å; A629-L631 VanDerWaalsContact O-N 3.12Å; L631-L634 HydrophobicContact CB-CB 4.25Å; L631-L634 HydrophobicContact CB-CD2 4.21Å; L631-L634 HydrophobicContact CD2-CB 4.36Å; L631-L634 HydrophobicContact CD2-CD2 4.4Å; L631-L634 HydrophobicContact CG-CB 4.34Å; L631-L634 WeakPolarHBondContact O-CB 3.45Å; L631-H695 HydrophobicContact CD1-CB 4Å; L631-I698 HydrophobicContact CD1-CB 4.42Å; L631-I698 HydrophobicContact CD1-CD1 4.36Å; L631-I698 HydrophobicContact CD1-CG2 4.38Å; L631-I698 HydrophobicContact CD2-CD1 4.13Å; L631-I698 HydrophobicContact CD2-CG2 4.18Å; L631-I699 HydrophobicContact CD1-CD1 4.07Å
632	P	88.9	Confident	90.5	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.039	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	147.9	176.6	-25.9	36.9	0	0	0	112.7	L522 E630 L634 I699	L522-P632 HydrophobicContact CB-CG 4.28Å; E630-P632 WeakPolarHBondContact O-CD 3.14Å; P632-L634 PolarHBondContact O-N 3.37Å; P632-L634 VanDerWaalsContact O-N 3.09Å; P632-I699 HydrophobicContact CB-CD1 4.33Å; P632-I699 WeakPolarHBondContact O-CD1 3.5Å
633	Y	92.3	Very high	90.3	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.027	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	12.9	177.6	-41.1	-74.3	0	0	0	115.9	L599 Q607 F608 I699 F702	L599-Y633 HydrophobicContact CD1-CD1 3.69Å; L599-Y633 HydrophobicContact CD1-CE1 3.82Å; L599-Y633 HydrophobicContact CD1-CG 4.14Å; L599-Y633 HydrophobicContact CD2-CD1 4.13Å; L599-Y633 HydrophobicContact CD2-CD2 3.75Å; L599-Y633 HydrophobicContact CD2-CE1 3.92Å; L599-Y633 HydrophobicContact CD2-CE2 3.51Å; L599-Y633 HydrophobicContact CD2-CG 4.05Å; L599-Y633 HydrophobicContact CG-CD1 3.82Å; L599-Y633 HydrophobicContact CG-CD2 4.35Å; L599-Y633 HydrophobicContact CG-CE1 3.46Å; L599-Y633 VanDerWaalsContact CG-CE1 3.46Å; L599-Y633 HydrophobicContact CG-CE2 4.04Å; L599-Y633 HydrophobicContact CG-CG 4.24Å; Q607-Y633 VanDerWaalsContact CA-O 3.22Å; Q607-Y633 WeakPolarHBondContact CA-O 3.3Å; Q607-Y633 WeakPolarHBondContact CB-O 3Å; Q607-Y633 WeakPolarHBondContact CG-O 3.45Å; F608-Y633 WeakPolarHBondContact CD1-O 3.22Å; F608-Y633 PolarHBondContact N-O 3.05Å; Y633-I699 HydrophobicContact CD2-CD1 3.98Å; Y633-F702 HydrophobicContact CG-CE1 4.23Å
634	L	93	Very high	90.2	Very high	27 Å²	27	22 Å²	22	14%	0.141	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.4	171.3	179.5	62.5	0	0	0	110.1	F608 V610 L628 L631 P632 K636 V637	F608-L634 HydrophobicContact CD2-CD1 4.3Å; F608-L634 HydrophobicContact CE2-CD1 3.93Å; V610-L634 HydrophobicContact CB-CD1 4.31Å; V610-L634 HydrophobicContact CG2-CD1 3.48Å; V610-L634 VanDerWaalsContact CG2-CD1 3.48Å; L628-L634 HydrophobicContact CB-CD2 4.45Å; L631-L634 HydrophobicContact CB-CB 4.25Å; L631-L634 HydrophobicContact CB-CD2 4.21Å; L631-L634 HydrophobicContact CD2-CB 4.36Å; L631-L634 HydrophobicContact CD2-CD2 4.4Å; L631-L634 HydrophobicContact CG-CB 4.34Å; L631-L634 WeakPolarHBondContact O-CB 3.45Å; P632-L634 PolarHBondContact O-N 3.37Å; P632-L634 VanDerWaalsContact O-N 3.09Å; L634-K636 WeakPolarHBondContact CD1-O 3.2Å; L634-V637 HydrophobicContact CD1-CG2 4.14Å; L634-V637 HydrophobicContact CD2-CG2 3.89Å; L634-V637 HydrophobicContact CG-CG2 4.46Å
635	N	94	Very high	90	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-59.6	173.2	178.8	-82.6	0	0	0	110.8	P528 H529 Q607 F608 T681	P528-N635 WeakPolarHBondContact CB-O 3.33Å; P528-N635 VanDerWaalsContact CG-O 3.29Å; P528-N635 WeakPolarHBondContact CG-O 3.29Å; H529-N635 VanDerWaalsContact C-ND2 3.27Å; H529-N635 PolarHBondContact N-ND2 2.86Å; H529-N635 PolarHBondContact O-ND2 3.38Å; Q607-N635 HydrophobicContact CB-CB 3.96Å; F608-N635 WeakPolarHBondContact O-CB 3.19Å; F608-N635 PolarHBondContact O-N 3.28Å; N635-T681 HydrophobicContact CB-CG2 3.48Å; N635-T681 VanDerWaalsContact CB-CG2 3.48Å
636	K	93.5	Very high	89.7	Confident	50 Å²	50	29.2 Å²	29.2	22%	0.217	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.2	-177	-75.3	171.8	-162	176	0	110.7	T609 V610 L634 I660 E678 E680	T609-K636 WeakPolarHBondContact CA-O 3.29Å; T609-K636 HydrophobicContact CG2-CB 4.25Å; V610-K636 PolarHBondContact N-O 3.2Å; L634-K636 WeakPolarHBondContact CD1-O 3.2Å; K636-I660 HydrophobicContact CD-CD1 3.96Å; K636-E678 PolarHBondContact NZ-O 3.2Å; K636-E680 WeakPolarHBondContact CE-OE2 3.28Å; K636-E680 IonicContact NZ-OE1 2.75Å; K636-E680 PolarHBondContact NZ-OE1 3.04Å; K636-E680 IonicContact NZ-OE2 3.38Å; K636-E680 PolarHBondContact NZ-OE2 3.26Å
637	V	94.6	Very high	89.6	Confident	10 Å²	10	29.1 Å²	29.1	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.2	167.2	-174.4	0	0	0	0	108.4	V610 M612 L625 L628 L634 T657 P659 I660	V610-V637 HydrophobicContact CB-CG1 4.31Å; V610-V637 HydrophobicContact CB-CG2 4.29Å; V610-V637 HydrophobicContact CG1-CG1 4.39Å; V610-V637 WeakPolarHBondContact O-CA 3.13Å; M612-V637 HydrophobicContact CE-CG1 3.32Å; L625-V637 HydrophobicContact CD2-CG1 3.63Å; L628-V637 HydrophobicContact CD1-CG1 4.26Å; L628-V637 HydrophobicContact CD1-CG2 4.01Å; L634-V637 HydrophobicContact CD1-CG2 4.14Å; L634-V637 HydrophobicContact CD2-CG2 3.89Å; L634-V637 HydrophobicContact CG-CG2 4.46Å; V637-T657 HydrophobicContact CG2-CG2 3.93Å; V637-P659 HydrophobicContact CB-CB 4.18Å; V637-P659 HydrophobicContact CG1-CB 4.15Å; V637-P659 CarbonylContact O-C 3.58Å; V637-P659 VanDerWaalsContact O-CA 3.31Å; V637-P659 WeakPolarHBondContact O-CA 3.26Å; V637-P659 WeakPolarHBondContact O-CB 3.33Å; V637-I660 PolarHBondContact O-N 2.82Å
638	I	95.6	Very high	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.9	175.5	-62.6	175.8	0	0	0	107.8	T609 V610 V611 M612 V640 I660 L662 F676 E678 I679	T609-I638 HydrophobicContact CG2-CD1 3.8Å; T609-I638 HydrophobicContact CG2-CG1 4.01Å; V610-I638 PolarHBondContact O-N 3.32Å; V611-I638 WeakPolarHBondContact CA-O 3.37Å; V611-I638 HydrophobicContact CG2-CB 4.37Å; M612-I638 PolarHBondContact N-O 3.04Å; I638-V640 HydrophobicContact CG2-CG2 4.26Å; I638-I660 CarbonylContact C-O 3.31Å; I638-I660 WeakPolarHBondContact CA-O 3.29Å; I638-L662 HydrophobicContact CG2-CD1 3.66Å; I638-L662 HydrophobicContact CG2-CG 4.05Å; I638-F676 HydrophobicContact CG2-CD2 4.41Å; I638-E678 HydrophobicContact CD1-CB 3.83Å; I638-I679 HydrophobicContact CD1-CB 4.47Å; I638-I679 HydrophobicContact CD1-CD1 4.41Å; I638-I679 HydrophobicContact CD1-CG1 3.42Å; I638-I679 VanDerWaalsContact CD1-CG1 3.42Å
639	V	94.9	Very high	89.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117	171.6	174.3	0	0	0	0	107.8	M612 T614 L621 L625 W653 P659 I660 V661 L662	M612-V639 CarbonylContact O-C 3.08Å; M612-V639 WeakPolarHBondContact O-CA 3.29Å; T614-V639 HydrophobicContact CG2-CG1 3.78Å; L621-V639 HydrophobicContact CD1-CG1 4.18Å; L621-V639 HydrophobicContact CD1-CG2 4.09Å; L621-V639 HydrophobicContact CD2-CG1 4.05Å; L625-V639 HydrophobicContact CD2-CG2 4.13Å; V639-W653 HydrophobicContact CG1-CH2 4.47Å; V639-W653 HydrophobicContact CG2-CZ3 4.39Å; V639-P659 HydrophobicContact CB-CB 4.49Å; V639-P659 HydrophobicContact CG2-CB 3.69Å; V639-P659 HydrophobicContact CG2-CG 3.83Å; V639-I660 PolarHBondContact N-O 3.29Å; V639-V661 HydrophobicContact CB-CG2 4.27Å; V639-V661 HydrophobicContact CG1-CG1 4.48Å; V639-V661 WeakPolarHBondContact O-CA 3.37Å; V639-L662 PolarHBondContact O-N 2.91Å
640	V	95.3	Very high	89.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.4	174.4	-173.9	0	0	0	0	107.6	V611 M612 L613 T614 I638 N642 P664 N671 F676	V611-V640 HydrophobicContact CG1-CG2 3.9Å; M612-V640 PolarHBondContact O-N 3.43Å; L613-V640 HydrophobicContact CD1-CB 3.64Å; L613-V640 HydrophobicContact CD1-CG1 3.47Å; L613-V640 VanDerWaalsContact CD1-CG1 3.47Å; T614-V640 PolarHBondContact N-O 3.47Å; T614-V640 VanDerWaalsContact N-O 3.1Å; I638-V640 HydrophobicContact CG2-CG2 4.26Å; V640-N642 PolarHBondContact O-N 3.37Å; V640-P664 HydrophobicContact CG1-CG 3.98Å; V640-N671 HydrophobicContact CG1-CB 3.83Å; V640-F676 HydrophobicContact CG1-CZ 4.16Å; V640-F676 HydrophobicContact CG2-CE2 3.51Å; V640-F676 HydrophobicContact CG2-CZ 3.77Å
641	W	93.2	Very high	89.4	Confident	3 Å²	3	40 Å²	40	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	101.8	-178.8	-170	-93.4	0	0	0	110.3	T614 E618 L621 G643 S645 P647 V661 L662	T614-W641 HydrophobicContact CG2-CE3 3.74Å; T614-W641 HydrophobicContact CG2-CZ3 4.1Å; E618-W641 HydrophobicContact CG-CH2 3.82Å; E618-W641 HydrophobicContact CG-CZ3 4.34Å; L621-W641 HydrophobicContact CD2-CZ3 4.38Å; W641-G643 PolarHBondContact NE1-O 2.91Å; W641-S645 PolarHBondContact NE1-O 3.48Å; W641-P647 HydrophobicContact CD2-CG 4.13Å; W641-P647 HydrophobicContact CE3-CG 4.19Å; W641-P647 HydrophobicContact CH2-CB 3.65Å; W641-P647 HydrophobicContact CH2-CG 3.67Å; W641-P647 HydrophobicContact CZ2-CB 3.85Å; W641-P647 HydrophobicContact CZ2-CG 3.6Å; W641-P647 HydrophobicContact CZ3-CB 4.23Å; W641-P647 HydrophobicContact CZ3-CG 3.97Å; W641-V661 HydrophobicContact CB-CG1 4.09Å; W641-L662 PolarHBondContact N-O 2.74Å
642	N	92.3	Very high	89.3	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.027	23%	0.232	C	C	.	.			trans	-87.7	-5.6	176.4	-88.3	13.4	0	0	0	113.5	L613 T614 Y615 V640 S668 N671	L613-N642 HydrophobicContact CD1-CB 4.44Å; L613-N642 VanDerWaalsContact CD1-CG 3.44Å; L613-N642 WeakPolarHBondContact CD1-ND2 3.16Å; L613-N642 VanDerWaalsContact CD1-OD1 3.32Å; L613-N642 WeakPolarHBondContact CD1-OD1 3.18Å; T614-N642 WeakPolarHBondContact O-CB 3.45Å; T614-N642 PolarHBondContact O-N 2.95Å; Y615-N642 HydrophobicContact CD2-CB 4.13Å; Y615-N642 WeakPolarHBondContact CD2-O 3.37Å; V640-N642 PolarHBondContact O-N 3.37Å; N642-S668 PolarHBondContact ND2-O 3.27Å; N642-N671 PolarHBondContact OD1-ND2 3.13Å
643	G	85.9	Confident	89.2	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	23%	0.23	C	C	.	.			trans	-63.1	134.8	177.7	0	0	0	0	0	111.6	W641 S645	W641-G643 PolarHBondContact NE1-O 2.91Å; G643-S645 VanDerWaalsContact C-N 3.34Å
644	E	83.3	Confident	88.7	Confident	147 Å²	147	41.9 Å²	41.9	69%	0.687	23%	0.229	S	C	*	.	S	Bend	trans	-70.5	-33.5	174.1	-67.6	-179.6	-176.4	0	0	111.6	R663	E644-R663 PolarHBondContact O-NH2 3.49Å
645	S	85.8	Confident	87.8	Confident	67 Å²	67	46.4 Å²	46.4	47%	0.469	25%	0.247	S	C	.	.	S	Bend	trans	-84.3	155.8	172.6	54.6	0	0	0	0	111.5	W641 G643	W641-S645 PolarHBondContact NE1-O 3.48Å; G643-S645 VanDerWaalsContact C-N 3.34Å
646	D	84.9	Confident	86.3	Confident	96 Å²	96	50.3 Å²	50.3	51%	0.513	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-61.9	155.3	165.2	-66.1	-22.8	0	0	0	110.1	M497 R663	M497-D646 HydrophobicContact CE-CB 3.8Å; M497-D646 WeakPolarHBondContact CE-OD1 3.19Å; D646-R663 IonicContact OD1-CZ 3.23Å; D646-R663 IonicContact OD1-NH1 3.34Å; D646-R663 PolarHBondContact OD1-NH1 3.06Å; D646-R663 IonicContact OD1-NH2 2.87Å; D646-R663 PolarHBondContact OD1-NH2 2.95Å
647	P	85.8	Confident	85	Confident	13 Å²	13	48.5 Å²	48.5	8%	0.084	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-55.9	153.9	168	-16.7	27.7	0	0	0	111.3	M497 E618 W641 I649 L651	M497-P647 HydrophobicContact CE-CG 3.94Å; M497-P647 WeakPolarHBondContact SD-CD 3.41Å; M497-P647 HydrophobicContact SD-CG 3.75Å; E618-P647 VanDerWaalsContact OE1-CA 3.23Å; E618-P647 WeakPolarHBondContact OE1-CA 3.44Å; W641-P647 HydrophobicContact CD2-CG 4.13Å; W641-P647 HydrophobicContact CE3-CG 4.19Å; W641-P647 HydrophobicContact CH2-CB 3.65Å; W641-P647 HydrophobicContact CH2-CG 3.67Å; W641-P647 HydrophobicContact CZ2-CB 3.85Å; W641-P647 HydrophobicContact CZ2-CG 3.6Å; W641-P647 HydrophobicContact CZ3-CB 4.23Å; W641-P647 HydrophobicContact CZ3-CG 3.97Å; P647-I649 PolarHBondContact O-N 3.22Å; P647-L651 HydrophobicContact CB-CB 4.44Å; P647-L651 HydrophobicContact CB-CD2 3.52Å; P647-L651 HydrophobicContact CG-CD2 4.41Å
648	S	86	Confident	83.7	Confident	64 Å²	64	50.6 Å²	50.6	45%	0.448	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-52.9	140.2	176.7	-51.7	0	0	0	0	110.7	E618 D650 L651	E618-S648 VanDerWaalsContact CD-OG 3.24Å; E618-S648 PolarHBondContact OE1-N 3.25Å; E618-S648 PolarHBondContact OE1-OG 3.36Å; E618-S648 VanDerWaalsContact OE1-OG 3.1Å; E618-S648 WeakPolarHBondContact OE2-CB 3.4Å; E618-S648 PolarHBondContact OE2-OG 3.26Å; S648-D650 PolarHBondContact O-N 3.33Å; S648-D650 VanDerWaalsContact O-N 3.17Å; S648-L651 WeakPolarHBondContact O-CB 3.39Å; S648-L651 PolarHBondContact O-N 2.83Å
649	I	82.4	Confident	83.2	Confident	171 Å²	171	51 Å²	51	88%	0.877	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.2	178.2	-69.1	157.2	0	0	0	111.6	P647 L651	P647-I649 PolarHBondContact O-N 3.22Å; I649-L651 VanDerWaalsContact C-N 3.28Å; I649-L651 PolarHBondContact O-N 3.42Å
650	D	83.2	Confident	82.7	Confident	148 Å²	148	52.8 Å²	52.8	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	0.9	178.5	-57.6	-37.4	0	0	0	113.5	S648 V652	S648-D650 PolarHBondContact O-N 3.33Å; S648-D650 VanDerWaalsContact O-N 3.17Å; D650-V652 PolarHBondContact O-N 2.81Å
651	L	85.6	Confident	82.4	Confident	12 Å²	12	53 Å²	53	6%	0.063	29%	0.292	C	S	.	.			trans	-70.1	119.8	-179.9	-176.8	62.8	0	0	0	110.3	P505 E618 I622 P647 S648 I649 W653	P505-L651 WeakPolarHBondContact CG-O 3.14Å; E618-L651 HydrophobicContact CB-CD1 3.88Å; E618-L651 HydrophobicContact CG-CD1 4.22Å; E618-L651 HydrophobicContact CG-CD2 4.01Å; I622-L651 HydrophobicContact CD1-CD1 3.93Å; I622-L651 HydrophobicContact CG1-CD1 3.77Å; P647-L651 HydrophobicContact CB-CB 4.44Å; P647-L651 HydrophobicContact CB-CD2 3.52Å; P647-L651 HydrophobicContact CG-CD2 4.41Å; S648-L651 WeakPolarHBondContact O-CB 3.39Å; S648-L651 PolarHBondContact O-N 2.83Å; I649-L651 VanDerWaalsContact C-N 3.28Å; I649-L651 PolarHBondContact O-N 3.42Å; L651-W653 HydrophobicContact CD2-CH2 4.19Å; L651-W653 HydrophobicContact CD2-CZ2 3.5Å; L651-W653 HydrophobicContact CG-CZ2 4.47Å
652	V	85.3	Confident	82.1	Confident	56 Å²	56	52.8 Å²	52.8	34%	0.339	29%	0.291	S	S	.	.			trans	-114.7	128.4	176.8	-170.7	0	0	0	0	110.2	M509 I622 D650	M509-V652 WeakPolarHBondContact CE-O 3.46Å; I622-V652 WeakPolarHBondContact CD1-O 3.32Å; D650-V652 PolarHBondContact O-N 2.81Å
653	W	86.6	Confident	81.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147.9	-176.2	-60	85.2	0	0	0	111.7	Y498 M504 P505 V506 S507 M509 L621 I622 L625 V639 L651 K655 P659 V661	Y498-W653 AromaticContact CE2-CE2 3.87Å; Y498-W653 AromaticContact CE2-CZ2 3.89Å; Y498-W653 HydrophobicContact CE2-CZ2 3.89Å; Y498-W653 AromaticContact CE2-NE1 3.68Å; Y498-W653 AromaticContact CZ-NE1 3.49Å; Y498-W653 PolarHBondContact OH-NE1 2.85Å; Y498-W653 VanDerWaalsContact OH-NE1 3.1Å; M504-W653 HydrophobicContact CE-CD2 4.16Å; M504-W653 HydrophobicContact CE-CG 4.21Å; M504-W653 HydrophobicContact CG-CB 3.84Å; M504-W653 HydrophobicContact CG-CD2 4.43Å; M504-W653 HydrophobicContact CG-CG 3.61Å; M504-W653 HydrophobicContact SD-CB 3.49Å; M504-W653 WeakPolarHBondContact SD-CB 3.46Å; M504-W653 HydrophobicContact SD-CD2 4.06Å; M504-W653 HydrophobicContact SD-CG 3.53Å; M504-W653 VanDerWaalsContact SD-CG 3.53Å; P505-W653 PolarHBondContact O-N 3.16Å; V506-W653 CarbonylContact C-O 3.39Å; V506-W653 VanDerWaalsContact CA-O 3.26Å; V506-W653 WeakPolarHBondContact CA-O 3.28Å; V506-W653 HydrophobicContact CG1-CB 4.25Å; S507-W653 PolarHBondContact N-O 2.94Å; M509-W653 VanDerWaalsContact CE-C 3.46Å; L621-W653 HydrophobicContact CD2-CH2 3.92Å; L621-W653 HydrophobicContact CD2-CZ3 3.91Å; I622-W653 HydrophobicContact CD1-CD2 4.49Å; I622-W653 HydrophobicContact CD1-CE3 4.17Å; L625-W653 HydrophobicContact CD1-CE3 3.83Å; L625-W653 HydrophobicContact CD1-CZ3 3.81Å; V639-W653 HydrophobicContact CG1-CH2 4.47Å; V639-W653 HydrophobicContact CG2-CZ3 4.39Å; L651-W653 HydrophobicContact CD2-CH2 4.19Å; L651-W653 HydrophobicContact CD2-CZ2 3.5Å; L651-W653 HydrophobicContact CG-CZ2 4.47Å; W653-K655 PolarHBondContact O-N 2.94Å; W653-P659 HydrophobicContact CE3-CG 3.5Å; W653-P659 HydrophobicContact CZ3-CG 3.62Å; W653-V661 HydrophobicContact CE3-CG2 4.42Å; W653-V661 HydrophobicContact CH2-CG1 4.41Å; W653-V661 HydrophobicContact CH2-CG2 3.55Å; W653-V661 HydrophobicContact CZ2-CG2 3.83Å; W653-V661 HydrophobicContact CZ3-CG2 3.87Å
654	P	82.6	Confident	81.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.8	177.6	26.6	-32.2	0	0	0	111	M509 L625 L626 L656 T657 A658	M509-P654 HydrophobicContact CE-CB 3.89Å; M509-P654 HydrophobicContact CE-CG 4.39Å; M509-P654 VanDerWaalsContact CE-N 3.29Å; L625-P654 HydrophobicContact CB-CG 3.87Å; L625-P654 HydrophobicContact CD1-CG 4.44Å; L626-P654 HydrophobicContact CD2-CB 3.63Å; L626-P654 HydrophobicContact CD2-CG 4.42Å; L626-P654 HydrophobicContact CG-CB 4.28Å; P654-L656 VanDerWaalsContact C-N 3.28Å; P654-L656 PolarHBondContact O-N 2.93Å; P654-T657 CarbonylContact O-C 3.44Å; P654-T657 VanDerWaalsContact O-C 3.31Å; P654-T657 PolarHBondContact O-N 3.38Å; P654-T657 VanDerWaalsContact O-N 3.16Å; P654-A658 WeakPolarHBondContact O-CA 3.35Å; P654-A658 PolarHBondContact O-N 3.25Å
655	K	72.7	Confident	81.9	Confident	122 Å²	122	54.2 Å²	54.2	53%	0.53	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-59.6	-36.6	179.4	-168.4	-171.9	-173.6	176	0	113.3	V506 S507 D508 W653 T657	V506-K655 HydrophobicContact CB-CB 4.21Å; V506-K655 HydrophobicContact CG2-CG 4.38Å; S507-K655 PolarHBondContact O-N 2.76Å; D508-K655 WeakPolarHBondContact OD1-CD 3.45Å; D508-K655 IonicContact OD1-NZ 2.84Å; W653-K655 PolarHBondContact O-N 2.94Å; K655-T657 PolarHBondContact O-N 2.91Å
656	L	63.9	Low	82.1	Confident	88 Å²	88	57 Å²	57	46%	0.461	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-65.4	-25.4	-179.5	-67.8	167	0	0	0	113.1	P654	P654-L656 VanDerWaalsContact C-N 3.28Å; P654-L656 PolarHBondContact O-N 2.93Å
657	T	64.6	Low	82.4	Confident	13 Å²	13	54.3 Å²	54.3	8%	0.08	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-133.4	33.5	-174.9	-35.6	0	0	0	0	110.3	L625 L628 V637 P654 K655 P659	L625-T657 PolarHBondContact O-OG1 2.83Å; L628-T657 HydrophobicContact CB-CG2 4.14Å; V637-T657 HydrophobicContact CG2-CG2 3.93Å; P654-T657 CarbonylContact O-C 3.44Å; P654-T657 VanDerWaalsContact O-C 3.31Å; P654-T657 PolarHBondContact O-N 3.38Å; P654-T657 VanDerWaalsContact O-N 3.16Å; K655-T657 PolarHBondContact O-N 2.91Å; T657-P659 WeakPolarHBondContact O-CD 3.31Å
658	A	69.2	Low	82.9	Confident	54 Å²	54	53.9 Å²	53.9	45%	0.446	30%	0.302	S	S	.	.			trans	-57.2	108.6	-173.9	0	0	0	0	0	109.1	M504 V506 P654	M504-A658 HydrophobicContact SD-CB 4.04Å; V506-A658 HydrophobicContact CG1-CB 4.3Å; P654-A658 WeakPolarHBondContact O-CA 3.35Å; P654-A658 PolarHBondContact O-N 3.25Å
659	P	84.2	Confident	83.3	Confident	7 Å²	7	52.4 Å²	52.4	5%	0.045	29%	0.289	C	S	.	.			trans	-80.4	164.9	-171.9	32.5	-33.3	0	0	0	110.4	M504 L625 V637 V639 W653 T657 V661	M504-P659 HydrophobicContact CE-CG 4.38Å; M504-P659 WeakPolarHBondContact CE-O 3.26Å; L625-P659 HydrophobicContact CD1-CG 3.97Å; L625-P659 HydrophobicContact CD2-CB 4.09Å; L625-P659 HydrophobicContact CD2-CG 4.1Å; V637-P659 HydrophobicContact CB-CB 4.18Å; V637-P659 HydrophobicContact CG1-CB 4.15Å; V637-P659 CarbonylContact O-C 3.58Å; V637-P659 VanDerWaalsContact O-CA 3.31Å; V637-P659 WeakPolarHBondContact O-CA 3.26Å; V637-P659 WeakPolarHBondContact O-CB 3.33Å; V639-P659 HydrophobicContact CB-CB 4.49Å; V639-P659 HydrophobicContact CG2-CB 3.69Å; V639-P659 HydrophobicContact CG2-CG 3.83Å; W653-P659 HydrophobicContact CE3-CG 3.5Å; W653-P659 HydrophobicContact CZ3-CG 3.62Å; T657-P659 WeakPolarHBondContact O-CD 3.31Å; P659-V661 HydrophobicContact CG-CG2 4.17Å
660	I	84.5	Confident	84	Confident	39 Å²	39	44.9 Å²	44.9	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.2	163.5	-57.2	171.6	0	0	0	107.4	Q496 K636 V637 I638 V639 L662 E678	Q496-I660 HydrophobicContact CG-CG2 3.93Å; K636-I660 HydrophobicContact CD-CD1 3.96Å; V637-I660 PolarHBondContact O-N 2.82Å; I638-I660 CarbonylContact C-O 3.31Å; I638-I660 WeakPolarHBondContact CA-O 3.29Å; V639-I660 PolarHBondContact N-O 3.29Å; I660-L662 HydrophobicContact CG2-CD2 3.86Å; I660-L662 HydrophobicContact CG2-CG 4.29Å; I660-E678 HydrophobicContact CD1-CB 4.21Å; I660-E678 HydrophobicContact CD1-CG 4.08Å; I660-E678 HydrophobicContact CG2-CG 4.23Å
661	V	87.8	Confident	84.6	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.2	-178.8	-173.7	0	0	0	0	109.2	M497 Y498 M504 V639 W641 W653 P659	M497-V661 HydrophobicContact CB-CB 4.21Å; M497-V661 HydrophobicContact CB-CG1 4.05Å; M497-V661 PolarHBondContact N-O 2.77Å; M497-V661 HydrophobicContact SD-CG1 4.43Å; Y498-V661 HydrophobicContact CD2-CB 3.95Å; Y498-V661 HydrophobicContact CD2-CG2 3.96Å; Y498-V661 HydrophobicContact CE2-CB 4.01Å; Y498-V661 HydrophobicContact CE2-CG1 4.35Å; Y498-V661 HydrophobicContact CE2-CG2 3.87Å; M504-V661 HydrophobicContact CE-CG2 3.71Å; V639-V661 HydrophobicContact CB-CG2 4.27Å; V639-V661 HydrophobicContact CG1-CG1 4.48Å; V639-V661 WeakPolarHBondContact O-CA 3.37Å; W641-V661 HydrophobicContact CB-CG1 4.09Å; W653-V661 HydrophobicContact CE3-CG2 4.42Å; W653-V661 HydrophobicContact CH2-CG1 4.41Å; W653-V661 HydrophobicContact CH2-CG2 3.55Å; W653-V661 HydrophobicContact CZ2-CG2 3.83Å; W653-V661 HydrophobicContact CZ3-CG2 3.87Å; P659-V661 HydrophobicContact CG-CG2 4.17Å
662	L	88	Confident	85.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.2	-178.5	-59.7	-177.7	0	0	0	110.3	V494 Q496 I638 V639 W641 I660 F676	V494-L662 HydrophobicContact CB-CB 4.4Å; V494-L662 HydrophobicContact CG1-CB 4.01Å; Q496-L662 HydrophobicContact CG-CD2 3.63Å; I638-L662 HydrophobicContact CG2-CD1 3.66Å; I638-L662 HydrophobicContact CG2-CG 4.05Å; V639-L662 PolarHBondContact O-N 2.91Å; W641-L662 PolarHBondContact N-O 2.74Å; I660-L662 HydrophobicContact CG2-CD2 3.86Å; I660-L662 HydrophobicContact CG2-CG 4.29Å; L662-F676 HydrophobicContact CD1-CB 3.89Å; L662-F676 HydrophobicContact CD1-CD1 3.54Å; L662-F676 HydrophobicContact CD1-CD2 3.94Å; L662-F676 HydrophobicContact CD1-CE1 3.97Å; L662-F676 HydrophobicContact CD1-CE2 4.35Å; L662-F676 HydrophobicContact CD1-CG 3.51Å; L662-F676 HydrophobicContact CD1-CZ 4.35Å
663	R	88.7	Confident	85.6	Confident	76 Å²	76	35.4 Å²	35.4	29%	0.287	20%	0.198	S	C	.	.			trans	-122.7	97.7	177.9	-169	-175.7	-168.6	173.1	8.7	111.5	V494 P495 E644 D646 G665	V494-R663 VanDerWaalsContact CG1-O 3.3Å; V494-R663 WeakPolarHBondContact CG1-O 3.37Å; P495-R663 PolarHBondContact O-N 2.83Å; E644-R663 PolarHBondContact O-NH2 3.49Å; D646-R663 IonicContact OD1-CZ 3.23Å; D646-R663 IonicContact OD1-NH1 3.34Å; D646-R663 PolarHBondContact OD1-NH1 3.06Å; D646-R663 IonicContact OD1-NH2 2.87Å; D646-R663 PolarHBondContact OD1-NH2 2.95Å; R663-G665 PolarHBondContact O-N 2.88Å; R663-G665 VanDerWaalsContact O-N 3.17Å
664	P	85.4	Confident	86.2	Confident	38 Å²	38	36.8 Å²	36.8	25%	0.247	21%	0.205	C	C	.	.			trans	-67.9	-9.5	179.9	-22.9	35.4	0	0	0	115.2	V494 V640 K666 N671 L674 F676	V494-P664 HydrophobicContact CG1-CG 4.27Å; V640-P664 HydrophobicContact CG1-CG 3.98Å; P664-K666 PolarHBondContact O-N 3.07Å; P664-N671 HydrophobicContact CG-CB 4.03Å; P664-L674 HydrophobicContact CB-CD1 4.4Å; P664-L674 HydrophobicContact CG-CD1 4.37Å; P664-F676 HydrophobicContact CG-CE1 4.48Å
665	G	83.4	Confident	86.8	Confident	70 Å²	70	36.8 Å²	36.8	72%	0.722	21%	0.205	S	C	*	.	S	Bend	trans	89.9	-13.1	171.9	0	0	0	0	0	116.2	R663	R663-G665 PolarHBondContact O-N 2.88Å; R663-G665 VanDerWaalsContact O-N 3.17Å
666	K	89.2	Confident	88	Confident	125 Å²	125	31 Å²	31	54%	0.543	18%	0.18	S	C	.	.	S	Bend	trans	-128.6	139	174.2	-178.3	-170.1	176.6	-168	0	110.2	P664 S668 N671 D768	P664-K666 PolarHBondContact O-N 3.07Å; K666-S668 PolarHBondContact O-N 2.9Å; K666-S668 VanDerWaalsContact O-N 3.14Å; K666-N671 PolarHBondContact O-ND2 3.26Å; K666-D768 IonicContact NZ-OD2 3.1Å; K666-D768 PolarHBondContact NZ-OD2 2.92Å
667	N	92	Very high	89.5	Confident	40 Å²	40	28.5 Å²	28.5	21%	0.214	17%	0.172	C	C	.	.			trans	-68.2	107.2	168.2	-177.4	16.1	0	0	0	110.1	Y615	Y615-N667 HydrophobicContact CE2-CB 4.4Å; Y615-N667 VanDerWaalsContact CE2-ND2 3.32Å; Y615-N667 WeakPolarHBondContact CE2-ND2 3.21Å
668	S	95.1	Very high	90.9	Very high	4 Å²	4	29 Å²	29	3%	0.028	17%	0.174	C	C	.	.			trans	-151.9	133.7	-179.3	171.6	0	0	0	0	110.6	N642 K666 N670 N671 D768	N642-S668 PolarHBondContact ND2-O 3.27Å; K666-S668 PolarHBondContact O-N 2.9Å; K666-S668 VanDerWaalsContact O-N 3.14Å; S668-N670 PolarHBondContact O-N 2.97Å; S668-N670 WeakPolarHBondContact OG-CB 3.27Å; S668-N670 PolarHBondContact OG-N 3.23Å; S668-N670 VanDerWaalsContact OG-N 3.14Å; S668-N670 PolarHBondContact OG-ND2 3.14Å; S668-N671 WeakPolarHBondContact O-CB 3.35Å; S668-N671 PolarHBondContact O-N 3.33Å; S668-N671 PolarHBondContact O-ND2 3Å; S668-D768 VanDerWaalsContact CB-OD1 3.32Å; S668-D768 WeakPolarHBondContact CB-OD1 3.42Å; S668-D768 PolarHBondContact OG-OD1 2.88Å
669	L	95	Very high	92.2	Very high	34 Å²	34	26.5 Å²	26.5	18%	0.178	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-68.3	-22.9	174.1	-62.7	-178.1	0	0	0	112.4	L613 N671 R672 V767 M771 E774	L613-L669 HydrophobicContact CD2-CD2 3.78Å; L669-N671 PolarHBondContact O-N 3.26Å; L669-R672 WeakPolarHBondContact O-CG 3.23Å; L669-R672 PolarHBondContact O-N 3.05Å; L669-V767 HydrophobicContact CB-CG1 4.17Å; L669-M771 VanDerWaalsContact CD1-C 3.4Å; L669-M771 WeakPolarHBondContact CD1-O 3.49Å; L669-E774 HydrophobicContact CB-CB 4.08Å; L669-E774 HydrophobicContact CB-CG 4.02Å; L669-E774 WeakPolarHBondContact CD1-OE2 3.36Å
670	N	96.6	Very high	92.6	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.064	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.8	175.9	-66.1	-66	0	0	0	112.4	S668 R672 F673 Y755 R764 D768	S668-N670 PolarHBondContact O-N 2.97Å; S668-N670 WeakPolarHBondContact OG-CB 3.27Å; S668-N670 PolarHBondContact OG-N 3.23Å; S668-N670 VanDerWaalsContact OG-N 3.14Å; S668-N670 PolarHBondContact OG-ND2 3.14Å; N670-R672 PolarHBondContact O-N 3.14Å; N670-R672 VanDerWaalsContact O-N 3.08Å; N670-F673 PolarHBondContact O-N 3.46Å; N670-Y755 HydrophobicContact CB-CE1 4.3Å; N670-Y755 WeakPolarHBondContact OD1-CE1 3.38Å; N670-Y755 PolarHBondContact OD1-OH 3.16Å; N670-R764 PolarHBondContact ND2-O 2.96Å; N670-D768 PolarHBondContact ND2-OD1 3.46Å
671	N	96.3	Very high	93.2	Very high	16 Å²	16	26.8 Å²	26.8	9%	0.086	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-55.8	-29.7	-177.3	-70.4	-18.6	0	0	0	113.4	L613 V640 N642 P664 K666 S668 L669 F673 L674 F676	L613-N671 HydrophobicContact CD1-CB 4.28Å; V640-N671 HydrophobicContact CG1-CB 3.83Å; N642-N671 PolarHBondContact OD1-ND2 3.13Å; P664-N671 HydrophobicContact CG-CB 4.03Å; K666-N671 PolarHBondContact O-ND2 3.26Å; S668-N671 WeakPolarHBondContact O-CB 3.35Å; S668-N671 PolarHBondContact O-N 3.33Å; S668-N671 PolarHBondContact O-ND2 3Å; L669-N671 PolarHBondContact O-N 3.26Å; N671-F673 PolarHBondContact O-N 3.24Å; N671-L674 HydrophobicContact CB-CD1 4.32Å; N671-L674 WeakPolarHBondContact O-CG 3.32Å; N671-L674 PolarHBondContact O-N 2.82Å; N671-F676 WeakPolarHBondContact O-CZ 3.34Å
672	R	95.2	Very high	93.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-67.6	-20.2	-178.9	79.6	-176	-58.8	166.7	14.6	113.9	L613 L669 N670 S686 I687 D688 F752 E774	L613-R672 HydrophobicContact CB-CB 4.06Å; L613-R672 HydrophobicContact CD1-CB 4.1Å; L613-R672 HydrophobicContact CD2-CB 4.21Å; L613-R672 HydrophobicContact CG-CB 4.36Å; L669-R672 WeakPolarHBondContact O-CG 3.23Å; L669-R672 PolarHBondContact O-N 3.05Å; N670-R672 PolarHBondContact O-N 3.14Å; N670-R672 VanDerWaalsContact O-N 3.08Å; R672-S686 PolarHBondContact NE-OG 3.4Å; R672-S686 PolarHBondContact NH2-OG 2.99Å; R672-S686 VanDerWaalsContact NH2-OG 3.08Å; R672-I687 PolarHBondContact NH2-O 3Å; R672-D688 IonicContact CZ-OD1 2.65Å; R672-D688 IonicContact NH1-OD1 2.64Å; R672-D688 PolarHBondContact NH1-OD1 2.93Å; R672-D688 IonicContact NH2-OD1 3.7Å; R672-D688 PolarHBondContact NH2-OD1 2.98Å; R672-F752 VanDerWaalsContact O-CE1 3.27Å; R672-F752 WeakPolarHBondContact O-CE1 3.35Å; R672-E774 IonicContact NH1-OE1 3.92Å; R672-E774 PolarHBondContact NH1-OE1 3.3Å
673	F	97.7	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-105.7	9.9	-178	-58	-52.1	0	0	0	113.1	N670 N671 T742 I747 F752 Y755 E774 M778	N670-F673 PolarHBondContact O-N 3.46Å; N671-F673 PolarHBondContact O-N 3.24Å; F673-T742 HydrophobicContact CE1-CG2 4.18Å; F673-T742 HydrophobicContact CZ-CG2 3.94Å; F673-T742 WeakPolarHBondContact CZ-OG1 3.27Å; F673-I747 HydrophobicContact CE1-CD1 4.17Å; F673-F752 VanDerWaalsContact C-CD1 3.41Å; F673-F752 HydrophobicContact CB-CD1 4.47Å; F673-F752 HydrophobicContact CD1-CD2 4.49Å; F673-F752 HydrophobicContact CD1-CE1 4.36Å; F673-F752 AromaticContact CD1-CE2 3.91Å; F673-F752 HydrophobicContact CD1-CE2 3.91Å; F673-F752 AromaticContact CD1-CZ 3.83Å; F673-F752 HydrophobicContact CD1-CZ 3.83Å; F673-F752 WeakPolarHBondContact O-CA 3.49Å; F673-F752 WeakPolarHBondContact O-CB 3.49Å; F673-F752 VanDerWaalsContact O-CD1 3.25Å; F673-F752 WeakPolarHBondContact O-CD1 3.36Å; F673-F752 WeakPolarHBondContact O-CG 3.47Å; F673-Y755 HydrophobicContact CB-CD1 3.73Å; F673-Y755 HydrophobicContact CB-CE1 4.12Å; F673-Y755 HydrophobicContact CB-CG 4.02Å; F673-Y755 HydrophobicContact CD2-CD1 4.11Å; F673-Y755 HydrophobicContact CD2-CD2 4.18Å; F673-Y755 AromaticContact CD2-CE1 3.76Å; F673-Y755 HydrophobicContact CD2-CE1 3.76Å; F673-Y755 AromaticContact CD2-CE2 3.82Å; F673-Y755 HydrophobicContact CD2-CE2 3.82Å; F673-Y755 HydrophobicContact CD2-CG 4.31Å; F673-Y755 AromaticContact CD2-CZ 3.6Å; F673-Y755 HydrophobicContact CE2-CE2 4.18Å; F673-Y755 HydrophobicContact CG-CD1 4.35Å; F673-Y755 HydrophobicContact CG-CE1 4.42Å; F673-Y755 HydrophobicContact CG-CG 4.45Å; F673-E774 HydrophobicContact CE2-CB 3.82Å; F673-E774 HydrophobicContact CE2-CG 3.65Å; F673-E774 WeakPolarHBondContact CE2-O 3.46Å; F673-E774 HydrophobicContact CZ-CG 4.2Å; F673-M778 HydrophobicContact CB-CE 3.88Å; F673-M778 HydrophobicContact CD1-CE 3.43Å; F673-M778 VanDerWaalsContact CD1-CE 3.43Å; F673-M778 HydrophobicContact CD2-CE 3.96Å; F673-M778 HydrophobicContact CE1-CE 3.86Å; F673-M778 HydrophobicContact CE1-CG 4.4Å; F673-M778 HydrophobicContact CE2-CB 4.21Å; F673-M778 HydrophobicContact CE2-CE 4.31Å; F673-M778 HydrophobicContact CG-CE 3.49Å; F673-M778 VanDerWaalsContact CG-CE 3.49Å; F673-M778 HydrophobicContact CZ-CB 4.05Å; F673-M778 HydrophobicContact CZ-CE 4.27Å; F673-M778 HydrophobicContact CZ-CG 4.36Å
674	L	97.4	Very high	94.5	Very high	29 Å²	29	24.9 Å²	24.9	15%	0.152	15%	0.147	C	C	.	.			trans	-67	133.2	174.2	-65	171.9	0	0	0	109.7	V492 P664 N671 F676 T756	V492-L674 HydrophobicContact CB-CB 4.45Å; V492-L674 HydrophobicContact CG1-CD1 4.45Å; V492-L674 HydrophobicContact CG2-CB 4.4Å; V492-L674 HydrophobicContact CG2-CD2 4.31Å; P664-L674 HydrophobicContact CB-CD1 4.4Å; P664-L674 HydrophobicContact CG-CD1 4.37Å; N671-L674 HydrophobicContact CB-CD1 4.32Å; N671-L674 WeakPolarHBondContact O-CG 3.32Å; N671-L674 PolarHBondContact O-N 2.82Å; L674-F676 HydrophobicContact CB-CD1 4.06Å; L674-F676 HydrophobicContact CB-CD2 4.49Å; L674-F676 HydrophobicContact CB-CE1 3.65Å; L674-F676 HydrophobicContact CB-CE2 4.11Å; L674-F676 HydrophobicContact CB-CG 4.48Å; L674-F676 HydrophobicContact CB-CZ 3.69Å; L674-F676 HydrophobicContact CD1-CE1 3.72Å; L674-F676 HydrophobicContact CD1-CZ 3.93Å; L674-F676 HydrophobicContact CG-CE1 4.32Å; L674-F676 HydrophobicContact CG-CZ 4.32Å; L674-F676 WeakPolarHBondContact O-CD2 3.28Å; L674-F676 PolarHBondContact O-N 3.31Å; L674-T756 HydrophobicContact CD2-CG2 4.08Å
675	P	96.4	Very high	95.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.			trans	-75.5	74.7	174.9	31.7	-34.9	0	0	0	109.5	V492 F752 Y753 T756 Y757	V492-P675 HydrophobicContact CG2-CG 4Å; V492-P675 PolarHBondContact N-O 3.27Å; P675-F752 HydrophobicContact CB-CB 4.12Å; P675-Y753 HydrophobicContact CB-CD1 3.62Å; P675-Y753 HydrophobicContact CB-CD2 4.33Å; P675-Y753 HydrophobicContact CB-CE1 3.51Å; P675-Y753 HydrophobicContact CB-CE2 4.28Å; P675-Y753 HydrophobicContact CB-CG 4.03Å; P675-Y753 HydrophobicContact CG-CD1 3.56Å; P675-Y753 HydrophobicContact CG-CE1 3.79Å; P675-Y753 HydrophobicContact CG-CG 4.2Å; P675-T756 WeakPolarHBondContact CD-OG1 3.43Å; P675-Y757 HydrophobicContact CG-CE2 3.93Å
676	F	97.2	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-59.3	140.8	-179.8	-58.2	-66.3	0	0	0	111.4	V492 V494 I638 V640 L662 P664 N671 L674 E678 I679	V492-F676 WeakPolarHBondContact O-CA 3.16Å; V494-F676 HydrophobicContact CB-CD1 4.33Å; V494-F676 HydrophobicContact CB-CE1 4.3Å; V494-F676 HydrophobicContact CG2-CD1 3.82Å; V494-F676 HydrophobicContact CG2-CE1 3.63Å; I638-F676 HydrophobicContact CG2-CD2 4.41Å; V640-F676 HydrophobicContact CG1-CZ 4.16Å; V640-F676 HydrophobicContact CG2-CE2 3.51Å; V640-F676 HydrophobicContact CG2-CZ 3.77Å; L662-F676 HydrophobicContact CD1-CB 3.89Å; L662-F676 HydrophobicContact CD1-CD1 3.54Å; L662-F676 HydrophobicContact CD1-CD2 3.94Å; L662-F676 HydrophobicContact CD1-CE1 3.97Å; L662-F676 HydrophobicContact CD1-CE2 4.35Å; L662-F676 HydrophobicContact CD1-CG 3.51Å; L662-F676 HydrophobicContact CD1-CZ 4.35Å; P664-F676 HydrophobicContact CG-CE1 4.48Å; N671-F676 WeakPolarHBondContact O-CZ 3.34Å; L674-F676 HydrophobicContact CB-CD1 4.06Å; L674-F676 HydrophobicContact CB-CD2 4.49Å; L674-F676 HydrophobicContact CB-CE1 3.65Å; L674-F676 HydrophobicContact CB-CE2 4.11Å; L674-F676 HydrophobicContact CB-CG 4.48Å; L674-F676 HydrophobicContact CB-CZ 3.69Å; L674-F676 HydrophobicContact CD1-CE1 3.72Å; L674-F676 HydrophobicContact CD1-CZ 3.93Å; L674-F676 HydrophobicContact CG-CE1 4.32Å; L674-F676 HydrophobicContact CG-CZ 4.32Å; L674-F676 WeakPolarHBondContact O-CD2 3.28Å; L674-F676 PolarHBondContact O-N 3.31Å; F676-E678 PolarHBondContact O-N 3.31Å; F676-I679 HydrophobicContact CB-CD1 4.14Å; F676-I679 HydrophobicContact CB-CG1 4.16Å; F676-I679 HydrophobicContact CD2-CD1 3.98Å; F676-I679 WeakPolarHBondContact O-CB 3.21Å; F676-I679 PolarHBondContact O-N 3.31Å
677	A	94.8	Very high	96.1	Very high	36 Å²	36	14.2 Å²	14.2	30%	0.298	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.4	176.3	0	0	0	0	0	112.5	D491 V492 I493 I679	D491-A677 HydrophobicContact CB-CB 3.85Å; V492-A677 PolarHBondContact O-N 2.9Å; V492-A677 VanDerWaalsContact O-N 3.12Å; I493-A677 HydrophobicContact CG1-CB 4.41Å; A677-I679 VanDerWaalsContact C-N 3.27Å; A677-I679 PolarHBondContact O-N 3.03Å
678	E	94.8	Very high	96.1	Very high	25 Å²	25	14.6 Å²	14.6	12%	0.117	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.1	177.1	-69.3	80.8	-178.4	0	0	114.2	Q496 K636 I638 I660 F676 E680	Q496-E678 PolarHBondContact NE2-OE1 3.38Å; K636-E678 PolarHBondContact NZ-O 3.2Å; I638-E678 HydrophobicContact CD1-CB 3.83Å; I660-E678 HydrophobicContact CD1-CB 4.21Å; I660-E678 HydrophobicContact CD1-CG 4.08Å; I660-E678 HydrophobicContact CG2-CG 4.23Å; F676-E678 PolarHBondContact O-N 3.31Å; E678-E680 PolarHBondContact O-N 3.19Å
679	I	96.3	Very high	95.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.081	C	C	.	.			trans	-77.8	102.3	175.1	-59.6	168.7	0	0	0	108.7	T609 V611 I638 F676 A677 I684 K749 F752	T609-I679 HydrophobicContact CG2-CG1 4.33Å; V611-I679 HydrophobicContact CG2-CD1 4.05Å; V611-I679 HydrophobicContact CG2-CG1 4.44Å; I638-I679 HydrophobicContact CD1-CB 4.47Å; I638-I679 HydrophobicContact CD1-CD1 4.41Å; I638-I679 HydrophobicContact CD1-CG1 3.42Å; I638-I679 VanDerWaalsContact CD1-CG1 3.42Å; F676-I679 HydrophobicContact CB-CD1 4.14Å; F676-I679 HydrophobicContact CB-CG1 4.16Å; F676-I679 HydrophobicContact CD2-CD1 3.98Å; F676-I679 WeakPolarHBondContact O-CB 3.21Å; F676-I679 PolarHBondContact O-N 3.31Å; A677-I679 VanDerWaalsContact C-N 3.27Å; A677-I679 PolarHBondContact O-N 3.03Å; I679-I684 HydrophobicContact CD1-CD1 4.03Å; I679-I684 HydrophobicContact CG2-CD1 3.89Å; I679-I684 HydrophobicContact CG2-CG1 3.82Å; I679-K749 HydrophobicContact CB-CD 4.39Å; I679-K749 HydrophobicContact CG2-CD 3.92Å; I679-K749 HydrophobicContact CG2-CG 4.32Å; I679-K749 WeakPolarHBondContact O-CE 3.42Å; I679-K749 PolarHBondContact O-NZ 2.9Å; I679-F752 HydrophobicContact CD1-CD1 4.41Å; I679-F752 HydrophobicContact CD1-CE1 4.44Å
680	E	93.3	Very high	95.6	Very high	49 Å²	49	15.1 Å²	15.1	23%	0.229	8%	0.082	C	C	.	.			trans	-103.7	9.8	-177.6	-65.3	174.2	157.8	0	0	113.1	K530 S531 K636 E678	K530-E680 HydrophobicContact CB-CB 4.07Å; K530-E680 HydrophobicContact CD-CB 4.09Å; K530-E680 HydrophobicContact CD-CG 4.07Å; K530-E680 VanDerWaalsContact CD-OE2 3.28Å; K530-E680 WeakPolarHBondContact CD-OE2 3.32Å; K530-E680 WeakPolarHBondContact CE-OE1 3.32Å; K530-E680 WeakPolarHBondContact CE-OE2 3.46Å; K530-E680 HydrophobicContact CG-CB 3.86Å; K530-E680 HydrophobicContact CG-CG 4.36Å; K530-E680 WeakPolarHBondContact CG-OE2 3.48Å; K530-E680 VanDerWaalsContact NZ-CD 3.31Å; K530-E680 IonicContact NZ-OE1 3.4Å; K530-E680 PolarHBondContact NZ-OE1 3.29Å; K530-E680 IonicContact NZ-OE2 3.29Å; S531-E680 PolarHBondContact N-O 2.97Å; K636-E680 WeakPolarHBondContact CE-OE2 3.28Å; K636-E680 IonicContact NZ-OE1 2.75Å; K636-E680 PolarHBondContact NZ-OE1 3.04Å; K636-E680 IonicContact NZ-OE2 3.38Å; K636-E680 PolarHBondContact NZ-OE2 3.26Å; E678-E680 PolarHBondContact O-N 3.19Å
681	T	95.8	Very high	95.2	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.082	C	C	.	.			trans	-118.1	148.3	-179.2	58	0	0	0	0	111.7	S531 Q607 T609 N635 A683	S531-T681 WeakPolarHBondContact OG-CA 3.48Å; Q607-T681 HydrophobicContact CB-CG2 4.37Å; Q607-T681 WeakPolarHBondContact O-CB 3.46Å; Q607-T681 WeakPolarHBondContact O-CG2 3.41Å; T609-T681 VanDerWaalsContact CB-OG1 3.31Å; T609-T681 WeakPolarHBondContact CB-OG1 3.46Å; T609-T681 PolarHBondContact N-OG1 3.22Å; T609-T681 PolarHBondContact OG1-OG1 3.46Å; N635-T681 HydrophobicContact CB-CG2 3.48Å; N635-T681 VanDerWaalsContact CB-CG2 3.48Å; T681-A683 PolarHBondContact OG1-O 3.41Å
682	E	95.4	Very high	94.8	Very high	40 Å²	40	17.1 Å²	17.1	19%	0.187	9%	0.091	C	C	.	.	S	Bend	trans	-64.4	-42.5	169.8	-73.2	-179.1	-164.1	0	0	111.9	S531 N561 W705 R709 H748 K749	S531-E682 PolarHBondContact OG-N 2.88Å; N561-E682 HydrophobicContact CB-CG 3.71Å; N561-E682 WeakPolarHBondContact ND2-CG 3.39Å; N561-E682 PolarHBondContact ND2-OE1 2.66Å; E682-W705 HydrophobicContact CB-CH2 4.07Å; E682-R709 IonicContact OE2-CZ 2.94Å; E682-R709 IonicContact OE2-NH1 2.71Å; E682-R709 PolarHBondContact OE2-NH1 3.45Å; E682-H748 CarbonylContact O-C 3.59Å; E682-H748 WeakPolarHBondContact O-CA 3.45Å; E682-H748 IonicContact OE2-NE2 3.27Å; E682-K749 PolarHBondContact O-N 3.37Å
683	A	98	Very high	94.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.2	-178.9	0	0	0	0	0	110.5	F608 T609 T681 F702 W705 F746	F608-A683 WeakPolarHBondContact CA-O 3.04Å; F608-A683 HydrophobicContact CB-CB 3.59Å; T609-A683 PolarHBondContact N-O 2.96Å; T681-A683 PolarHBondContact OG1-O 3.41Å; A683-F702 HydrophobicContact CB-CD2 4.28Å; A683-F702 HydrophobicContact CB-CE2 3.73Å; A683-W705 VanDerWaalsContact CA-CH2 3.49Å; A683-W705 HydrophobicContact CB-CD2 4.37Å; A683-W705 HydrophobicContact CB-CE3 3.81Å; A683-W705 HydrophobicContact CB-CH2 3.44Å; A683-W705 VanDerWaalsContact CB-CH2 3.44Å; A683-W705 HydrophobicContact CB-CZ2 4.02Å; A683-W705 HydrophobicContact CB-CZ3 3.34Å; A683-F746 HydrophobicContact CB-CD1 4.42Å
684	I	98.5	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.8	172.8	-56.5	167	0	0	0	108.1	T609 V611 I679 S686 F746 I747 K749 F752	T609-I684 CarbonylContact O-C 3.48Å; T609-I684 WeakPolarHBondContact O-CA 3.31Å; V611-I684 HydrophobicContact CB-CG2 4.08Å; V611-I684 HydrophobicContact CG2-CG2 3.58Å; I679-I684 HydrophobicContact CD1-CD1 4.03Å; I679-I684 HydrophobicContact CG2-CD1 3.89Å; I679-I684 HydrophobicContact CG2-CG1 3.82Å; I684-S686 PolarHBondContact O-N 3.18Å; I684-F746 CarbonylContact O-C 3.55Å; I684-F746 VanDerWaalsContact O-CA 3.28Å; I684-F746 WeakPolarHBondContact O-CA 3.39Å; I684-I747 PolarHBondContact N-O 2.87Å; I684-I747 PolarHBondContact O-N 3.02Å; I684-K749 HydrophobicContact CD1-CB 3.87Å; I684-K749 HydrophobicContact CD1-CG 4.1Å; I684-K749 HydrophobicContact CG1-CB 4.49Å; I684-F752 HydrophobicContact CB-CZ 4.23Å; I684-F752 HydrophobicContact CD1-CD1 3.74Å; I684-F752 HydrophobicContact CD1-CD2 3.99Å; I684-F752 HydrophobicContact CD1-CE1 3.65Å; I684-F752 HydrophobicContact CD1-CE2 3.9Å; I684-F752 HydrophobicContact CD1-CG 3.93Å; I684-F752 HydrophobicContact CD1-CZ 3.73Å; I684-F752 HydrophobicContact CG2-CE1 4.15Å; I684-F752 HydrophobicContact CG2-CZ 3.77Å
685	L	98.3	Very high	93.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	101	164.6	177.7	57.9	0	0	0	108	F608 T609 V610 V611 I687 I698 F746	F608-L685 HydrophobicContact CD2-CB 4.12Å; F608-L685 HydrophobicContact CE2-CD2 4.36Å; T609-L685 PolarHBondContact O-N 3.38Å; V610-L685 WeakPolarHBondContact CA-O 3.4Å; V610-L685 HydrophobicContact CG2-CB 4.17Å; V610-L685 HydrophobicContact CG2-CD2 4.09Å; V611-L685 PolarHBondContact N-O 2.92Å; L685-I687 HydrophobicContact CG-CB 4.43Å; L685-I698 HydrophobicContact CD2-CD1 4.43Å; L685-I698 HydrophobicContact CD2-CG1 4.28Å; L685-I698 HydrophobicContact CD2-CG2 3.83Å; L685-F746 HydrophobicContact CB-CD1 4.15Å; L685-F746 HydrophobicContact CB-CE1 3.72Å; L685-F746 HydrophobicContact CB-CE2 4.49Å; L685-F746 HydrophobicContact CB-CZ 3.9Å; L685-F746 HydrophobicContact CD1-CD2 4.1Å; L685-F746 HydrophobicContact CD1-CE2 3.9Å; L685-F746 HydrophobicContact CD1-CZ 4.15Å; L685-F746 HydrophobicContact CD2-CZ 4.2Å; L685-F746 HydrophobicContact CG-CZ 4.31Å
686	S	97.8	Very high	93.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122	167.9	175.5	0	0	0	0	108.2	R672 I684 T742 A744 A745	R672-S686 PolarHBondContact NE-OG 3.4Å; R672-S686 PolarHBondContact NH2-OG 2.99Å; R672-S686 VanDerWaalsContact NH2-OG 3.08Å; I684-S686 PolarHBondContact O-N 3.18Å; S686-T742 CarbonylContact C-O 3.47Å; S686-T742 WeakPolarHBondContact CB-O 3.3Å; S686-T742 PolarHBondContact OG-O 2.98Å; S686-A744 WeakPolarHBondContact O-CA 3.46Å; S686-A744 PolarHBondContact O-N 3.46Å; S686-A745 PolarHBondContact N-O 3.01Å; S686-A745 PolarHBondContact O-N 3.27Å
687	I	95.5	Very high	93.2	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.041	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.4	-178.4	-164.3	176.5	0	0	0	110.8	V610 V611 M612 R672 L685 V691 L693 G743	V610-I687 HydrophobicContact CG1-CG2 3.56Å; V611-I687 PolarHBondContact O-N 2.82Å; V611-I687 VanDerWaalsContact O-N 3.07Å; M612-I687 WeakPolarHBondContact CA-O 3.39Å; M612-I687 HydrophobicContact CG-CG2 3.25Å; M612-I687 HydrophobicContact SD-CG2 3.91Å; R672-I687 PolarHBondContact NH2-O 3Å; L685-I687 HydrophobicContact CG-CB 4.43Å; I687-V691 HydrophobicContact CD1-CB 4.35Å; I687-V691 HydrophobicContact CD1-CG1 3.99Å; I687-V691 HydrophobicContact CG1-CB 3.89Å; I687-V691 HydrophobicContact CG1-CG1 3.84Å; I687-L693 HydrophobicContact CD1-CD1 3.9Å; I687-L693 HydrophobicContact CD1-CG 4.42Å; I687-G743 CarbonylContact C-O 3.16Å; I687-G743 VanDerWaalsContact CA-O 3.25Å; I687-G743 WeakPolarHBondContact CA-O 3.44Å
688	D	93.3	Very high	93.2	Very high	49 Å²	49	17.9 Å²	17.9	26%	0.262	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	152.4	173.1	-62.3	-20.4	0	0	0	110.5	R672 D690 V691 G743	R672-D688 IonicContact CZ-OD1 2.65Å; R672-D688 IonicContact NH1-OD1 2.64Å; R672-D688 PolarHBondContact NH1-OD1 2.93Å; R672-D688 IonicContact NH2-OD1 3.7Å; R672-D688 PolarHBondContact NH2-OD1 2.98Å; D688-D690 WeakPolarHBondContact CB-OD1 3.37Å; D688-D690 PolarHBondContact O-N 2.92Å; D688-V691 HydrophobicContact CB-CG2 3.93Å; D688-V691 PolarHBondContact O-N 2.92Å; D688-G743 VanDerWaalsContact CG-CA 3.42Å; D688-G743 PolarHBondContact N-O 3.45Å; D688-G743 WeakPolarHBondContact OD1-CA 3.1Å; D688-G743 VanDerWaalsContact OD2-CA 3.29Å; D688-G743 WeakPolarHBondContact OD2-CA 3.29Å
689	D	90.5	Very high	93.2	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.053	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	-178.5	62.9	9.5	0	0	0	113.8	T614 R617 V620 L621	T614-D689 WeakPolarHBondContact CB-OD2 3.39Å; T614-D689 PolarHBondContact OG1-OD2 3.46Å; R617-D689 WeakPolarHBondContact CB-OD2 3.36Å; R617-D689 IonicContact NH1-OD1 3.18Å; R617-D689 PolarHBondContact NH1-OD1 3.29Å; V620-D689 WeakPolarHBondContact CG1-O 3.36Å; L621-D689 HydrophobicContact CD1-CB 4.46Å
690	D	87.8	Confident	93.1	Very high	39 Å²	39	17.4 Å²	17.4	21%	0.209	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.3	-179.6	66	2.6	0	0	0	114.4	R617 V620 D688 C801	R617-D690 IonicContact NH1-OD2 2.93Å; R617-D690 PolarHBondContact NH1-OD2 3.42Å; V620-D690 HydrophobicContact CG1-CB 4.3Å; D688-D690 WeakPolarHBondContact CB-OD1 3.37Å; D688-D690 PolarHBondContact O-N 2.92Å; D690-C801 HydrophobicContact CB-CB 3.92Å
691	V	89.6	Confident	93.3	Very high	11 Å²	11	15 Å²	15	7%	0.067	7%	0.073	C	C	.	.			trans	-86.2	125.1	-179.7	168.4	0	0	0	0	111.1	I687 D688 L693 A744 F799	I687-V691 HydrophobicContact CD1-CB 4.35Å; I687-V691 HydrophobicContact CD1-CG1 3.99Å; I687-V691 HydrophobicContact CG1-CB 3.89Å; I687-V691 HydrophobicContact CG1-CG1 3.84Å; D688-V691 HydrophobicContact CB-CG2 3.93Å; D688-V691 PolarHBondContact O-N 2.92Å; V691-L693 HydrophobicContact CG1-CD1 4.4Å; V691-L693 HydrophobicContact CG1-CG 4.05Å; V691-A744 HydrophobicContact CG1-CB 4.02Å; V691-F799 HydrophobicContact CB-CD2 4.41Å; V691-F799 HydrophobicContact CB-CG 4.39Å; V691-F799 HydrophobicContact CG1-CD1 3.9Å; V691-F799 HydrophobicContact CG1-CD2 3.82Å; V691-F799 HydrophobicContact CG1-CE1 3.95Å; V691-F799 HydrophobicContact CG1-CE2 3.85Å; V691-F799 HydrophobicContact CG1-CG 3.84Å; V691-F799 HydrophobicContact CG1-CZ 3.93Å; V691-F799 HydrophobicContact CG2-CB 4.13Å; V691-F799 HydrophobicContact CG2-CD2 3.76Å; V691-F799 HydrophobicContact CG2-CE2 4.38Å; V691-F799 HydrophobicContact CG2-CG 4.03Å
692	Q	86.6	Confident	93.4	Very high	58 Å²	58	15 Å²	15	27%	0.271	7%	0.072	S	C	.	.			trans	-104.2	106.6	177.7	-61.4	-174.9	14.5	0	0	111.1	R627 R796	R627-Q692 VanDerWaalsContact CZ-CD 3.43Å; R627-Q692 VanDerWaalsContact NH2-NE2 3.11Å; Q692-R796 PolarHBondContact O-NH1 3.14Å
693	L	88.8	Confident	93.4	Very high	10 Å²	10	13.9 Å²	13.9	5%	0.052	7%	0.067	C	C	.	.			trans	-109.6	146.7	171.9	-73	172.1	0	0	0	111.5	I687 V691 E697 I698 F715 A744 F799	I687-L693 HydrophobicContact CD1-CD1 3.9Å; I687-L693 HydrophobicContact CD1-CG 4.42Å; V691-L693 HydrophobicContact CG1-CD1 4.4Å; V691-L693 HydrophobicContact CG1-CG 4.05Å; L693-E697 HydrophobicContact CD2-CB 4.31Å; L693-I698 HydrophobicContact CB-CD1 3.98Å; L693-I698 HydrophobicContact CB-CG1 3.8Å; L693-I698 HydrophobicContact CD1-CG1 4.04Å; L693-F715 HydrophobicContact CD1-CD2 4.08Å; L693-F715 HydrophobicContact CD1-CE2 3.52Å; L693-F715 HydrophobicContact CD1-CZ 4.07Å; L693-F715 HydrophobicContact CD2-CD1 4.22Å; L693-F715 HydrophobicContact CD2-CD2 3.96Å; L693-F715 HydrophobicContact CD2-CE1 3.99Å; L693-F715 HydrophobicContact CD2-CE2 3.74Å; L693-F715 HydrophobicContact CD2-CG 4.22Å; L693-F715 HydrophobicContact CD2-CZ 3.74Å; L693-F715 HydrophobicContact CG-CE2 4.31Å; L693-A744 HydrophobicContact CD1-CB 4.29Å; L693-F799 HydrophobicContact CD2-CE1 3.55Å; L693-F799 HydrophobicContact CD2-CZ 3.71Å; L693-F799 HydrophobicContact CG-CE1 4.17Å; L693-F799 HydrophobicContact CG-CZ 4.33Å
694	R	87.7	Confident	93.3	Very high	35 Å²	35	14.6 Å²	14.6	13%	0.132	7%	0.072	C	C	.	.			trans	-82.7	160.3	168.5	-67.5	-166.2	-44.8	-71.6	0.4	111.1	D517 D696 E697 I698	D517-R694 WeakPolarHBondContact OD1-CB 3.31Å; D517-R694 WeakPolarHBondContact OD1-CD 3.43Å; D517-R694 IonicContact OD1-NE 2.8Å; R694-D696 VanDerWaalsContact C-N 3.35Å; R694-D696 WeakPolarHBondContact CB-OD1 3.42Å; R694-D696 IonicContact CZ-OD1 3.64Å; R694-D696 IonicContact CZ-OD2 3.42Å; R694-D696 IonicContact NE-OD1 2.81Å; R694-D696 PolarHBondContact NE-OD1 2.96Å; R694-D696 IonicContact NE-OD2 3.21Å; R694-D696 IonicContact NH2-OD1 3.35Å; R694-D696 PolarHBondContact NH2-OD1 3.21Å; R694-D696 IonicContact NH2-OD2 2.82Å; R694-D696 PolarHBondContact NH2-OD2 2.86Å; R694-D696 PolarHBondContact O-N 3.49Å; R694-E697 HydrophobicContact CB-CG 4.35Å; R694-E697 VanDerWaalsContact CZ-CD 3.43Å; R694-E697 IonicContact CZ-OE1 2.65Å; R694-E697 IonicContact CZ-OE2 3.91Å; R694-E697 PolarHBondContact N-OE2 3.27Å; R694-E697 IonicContact NH1-OE1 3.88Å; R694-E697 PolarHBondContact NH1-OE1 3.26Å; R694-E697 IonicContact NH1-OE2 3.96Å; R694-E697 PolarHBondContact NH1-OE2 3.48Å; R694-E697 IonicContact NH2-OE1 3.33Å; R694-E697 PolarHBondContact NH2-OE1 3.29Å; R694-E697 PolarHBondContact O-N 3.44Å; R694-I698 WeakPolarHBondContact O-CG1 3.38Å; R694-I698 PolarHBondContact O-N 2.94Å; R694-I698 VanDerWaalsContact O-N 3.15Å
695	H	90.5	Very high	93.3	Very high	30 Å²	30	14.6 Å²	14.6	14%	0.139	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-42.7	178.6	-73.1	-165.7	0	0	0	111.9	D517 L522 R627 A629 L631 E697 I698 I699	D517-H695 IonicContact OD2-CD2 3.38Å; D517-H695 IonicContact OD2-CG 2.77Å; D517-H695 PolarHBondContact OD2-N 3.34Å; L522-H695 HydrophobicContact CD1-CB 3.43Å; L522-H695 VanDerWaalsContact CD1-CB 3.43Å; R627-H695 PolarHBondContact O-CD2 2.93Å; R627-H695 PolarHBondContact O-NE2 3.1Å; A629-H695 PolarHBondContact O-CE1 3.14Å; A629-H695 VanDerWaalsContact O-CE1 3.26Å; L631-H695 HydrophobicContact CD1-CB 4Å; H695-E697 VanDerWaalsContact C-N 3.3Å; H695-E697 PolarHBondContact O-N 2.62Å; H695-I698 PolarHBondContact O-N 3.45Å; H695-I699 WeakPolarHBondContact O-CG1 3.41Å; H695-I699 PolarHBondContact O-N 3.01Å
696	D	90.9	Very high	93.1	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-60.1	-40.1	-179.9	65.9	-33	0	0	0	112	L522 R694 F700 F858	L522-D696 HydrophobicContact CD1-CB 4.07Å; L522-D696 VanDerWaalsContact CD1-N 3.32Å; L522-D696 HydrophobicContact CD2-CB 3.93Å; R694-D696 VanDerWaalsContact C-N 3.35Å; R694-D696 WeakPolarHBondContact CB-OD1 3.42Å; R694-D696 IonicContact CZ-OD1 3.64Å; R694-D696 IonicContact CZ-OD2 3.42Å; R694-D696 IonicContact NE-OD1 2.81Å; R694-D696 PolarHBondContact NE-OD1 2.96Å; R694-D696 IonicContact NE-OD2 3.21Å; R694-D696 IonicContact NH2-OD1 3.35Å; R694-D696 PolarHBondContact NH2-OD1 3.21Å; R694-D696 IonicContact NH2-OD2 2.82Å; R694-D696 PolarHBondContact NH2-OD2 2.86Å; R694-D696 PolarHBondContact O-N 3.49Å; D696-F700 VanDerWaalsContact O-CB 3.26Å; D696-F700 WeakPolarHBondContact O-CB 3.41Å; D696-F700 PolarHBondContact O-N 3.35Å; D696-F858 HydrophobicContact CB-CD1 4Å; D696-F858 WeakPolarHBondContact O-CE1 3.4Å
697	E	92.9	Very high	92.9	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-44.6	175.3	-70.5	172.8	152	0	0	112.3	L693 R694 H695 F700 A701 F715 R796 V861	L693-E697 HydrophobicContact CD2-CB 4.31Å; R694-E697 HydrophobicContact CB-CG 4.35Å; R694-E697 VanDerWaalsContact CZ-CD 3.43Å; R694-E697 IonicContact CZ-OE1 2.65Å; R694-E697 IonicContact CZ-OE2 3.91Å; R694-E697 PolarHBondContact N-OE2 3.27Å; R694-E697 IonicContact NH1-OE1 3.88Å; R694-E697 PolarHBondContact NH1-OE1 3.26Å; R694-E697 IonicContact NH1-OE2 3.96Å; R694-E697 PolarHBondContact NH1-OE2 3.48Å; R694-E697 IonicContact NH2-OE1 3.33Å; R694-E697 PolarHBondContact NH2-OE1 3.29Å; R694-E697 PolarHBondContact O-N 3.44Å; H695-E697 VanDerWaalsContact C-N 3.3Å; H695-E697 PolarHBondContact O-N 2.62Å; E697-F700 PolarHBondContact O-N 3.38Å; E697-A701 WeakPolarHBondContact O-CB 3.31Å; E697-A701 PolarHBondContact O-N 3.06Å; E697-F715 HydrophobicContact CB-CE1 3.89Å; E697-F715 HydrophobicContact CB-CZ 4.09Å; E697-F715 WeakPolarHBondContact O-CZ 3.37Å; E697-R796 VanDerWaalsContact CD-NE 3.32Å; E697-R796 WeakPolarHBondContact OE1-CD 3.32Å; E697-R796 IonicContact OE1-CZ 3.5Å; E697-R796 VanDerWaalsContact OE1-CZ 3.26Å; E697-R796 IonicContact OE1-NE 3.96Å; E697-R796 PolarHBondContact OE1-NE 3.48Å; E697-R796 IonicContact OE1-NH2 2.87Å; E697-R796 PolarHBondContact OE1-NH2 3.38Å; E697-R796 IonicContact OE2-CZ 3.98Å; E697-R796 IonicContact OE2-NE 3.43Å; E697-R796 PolarHBondContact OE2-NE 3.11Å; E697-R796 IonicContact OE2-NH1 2.68Å; E697-R796 IonicContact OE2-NH2 3.38Å; E697-R796 PolarHBondContact OE2-NH2 2.04Å; E697-R796 VanDerWaalsContact OE2-NH2 3.1Å; E697-V861 HydrophobicContact CG-CG2 3.89Å
698	I	94.6	Very high	92.9	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-47.9	178.2	-64.4	167.1	0	0	0	110.1	F608 L628 L631 L685 L693 R694 H695 F700 A701 F702 F746	F608-I698 HydrophobicContact CE1-CG2 4.5Å; F608-I698 HydrophobicContact CE2-CG2 4.09Å; F608-I698 HydrophobicContact CZ-CG2 3.72Å; L628-I698 HydrophobicContact CD2-CD1 4.08Å; L631-I698 HydrophobicContact CD1-CB 4.42Å; L631-I698 HydrophobicContact CD1-CD1 4.36Å; L631-I698 HydrophobicContact CD1-CG2 4.38Å; L631-I698 HydrophobicContact CD2-CD1 4.13Å; L631-I698 HydrophobicContact CD2-CG2 4.18Å; L685-I698 HydrophobicContact CD2-CD1 4.43Å; L685-I698 HydrophobicContact CD2-CG1 4.28Å; L685-I698 HydrophobicContact CD2-CG2 3.83Å; L693-I698 HydrophobicContact CB-CD1 3.98Å; L693-I698 HydrophobicContact CB-CG1 3.8Å; L693-I698 HydrophobicContact CD1-CG1 4.04Å; R694-I698 WeakPolarHBondContact O-CG1 3.38Å; R694-I698 PolarHBondContact O-N 2.94Å; R694-I698 VanDerWaalsContact O-N 3.15Å; H695-I698 PolarHBondContact O-N 3.45Å; I698-F700 VanDerWaalsContact C-N 3.34Å; I698-F700 PolarHBondContact O-N 2.72Å; I698-A701 PolarHBondContact O-N 2.86Å; I698-F702 WeakPolarHBondContact O-CB 3.33Å; I698-F702 PolarHBondContact O-N 3.4Å; I698-F746 HydrophobicContact CG2-CE2 4.33Å; I698-F746 HydrophobicContact CG2-CZ 4.02Å
699	I	94.6	Very high	93	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-38.2	-179.4	-61.7	-42.3	0	0	0	111.3	L522 F608 L631 P632 Y633 H695 F702 R703 F858	L522-I699 HydrophobicContact CB-CG1 4.22Å; L522-I699 HydrophobicContact CD1-CG1 4.48Å; F608-I699 HydrophobicContact CE1-CD1 4.33Å; L631-I699 HydrophobicContact CD1-CD1 4.07Å; P632-I699 HydrophobicContact CB-CD1 4.33Å; P632-I699 WeakPolarHBondContact O-CD1 3.5Å; Y633-I699 HydrophobicContact CD2-CD1 3.98Å; H695-I699 WeakPolarHBondContact O-CG1 3.41Å; H695-I699 PolarHBondContact O-N 3.01Å; I699-F702 PolarHBondContact O-N 2.94Å; I699-R703 WeakPolarHBondContact O-CG 3.47Å; I699-R703 PolarHBondContact O-N 3.02Å; I699-F858 HydrophobicContact CB-CE1 4.34Å; I699-F858 HydrophobicContact CG2-CE1 4.22Å; I699-F858 HydrophobicContact CG2-CZ 4.32Å
700	F	95.3	Very high	93.3	Very high	15 Å²	15	25.3 Å²	25.3	7%	0.066	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-50	173.3	174.8	-107.5	0	0	0	111.7	D696 E697 I698 F702 R703 A704 V793 T794 A841 F858 V861	D696-F700 VanDerWaalsContact O-CB 3.26Å; D696-F700 WeakPolarHBondContact O-CB 3.41Å; D696-F700 PolarHBondContact O-N 3.35Å; E697-F700 PolarHBondContact O-N 3.38Å; I698-F700 VanDerWaalsContact C-N 3.34Å; I698-F700 PolarHBondContact O-N 2.72Å; F700-F702 VanDerWaalsContact C-N 3.3Å; F700-F702 PolarHBondContact O-N 2.87Å; F700-R703 PolarHBondContact O-N 3.03Å; F700-A704 PolarHBondContact O-N 3.3Å; F700-V793 HydrophobicContact CD1-CB 4.11Å; F700-V793 HydrophobicContact CD1-CG1 4.3Å; F700-V793 HydrophobicContact CE1-CB 3.72Å; F700-V793 HydrophobicContact CE1-CG1 3.79Å; F700-T794 HydrophobicContact CD1-CG2 3.68Å; F700-T794 HydrophobicContact CE1-CG2 3.92Å; F700-A841 WeakPolarHBondContact CE1-O 3.09Å; F700-A841 HydrophobicContact CZ-CB 4.26Å; F700-A841 WeakPolarHBondContact CZ-O 3.4Å; F700-F858 HydrophobicContact CB-CD2 4.5Å; F700-F858 HydrophobicContact CB-CE1 4.08Å; F700-F858 HydrophobicContact CB-CE2 4Å; F700-F858 HydrophobicContact CB-CZ 3.76Å; F700-F858 HydrophobicContact CD2-CD2 4.12Å; F700-F858 AromaticContact CD2-CE2 3.68Å; F700-F858 HydrophobicContact CD2-CE2 3.68Å; F700-F858 HydrophobicContact CD2-CZ 4.25Å; F700-F858 HydrophobicContact CG-CE2 4.31Å; F700-V861 HydrophobicContact CB-CG1 4.21Å; F700-V861 HydrophobicContact CD1-CG1 3.58Å; F700-V861 HydrophobicContact CD2-CG1 4.34Å; F700-V861 HydrophobicContact CE1-CG1 4.01Å; F700-V861 HydrophobicContact CG-CG1 3.76Å
701	A	96.9	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-39.6	179.2	0	0	0	0	0	112	E697 I698 A704 W705 F715 F746 V793	E697-A701 WeakPolarHBondContact O-CB 3.31Å; E697-A701 PolarHBondContact O-N 3.06Å; I698-A701 PolarHBondContact O-N 2.86Å; A701-A704 PolarHBondContact O-N 3.01Å; A701-W705 WeakPolarHBondContact O-CB 3.32Å; A701-W705 PolarHBondContact O-N 2.76Å; A701-F715 HydrophobicContact CB-CE1 4.35Å; A701-F715 HydrophobicContact CB-CE2 4.05Å; A701-F715 HydrophobicContact CB-CZ 3.6Å; A701-F746 HydrophobicContact CB-CD2 3.83Å; A701-F746 HydrophobicContact CB-CE2 3.79Å; A701-V793 HydrophobicContact CB-CG2 3.92Å
702	F	97.3	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-47.7	174.4	179.1	-132.2	0	0	0	111.5	L599 E606 F608 Y633 A683 I698 I699 F700 A704 W705 R706 F746	L599-F702 HydrophobicContact CD1-CE1 3.74Å; L599-F702 HydrophobicContact CD1-CZ 4.35Å; L599-F702 HydrophobicContact CD2-CD1 4.04Å; L599-F702 HydrophobicContact CD2-CE1 3.87Å; L599-F702 HydrophobicContact CG-CE1 4.48Å; E606-F702 HydrophobicContact CG-CE2 4.23Å; E606-F702 HydrophobicContact CG-CZ 3.67Å; F608-F702 HydrophobicContact CB-CD2 4.27Å; F608-F702 HydrophobicContact CB-CE2 4.03Å; F608-F702 HydrophobicContact CD1-CB 4.43Å; F608-F702 AromaticContact CD1-CD1 3.84Å; F608-F702 HydrophobicContact CD1-CD1 3.84Å; F608-F702 AromaticContact CD1-CD2 3.77Å; F608-F702 HydrophobicContact CD1-CD2 3.77Å; F608-F702 AromaticContact CD1-CE1 3.91Å; F608-F702 HydrophobicContact CD1-CE1 3.91Å; F608-F702 AromaticContact CD1-CE2 3.86Å; F608-F702 HydrophobicContact CD1-CE2 3.86Å; F608-F702 AromaticContact CD1-CG 3.75Å; F608-F702 HydrophobicContact CD1-CG 3.75Å; F608-F702 AromaticContact CD1-CZ 3.91Å; F608-F702 HydrophobicContact CD1-CZ 3.91Å; F608-F702 HydrophobicContact CE1-CB 4.46Å; F608-F702 HydrophobicContact CE1-CD1 4.03Å; F608-F702 HydrophobicContact CE1-CE1 4.38Å; F608-F702 HydrophobicContact CE1-CG 4.12Å; F608-F702 HydrophobicContact CG-CD2 4.34Å; F608-F702 HydrophobicContact CG-CE2 4.4Å; Y633-F702 HydrophobicContact CG-CE1 4.23Å; A683-F702 HydrophobicContact CB-CD2 4.28Å; A683-F702 HydrophobicContact CB-CE2 3.73Å; I698-F702 WeakPolarHBondContact O-CB 3.33Å; I698-F702 PolarHBondContact O-N 3.4Å; I699-F702 PolarHBondContact O-N 2.94Å; F700-F702 VanDerWaalsContact C-N 3.3Å; F700-F702 PolarHBondContact O-N 2.87Å; F702-A704 PolarHBondContact O-N 3.48Å; F702-W705 HydrophobicContact CD2-CE3 4.22Å; F702-W705 HydrophobicContact CE2-CE3 4.19Å; F702-W705 HydrophobicContact CE2-CZ3 4.31Å; F702-W705 WeakPolarHBondContact O-CB 3.14Å; F702-W705 PolarHBondContact O-N 3.01Å; F702-R706 HydrophobicContact CD2-CG 4.42Å; F702-R706 HydrophobicContact CE2-CG 4.17Å; F702-R706 HydrophobicContact CZ-CG 4.38Å; F702-R706 WeakPolarHBondContact O-CG 3.1Å; F702-R706 PolarHBondContact O-N 3.21Å; F702-F746 HydrophobicContact CB-CE1 4.05Å; F702-F746 HydrophobicContact CB-CE2 3.86Å; F702-F746 HydrophobicContact CB-CZ 3.56Å; F702-F746 HydrophobicContact CD2-CD1 4.18Å; F702-F746 AromaticContact CD2-CE1 3.76Å; F702-F746 HydrophobicContact CD2-CE1 3.76Å; F702-F746 HydrophobicContact CD2-CZ 4.18Å; F702-F746 HydrophobicContact CG-CE1 4.25Å; F702-F746 HydrophobicContact CG-CZ 4.21Å
703	R	95.7	Very high	94.8	Very high	18 Å²	18	23.2 Å²	23.2	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-43.2	176.5	-73.1	178.7	-179.7	-100.8	7.2	112.2	F595 A598 L599 I699 F700 W705 R706	F595-R703 VanDerWaalsContact CZ-CD 3.48Å; F595-R703 VanDerWaalsContact CZ-NH1 3.3Å; F595-R703 PolarHBondContact O-NH2 2.87Å; A598-R703 PolarHBondContact O-NH1 3.36Å; A598-R703 PolarHBondContact O-NH2 3.06Å; L599-R703 HydrophobicContact CD2-CG 4.23Å; L599-R703 PolarHBondContact O-NH1 2.87Å; I699-R703 WeakPolarHBondContact O-CG 3.47Å; I699-R703 PolarHBondContact O-N 3.02Å; F700-R703 PolarHBondContact O-N 3.03Å; R703-W705 VanDerWaalsContact C-N 3.33Å; R703-W705 PolarHBondContact O-N 3.47Å; R703-R706 PolarHBondContact O-N 2.81Å
704	A	96.3	Very high	95.2	Very high	14 Å²	14	22.7 Å²	22.7	12%	0.116	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-39.2	175.4	0	0	0	0	0	112	F700 A701 F702 E707 S708 V713 V793	F700-A704 PolarHBondContact O-N 3.3Å; A701-A704 PolarHBondContact O-N 3.01Å; F702-A704 PolarHBondContact O-N 3.48Å; A704-E707 PolarHBondContact O-N 3.49Å; A704-S708 WeakPolarHBondContact O-CB 3.11Å; A704-S708 PolarHBondContact O-N 2.87Å; A704-V713 HydrophobicContact CB-CG1 4.04Å; A704-V793 HydrophobicContact CB-CG1 3.85Å
705	W	97.6	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-39.9	175.8	175.8	86.9	0	0	0	112.6	E682 A683 A701 F702 R703 E707 S708 R709 V713 F746 H748	E682-W705 HydrophobicContact CB-CH2 4.07Å; A683-W705 VanDerWaalsContact CA-CH2 3.49Å; A683-W705 HydrophobicContact CB-CD2 4.37Å; A683-W705 HydrophobicContact CB-CE3 3.81Å; A683-W705 HydrophobicContact CB-CH2 3.44Å; A683-W705 VanDerWaalsContact CB-CH2 3.44Å; A683-W705 HydrophobicContact CB-CZ2 4.02Å; A683-W705 HydrophobicContact CB-CZ3 3.34Å; A701-W705 WeakPolarHBondContact O-CB 3.32Å; A701-W705 PolarHBondContact O-N 2.76Å; F702-W705 HydrophobicContact CD2-CE3 4.22Å; F702-W705 HydrophobicContact CE2-CE3 4.19Å; F702-W705 HydrophobicContact CE2-CZ3 4.31Å; F702-W705 WeakPolarHBondContact O-CB 3.14Å; F702-W705 PolarHBondContact O-N 3.01Å; R703-W705 VanDerWaalsContact C-N 3.33Å; R703-W705 PolarHBondContact O-N 3.47Å; W705-E707 PolarHBondContact O-N 3.23Å; W705-E707 VanDerWaalsContact O-N 3.14Å; W705-S708 CarbonylContact O-C 3.52Å; W705-S708 WeakPolarHBondContact O-CA 3.39Å; W705-S708 PolarHBondContact O-N 3.03Å; W705-R709 HydrophobicContact CH2-CG 4.33Å; W705-R709 HydrophobicContact CZ2-CG 4.38Å; W705-R709 PolarHBondContact O-N 2.54Å; W705-V713 HydrophobicContact CB-CB 3.96Å; W705-V713 HydrophobicContact CB-CG1 4.33Å; W705-V713 HydrophobicContact CB-CG2 4.08Å; W705-V713 HydrophobicContact CG-CG2 4.4Å; W705-F746 HydrophobicContact CB-CB 3.65Å; W705-F746 HydrophobicContact CB-CG 4.12Å; W705-F746 VanDerWaalsContact CD1-CB 3.45Å; W705-F746 HydrophobicContact CD2-CB 4.26Å; W705-F746 HydrophobicContact CG-CB 3.48Å; W705-F746 VanDerWaalsContact CG-CB 3.48Å; W705-F746 HydrophobicContact CG-CG 4.24Å; W705-H748 HydrophobicContact CZ2-CB 3.93Å; W705-H748 AromaticContact CZ2-CD2 3.73Å
706	R	95	Very high	95.8	Very high	8 Å²	8	20 Å²	20	3%	0.03	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-33.6	177.3	-68	176	77.9	-131.6	2.4	112.1	L599 G600 F603 P604 E606 F702 R703 R709	L599-R706 PolarHBondContact O-NH1 3.4Å; G600-R706 PolarHBondContact O-NH1 3.37Å; G600-R706 PolarHBondContact O-NH2 2.76Å; F603-R706 VanDerWaalsContact CD2-O 3.32Å; F603-R706 WeakPolarHBondContact CD2-O 3.47Å; F603-R706 WeakPolarHBondContact CE2-O 3.45Å; F603-R706 PolarHBondContact O-NH2 2.98Å; P604-R706 PolarHBondContact O-NH2 2.82Å; E606-R706 WeakPolarHBondContact OE1-CD 3.4Å; E606-R706 WeakPolarHBondContact OE1-CG 3.29Å; E606-R706 IonicContact OE1-CZ 3.5Å; E606-R706 IonicContact OE1-NE 3.46Å; E606-R706 PolarHBondContact OE1-NE 3.05Å; E606-R706 IonicContact OE1-NH2 2.8Å; E606-R706 PolarHBondContact OE1-NH2 3.13Å; F702-R706 HydrophobicContact CD2-CG 4.42Å; F702-R706 HydrophobicContact CE2-CG 4.17Å; F702-R706 HydrophobicContact CZ-CG 4.38Å; F702-R706 WeakPolarHBondContact O-CG 3.1Å; F702-R706 PolarHBondContact O-N 3.21Å; R703-R706 PolarHBondContact O-N 2.81Å; R706-R709 PolarHBondContact O-NE 2.76Å
707	E	93.6	Very high	96	Very high	152 Å²	152	19.9 Å²	19.9	71%	0.71	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.8	176.5	-64.4	-177.9	-162.3	0	0	113.5	A704 W705	A704-E707 PolarHBondContact O-N 3.49Å; W705-E707 PolarHBondContact O-N 3.23Å; W705-E707 VanDerWaalsContact O-N 3.14Å
708	S	95.6	Very high	96.1	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.084	9%	0.091	C	C	.	.			trans	-135.3	40.5	-174.9	-71	0	0	0	0	112.9	A704 W705 R710 R711	A704-S708 WeakPolarHBondContact O-CB 3.11Å; A704-S708 PolarHBondContact O-N 2.87Å; W705-S708 CarbonylContact O-C 3.52Å; W705-S708 WeakPolarHBondContact O-CA 3.39Å; W705-S708 PolarHBondContact O-N 3.03Å; S708-R710 PolarHBondContact O-N 2.94Å; S708-R711 PolarHBondContact O-N 2.81Å; S708-R711 PolarHBondContact OG-NH2 2.83Å
709	R	95.7	Very high	96.1	Very high	18 Å²	18	22.1 Å²	22.1	7%	0.068	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.2	-177	-62.5	178.5	-174.3	-76.6	-20.9	114.9	P563 F603 E606 E682 W705 R706 R711	P563-R709 HydrophobicContact CB-CB 4.08Å; P563-R709 WeakPolarHBondContact CB-O 3.26Å; F603-R709 VanDerWaalsContact CE1-NE 3.33Å; E606-R709 IonicContact OE1-CZ 2.75Å; E606-R709 IonicContact OE1-NH1 3.6Å; E606-R709 IonicContact OE1-NH2 3.56Å; E606-R709 PolarHBondContact OE1-NH2 2.94Å; E606-R709 IonicContact OE2-CZ 3.78Å; E606-R709 VanDerWaalsContact OE2-CZ 3.25Å; E606-R709 IonicContact OE2-NH1 3.69Å; E606-R709 PolarHBondContact OE2-NH1 2.99Å; E606-R709 IonicContact OE2-NH2 3.59Å; E606-R709 PolarHBondContact OE2-NH2 3.4Å; E682-R709 IonicContact OE2-CZ 2.94Å; E682-R709 IonicContact OE2-NH1 2.71Å; E682-R709 PolarHBondContact OE2-NH1 3.45Å; W705-R709 HydrophobicContact CH2-CG 4.33Å; W705-R709 HydrophobicContact CZ2-CG 4.38Å; W705-R709 PolarHBondContact O-N 2.54Å; R706-R709 PolarHBondContact O-NE 2.76Å; R709-R711 PolarHBondContact O-N 3.39Å
710	R	97.1	Very high	96.1	Very high	102 Å²	102	23 Å²	23	39%	0.385	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.2	178	-58.4	-179.3	89.7	158.6	16.4	113.2	P563 F564 S708 Y751 T786 L788	P563-R710 HydrophobicContact CB-CG 4.48Å; P563-R710 VanDerWaalsContact O-CG 3.3Å; P563-R710 WeakPolarHBondContact O-CG 3.38Å; F564-R710 HydrophobicContact CD1-CG 4.17Å; F564-R710 VanDerWaalsContact CD1-NE 3.29Å; F564-R710 HydrophobicContact CE1-CG 4.37Å; S708-R710 PolarHBondContact O-N 2.94Å; R710-Y751 WeakPolarHBondContact CA-OH 3.47Å; R710-Y751 PolarHBondContact O-OH 3.31Å; R710-T786 HydrophobicContact CB-CG2 4.39Å; R710-T786 WeakPolarHBondContact O-CG2 3.21Å; R710-L788 HydrophobicContact CB-CD1 3.98Å
711	R	97.9	Very high	96	Very high	62 Å²	62	23.3 Å²	23.3	23%	0.234	11%	0.105	C	C	.	.	S	Bend	trans	-124.1	155.6	-173.7	-65.2	178.6	-87.7	-164.4	-4.1	111	S708 R709 V713 L788 P789	S708-R711 PolarHBondContact O-N 2.81Å; S708-R711 PolarHBondContact OG-NH2 2.83Å; R709-R711 PolarHBondContact O-N 3.39Å; R711-V713 HydrophobicContact CB-CG2 4.5Å; R711-L788 HydrophobicContact CG-CB 3.95Å; R711-L788 HydrophobicContact CG-CD1 4.06Å; R711-P789 WeakPolarHBondContact CD-O 3.45Å; R711-P789 WeakPolarHBondContact CG-O 3.27Å
712	I	98.6	Very high	95.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	13%	0.13	C	C	.	.			trans	-71.9	126.5	161.5	-59.8	173.3	0	0	0	107	V740 A745 I747 M778 N779 V782 P790 L791	I712-V740 HydrophobicContact CG2-CB 4.14Å; I712-V740 HydrophobicContact CG2-CG1 4.11Å; I712-A745 HydrophobicContact CG2-CB 3.71Å; I712-I747 HydrophobicContact CG1-CG1 4.43Å; I712-I747 HydrophobicContact CG2-CG1 4.25Å; I712-M778 HydrophobicContact CD1-CG 3.94Å; I712-N779 HydrophobicContact CD1-CB 4.42Å; I712-V782 HydrophobicContact CD1-CB 4.18Å; I712-V782 HydrophobicContact CD1-CG2 3.95Å; I712-V782 HydrophobicContact CG1-CB 4.18Å; I712-V782 HydrophobicContact CG1-CG1 4.24Å; I712-V782 HydrophobicContact CG1-CG2 3.91Å; I712-P790 HydrophobicContact CB-CB 4.27Å; I712-P790 WeakPolarHBondContact O-CA 3.17Å; I712-P790 WeakPolarHBondContact O-CB 3.39Å; I712-L791 PolarHBondContact O-N 2.77Å
713	V	98.6	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.9	-178.9	-176.2	0	0	0	0	109.7	A704 W705 R711 A745 F746 L791 V793	A704-V713 HydrophobicContact CB-CG1 4.04Å; W705-V713 HydrophobicContact CB-CB 3.96Å; W705-V713 HydrophobicContact CB-CG1 4.33Å; W705-V713 HydrophobicContact CB-CG2 4.08Å; W705-V713 HydrophobicContact CG-CG2 4.4Å; R711-V713 HydrophobicContact CB-CG2 4.5Å; V713-A745 CarbonylContact O-C 3.36Å; V713-A745 WeakPolarHBondContact O-CA 3.37Å; V713-F746 PolarHBondContact N-O 3.13Å; V713-F746 PolarHBondContact O-N 3.04Å; V713-L791 WeakPolarHBondContact CA-O 3.31Å; V713-L791 HydrophobicContact CG1-CB 4.4Å; V713-L791 HydrophobicContact CG1-CD2 4.21Å; V713-L791 HydrophobicContact CG1-CG 4.41Å; V713-L791 HydrophobicContact CG2-CB 4.04Å; V713-L791 HydrophobicContact CG2-CD2 4.3Å; V713-V793 HydrophobicContact CG1-CG1 3.76Å
714	G	97.6	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-169.1	-172.4	0	0	0	0	0	114.6	V740 A744 L791 K792 V793	G714-V740 VanDerWaalsContact CA-CG1 3.48Å; G714-A744 WeakPolarHBondContact CA-O 3.39Å; G714-L791 PolarHBondContact N-O 2.83Å; G714-L791 VanDerWaalsContact N-O 3.12Å; G714-K792 WeakPolarHBondContact O-CA 3.42Å; G714-V793 VanDerWaalsContact C-CG2 3.48Å; G714-V793 WeakPolarHBondContact O-CG2 3.37Å; G714-V793 PolarHBondContact O-N 2.9Å
715	F	95.8	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-96.1	-61.6	-163.8	-50.3	-96.3	0	0	0	113.8	L693 E697 A701 G717 A744 K792 V793 T794 R796 F799	L693-F715 HydrophobicContact CD1-CD2 4.08Å; L693-F715 HydrophobicContact CD1-CE2 3.52Å; L693-F715 HydrophobicContact CD1-CZ 4.07Å; L693-F715 HydrophobicContact CD2-CD1 4.22Å; L693-F715 HydrophobicContact CD2-CD2 3.96Å; L693-F715 HydrophobicContact CD2-CE1 3.99Å; L693-F715 HydrophobicContact CD2-CE2 3.74Å; L693-F715 HydrophobicContact CD2-CG 4.22Å; L693-F715 HydrophobicContact CD2-CZ 3.74Å; L693-F715 HydrophobicContact CG-CE2 4.31Å; E697-F715 HydrophobicContact CB-CE1 3.89Å; E697-F715 HydrophobicContact CB-CZ 4.09Å; E697-F715 WeakPolarHBondContact O-CZ 3.37Å; A701-F715 HydrophobicContact CB-CE1 4.35Å; A701-F715 HydrophobicContact CB-CE2 4.05Å; A701-F715 HydrophobicContact CB-CZ 3.6Å; F715-G717 PolarHBondContact O-N 2.72Å; F715-A744 HydrophobicContact CD2-CB 3.75Å; F715-A744 VanDerWaalsContact CD2-O 3.26Å; F715-A744 WeakPolarHBondContact CD2-O 3.23Å; F715-A744 HydrophobicContact CE2-CB 4.5Å; F715-A744 PolarHBondContact N-O 2.94Å; F715-A744 VanDerWaalsContact N-O 3.15Å; F715-K792 PolarHBondContact O-NZ 3.42Å; F715-V793 HydrophobicContact CD1-CG2 3.73Å; F715-V793 HydrophobicContact CD2-CG2 4.46Å; F715-V793 HydrophobicContact CE1-CG2 3.77Å; F715-V793 HydrophobicContact CE2-CG2 4.48Å; F715-V793 HydrophobicContact CG-CG2 4.09Å; F715-V793 HydrophobicContact CZ-CG2 4.16Å; F715-T794 HydrophobicContact CD1-CG2 4.17Å; F715-T794 HydrophobicContact CE1-CG2 3.93Å; F715-R796 HydrophobicContact CB-CB 4.37Å; F715-R796 VanDerWaalsContact O-O 3.12Å; F715-F799 HydrophobicContact CB-CE2 4.25Å; F715-F799 HydrophobicContact CB-CZ 3.79Å; F715-F799 HydrophobicContact CD2-CZ 4.29Å; F715-F799 HydrophobicContact CG-CZ 4.1Å
716	P	94.3	Very high	93.8	Very high	7 Å²	7	48 Å²	48	5%	0.045	23%	0.225	C	C	.	.			trans	-75.8	107.5	-171	-14.8	33.5	0	0	0	110.6	V740 L741 F799	P716-V740 WeakPolarHBondContact O-CA 3.45Å; P716-L741 HydrophobicContact CB-CB 4.1Å; P716-L741 HydrophobicContact CB-CD1 4.18Å; P716-L741 HydrophobicContact CB-CG 4.09Å; P716-L741 HydrophobicContact CG-CB 4.28Å; P716-L741 PolarHBondContact O-N 2.79Å; P716-F799 HydrophobicContact CG-CD2 4.04Å; P716-F799 HydrophobicContact CG-CE2 3.5Å; P716-F799 VanDerWaalsContact CG-CE2 3.5Å
717	G	94.6	Very high	93.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.8	173	0	0	0	0	0	111.4	F715 M739 W797	F715-G717 PolarHBondContact O-N 2.72Å; G717-M739 WeakPolarHBondContact CA-O 3.49Å; G717-W797 WeakPolarHBondContact O-CZ3 3.25Å
718	R	95.1	Very high	93.5	Very high	25 Å²	25	47.2 Å²	47.2	9%	0.094	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.3	175.4	-58.1	-69.4	-177.7	-100.4	0.9	108.9	Y729 S738 M739 L741 W797	R718-Y729 HydrophobicContact CB-CE2 3.93Å; R718-Y729 WeakPolarHBondContact CD-OH 3.44Å; R718-Y729 HydrophobicContact CG-CE2 4.17Å; R718-Y729 WeakPolarHBondContact CG-OH 3.46Å; R718-Y729 PolarHBondContact NE-OH 3.15Å; R718-S738 PolarHBondContact O-N 3.45Å; R718-M739 HydrophobicContact CB-CB 4.14Å; R718-M739 HydrophobicContact CB-CE 4.34Å; R718-M739 PolarHBondContact N-O 3.3Å; R718-M739 PolarHBondContact O-N 3.41Å; R718-L741 HydrophobicContact CB-CD2 4.39Å; R718-L741 HydrophobicContact CG-CD1 4.08Å; R718-L741 HydrophobicContact CG-CD2 3.64Å; R718-L741 HydrophobicContact CG-CG 3.75Å; R718-W797 PolarHBondContact NH1-O 2.98Å; R718-W797 PolarHBondContact NH2-O 3.37Å
719	F	95.3	Very high	93.4	Very high	30 Å²	30	47 Å²	47	13%	0.132	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.3	179.1	67.5	-75.8	0	0	0	112.4	N730 S732 S738 M739	F719-N730 HydrophobicContact CD1-CB 3.96Å; F719-N730 WeakPolarHBondContact CD1-O 3.5Å; F719-N730 HydrophobicContact CD2-CB 4.06Å; F719-N730 HydrophobicContact CE1-CB 3.57Å; F719-N730 VanDerWaalsContact CE1-CG 3.49Å; F719-N730 HydrophobicContact CE2-CB 3.7Å; F719-N730 HydrophobicContact CG-CB 4.19Å; F719-N730 HydrophobicContact CZ-CB 3.44Å; F719-N730 VanDerWaalsContact CZ-CB 3.44Å; F719-N730 WeakPolarHBondContact CZ-ND2 3.38Å; F719-N730 PolarHBondContact N-O 3.25Å; F719-N730 VanDerWaalsContact N-O 3.13Å; F719-N730 PolarHBondContact O-N 2.98Å; F719-S732 WeakPolarHBondContact CE1-O 3.25Å; F719-S738 WeakPolarHBondContact CA-OG 3.5Å; F719-M739 VanDerWaalsContact C-CE 3.46Å
720	H	95.2	Very high	93.2	Very high	18 Å²	18	48.2 Å²	48.2	8%	0.083	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.4	164	65.6	-95.6	0	0	0	109	W727 Y728 S738 M739 L822 L834 N836	H720-W727 HydrophobicContact CB-CE3 4.47Å; H720-W727 AromaticContact CD2-CE3 3.56Å; H720-W727 AromaticContact CD2-CZ3 3.3Å; H720-W727 WeakPolarHBondContact CD2-CZ3 3.22Å; H720-W727 AromaticContact NE2-CZ3 3.85Å; H720-Y728 CarbonylContact C-O 3.55Å; H720-Y728 VanDerWaalsContact CA-O 3.31Å; H720-Y728 WeakPolarHBondContact CA-O 3.33Å; H720-S738 PolarHBondContact CE1-OG 2.96Å; H720-S738 PolarHBondContact N-OG 2.79Å; H720-S738 VanDerWaalsContact N-OG 3.08Å; H720-S738 WeakPolarHBondContact ND1-CB 3.3Å; H720-S738 PolarHBondContact ND1-OG 3.22Å; H720-M739 HydrophobicContact CB-CE 4.49Å; H720-L822 HydrophobicContact CB-CD1 4.41Å; H720-L834 HydrophobicContact CB-CD1 4.27Å; H720-L834 WeakPolarHBondContact ND1-CB 3.23Å; H720-N836 PolarHBondContact CE1-OD1 3.39Å
721	S	93.3	Very high	92.8	Very high	22 Å²	22	44.9 Å²	44.9	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.6	175	57.3	0	0	0	0	110.4	W727 Y728	S721-W727 WeakPolarHBondContact O-CA 3.33Å; S721-Y728 PolarHBondContact N-O 3.36Å; S721-Y728 PolarHBondContact O-N 3.17Å
722	W	91.5	Very high	92.3	Very high	138 Å²	138	45 Å²	45	52%	0.523	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.4	175.5	-177.9	-107.3	0	0	0	109.9	H725 T726 W727	W722-H725 HydrophobicContact CH2-CB 4.44Å; W722-H725 WeakPolarHBondContact CH2-O 3.18Å; W722-H725 HydrophobicContact CZ2-CB 4.08Å; W722-T726 VanDerWaalsContact CE3-C 3.46Å; W722-W727 HydrophobicContact CB-CE3 4.16Å; W722-W727 HydrophobicContact CB-CH2 4.43Å; W722-W727 HydrophobicContact CB-CZ3 3.87Å; W722-W727 AromaticContact CE3-CD1 3.86Å; W722-W727 AromaticContact CE3-CD2 3.48Å; W722-W727 HydrophobicContact CE3-CD2 3.48Å; W722-W727 VanDerWaalsContact CE3-CD2 3.48Å; W722-W727 AromaticContact CE3-CE2 3.42Å; W722-W727 VanDerWaalsContact CE3-CE2 3.42Å; W722-W727 AromaticContact CE3-CE3 3.87Å; W722-W727 HydrophobicContact CE3-CE3 3.87Å; W722-W727 AromaticContact CE3-CG 3.84Å; W722-W727 HydrophobicContact CE3-CG 3.84Å; W722-W727 HydrophobicContact CE3-CH2 4.24Å; W722-W727 AromaticContact CE3-CZ2 3.87Å; W722-W727 HydrophobicContact CE3-CZ2 3.87Å; W722-W727 HydrophobicContact CE3-CZ3 4.2Å; W722-W727 AromaticContact CE3-NE1 3.6Å; W722-W727 AromaticContact CZ3-CD1 3.49Å; W722-W727 VanDerWaalsContact CZ3-CD1 3.49Å; W722-W727 AromaticContact CZ3-CD2 3.93Å; W722-W727 HydrophobicContact CZ3-CD2 3.93Å; W722-W727 AromaticContact CZ3-CE2 3.57Å; W722-W727 AromaticContact CZ3-CG 3.95Å; W722-W727 HydrophobicContact CZ3-CG 3.95Å; W722-W727 HydrophobicContact CZ3-CZ2 4.19Å; W722-W727 AromaticContact CZ3-NE1 3.23Å
723	T	87.1	Confident	91.7	Very high	66 Å²	66	51.3 Å²	51.3	41%	0.405	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.6	179.5	-50.5	0	0	0	0	108.3	H725 T726 Y728	T723-H725 VanDerWaalsContact C-N 3.26Å; T723-H725 PolarHBondContact O-N 3.14Å; T723-H725 VanDerWaalsContact O-N 3.14Å; T723-T726 PolarHBondContact N-O 2.9Å; T723-T726 PolarHBondContact O-N 2.94Å; T723-Y728 WeakPolarHBondContact O-CE2 3.18Å
724	N	86.6	Confident	91.3	Very high	132 Å²	132	53.2 Å²	53.2	71%	0.706	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.2	176.6	-61.3	-22.3	0	0	0	114.9	T726	N724-T726 PolarHBondContact O-N 2.71Å
725	H	84.1	Confident	91.1	Very high	165 Å²	165	58.7 Å²	58.7	76%	0.764	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	22.9	-177.8	-51.4	94.8	0	0	0	115.4	W722 T723	W722-H725 HydrophobicContact CH2-CB 4.44Å; W722-H725 WeakPolarHBondContact CH2-O 3.18Å; W722-H725 HydrophobicContact CZ2-CB 4.08Å; T723-H725 VanDerWaalsContact C-N 3.26Å; T723-H725 PolarHBondContact O-N 3.14Å; T723-H725 VanDerWaalsContact O-N 3.14Å
726	T	88.1	Confident	91.1	Very high	50 Å²	50	62.2 Å²	62.2	31%	0.307	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.9	174.4	-168.8	0	0	0	0	111.8	W722 T723 N724 Y728	W722-T726 VanDerWaalsContact CE3-C 3.46Å; T723-T726 PolarHBondContact N-O 2.9Å; T723-T726 PolarHBondContact O-N 2.94Å; N724-T726 PolarHBondContact O-N 2.71Å; T726-Y728 HydrophobicContact CG2-CD2 3.92Å; T726-Y728 HydrophobicContact CG2-CE2 3.17Å
727	W	90	Very high	91.1	Very high	67 Å²	67	62.2 Å²	62.2	25%	0.254	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129	-179.8	-63.6	98.4	0	0	0	110.6	H720 S721 W722 M826 N832	H720-W727 HydrophobicContact CB-CE3 4.47Å; H720-W727 AromaticContact CD2-CE3 3.56Å; H720-W727 AromaticContact CD2-CZ3 3.3Å; H720-W727 WeakPolarHBondContact CD2-CZ3 3.22Å; H720-W727 AromaticContact NE2-CZ3 3.85Å; S721-W727 WeakPolarHBondContact O-CA 3.33Å; W722-W727 HydrophobicContact CB-CE3 4.16Å; W722-W727 HydrophobicContact CB-CH2 4.43Å; W722-W727 HydrophobicContact CB-CZ3 3.87Å; W722-W727 AromaticContact CE3-CD1 3.86Å; W722-W727 AromaticContact CE3-CD2 3.48Å; W722-W727 HydrophobicContact CE3-CD2 3.48Å; W722-W727 VanDerWaalsContact CE3-CD2 3.48Å; W722-W727 AromaticContact CE3-CE2 3.42Å; W722-W727 VanDerWaalsContact CE3-CE2 3.42Å; W722-W727 AromaticContact CE3-CE3 3.87Å; W722-W727 HydrophobicContact CE3-CE3 3.87Å; W722-W727 AromaticContact CE3-CG 3.84Å; W722-W727 HydrophobicContact CE3-CG 3.84Å; W722-W727 HydrophobicContact CE3-CH2 4.24Å; W722-W727 AromaticContact CE3-CZ2 3.87Å; W722-W727 HydrophobicContact CE3-CZ2 3.87Å; W722-W727 HydrophobicContact CE3-CZ3 4.2Å; W722-W727 AromaticContact CE3-NE1 3.6Å; W722-W727 AromaticContact CZ3-CD1 3.49Å; W722-W727 VanDerWaalsContact CZ3-CD1 3.49Å; W722-W727 AromaticContact CZ3-CD2 3.93Å; W722-W727 HydrophobicContact CZ3-CD2 3.93Å; W722-W727 AromaticContact CZ3-CE2 3.57Å; W722-W727 AromaticContact CZ3-CG 3.95Å; W722-W727 HydrophobicContact CZ3-CG 3.95Å; W722-W727 HydrophobicContact CZ3-CZ2 4.19Å; W722-W727 AromaticContact CZ3-NE1 3.23Å; W727-M826 HydrophobicContact CB-SD 4.24Å; W727-M826 VanDerWaalsContact CD1-CE 3.43Å; W727-M826 HydrophobicContact CD2-SD 4.01Å; W727-M826 HydrophobicContact CG-CE 4.36Å; W727-M826 HydrophobicContact CG-SD 3.51Å; W727-M826 VanDerWaalsContact CG-SD 3.51Å; W727-M826 PolarHBondContact NE1-SD 3.21Å; W727-N832 HydrophobicContact CZ2-CB 4.38Å
728	Y	91.6	Very high	91.3	Very high	76 Å²	76	62.2 Å²	62.2	30%	0.298	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.7	175.5	-72.7	-89.6	0	0	0	110.3	H720 S721 T723 T726 H819 L822	H720-Y728 CarbonylContact C-O 3.55Å; H720-Y728 VanDerWaalsContact CA-O 3.31Å; H720-Y728 WeakPolarHBondContact CA-O 3.33Å; S721-Y728 PolarHBondContact N-O 3.36Å; S721-Y728 PolarHBondContact O-N 3.17Å; T723-Y728 WeakPolarHBondContact O-CE2 3.18Å; T726-Y728 HydrophobicContact CG2-CD2 3.92Å; T726-Y728 HydrophobicContact CG2-CE2 3.17Å; Y728-H819 HydrophobicContact CD1-CB 4.36Å; Y728-H819 AromaticContact CD1-CD2 3.56Å; Y728-H819 AromaticContact CD1-CE1 3.94Å; Y728-H819 AromaticContact CD1-CG 3.7Å; Y728-H819 AromaticContact CD1-ND1 3.94Å; Y728-H819 AromaticContact CD1-NE2 3.72Å; Y728-H819 AromaticContact CE1-CD2 3.94Å; Y728-L822 VanDerWaalsContact C-CD1 3.46Å
729	Y	93.3	Very high	91.4	Very high	8 Å²	8	61 Å²	61	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.8	168.7	171	-87.9	0	0	0	107.8	R718 M739 V776 Y815 R818 H819 L822	R718-Y729 HydrophobicContact CB-CE2 3.93Å; R718-Y729 WeakPolarHBondContact CD-OH 3.44Å; R718-Y729 HydrophobicContact CG-CE2 4.17Å; R718-Y729 WeakPolarHBondContact CG-OH 3.46Å; R718-Y729 PolarHBondContact NE-OH 3.15Å; Y729-M739 HydrophobicContact CD2-CE 3.76Å; Y729-M739 HydrophobicContact CD2-SD 4.38Å; Y729-M739 HydrophobicContact CE2-CE 4.02Å; Y729-M739 HydrophobicContact CE2-SD 4.44Å; Y729-V776 HydrophobicContact CD2-CG2 4.31Å; Y729-V776 HydrophobicContact CE2-CG2 4.36Å; Y729-Y815 HydrophobicContact CD1-CD1 4.05Å; Y729-Y815 HydrophobicContact CD1-CE1 4.3Å; Y729-Y815 HydrophobicContact CE1-CD1 4.23Å; Y729-Y815 HydrophobicContact CE1-CE1 4.06Å; Y729-R818 HydrophobicContact CD1-CB 3.98Å; Y729-R818 HydrophobicContact CD2-CB 4.31Å; Y729-R818 HydrophobicContact CG-CB 3.79Å; Y729-R818 VanDerWaalsContact CZ-NH1 3.33Å; Y729-R818 PolarHBondContact OH-NH1 2.9Å; Y729-H819 PolarHBondContact N-ND1 3.22Å; Y729-H819 PolarHBondContact O-CE1 2.97Å; Y729-H819 PolarHBondContact O-ND1 3.17Å; Y729-L822 VanDerWaalsContact N-CD1 3.3Å
730	N	91.2	Very high	91.5	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128	-177.9	-160.2	-35.2	0	0	0	111.4	F719 S732	F719-N730 HydrophobicContact CD1-CB 3.96Å; F719-N730 WeakPolarHBondContact CD1-O 3.5Å; F719-N730 HydrophobicContact CD2-CB 4.06Å; F719-N730 HydrophobicContact CE1-CB 3.57Å; F719-N730 VanDerWaalsContact CE1-CG 3.49Å; F719-N730 HydrophobicContact CE2-CB 3.7Å; F719-N730 HydrophobicContact CG-CB 4.19Å; F719-N730 HydrophobicContact CZ-CB 3.44Å; F719-N730 VanDerWaalsContact CZ-CB 3.44Å; F719-N730 WeakPolarHBondContact CZ-ND2 3.38Å; F719-N730 PolarHBondContact N-O 3.25Å; F719-N730 VanDerWaalsContact N-O 3.13Å; F719-N730 PolarHBondContact O-N 2.98Å; N730-S732 WeakPolarHBondContact OD1-CB 3.46Å; N730-S732 PolarHBondContact OD1-N 3.25Å; N730-S732 PolarHBondContact OD1-OG 3.36Å
731	S	89.1	Confident	91.6	Very high	32 Å²	32	59.8 Å²	59.8	22%	0.224	31%	0.311	C	S	.	.			trans	-101.9	-2.2	178.8	60.4	0	0	0	0	114.2	Y815	S731-Y815 WeakPolarHBondContact OG-CE1 3.46Å; S731-Y815 PolarHBondContact OG-OH 3.32Å
732	S	87.6	Confident	91.7	Very high	65 Å²	65	58.8 Å²	58.8	46%	0.455	30%	0.303	S	S	.	.	S	Bend	trans	-58.7	152.2	178.4	-55.4	0	0	0	0	111.4	F719 N730 S734	F719-S732 WeakPolarHBondContact CE1-O 3.25Å; N730-S732 WeakPolarHBondContact OD1-CB 3.46Å; N730-S732 PolarHBondContact OD1-N 3.25Å; N730-S732 PolarHBondContact OD1-OG 3.36Å; S732-S734 PolarHBondContact O-N 3.19Å
733	H	86.5	Confident	91.8	Very high	134 Å²	134	52.5 Å²	52.5	62%	0.62	28%	0.282	S	S	*	.			trans	-65.2	116.9	169.6	-67.2	-84.5	0	0	0	109.4	W797	H733-W797 VanDerWaalsContact CE1-CB 3.44Å; H733-W797 WeakPolarHBondContact CE1-CB 3.4Å; H733-W797 AromaticContact CE1-CD1 3.69Å; H733-W797 AromaticContact CE1-CD2 3.96Å; H733-W797 AromaticContact CE1-CG 3.42Å; H733-W797 VanDerWaalsContact CE1-CG 3.42Å; H733-W797 AromaticContact ND1-CD1 3.6Å; H733-W797 AromaticContact ND1-CD2 3.5Å; H733-W797 AromaticContact ND1-CE2 3.78Å; H733-W797 AromaticContact ND1-CG 3.42Å; H733-W797 AromaticContact ND1-NE1 3.81Å
734	S	90	Very high	92.3	Very high	39 Å²	39	49.4 Å²	49.4	27%	0.273	26%	0.263	S	S	.	.			trans	-131.2	154.2	-179.7	178.6	0	0	0	0	110.3	S732 E736 W797	S732-S734 PolarHBondContact O-N 3.19Å; S734-E736 VanDerWaalsContact CB-O 3.32Å; S734-E736 WeakPolarHBondContact CB-O 3.47Å; S734-E736 PolarHBondContact OG-N 3.3Å; S734-E736 VanDerWaalsContact OG-N 3.13Å; S734-E736 PolarHBondContact OG-O 2.77Å; S734-W797 WeakPolarHBondContact O-CH2 3.43Å
735	C	92.9	Very high	92.8	Very high	115 Å²	115	43.1 Å²	43.1	78%	0.777	23%	0.229	S	C	*	.	S	Bend	trans	-73.4	-15.2	170.4	-64.7	0	0	0	0	112.3	Q838	C735-Q838 WeakPolarHBondContact O-CG 3.21Å
736	E	94.8	Very high	93.5	Very high	74 Å²	74	35.2 Å²	35.2	35%	0.346	19%	0.193	S	C	.	.			trans	-115.8	139.6	175.5	-56.4	-163.1	154.6	0	0	110.7	S734 T837 Q838	S734-E736 VanDerWaalsContact CB-O 3.32Å; S734-E736 WeakPolarHBondContact CB-O 3.47Å; S734-E736 PolarHBondContact OG-N 3.3Å; S734-E736 VanDerWaalsContact OG-N 3.13Å; S734-E736 PolarHBondContact OG-O 2.77Å; E736-T837 WeakPolarHBondContact CA-O 3.44Å; E736-Q838 HydrophobicContact CG-CG 3.77Å; E736-Q838 PolarHBondContact OE1-NE2 2.97Å
737	L	96.3	Very high	94	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-130.4	157.9	170.7	68.2	126	0	0	0	110.8	V740 P790 K792 N836 T837	L737-V740 HydrophobicContact CD1-CG2 4.01Å; L737-P790 HydrophobicContact CD1-CG 4.25Å; L737-K792 HydrophobicContact CD1-CB 4.01Å; L737-K792 HydrophobicContact CD2-CB 3.98Å; L737-K792 HydrophobicContact CD2-CD 4.14Å; L737-N836 CarbonylContact O-C 3.2Å; L737-N836 WeakPolarHBondContact O-CA 3.08Å; L737-T837 HydrophobicContact CD1-CG2 4.1Å; L737-T837 HydrophobicContact CD2-CG2 4.27Å; L737-T837 HydrophobicContact CG-CG2 3.78Å; L737-T837 PolarHBondContact N-O 2.83Å; L737-T837 PolarHBondContact O-N 3.5Å
738	S	97.6	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-136.6	-2	173.7	39.7	0	0	0	0	113.7	R718 F719 H720 P790 L835 N836	R718-S738 PolarHBondContact O-N 3.45Å; F719-S738 WeakPolarHBondContact CA-OG 3.5Å; H720-S738 PolarHBondContact CE1-OG 2.96Å; H720-S738 PolarHBondContact N-OG 2.79Å; H720-S738 VanDerWaalsContact N-OG 3.08Å; H720-S738 WeakPolarHBondContact ND1-CB 3.3Å; H720-S738 PolarHBondContact ND1-OG 3.22Å; S738-P790 WeakPolarHBondContact O-CD 3.28Å; S738-L835 VanDerWaalsContact CA-O 3.28Å; S738-L835 WeakPolarHBondContact CA-O 3.11Å; S738-L835 WeakPolarHBondContact CB-O 3.41Å; S738-N836 VanDerWaalsContact CB-OD1 3.28Å; S738-N836 WeakPolarHBondContact CB-OD1 3Å; S738-N836 PolarHBondContact OG-OD1 3.43Å
739	M	97.8	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.9	177.9	-68.7	173.3	-77.2	0	0	110	G717 R718 F719 H720 Y729 V776 N779 L834	G717-M739 WeakPolarHBondContact CA-O 3.49Å; R718-M739 HydrophobicContact CB-CB 4.14Å; R718-M739 HydrophobicContact CB-CE 4.34Å; R718-M739 PolarHBondContact N-O 3.3Å; R718-M739 PolarHBondContact O-N 3.41Å; F719-M739 VanDerWaalsContact C-CE 3.46Å; H720-M739 HydrophobicContact CB-CE 4.49Å; Y729-M739 HydrophobicContact CD2-CE 3.76Å; Y729-M739 HydrophobicContact CD2-SD 4.38Å; Y729-M739 HydrophobicContact CE2-CE 4.02Å; Y729-M739 HydrophobicContact CE2-SD 4.44Å; M739-V776 HydrophobicContact SD-CG1 4.14Å; M739-V776 HydrophobicContact SD-CG2 4.25Å; M739-N779 VanDerWaalsContact CA-OD1 3.3Å; M739-N779 WeakPolarHBondContact CA-OD1 3.32Å; M739-N779 HydrophobicContact CB-CB 4.38Å; M739-N779 HydrophobicContact CG-CB 3.88Å; M739-L834 HydrophobicContact CE-CD1 4.08Å; M739-L834 HydrophobicContact CG-CD1 3.7Å; M739-L834 HydrophobicContact CG-CD2 3.95Å; M739-L834 HydrophobicContact CG-CG 4.49Å; M739-L834 HydrophobicContact SD-CD1 3.69Å
740	V	97.4	Very high	94.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.8	164.6	166.8	0	0	0	0	107.7	I712 G714 P716 L737 A745 N779 P790 K792	I712-V740 HydrophobicContact CG2-CB 4.14Å; I712-V740 HydrophobicContact CG2-CG1 4.11Å; G714-V740 VanDerWaalsContact CA-CG1 3.48Å; P716-V740 WeakPolarHBondContact O-CA 3.45Å; L737-V740 HydrophobicContact CD1-CG2 4.01Å; V740-A745 HydrophobicContact CG1-CB 4.1Å; V740-N779 PolarHBondContact N-OD1 3.2Å; V740-N779 PolarHBondContact O-ND2 3.13Å; V740-N779 PolarHBondContact O-OD1 3.35Å; V740-P790 HydrophobicContact CB-CB 3.95Å; V740-P790 HydrophobicContact CB-CG 4.41Å; V740-P790 HydrophobicContact CG2-CB 3.73Å; V740-P790 HydrophobicContact CG2-CG 4.01Å; V740-K792 HydrophobicContact CG2-CB 4.49Å
741	L	96.2	Very high	95.1	Very high	22 Å²	22	24.8 Å²	24.8	12%	0.115	14%	0.144	C	C	.	.			trans	-68.2	135.7	-177.5	-58.1	-168.3	0	0	0	111.3	P716 R718 G743 A744 D775	P716-L741 HydrophobicContact CB-CB 4.1Å; P716-L741 HydrophobicContact CB-CD1 4.18Å; P716-L741 HydrophobicContact CB-CG 4.09Å; P716-L741 HydrophobicContact CG-CB 4.28Å; P716-L741 PolarHBondContact O-N 2.79Å; R718-L741 HydrophobicContact CB-CD2 4.39Å; R718-L741 HydrophobicContact CG-CD1 4.08Å; R718-L741 HydrophobicContact CG-CD2 3.64Å; R718-L741 HydrophobicContact CG-CG 3.75Å; L741-G743 PolarHBondContact O-N 3.32Å; L741-A744 PolarHBondContact O-N 3.46Å; L741-D775 HydrophobicContact CD2-CB 4.49Å; L741-D775 VanDerWaalsContact CD2-OD2 3.27Å; L741-D775 WeakPolarHBondContact CD2-OD2 3.38Å
742	T	96.8	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.8	-175.9	56.5	0	0	0	0	113.6	F673 S686 A744 I747 D775 M778	F673-T742 HydrophobicContact CE1-CG2 4.18Å; F673-T742 HydrophobicContact CZ-CG2 3.94Å; F673-T742 WeakPolarHBondContact CZ-OG1 3.27Å; S686-T742 CarbonylContact C-O 3.47Å; S686-T742 WeakPolarHBondContact CB-O 3.3Å; S686-T742 PolarHBondContact OG-O 2.98Å; T742-A744 PolarHBondContact O-N 3.42Å; T742-I747 HydrophobicContact CG2-CD1 3.71Å; T742-D775 HydrophobicContact CG2-CB 4.33Å; T742-D775 WeakPolarHBondContact OG1-CA 3.28Å; T742-D775 VanDerWaalsContact OG1-CB 3.25Å; T742-D775 WeakPolarHBondContact OG1-CB 3.33Å; T742-M778 HydrophobicContact CG2-CB 4.06Å; T742-M778 HydrophobicContact CG2-CG 4Å
743	G	93.9	Very high	96.1	Very high	7 Å²	7	20.2 Å²	20.2	7%	0.072	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.4	170.9	0	0	0	0	0	114.2	I687 D688 L741	I687-G743 CarbonylContact C-O 3.16Å; I687-G743 VanDerWaalsContact CA-O 3.25Å; I687-G743 WeakPolarHBondContact CA-O 3.44Å; D688-G743 VanDerWaalsContact CG-CA 3.42Å; D688-G743 PolarHBondContact N-O 3.45Å; D688-G743 WeakPolarHBondContact OD1-CA 3.1Å; D688-G743 VanDerWaalsContact OD2-CA 3.29Å; D688-G743 WeakPolarHBondContact OD2-CA 3.29Å; L741-G743 PolarHBondContact O-N 3.32Å
744	A	96	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	71.8	170.3	0	0	0	0	0	109.3	S686 V691 L693 G714 F715 L741 T742 F799	S686-A744 WeakPolarHBondContact O-CA 3.46Å; S686-A744 PolarHBondContact O-N 3.46Å; V691-A744 HydrophobicContact CG1-CB 4.02Å; L693-A744 HydrophobicContact CD1-CB 4.29Å; G714-A744 WeakPolarHBondContact CA-O 3.39Å; F715-A744 HydrophobicContact CD2-CB 3.75Å; F715-A744 VanDerWaalsContact CD2-O 3.26Å; F715-A744 WeakPolarHBondContact CD2-O 3.23Å; F715-A744 HydrophobicContact CE2-CB 4.5Å; F715-A744 PolarHBondContact N-O 2.94Å; F715-A744 VanDerWaalsContact N-O 3.15Å; L741-A744 PolarHBondContact O-N 3.46Å; T742-A744 PolarHBondContact O-N 3.42Å; A744-F799 HydrophobicContact CB-CD2 4.5Å; A744-F799 HydrophobicContact CB-CE2 3.49Å; A744-F799 VanDerWaalsContact CB-CE2 3.49Å; A744-F799 HydrophobicContact CB-CZ 3.8Å
745	A	98.1	Very high	96.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.4	-178.2	0	0	0	0	0	113.1	S686 I712 V713 V740	S686-A745 PolarHBondContact N-O 3.01Å; S686-A745 PolarHBondContact O-N 3.27Å; I712-A745 HydrophobicContact CG2-CB 3.71Å; V713-A745 CarbonylContact O-C 3.36Å; V713-A745 WeakPolarHBondContact O-CA 3.37Å; V740-A745 HydrophobicContact CG1-CB 4.1Å
746	F	98.7	Very high	97.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.4	165.2	-76.6	-84	0	0	0	110.9	F608 A683 I684 L685 I698 A701 F702 W705 V713	F608-F746 HydrophobicContact CB-CD1 4.49Å; F608-F746 HydrophobicContact CB-CE1 3.73Å; F608-F746 HydrophobicContact CD1-CE1 4.05Å; F608-F746 HydrophobicContact CD1-CZ 4.28Å; F608-F746 AromaticContact CD2-CE1 3.83Å; F608-F746 HydrophobicContact CD2-CE1 3.83Å; F608-F746 HydrophobicContact CD2-CZ 4.13Å; F608-F746 HydrophobicContact CE1-CZ 4.45Å; F608-F746 HydrophobicContact CE2-CE1 4.46Å; F608-F746 HydrophobicContact CE2-CZ 4.31Å; F608-F746 AromaticContact CG-CE1 3.6Å; F608-F746 HydrophobicContact CG-CE1 3.6Å; F608-F746 HydrophobicContact CG-CZ 4.12Å; F608-F746 HydrophobicContact CZ-CZ 4.47Å; A683-F746 HydrophobicContact CB-CD1 4.42Å; I684-F746 CarbonylContact O-C 3.55Å; I684-F746 VanDerWaalsContact O-CA 3.28Å; I684-F746 WeakPolarHBondContact O-CA 3.39Å; L685-F746 HydrophobicContact CB-CD1 4.15Å; L685-F746 HydrophobicContact CB-CE1 3.72Å; L685-F746 HydrophobicContact CB-CE2 4.49Å; L685-F746 HydrophobicContact CB-CZ 3.9Å; L685-F746 HydrophobicContact CD1-CD2 4.1Å; L685-F746 HydrophobicContact CD1-CE2 3.9Å; L685-F746 HydrophobicContact CD1-CZ 4.15Å; L685-F746 HydrophobicContact CD2-CZ 4.2Å; L685-F746 HydrophobicContact CG-CZ 4.31Å; I698-F746 HydrophobicContact CG2-CE2 4.33Å; I698-F746 HydrophobicContact CG2-CZ 4.02Å; A701-F746 HydrophobicContact CB-CD2 3.83Å; A701-F746 HydrophobicContact CB-CE2 3.79Å; F702-F746 HydrophobicContact CB-CE1 4.05Å; F702-F746 HydrophobicContact CB-CE2 3.86Å; F702-F746 HydrophobicContact CB-CZ 3.56Å; F702-F746 HydrophobicContact CD2-CD1 4.18Å; F702-F746 AromaticContact CD2-CE1 3.76Å; F702-F746 HydrophobicContact CD2-CE1 3.76Å; F702-F746 HydrophobicContact CD2-CZ 4.18Å; F702-F746 HydrophobicContact CG-CE1 4.25Å; F702-F746 HydrophobicContact CG-CZ 4.21Å; W705-F746 HydrophobicContact CB-CB 3.65Å; W705-F746 HydrophobicContact CB-CG 4.12Å; W705-F746 VanDerWaalsContact CD1-CB 3.45Å; W705-F746 HydrophobicContact CD2-CB 4.26Å; W705-F746 HydrophobicContact CG-CB 3.48Å; W705-F746 VanDerWaalsContact CG-CB 3.48Å; W705-F746 HydrophobicContact CG-CG 4.24Å; V713-F746 PolarHBondContact N-O 3.13Å; V713-F746 PolarHBondContact O-N 3.04Å
747	I	98.5	Very high	97.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.7	-179.3	-50.9	173.4	0	0	0	107.6	F673 I684 I712 T742 Y751 F752 M778	F673-I747 HydrophobicContact CE1-CD1 4.17Å; I684-I747 PolarHBondContact N-O 2.87Å; I684-I747 PolarHBondContact O-N 3.02Å; I712-I747 HydrophobicContact CG1-CG1 4.43Å; I712-I747 HydrophobicContact CG2-CG1 4.25Å; T742-I747 HydrophobicContact CG2-CD1 3.71Å; I747-Y751 HydrophobicContact CG2-CD2 3.94Å; I747-Y751 HydrophobicContact CG2-CG 4.45Å; I747-F752 HydrophobicContact CB-CE2 4.03Å; I747-F752 HydrophobicContact CD1-CE2 4.29Å; I747-F752 HydrophobicContact CG2-CD2 4.25Å; I747-F752 HydrophobicContact CG2-CE2 3.92Å; I747-M778 HydrophobicContact CD1-CG 4.21Å
748	H	98.2	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	136	175.8	-169	-80	0	0	0	111.2	P563 E682 W705 H750 Y751	P563-H748 HydrophobicContact CB-CB 4.29Å; E682-H748 CarbonylContact O-C 3.59Å; E682-H748 WeakPolarHBondContact O-CA 3.45Å; E682-H748 IonicContact OE2-NE2 3.27Å; W705-H748 HydrophobicContact CZ2-CB 3.93Å; W705-H748 AromaticContact CZ2-CD2 3.73Å; H748-H750 WeakPolarHBondContact ND1-CB 3.35Å; H748-H750 PolarHBondContact ND1-N 3.02Å; H748-H750 PolarHBondContact O-N 3.24Å; H748-H750 VanDerWaalsContact O-N 3.08Å; H748-Y751 HydrophobicContact CB-CD2 3.83Å; H748-Y751 HydrophobicContact CB-CE2 3.88Å; H748-Y751 PolarHBondContact O-N 2.94Å
749	K	97.2	Very high	96.8	Very high	14 Å²	14	11.1 Å²	11.1	6%	0.061	5%	0.05	C	C	.	.	H	α-helix	trans	-51.2	-35	-179.6	-171.7	-177.8	-177.6	-172.7	0	113	D491 I679 E682 I684 Y751 F752 Y753	D491-K749 IonicContact OD1-NZ 2.71Å; D491-K749 PolarHBondContact OD1-NZ 3.39Å; D491-K749 IonicContact OD2-NZ 3.25Å; I679-K749 HydrophobicContact CB-CD 4.39Å; I679-K749 HydrophobicContact CG2-CD 3.92Å; I679-K749 HydrophobicContact CG2-CG 4.32Å; I679-K749 WeakPolarHBondContact O-CE 3.42Å; I679-K749 PolarHBondContact O-NZ 2.9Å; E682-K749 PolarHBondContact O-N 3.37Å; I684-K749 HydrophobicContact CD1-CB 3.87Å; I684-K749 HydrophobicContact CD1-CG 4.1Å; I684-K749 HydrophobicContact CG1-CB 4.49Å; K749-Y751 PolarHBondContact O-N 2.97Å; K749-Y751 VanDerWaalsContact O-N 3.14Å; K749-F752 VanDerWaalsContact O-CB 3.3Å; K749-F752 WeakPolarHBondContact O-CB 3.36Å; K749-F752 PolarHBondContact O-N 3.05Å; K749-Y753 HydrophobicContact CD-CE2 4.14Å; K749-Y753 WeakPolarHBondContact CE-OH 3.36Å; K749-Y753 HydrophobicContact CG-CE2 3.92Å; K749-Y753 PolarHBondContact NZ-OH 3.1Å; K749-Y753 WeakPolarHBondContact O-CD2 3.43Å; K749-Y753 PolarHBondContact O-N 2.77Å
750	H	96.3	Very high	96.5	Very high	10 Å²	10	12.7 Å²	12.7	5%	0.046	6%	0.06	C	C	.	.	H	α-helix	trans	-46.7	-41.9	172.5	-174.2	77	0	0	0	113.7	Y559 P563 H748 F752 Y753 L754	Y559-H750 AromaticContact CD1-CE1 3.7Å; Y559-H750 AromaticContact CD1-ND1 3.5Å; Y559-H750 WeakPolarHBondContact CD1-ND1 3.36Å; Y559-H750 AromaticContact CD2-CE1 3.67Å; Y559-H750 AromaticContact CE1-CE1 3.84Å; Y559-H750 AromaticContact CE2-CE1 3.83Å; Y559-H750 AromaticContact CG-CE1 3.61Å; Y559-H750 AromaticContact CG-ND1 3.52Å; Y559-H750 AromaticContact CZ-CE1 3.93Å; P563-H750 HydrophobicContact CG-CB 4.44Å; H748-H750 WeakPolarHBondContact ND1-CB 3.35Å; H748-H750 PolarHBondContact ND1-N 3.02Å; H748-H750 PolarHBondContact O-N 3.24Å; H748-H750 VanDerWaalsContact O-N 3.08Å; H750-F752 VanDerWaalsContact C-N 3.28Å; H750-F752 PolarHBondContact O-N 3.17Å; H750-Y753 PolarHBondContact O-N 3.05Å; H750-L754 PolarHBondContact O-N 3.41Å; H750-L754 VanDerWaalsContact O-N 3.14Å
751	Y	98.2	Very high	96.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-72.1	-20.9	-179.4	-59.4	-55.6	0	0	0	113.4	P563 R710 I747 H748 K749 L754 Y755 V782 T786	P563-Y751 HydrophobicContact CG-CE1 4.42Å; P563-Y751 HydrophobicContact CG-CE2 4.32Å; R710-Y751 WeakPolarHBondContact CA-OH 3.47Å; R710-Y751 PolarHBondContact O-OH 3.31Å; I747-Y751 HydrophobicContact CG2-CD2 3.94Å; I747-Y751 HydrophobicContact CG2-CG 4.45Å; H748-Y751 HydrophobicContact CB-CD2 3.83Å; H748-Y751 HydrophobicContact CB-CE2 3.88Å; H748-Y751 PolarHBondContact O-N 2.94Å; K749-Y751 PolarHBondContact O-N 2.97Å; K749-Y751 VanDerWaalsContact O-N 3.14Å; Y751-L754 HydrophobicContact CD1-CD1 4.17Å; Y751-L754 PolarHBondContact O-N 3.49Å; Y751-Y755 VanDerWaalsContact O-CB 3.28Å; Y751-Y755 WeakPolarHBondContact O-CB 3.34Å; Y751-Y755 PolarHBondContact O-N 3.28Å; Y751-V782 HydrophobicContact CD1-CG2 3.85Å; Y751-V782 HydrophobicContact CD2-CG2 3.94Å; Y751-V782 HydrophobicContact CE1-CG1 4.31Å; Y751-V782 HydrophobicContact CE1-CG2 4.22Å; Y751-V782 HydrophobicContact CE2-CG1 4.19Å; Y751-V782 HydrophobicContact CE2-CG2 4.27Å; Y751-V782 HydrophobicContact CG-CG2 3.71Å; Y751-T786 HydrophobicContact CE1-CG2 4.26Å; Y751-T786 WeakPolarHBondContact OH-CG2 3.19Å
752	F	98.3	Very high	96.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.6	-43.7	173	-77.9	-141.1	0	0	0	109.7	R672 F673 P675 I679 I684 I747 K749 H750 L754 Y755 T756 M778	R672-F752 VanDerWaalsContact O-CE1 3.27Å; R672-F752 WeakPolarHBondContact O-CE1 3.35Å; F673-F752 VanDerWaalsContact C-CD1 3.41Å; F673-F752 HydrophobicContact CB-CD1 4.47Å; F673-F752 HydrophobicContact CD1-CD2 4.49Å; F673-F752 HydrophobicContact CD1-CE1 4.36Å; F673-F752 AromaticContact CD1-CE2 3.91Å; F673-F752 HydrophobicContact CD1-CE2 3.91Å; F673-F752 AromaticContact CD1-CZ 3.83Å; F673-F752 HydrophobicContact CD1-CZ 3.83Å; F673-F752 WeakPolarHBondContact O-CA 3.49Å; F673-F752 WeakPolarHBondContact O-CB 3.49Å; F673-F752 VanDerWaalsContact O-CD1 3.25Å; F673-F752 WeakPolarHBondContact O-CD1 3.36Å; F673-F752 WeakPolarHBondContact O-CG 3.47Å; P675-F752 HydrophobicContact CB-CB 4.12Å; I679-F752 HydrophobicContact CD1-CD1 4.41Å; I679-F752 HydrophobicContact CD1-CE1 4.44Å; I684-F752 HydrophobicContact CB-CZ 4.23Å; I684-F752 HydrophobicContact CD1-CD1 3.74Å; I684-F752 HydrophobicContact CD1-CD2 3.99Å; I684-F752 HydrophobicContact CD1-CE1 3.65Å; I684-F752 HydrophobicContact CD1-CE2 3.9Å; I684-F752 HydrophobicContact CD1-CG 3.93Å; I684-F752 HydrophobicContact CD1-CZ 3.73Å; I684-F752 HydrophobicContact CG2-CE1 4.15Å; I684-F752 HydrophobicContact CG2-CZ 3.77Å; I747-F752 HydrophobicContact CB-CE2 4.03Å; I747-F752 HydrophobicContact CD1-CE2 4.29Å; I747-F752 HydrophobicContact CG2-CD2 4.25Å; I747-F752 HydrophobicContact CG2-CE2 3.92Å; K749-F752 VanDerWaalsContact O-CB 3.3Å; K749-F752 WeakPolarHBondContact O-CB 3.36Å; K749-F752 PolarHBondContact O-N 3.05Å; H750-F752 VanDerWaalsContact C-N 3.28Å; H750-F752 PolarHBondContact O-N 3.17Å; F752-L754 PolarHBondContact O-N 3.32Å; F752-Y755 PolarHBondContact O-N 3.04Å; F752-T756 PolarHBondContact O-N 2.78Å; F752-T756 PolarHBondContact O-OG1 3.27Å; F752-M778 HydrophobicContact CD2-CE 4.27Å; F752-M778 HydrophobicContact CE2-CE 4.44Å
753	Y	97.4	Very high	96	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-43.5	171.7	-64	-76	0	0	0	112.6	I489 D491 Y559 P560 P675 K749 H750 Y755 T756 Y757	I489-Y753 HydrophobicContact CB-CD1 4.43Å; I489-Y753 HydrophobicContact CD1-CD1 3.78Å; I489-Y753 HydrophobicContact CD1-CG 4.06Å; I489-Y753 HydrophobicContact CG1-CD1 3.88Å; I489-Y753 HydrophobicContact CG1-CE1 4.38Å; I489-Y753 HydrophobicContact CG2-CD1 3.7Å; I489-Y753 HydrophobicContact CG2-CE1 3.58Å; I489-Y753 HydrophobicContact CG2-CE2 4.42Å; I489-Y753 HydrophobicContact CG2-CG 4.21Å; D491-Y753 WeakPolarHBondContact OD1-CE1 3.13Å; D491-Y753 VanDerWaalsContact OD1-CZ 3.32Å; D491-Y753 PolarHBondContact OD1-OH 2.75Å; Y559-Y753 HydrophobicContact CD1-CD2 4.1Å; Y559-Y753 HydrophobicContact CD1-CG 4.17Å; Y559-Y753 HydrophobicContact CE1-CG 4.31Å; P560-Y753 HydrophobicContact CG-CE2 3.95Å; P560-Y753 WeakPolarHBondContact CG-OH 3.28Å; P675-Y753 HydrophobicContact CB-CD1 3.62Å; P675-Y753 HydrophobicContact CB-CD2 4.33Å; P675-Y753 HydrophobicContact CB-CE1 3.51Å; P675-Y753 HydrophobicContact CB-CE2 4.28Å; P675-Y753 HydrophobicContact CB-CG 4.03Å; P675-Y753 HydrophobicContact CG-CD1 3.56Å; P675-Y753 HydrophobicContact CG-CE1 3.79Å; P675-Y753 HydrophobicContact CG-CG 4.2Å; K749-Y753 HydrophobicContact CD-CE2 4.14Å; K749-Y753 WeakPolarHBondContact CE-OH 3.36Å; K749-Y753 HydrophobicContact CG-CE2 3.92Å; K749-Y753 PolarHBondContact NZ-OH 3.1Å; K749-Y753 WeakPolarHBondContact O-CD2 3.43Å; K749-Y753 PolarHBondContact O-N 2.77Å; H750-Y753 PolarHBondContact O-N 3.05Å; Y753-Y755 VanDerWaalsContact C-N 3.31Å; Y753-Y755 PolarHBondContact O-N 3.05Å; Y753-T756 PolarHBondContact O-N 3.07Å; Y753-Y757 HydrophobicContact CD1-CD2 4.11Å; Y753-Y757 AromaticContact CD1-CE2 3.91Å; Y753-Y757 HydrophobicContact CD1-CE2 3.91Å; Y753-Y757 WeakPolarHBondContact O-CB 3.42Å; Y753-Y757 PolarHBondContact O-N 3.15Å
754	L	96.9	Very high	96.1	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	10%	0.098	C	C	.	.	I	π-helix	trans	-64.2	-38.9	177.4	-64.7	-171.3	0	0	0	111.3	Y559 H750 Y751 F752 W758 M759 L781 V785	Y559-L754 HydrophobicContact CE1-CD2 4.29Å; Y559-L754 WeakPolarHBondContact OH-CD2 3.45Å; H750-L754 PolarHBondContact O-N 3.41Å; H750-L754 VanDerWaalsContact O-N 3.14Å; Y751-L754 HydrophobicContact CD1-CD1 4.17Å; Y751-L754 PolarHBondContact O-N 3.49Å; F752-L754 PolarHBondContact O-N 3.32Å; L754-W758 HydrophobicContact CB-CB 4.28Å; L754-W758 HydrophobicContact CD2-CB 3.83Å; L754-W758 HydrophobicContact CD2-CG 4.07Å; L754-W758 CarbonylContact O-C 3.11Å; L754-W758 WeakPolarHBondContact O-CA 3.48Å; L754-W758 WeakPolarHBondContact O-CB 3.14Å; L754-W758 PolarHBondContact O-N 2.65Å; L754-M759 PolarHBondContact O-N 3.48Å; L754-L781 HydrophobicContact CB-CD1 4.24Å; L754-L781 HydrophobicContact CB-CD2 3.9Å; L754-L781 HydrophobicContact CB-CG 4.46Å; L754-V785 HydrophobicContact CD1-CG1 4.23Å; L754-V785 HydrophobicContact CD1-CG2 3.98Å
755	Y	98	Very high	96.1	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.118	C	C	.	.	I	π-helix	trans	-64.2	-41.3	176.3	-168.6	-83.5	0	0	0	112.4	N670 F673 Y751 F752 Y753 M759 R764 A777 M778 L781	N670-Y755 HydrophobicContact CB-CE1 4.3Å; N670-Y755 WeakPolarHBondContact OD1-CE1 3.38Å; N670-Y755 PolarHBondContact OD1-OH 3.16Å; F673-Y755 HydrophobicContact CB-CD1 3.73Å; F673-Y755 HydrophobicContact CB-CE1 4.12Å; F673-Y755 HydrophobicContact CB-CG 4.02Å; F673-Y755 HydrophobicContact CD2-CD1 4.11Å; F673-Y755 HydrophobicContact CD2-CD2 4.18Å; F673-Y755 AromaticContact CD2-CE1 3.76Å; F673-Y755 HydrophobicContact CD2-CE1 3.76Å; F673-Y755 AromaticContact CD2-CE2 3.82Å; F673-Y755 HydrophobicContact CD2-CE2 3.82Å; F673-Y755 HydrophobicContact CD2-CG 4.31Å; F673-Y755 AromaticContact CD2-CZ 3.6Å; F673-Y755 HydrophobicContact CE2-CE2 4.18Å; F673-Y755 HydrophobicContact CG-CD1 4.35Å; F673-Y755 HydrophobicContact CG-CE1 4.42Å; F673-Y755 HydrophobicContact CG-CG 4.45Å; Y751-Y755 VanDerWaalsContact O-CB 3.28Å; Y751-Y755 WeakPolarHBondContact O-CB 3.34Å; Y751-Y755 PolarHBondContact O-N 3.28Å; F752-Y755 PolarHBondContact O-N 3.04Å; Y753-Y755 VanDerWaalsContact C-N 3.31Å; Y753-Y755 PolarHBondContact O-N 3.05Å; Y755-M759 HydrophobicContact CD2-CE 3.44Å; Y755-M759 VanDerWaalsContact CD2-CE 3.44Å; Y755-M759 HydrophobicContact CD2-SD 3.93Å; Y755-M759 HydrophobicContact CE2-CE 3.65Å; Y755-M759 HydrophobicContact CE2-SD 3.87Å; Y755-M759 HydrophobicContact CG-CE 4.27Å; Y755-M759 HydrophobicContact CG-SD 4.4Å; Y755-M759 WeakPolarHBondContact O-CB 3.42Å; Y755-R764 HydrophobicContact CE1-CG 4.06Å; Y755-R764 PolarHBondContact O-NH1 3.47Å; Y755-A777 HydrophobicContact CE2-CB 3.99Å; Y755-M778 HydrophobicContact CD2-CB 4.41Å; Y755-M778 HydrophobicContact CD2-CE 3.54Å; Y755-M778 HydrophobicContact CD2-SD 4.15Å; Y755-M778 HydrophobicContact CE2-CB 4.35Å; Y755-M778 HydrophobicContact CE2-CE 4.33Å; Y755-M778 HydrophobicContact CG-CE 3.82Å; Y755-L781 HydrophobicContact CD2-CD2 4.23Å
756	T	96.7	Very high	95.9	Very high	20 Å²	20	24.8 Å²	24.8	12%	0.123	12%	0.124	C	C	.	.	I	π-helix	trans	-78.8	-46.7	-178.1	-58.8	0	0	0	0	112.9	V492 L674 P675 F752 Y753 R764	V492-T756 HydrophobicContact CG2-CG2 4.49Å; L674-T756 HydrophobicContact CD2-CG2 4.08Å; P675-T756 WeakPolarHBondContact CD-OG1 3.43Å; F752-T756 PolarHBondContact O-N 2.78Å; F752-T756 PolarHBondContact O-OG1 3.27Å; Y753-T756 PolarHBondContact O-N 3.07Å; T756-R764 PolarHBondContact O-NH1 3.15Å; T756-R764 PolarHBondContact O-NH2 3.37Å
757	Y	94.8	Very high	95.7	Very high	108 Å²	108	25 Å²	25	42%	0.424	13%	0.125	S	C	.	.	I	π-helix	trans	-108.5	-23.5	-166.7	-59.1	-62.8	0	0	0	114.7	I489 D490 V492 P675 Y753	I489-Y757 HydrophobicContact CD1-CD2 3.79Å; I489-Y757 HydrophobicContact CD1-CE2 4.39Å; I489-Y757 HydrophobicContact CG1-CD2 4.08Å; I489-Y757 HydrophobicContact CG1-CE2 4.22Å; D490-Y757 VanDerWaalsContact O-CE2 3.24Å; D490-Y757 WeakPolarHBondContact O-CE2 3.44Å; D490-Y757 PolarHBondContact O-OH 2.86Å; V492-Y757 WeakPolarHBondContact CG2-OH 3.38Å; P675-Y757 HydrophobicContact CG-CE2 3.93Å; Y753-Y757 HydrophobicContact CD1-CD2 4.11Å; Y753-Y757 AromaticContact CD1-CE2 3.91Å; Y753-Y757 HydrophobicContact CD1-CE2 3.91Å; Y753-Y757 WeakPolarHBondContact O-CB 3.42Å; Y753-Y757 PolarHBondContact O-N 3.15Å
758	W	92.6	Very high	95.6	Very high	41 Å²	41	26.6 Å²	26.6	16%	0.155	13%	0.134	C	C	.	.	I	π-helix	trans	-105.3	-39.6	-174.3	-173.8	87.2	0	0	0	113.4	Q462 L754 L781 H784 V785	Q462-W758 VanDerWaalsContact NE2-NE1 3.19Å; L754-W758 HydrophobicContact CB-CB 4.28Å; L754-W758 HydrophobicContact CD2-CB 3.83Å; L754-W758 HydrophobicContact CD2-CG 4.07Å; L754-W758 CarbonylContact O-C 3.11Å; L754-W758 WeakPolarHBondContact O-CA 3.48Å; L754-W758 WeakPolarHBondContact O-CB 3.14Å; L754-W758 PolarHBondContact O-N 2.65Å; W758-L781 HydrophobicContact CE3-CD1 3.69Å; W758-L781 HydrophobicContact CZ3-CD1 3.71Å; W758-H784 AromaticContact CH2-CD2 3.57Å; W758-H784 AromaticContact CH2-NE2 3.67Å; W758-H784 AromaticContact CZ3-CD2 3.95Å; W758-V785 HydrophobicContact CH2-CG2 4.43Å; W758-V785 HydrophobicContact CZ3-CG2 4.2Å
759	M	93.8	Very high	95.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	17%	0.17	C	C	.	.	S	Bend	trans	-59.3	137.8	177.4	179.5	-175.7	-78.1	0	0	110.3	L754 Y755 Q761 I763 R764 A777 L781	L754-M759 PolarHBondContact O-N 3.48Å; Y755-M759 HydrophobicContact CD2-CE 3.44Å; Y755-M759 VanDerWaalsContact CD2-CE 3.44Å; Y755-M759 HydrophobicContact CD2-SD 3.93Å; Y755-M759 HydrophobicContact CE2-CE 3.65Å; Y755-M759 HydrophobicContact CE2-SD 3.87Å; Y755-M759 HydrophobicContact CG-CE 4.27Å; Y755-M759 HydrophobicContact CG-SD 4.4Å; Y755-M759 WeakPolarHBondContact O-CB 3.42Å; M759-Q761 PolarHBondContact O-N 3.08Å; M759-I763 HydrophobicContact CE-CG2 4.39Å; M759-I763 HydrophobicContact CG-CB 4.01Å; M759-I763 HydrophobicContact CG-CD1 3.91Å; M759-I763 HydrophobicContact CG-CG1 4.45Å; M759-I763 HydrophobicContact CG-CG2 4.2Å; M759-I763 HydrophobicContact SD-CB 3.86Å; M759-I763 HydrophobicContact SD-CD1 4.38Å; M759-I763 HydrophobicContact SD-CG2 3.42Å; M759-I763 WeakPolarHBondContact SD-CG2 3.34Å; M759-R764 PolarHBondContact O-NH1 2.95Å; M759-R764 HydrophobicContact SD-CG 4.38Å; M759-A777 HydrophobicContact CE-CB 4.32Å; M759-A777 WeakPolarHBondContact CE-O 3.49Å; M759-L781 HydrophobicContact CE-CB 3.61Å; M759-L781 HydrophobicContact CE-CD1 4.28Å; M759-L781 HydrophobicContact CE-CD2 3.97Å; M759-L781 HydrophobicContact CE-CG 4.16Å
760	P	91.9	Very high	95.1	Very high	33 Å²	33	34.5 Å²	34.5	21%	0.214	17%	0.173	C	C	.	.			trans	-52.8	132.7	175.4	-27.8	34.6	0	0	0	112.5	A762 I763 I828	P760-A762 PolarHBondContact O-N 3.09Å; P760-I763 HydrophobicContact CB-CG1 4.44Å; P760-I763 HydrophobicContact CG-CD1 4.37Å; P760-I763 WeakPolarHBondContact O-CB 3.09Å; P760-I763 PolarHBondContact O-N 3.49Å; P760-I828 HydrophobicContact CB-CG2 4.17Å; P760-I828 HydrophobicContact CG-CG2 4.06Å
761	Q	92.6	Very high	94.9	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	19%	0.187	S	C	.	.	H	α-helix	trans	-55.9	-38.3	-179.1	-178.7	62.3	44.2	0	0	112.1	M759 I763 R764 D765	M759-Q761 PolarHBondContact O-N 3.08Å; Q761-I763 PolarHBondContact O-N 3.34Å; Q761-R764 WeakPolarHBondContact O-CA 3.49Å; Q761-R764 PolarHBondContact O-N 3.06Å; Q761-D765 PolarHBondContact NE2-OD1 3.21Å; Q761-D765 VanDerWaalsContact O-CG 3.26Å; Q761-D765 PolarHBondContact O-N 3.3Å
762	A	92.6	Very high	94.6	Very high	48 Å²	48	38.2 Å²	38.2	40%	0.397	19%	0.191	S	C	.	.	H	α-helix	trans	-51	-34.1	175.9	0	0	0	0	0	113.6	P760 D765 I766 I828	P760-A762 PolarHBondContact O-N 3.09Å; A762-D765 PolarHBondContact O-N 3.36Å; A762-I766 WeakPolarHBondContact O-CD1 3.09Å; A762-I766 VanDerWaalsContact O-CG1 3.22Å; A762-I766 WeakPolarHBondContact O-CG1 3.49Å; A762-I766 PolarHBondContact O-N 3.26Å; A762-I828 HydrophobicContact CB-CD1 4.14Å
763	I	95.1	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-45.9	176.8	-65.1	180	0	0	0	111	M759 P760 Q761 D765 I766 V767 A777 L825 I828 Y829	M759-I763 HydrophobicContact CE-CG2 4.39Å; M759-I763 HydrophobicContact CG-CB 4.01Å; M759-I763 HydrophobicContact CG-CD1 3.91Å; M759-I763 HydrophobicContact CG-CG1 4.45Å; M759-I763 HydrophobicContact CG-CG2 4.2Å; M759-I763 HydrophobicContact SD-CB 3.86Å; M759-I763 HydrophobicContact SD-CD1 4.38Å; M759-I763 HydrophobicContact SD-CG2 3.42Å; M759-I763 WeakPolarHBondContact SD-CG2 3.34Å; P760-I763 HydrophobicContact CB-CG1 4.44Å; P760-I763 HydrophobicContact CG-CD1 4.37Å; P760-I763 WeakPolarHBondContact O-CB 3.09Å; P760-I763 PolarHBondContact O-N 3.49Å; Q761-I763 PolarHBondContact O-N 3.34Å; I763-D765 VanDerWaalsContact C-N 3.29Å; I763-D765 PolarHBondContact O-N 3.24Å; I763-I766 PolarHBondContact O-N 3.05Å; I763-V767 WeakPolarHBondContact O-CG2 3.49Å; I763-V767 PolarHBondContact O-N 3.44Å; I763-V767 VanDerWaalsContact O-N 3.12Å; I763-A777 HydrophobicContact CG2-CB 3.86Å; I763-L825 HydrophobicContact CB-CD2 4.14Å; I763-L825 HydrophobicContact CD1-CD2 3.87Å; I763-L825 HydrophobicContact CG1-CD2 3.84Å; I763-L825 HydrophobicContact CG2-CD2 3.34Å; I763-I828 HydrophobicContact CD1-CG2 3.94Å; I763-I828 HydrophobicContact CG1-CB 4.42Å; I763-I828 HydrophobicContact CG1-CD1 3.65Å; I763-I828 HydrophobicContact CG1-CG2 3.98Å; I763-Y829 HydrophobicContact CD1-CD2 4.25Å; I763-Y829 HydrophobicContact CD1-CE2 3.6Å
764	R	95.8	Very high	94.4	Very high	30 Å²	30	39 Å²	39	11%	0.113	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-34.9	177.3	-67.5	-170.8	-66.6	-79.7	-2.1	111.5	N670 Y755 T756 M759 Q761 V767 D768	N670-R764 PolarHBondContact ND2-O 2.96Å; Y755-R764 HydrophobicContact CE1-CG 4.06Å; Y755-R764 PolarHBondContact O-NH1 3.47Å; T756-R764 PolarHBondContact O-NH1 3.15Å; T756-R764 PolarHBondContact O-NH2 3.37Å; M759-R764 PolarHBondContact O-NH1 2.95Å; M759-R764 HydrophobicContact SD-CG 4.38Å; Q761-R764 WeakPolarHBondContact O-CA 3.49Å; Q761-R764 PolarHBondContact O-N 3.06Å; R764-V767 WeakPolarHBondContact O-CB 3.46Å; R764-V767 PolarHBondContact O-N 3.28Å; R764-D768 PolarHBondContact O-N 2.84Å
765	D	95.4	Very high	94.3	Very high	78 Å²	78	39 Å²	39	42%	0.417	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-42.1	176.1	-60.7	-24.3	0	0	0	111.4	Q761 A762 I763 V767 D768 E769	Q761-D765 PolarHBondContact NE2-OD1 3.21Å; Q761-D765 VanDerWaalsContact O-CG 3.26Å; Q761-D765 PolarHBondContact O-N 3.3Å; A762-D765 PolarHBondContact O-N 3.36Å; I763-D765 VanDerWaalsContact C-N 3.29Å; I763-D765 PolarHBondContact O-N 3.24Å; D765-V767 VanDerWaalsContact C-N 3.34Å; D765-V767 PolarHBondContact O-N 2.93Å; D765-D768 PolarHBondContact O-N 3.44Å; D765-E769 WeakPolarHBondContact O-CB 3.32Å; D765-E769 PolarHBondContact O-N 3.46Å
766	I	94	Very high	94.3	Very high	26 Å²	26	39 Å²	39	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-39.5	175	-67.1	153.6	0	0	0	111.3	A762 I763 D768 E769 V770 V824 I828	A762-I766 WeakPolarHBondContact O-CD1 3.09Å; A762-I766 VanDerWaalsContact O-CG1 3.22Å; A762-I766 WeakPolarHBondContact O-CG1 3.49Å; A762-I766 PolarHBondContact O-N 3.26Å; I763-I766 PolarHBondContact O-N 3.05Å; I766-D768 VanDerWaalsContact C-N 3.29Å; I766-D768 PolarHBondContact O-N 3.32Å; I766-E769 PolarHBondContact O-N 2.87Å; I766-V770 HydrophobicContact CG2-CG2 4.04Å; I766-V770 VanDerWaalsContact O-CB 3.29Å; I766-V770 WeakPolarHBondContact O-CB 3.39Å; I766-V770 VanDerWaalsContact O-CG2 3.29Å; I766-V770 WeakPolarHBondContact O-CG2 3.34Å; I766-V770 PolarHBondContact O-N 2.86Å; I766-V824 HydrophobicContact CD1-CB 4.04Å; I766-V824 HydrophobicContact CD1-CG1 3.18Å; I766-V824 HydrophobicContact CG1-CG1 4.28Å; I766-I828 HydrophobicContact CD1-CD1 3.75Å
767	V	95.8	Very high	94.3	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-41.9	175.4	168.6	0	0	0	0	110.7	L669 I763 R764 D765 M771 N772 E774 A777	L669-V767 HydrophobicContact CB-CG1 4.17Å; I763-V767 WeakPolarHBondContact O-CG2 3.49Å; I763-V767 PolarHBondContact O-N 3.44Å; I763-V767 VanDerWaalsContact O-N 3.12Å; R764-V767 WeakPolarHBondContact O-CB 3.46Å; R764-V767 PolarHBondContact O-N 3.28Å; D765-V767 VanDerWaalsContact C-N 3.34Å; D765-V767 PolarHBondContact O-N 2.93Å; V767-M771 WeakPolarHBondContact O-CA 3.18Å; V767-M771 PolarHBondContact O-N 2.99Å; V767-N772 PolarHBondContact O-N 2.99Å; V767-E774 HydrophobicContact CG1-CB 3.67Å; V767-A777 HydrophobicContact CG2-CB 4.29Å
768	D	95	Very high	94.5	Very high	34 Å²	34	33 Å²	33	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-42	175	-84.1	0.2	0	0	0	112.5	K666 S668 N670 R764 D765 I766 M771	K666-D768 IonicContact NZ-OD2 3.1Å; K666-D768 PolarHBondContact NZ-OD2 2.92Å; S668-D768 VanDerWaalsContact CB-OD1 3.32Å; S668-D768 WeakPolarHBondContact CB-OD1 3.42Å; S668-D768 PolarHBondContact OG-OD1 2.88Å; N670-D768 PolarHBondContact ND2-OD1 3.46Å; R764-D768 PolarHBondContact O-N 2.84Å; D765-D768 PolarHBondContact O-N 3.44Å; I766-D768 VanDerWaalsContact C-N 3.29Å; I766-D768 PolarHBondContact O-N 3.32Å; D768-M771 WeakPolarHBondContact O-CG 3.29Å
769	E	94.2	Very high	94.8	Very high	162 Å²	162	31.2 Å²	31.2	76%	0.757	16%	0.163	S	C	*	.	H	α-helix	trans	-63.5	-45.9	178.7	-174.9	-167.6	153.7	0	0	111.5	D765 I766	D765-E769 WeakPolarHBondContact O-CB 3.32Å; D765-E769 PolarHBondContact O-N 3.46Å; I766-E769 PolarHBondContact O-N 2.87Å
770	V	92	Very high	95	Very high	19 Å²	19	31 Å²	31	12%	0.115	16%	0.163	C	C	.	.	H	α-helix	trans	-82.2	-22.7	-176.3	178.8	0	0	0	0	111.7	I766 N772 K817	I766-V770 HydrophobicContact CG2-CG2 4.04Å; I766-V770 VanDerWaalsContact O-CB 3.29Å; I766-V770 WeakPolarHBondContact O-CB 3.39Å; I766-V770 VanDerWaalsContact O-CG2 3.29Å; I766-V770 WeakPolarHBondContact O-CG2 3.34Å; I766-V770 PolarHBondContact O-N 2.86Å; V770-N772 VanDerWaalsContact C-N 3.26Å; V770-N772 HydrophobicContact CG1-CB 3.81Å; V770-N772 PolarHBondContact O-N 3.02Å; V770-K817 HydrophobicContact CG1-CB 3.63Å; V770-K817 HydrophobicContact CG1-CD 3.72Å; V770-K817 HydrophobicContact CG1-CG 3.66Å; V770-K817 PolarHBondContact O-NZ 2.88Å
771	M	91.7	Very high	95.3	Very high	72 Å²	72	29.5 Å²	29.5	36%	0.355	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	48.9	-167.3	-68.6	-66.7	-75.7	0	0	111.1	L669 V767 D768	L669-M771 VanDerWaalsContact CD1-C 3.4Å; L669-M771 WeakPolarHBondContact CD1-O 3.49Å; V767-M771 WeakPolarHBondContact O-CA 3.18Å; V767-M771 PolarHBondContact O-N 2.99Å; D768-M771 WeakPolarHBondContact O-CG 3.29Å
772	N	92.2	Very high	95.6	Very high	16 Å²	16	24.8 Å²	24.8	9%	0.086	13%	0.131	C	C	.	.			trans	-163.3	-178.9	177.7	-149.4	-73.1	0	0	0	109.9	V767 V770 E774 H814 R818	V767-N772 PolarHBondContact O-N 2.99Å; V770-N772 VanDerWaalsContact C-N 3.26Å; V770-N772 HydrophobicContact CG1-CB 3.81Å; V770-N772 PolarHBondContact O-N 3.02Å; N772-E774 PolarHBondContact O-N 3.42Å; N772-H814 PolarHBondContact ND2-CD2 2.74Å; N772-H814 PolarHBondContact ND2-NE2 2.81Å; N772-R818 PolarHBondContact OD1-NE 2.94Å
773	C	94.6	Very high	95.8	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	11%	0.113	C	C	.	.			trans	69.1	10.7	167.7	-46.8	0	0	0	0	116.3	D775 V776 A777 C821	C773-D775 PolarHBondContact O-N 2.98Å; C773-V776 HydrophobicContact CB-CB 4.37Å; C773-V776 PolarHBondContact O-N 2.96Å; C773-A777 WeakPolarHBondContact O-CB 3.44Å; C773-A777 PolarHBondContact O-N 3.34Å; C773-C821 HydrophobicContact CB-CB 3.41Å; C773-C821 VanDerWaalsContact CB-CB 3.41Å; C773-C821 WeakPolarHBondContact CB-SG 3.43Å; C773-C821 WeakPolarHBondContact SG-CB 2.98Å; C773-C821 CovalentContact SG-SG 2.02Å; C773-C821 PolarHBondContact SG-SG 3.18Å
774	E	96.1	Very high	95.8	Very high	16 Å²	16	23.3 Å²	23.3	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-36.9	173.7	82.7	-68.1	174.8	0	0	110.7	L669 R672 F673 V767 N772 A777 M778	L669-E774 HydrophobicContact CB-CB 4.08Å; L669-E774 HydrophobicContact CB-CG 4.02Å; L669-E774 WeakPolarHBondContact CD1-OE2 3.36Å; R672-E774 IonicContact NH1-OE1 3.92Å; R672-E774 PolarHBondContact NH1-OE1 3.3Å; F673-E774 HydrophobicContact CE2-CB 3.82Å; F673-E774 HydrophobicContact CE2-CG 3.65Å; F673-E774 WeakPolarHBondContact CE2-O 3.46Å; F673-E774 HydrophobicContact CZ-CG 4.2Å; V767-E774 HydrophobicContact CG1-CB 3.67Å; N772-E774 PolarHBondContact O-N 3.42Å; E774-A777 PolarHBondContact O-N 3.5Å; E774-M778 PolarHBondContact O-N 3.4Å
775	D	96	Very high	95.8	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.032	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-44.2	175.1	59.1	-5.7	0	0	0	112.4	L741 T742 C773 M778 N779 R818	L741-D775 HydrophobicContact CD2-CB 4.49Å; L741-D775 VanDerWaalsContact CD2-OD2 3.27Å; L741-D775 WeakPolarHBondContact CD2-OD2 3.38Å; T742-D775 HydrophobicContact CG2-CB 4.33Å; T742-D775 WeakPolarHBondContact OG1-CA 3.28Å; T742-D775 VanDerWaalsContact OG1-CB 3.25Å; T742-D775 WeakPolarHBondContact OG1-CB 3.33Å; C773-D775 PolarHBondContact O-N 2.98Å; D775-M778 PolarHBondContact O-N 2.96Å; D775-N779 PolarHBondContact O-N 3.11Å; D775-N779 VanDerWaalsContact O-N 3.08Å; D775-N779 PolarHBondContact O-ND2 2.89Å; D775-R818 IonicContact OD1-CZ 2.7Å; D775-R818 IonicContact OD1-NH1 2.88Å; D775-R818 IonicContact OD1-NH2 2.76Å; D775-R818 IonicContact OD2-CZ 2.66Å; D775-R818 IonicContact OD2-NH1 3.66Å; D775-R818 PolarHBondContact OD2-NH1 3.27Å; D775-R818 IonicContact OD2-NH2 3.94Å; D775-R818 PolarHBondContact OD2-NH2 3.05Å
776	V	96.8	Very high	95.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175.1	-179.2	0	0	0	0	110.1	Y729 M739 C773 M778 N779 F780 L822 L825	Y729-V776 HydrophobicContact CD2-CG2 4.31Å; Y729-V776 HydrophobicContact CE2-CG2 4.36Å; M739-V776 HydrophobicContact SD-CG1 4.14Å; M739-V776 HydrophobicContact SD-CG2 4.25Å; C773-V776 HydrophobicContact CB-CB 4.37Å; C773-V776 PolarHBondContact O-N 2.96Å; V776-M778 VanDerWaalsContact C-N 3.33Å; V776-M778 PolarHBondContact O-N 3.43Å; V776-N779 PolarHBondContact O-N 2.98Å; V776-F780 HydrophobicContact CG1-CD2 3.92Å; V776-F780 HydrophobicContact CG1-CE2 3.87Å; V776-F780 WeakPolarHBondContact O-CD2 3.2Å; V776-F780 PolarHBondContact O-N 2.92Å; V776-L822 HydrophobicContact CG1-CD2 3.58Å; V776-L822 HydrophobicContact CG1-CG 4.35Å; V776-L825 HydrophobicContact CB-CD1 4.37Å; V776-L825 HydrophobicContact CG1-CD1 3.66Å
777	A	98	Very high	95.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-41.9	178.1	0	0	0	0	0	112.1	Y755 M759 I763 V767 C773 E774 F780 L781 L825	Y755-A777 HydrophobicContact CE2-CB 3.99Å; M759-A777 HydrophobicContact CE-CB 4.32Å; M759-A777 WeakPolarHBondContact CE-O 3.49Å; I763-A777 HydrophobicContact CG2-CB 3.86Å; V767-A777 HydrophobicContact CG2-CB 4.29Å; C773-A777 WeakPolarHBondContact O-CB 3.44Å; C773-A777 PolarHBondContact O-N 3.34Å; E774-A777 PolarHBondContact O-N 3.5Å; A777-F780 WeakPolarHBondContact O-CB 3.23Å; A777-F780 PolarHBondContact O-N 3.16Å; A777-L781 PolarHBondContact O-N 3.07Å; A777-L825 HydrophobicContact CB-CD1 4.47Å; A777-L825 HydrophobicContact CB-CD2 4.31Å
778	M	98.5	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.9	-41.3	175.3	-176.9	59.3	78.9	0	0	112.2	F673 I712 T742 I747 F752 Y755 E774 D775 V776 L781 V782	F673-M778 HydrophobicContact CB-CE 3.88Å; F673-M778 HydrophobicContact CD1-CE 3.43Å; F673-M778 VanDerWaalsContact CD1-CE 3.43Å; F673-M778 HydrophobicContact CD2-CE 3.96Å; F673-M778 HydrophobicContact CE1-CE 3.86Å; F673-M778 HydrophobicContact CE1-CG 4.4Å; F673-M778 HydrophobicContact CE2-CB 4.21Å; F673-M778 HydrophobicContact CE2-CE 4.31Å; F673-M778 HydrophobicContact CG-CE 3.49Å; F673-M778 VanDerWaalsContact CG-CE 3.49Å; F673-M778 HydrophobicContact CZ-CB 4.05Å; F673-M778 HydrophobicContact CZ-CE 4.27Å; F673-M778 HydrophobicContact CZ-CG 4.36Å; I712-M778 HydrophobicContact CD1-CG 3.94Å; T742-M778 HydrophobicContact CG2-CB 4.06Å; T742-M778 HydrophobicContact CG2-CG 4Å; I747-M778 HydrophobicContact CD1-CG 4.21Å; F752-M778 HydrophobicContact CD2-CE 4.27Å; F752-M778 HydrophobicContact CE2-CE 4.44Å; Y755-M778 HydrophobicContact CD2-CB 4.41Å; Y755-M778 HydrophobicContact CD2-CE 3.54Å; Y755-M778 HydrophobicContact CD2-SD 4.15Å; Y755-M778 HydrophobicContact CE2-CB 4.35Å; Y755-M778 HydrophobicContact CE2-CE 4.33Å; Y755-M778 HydrophobicContact CG-CE 3.82Å; E774-M778 PolarHBondContact O-N 3.4Å; D775-M778 PolarHBondContact O-N 2.96Å; V776-M778 VanDerWaalsContact C-N 3.33Å; V776-M778 PolarHBondContact O-N 3.43Å; M778-L781 PolarHBondContact O-N 3.08Å; M778-L781 HydrophobicContact SD-CD2 4.14Å; M778-V782 WeakPolarHBondContact O-CG2 3.25Å; M778-V782 PolarHBondContact O-N 3.23Å; M778-V782 HydrophobicContact SD-CG2 4.13Å
779	N	98.5	Very high	96.2	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-42	174.7	-81.7	-92.7	0	0	0	111.9	I712 M739 V740 D775 V776 A783 L834	I712-N779 HydrophobicContact CD1-CB 4.42Å; M739-N779 VanDerWaalsContact CA-OD1 3.3Å; M739-N779 WeakPolarHBondContact CA-OD1 3.32Å; M739-N779 HydrophobicContact CB-CB 4.38Å; M739-N779 HydrophobicContact CG-CB 3.88Å; V740-N779 PolarHBondContact N-OD1 3.2Å; V740-N779 PolarHBondContact O-ND2 3.13Å; V740-N779 PolarHBondContact O-OD1 3.35Å; D775-N779 PolarHBondContact O-N 3.11Å; D775-N779 VanDerWaalsContact O-N 3.08Å; D775-N779 PolarHBondContact O-ND2 2.89Å; V776-N779 PolarHBondContact O-N 2.98Å; N779-A783 WeakPolarHBondContact O-CB 3.48Å; N779-A783 PolarHBondContact O-N 3.12Å; N779-L834 HydrophobicContact CB-CD2 3.95Å
780	F	98.1	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.2	-47.8	174.1	-94.6	-117	0	0	0	111.5	V776 A777 A783 H784 L822 L825 M826 Y829 P833 L834	V776-F780 HydrophobicContact CG1-CD2 3.92Å; V776-F780 HydrophobicContact CG1-CE2 3.87Å; V776-F780 WeakPolarHBondContact O-CD2 3.2Å; V776-F780 PolarHBondContact O-N 2.92Å; A777-F780 WeakPolarHBondContact O-CB 3.23Å; A777-F780 PolarHBondContact O-N 3.16Å; F780-A783 PolarHBondContact O-N 2.99Å; F780-H784 WeakPolarHBondContact O-CB 3.49Å; F780-H784 PolarHBondContact O-N 2.79Å; F780-L822 HydrophobicContact CE2-CD2 3.36Å; F780-L822 HydrophobicContact CZ-CD2 3.69Å; F780-L825 HydrophobicContact CD1-CB 3.74Å; F780-L825 HydrophobicContact CD1-CD1 4.38Å; F780-L825 HydrophobicContact CD2-CD1 4.01Å; F780-L825 HydrophobicContact CE1-CB 3.63Å; F780-L825 HydrophobicContact CE2-CD1 4.22Å; F780-L825 HydrophobicContact CG-CB 4.3Å; F780-L825 HydrophobicContact CG-CD1 4.1Å; F780-L825 HydrophobicContact CZ-CB 4.11Å; F780-M826 HydrophobicContact CE1-CG 3.78Å; F780-M826 HydrophobicContact CZ-CG 3.98Å; F780-Y829 HydrophobicContact CB-CE2 3.91Å; F780-Y829 AromaticContact CD1-CD2 3.74Å; F780-Y829 HydrophobicContact CD1-CD2 3.74Å; F780-Y829 AromaticContact CD1-CE2 3.95Å; F780-Y829 HydrophobicContact CD1-CE2 3.95Å; F780-Y829 HydrophobicContact CG-CE2 4.42Å; F780-P833 HydrophobicContact CD1-CG 3.8Å; F780-P833 HydrophobicContact CE1-CG 4.3Å; F780-L834 HydrophobicContact CD2-CD1 3.94Å; F780-L834 HydrophobicContact CD2-CD2 3.78Å; F780-L834 HydrophobicContact CD2-CG 3.74Å; F780-L834 HydrophobicContact CE2-CD1 3.38Å; F780-L834 HydrophobicContact CE2-CD2 4.09Å; F780-L834 HydrophobicContact CE2-CG 3.54Å; F780-L834 HydrophobicContact CZ-CD1 4.16Å; F780-L834 HydrophobicContact CZ-CG 4.18Å
781	L	97.9	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.3	-54.2	179.3	177.1	66.9	0	0	0	111.9	L754 Y755 W758 M759 A777 M778 A783 H784 V785	L754-L781 HydrophobicContact CB-CD1 4.24Å; L754-L781 HydrophobicContact CB-CD2 3.9Å; L754-L781 HydrophobicContact CB-CG 4.46Å; Y755-L781 HydrophobicContact CD2-CD2 4.23Å; W758-L781 HydrophobicContact CE3-CD1 3.69Å; W758-L781 HydrophobicContact CZ3-CD1 3.71Å; M759-L781 HydrophobicContact CE-CB 3.61Å; M759-L781 HydrophobicContact CE-CD1 4.28Å; M759-L781 HydrophobicContact CE-CD2 3.97Å; M759-L781 HydrophobicContact CE-CG 4.16Å; A777-L781 PolarHBondContact O-N 3.07Å; M778-L781 PolarHBondContact O-N 3.08Å; M778-L781 HydrophobicContact SD-CD2 4.14Å; L781-A783 VanDerWaalsContact C-N 3.35Å; L781-A783 PolarHBondContact O-N 3.45Å; L781-H784 PolarHBondContact O-N 3.09Å; L781-V785 HydrophobicContact CD1-CG2 4.19Å; L781-V785 WeakPolarHBondContact O-CG2 3.39Å; L781-V785 PolarHBondContact O-N 3.25Å
782	V	98.2	Very high	96.9	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.024	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-41.2	-176.5	177.9	0	0	0	0	110.8	I712 Y751 M778 T786	I712-V782 HydrophobicContact CD1-CB 4.18Å; I712-V782 HydrophobicContact CD1-CG2 3.95Å; I712-V782 HydrophobicContact CG1-CB 4.18Å; I712-V782 HydrophobicContact CG1-CG1 4.24Å; I712-V782 HydrophobicContact CG1-CG2 3.91Å; Y751-V782 HydrophobicContact CD1-CG2 3.85Å; Y751-V782 HydrophobicContact CD2-CG2 3.94Å; Y751-V782 HydrophobicContact CE1-CG1 4.31Å; Y751-V782 HydrophobicContact CE1-CG2 4.22Å; Y751-V782 HydrophobicContact CE2-CG1 4.19Å; Y751-V782 HydrophobicContact CE2-CG2 4.27Å; Y751-V782 HydrophobicContact CG-CG2 3.71Å; M778-V782 WeakPolarHBondContact O-CG2 3.25Å; M778-V782 PolarHBondContact O-N 3.23Å; M778-V782 HydrophobicContact SD-CG2 4.13Å; V782-T786 HydrophobicContact CG1-CG2 4.41Å; V782-T786 WeakPolarHBondContact O-CB 3.44Å; V782-T786 PolarHBondContact O-N 2.82Å; V782-T786 PolarHBondContact O-OG1 3.03Å
783	A	98	Very high	97.1	Very high	3 Å²	3	12.6 Å²	12.6	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-68.4	-33.6	177	0	0	0	0	0	112.8	N779 F780 L781 R787 P833 L834	N779-A783 WeakPolarHBondContact O-CB 3.48Å; N779-A783 PolarHBondContact O-N 3.12Å; F780-A783 PolarHBondContact O-N 2.99Å; L781-A783 VanDerWaalsContact C-N 3.35Å; L781-A783 PolarHBondContact O-N 3.45Å; A783-R787 VanDerWaalsContact O-CA 3.26Å; A783-R787 WeakPolarHBondContact O-CA 3.4Å; A783-R787 PolarHBondContact O-N 3.47Å; A783-P833 HydrophobicContact CB-CB 4.45Å; A783-P833 WeakPolarHBondContact CB-O 3.41Å; A783-L834 HydrophobicContact CB-CD2 4.26Å
784	H	95.9	Very high	96.8	Very high	13 Å²	13	12.8 Å²	12.8	6%	0.06	7%	0.066	C	C	.	.	H	α-helix	trans	-65.8	-48.5	175	178.3	70.3	0	0	0	111.9	R454 W758 F780 L781 R787 Y829 Y831 P833	R454-H784 PolarHBondContact NH1-O 2.93Å; W758-H784 AromaticContact CH2-CD2 3.57Å; W758-H784 AromaticContact CH2-NE2 3.67Å; W758-H784 AromaticContact CZ3-CD2 3.95Å; F780-H784 WeakPolarHBondContact O-CB 3.49Å; F780-H784 PolarHBondContact O-N 2.79Å; L781-H784 PolarHBondContact O-N 3.09Å; H784-R787 WeakPolarHBondContact O-CD 3.31Å; H784-Y829 HydrophobicContact CB-CD1 4.31Å; H784-Y829 HydrophobicContact CB-CE1 3.86Å; H784-Y829 AromaticContact CD2-CE1 3.61Å; H784-Y829 AromaticContact CE1-CD1 3.93Å; H784-Y829 AromaticContact CG-CD1 3.76Å; H784-Y829 AromaticContact CG-CE1 3.51Å; H784-Y829 AromaticContact ND1-CD1 3.67Å; H784-Y829 AromaticContact ND1-CE1 3.93Å; H784-Y831 AromaticContact CE1-CE1 3.85Å; H784-Y831 AromaticContact ND1-CE1 3.45Å; H784-Y831 WeakPolarHBondContact ND1-CE1 3.41Å; H784-Y831 AromaticContact ND1-CZ 3.51Å; H784-Y831 PolarHBondContact ND1-OH 3.28Å; H784-P833 HydrophobicContact CB-CB 3.74Å; H784-P833 HydrophobicContact CB-CG 4.07Å
785	V	94.8	Very high	96.3	Very high	26 Å²	26	16.1 Å²	16.1	16%	0.158	9%	0.091	C	C	.	.	H	α-helix	trans	-71.3	-44.3	-177.1	174	0	0	0	0	111.5	F564 L754 W758 L781	F564-V785 HydrophobicContact CZ-CG1 4.28Å; L754-V785 HydrophobicContact CD1-CG1 4.23Å; L754-V785 HydrophobicContact CD1-CG2 3.98Å; W758-V785 HydrophobicContact CH2-CG2 4.43Å; W758-V785 HydrophobicContact CZ3-CG2 4.2Å; L781-V785 HydrophobicContact CD1-CG2 4.19Å; L781-V785 WeakPolarHBondContact O-CG2 3.39Å; L781-V785 PolarHBondContact O-N 3.25Å
786	T	96.1	Very high	95.6	Very high	17 Å²	17	18.9 Å²	18.9	10%	0.104	10%	0.101	C	C	.	.	H	α-helix	trans	-96.8	-18.2	-171.1	66	0	0	0	0	114.9	F564 R710 Y751 V782 L788	F564-T786 HydrophobicContact CE1-CG2 4.27Å; R710-T786 HydrophobicContact CB-CG2 4.39Å; R710-T786 WeakPolarHBondContact O-CG2 3.21Å; Y751-T786 HydrophobicContact CE1-CG2 4.26Å; Y751-T786 WeakPolarHBondContact OH-CG2 3.19Å; V782-T786 HydrophobicContact CG1-CG2 4.41Å; V782-T786 WeakPolarHBondContact O-CB 3.44Å; V782-T786 PolarHBondContact O-N 2.82Å; V782-T786 PolarHBondContact O-OG1 3.03Å; T786-L788 PolarHBondContact O-N 3.05Å; T786-L788 PolarHBondContact OG1-N 3.17Å
787	R	96.4	Very high	94.7	Very high	66 Å²	66	21.2 Å²	21.2	25%	0.249	11%	0.11	C	C	.	.			trans	56.3	33.1	-171.3	-47.1	-57.7	-71.9	139	1.7	112.5	E451 A783 H784 Y831 P833 L835	E451-R787 IonicContact OE1-CZ 3.87Å; E451-R787 IonicContact OE1-NE 3.32Å; E451-R787 PolarHBondContact OE1-NE 3.4Å; E451-R787 IonicContact OE1-NH2 3.83Å; A783-R787 VanDerWaalsContact O-CA 3.26Å; A783-R787 WeakPolarHBondContact O-CA 3.4Å; A783-R787 PolarHBondContact O-N 3.47Å; H784-R787 WeakPolarHBondContact O-CD 3.31Å; R787-Y831 PolarHBondContact NH1-OH 3Å; R787-P833 PolarHBondContact NH1-O 3.45Å; R787-L835 VanDerWaalsContact C-CD1 3.47Å; R787-L835 WeakPolarHBondContact O-CD1 3.25Å
788	L	98	Very high	93.7	Very high	58 Å²	58	25.8 Å²	25.8	30%	0.304	14%	0.138	S	C	.	.			trans	-122	144.9	176.9	-64.4	173.2	0	0	0	111	R710 R711 T786	R710-L788 HydrophobicContact CB-CD1 3.98Å; R711-L788 HydrophobicContact CG-CB 3.95Å; R711-L788 HydrophobicContact CG-CD1 4.06Å; T786-L788 PolarHBondContact O-N 3.05Å; T786-L788 PolarHBondContact OG1-N 3.17Å
789	P	98.3	Very high	92.7	Very high	22 Å²	22	28 Å²	28	14%	0.143	15%	0.148	C	C	.	.			trans	-71.3	159.6	167.3	32.5	-35.6	0	0	0	110.6	R711 L835 T837	R711-P789 WeakPolarHBondContact CD-O 3.45Å; R711-P789 WeakPolarHBondContact CG-O 3.27Å; P789-L835 HydrophobicContact CB-CB 4.15Å; P789-L835 WeakPolarHBondContact CB-O 3.49Å; P789-T837 HydrophobicContact CB-CG2 3.83Å; P789-T837 HydrophobicContact CG-CG2 4.22Å
790	P	98.2	Very high	91.4	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.058	18%	0.179	C	C	.	.			trans	-66.7	166.9	171.3	32.8	-37.7	0	0	0	111.3	I712 L737 S738 V740	I712-P790 HydrophobicContact CB-CB 4.27Å; I712-P790 WeakPolarHBondContact O-CA 3.17Å; I712-P790 WeakPolarHBondContact O-CB 3.39Å; L737-P790 HydrophobicContact CD1-CG 4.25Å; S738-P790 WeakPolarHBondContact O-CD 3.28Å; V740-P790 HydrophobicContact CB-CB 3.95Å; V740-P790 HydrophobicContact CB-CG 4.41Å; V740-P790 HydrophobicContact CG2-CB 3.73Å; V740-P790 HydrophobicContact CG2-CG 4.01Å
791	L	98.2	Very high	90.2	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.8	175.8	-179.5	63.8	0	0	0	110.5	I712 V713 G714 A841	I712-L791 PolarHBondContact O-N 2.77Å; V713-L791 WeakPolarHBondContact CA-O 3.31Å; V713-L791 HydrophobicContact CG1-CB 4.4Å; V713-L791 HydrophobicContact CG1-CD2 4.21Å; V713-L791 HydrophobicContact CG1-CG 4.41Å; V713-L791 HydrophobicContact CG2-CB 4.04Å; V713-L791 HydrophobicContact CG2-CD2 4.3Å; G714-L791 PolarHBondContact N-O 2.83Å; G714-L791 VanDerWaalsContact N-O 3.12Å; L791-A841 HydrophobicContact CD1-CB 4.27Å; L791-A841 HydrophobicContact CD2-CB 4.29Å; L791-A841 HydrophobicContact CG-CB 4.4Å
792	K	97.1	Very high	89	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.7	172.4	179.5	169.6	170.6	32.2	0	110.8	G714 F715 L737 V740 T794 R796 W797 R840 A841	G714-K792 WeakPolarHBondContact O-CA 3.42Å; F715-K792 PolarHBondContact O-NZ 3.42Å; L737-K792 HydrophobicContact CD1-CB 4.01Å; L737-K792 HydrophobicContact CD2-CB 3.98Å; L737-K792 HydrophobicContact CD2-CD 4.14Å; V740-K792 HydrophobicContact CG2-CB 4.49Å; K792-T794 WeakPolarHBondContact CE-O 3.3Å; K792-T794 PolarHBondContact NZ-O 3.35Å; K792-R796 PolarHBondContact NZ-O 3.14Å; K792-W797 HydrophobicContact CD-CH2 4.48Å; K792-W797 HydrophobicContact CD-CZ2 4.43Å; K792-R840 HydrophobicContact CG-CG 4.23Å; K792-R840 CarbonylContact O-C 3.5Å; K792-R840 WeakPolarHBondContact O-CA 3.38Å; K792-A841 PolarHBondContact O-N 3.23Å
793	V	95.7	Very high	87.5	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.7	169	-69.9	0	0	0	0	111.2	F700 A701 A704 V713 G714 F715 A841	F700-V793 HydrophobicContact CD1-CB 4.11Å; F700-V793 HydrophobicContact CD1-CG1 4.3Å; F700-V793 HydrophobicContact CE1-CB 3.72Å; F700-V793 HydrophobicContact CE1-CG1 3.79Å; A701-V793 HydrophobicContact CB-CG2 3.92Å; A704-V793 HydrophobicContact CB-CG1 3.85Å; V713-V793 HydrophobicContact CG1-CG1 3.76Å; G714-V793 VanDerWaalsContact C-CG2 3.48Å; G714-V793 WeakPolarHBondContact O-CG2 3.37Å; G714-V793 PolarHBondContact O-N 2.9Å; F715-V793 HydrophobicContact CD1-CG2 3.73Å; F715-V793 HydrophobicContact CD2-CG2 4.46Å; F715-V793 HydrophobicContact CE1-CG2 3.77Å; F715-V793 HydrophobicContact CE2-CG2 4.48Å; F715-V793 HydrophobicContact CG-CG2 4.09Å; F715-V793 HydrophobicContact CZ-CG2 4.16Å; V793-A841 HydrophobicContact CG1-CB 4.21Å
794	T	88.8	Confident	86.2	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.031	25%	0.246	C	C	.	.	S	Bend	trans	55.2	173.9	172.4	91.5	0	0	0	0	115.9	F700 F715 K792 R796 R840 A841 V861	F700-T794 HydrophobicContact CD1-CG2 3.68Å; F700-T794 HydrophobicContact CE1-CG2 3.92Å; F715-T794 HydrophobicContact CD1-CG2 4.17Å; F715-T794 HydrophobicContact CE1-CG2 3.93Å; K792-T794 WeakPolarHBondContact CE-O 3.3Å; K792-T794 PolarHBondContact NZ-O 3.35Å; T794-R796 VanDerWaalsContact C-N 3.3Å; T794-R796 PolarHBondContact O-N 2.63Å; T794-R796 PolarHBondContact OG1-N 3.48Å; T794-R840 WeakPolarHBondContact O-CD 2.92Å; T794-A841 PolarHBondContact N-O 3.01Å; T794-V861 HydrophobicContact CG2-CG1 3.44Å; T794-V861 VanDerWaalsContact CG2-CG1 3.44Å
795	S	84.3	Confident	84.6	Confident	86 Å²	86	48.1 Å²	48.1	60%	0.601	28%	0.283	S	S	*	.	S	Bend	trans	-77.5	-5	179.4	60	0	0	0	0	114.9	W797	S795-W797 PolarHBondContact O-N 3.15Å
796	R	82.8	Confident	82.9	Confident	65 Å²	65	53.2 Å²	53.2	25%	0.245	31%	0.309	C	S	.	.			trans	-70.6	129.9	-176.7	-71.3	-159.4	178.1	-160.3	2.9	112.4	Q692 E697 F715 K792 T794	Q692-R796 PolarHBondContact O-NH1 3.14Å; E697-R796 VanDerWaalsContact CD-NE 3.32Å; E697-R796 WeakPolarHBondContact OE1-CD 3.32Å; E697-R796 IonicContact OE1-CZ 3.5Å; E697-R796 VanDerWaalsContact OE1-CZ 3.26Å; E697-R796 IonicContact OE1-NE 3.96Å; E697-R796 PolarHBondContact OE1-NE 3.48Å; E697-R796 IonicContact OE1-NH2 2.87Å; E697-R796 PolarHBondContact OE1-NH2 3.38Å; E697-R796 IonicContact OE2-CZ 3.98Å; E697-R796 IonicContact OE2-NE 3.43Å; E697-R796 PolarHBondContact OE2-NE 3.11Å; E697-R796 IonicContact OE2-NH1 2.68Å; E697-R796 IonicContact OE2-NH2 3.38Å; E697-R796 PolarHBondContact OE2-NH2 2.04Å; E697-R796 VanDerWaalsContact OE2-NH2 3.1Å; F715-R796 HydrophobicContact CB-CB 4.37Å; F715-R796 VanDerWaalsContact O-O 3.12Å; K792-R796 PolarHBondContact NZ-O 3.14Å; T794-R796 VanDerWaalsContact C-N 3.3Å; T794-R796 PolarHBondContact O-N 2.63Å; T794-R796 PolarHBondContact OG1-N 3.48Å
797	W	77.4	Confident	81.1	Confident	49 Å²	49	54.6 Å²	54.6	19%	0.186	32%	0.317	C	S	.	.			trans	-118	-27.6	-178.2	-77.6	95.5	0	0	0	114.1	G717 R718 H733 S734 K792 S795	G717-W797 WeakPolarHBondContact O-CZ3 3.25Å; R718-W797 PolarHBondContact NH1-O 2.98Å; R718-W797 PolarHBondContact NH2-O 3.37Å; H733-W797 VanDerWaalsContact CE1-CB 3.44Å; H733-W797 WeakPolarHBondContact CE1-CB 3.4Å; H733-W797 AromaticContact CE1-CD1 3.69Å; H733-W797 AromaticContact CE1-CD2 3.96Å; H733-W797 AromaticContact CE1-CG 3.42Å; H733-W797 VanDerWaalsContact CE1-CG 3.42Å; H733-W797 AromaticContact ND1-CD1 3.6Å; H733-W797 AromaticContact ND1-CD2 3.5Å; H733-W797 AromaticContact ND1-CE2 3.78Å; H733-W797 AromaticContact ND1-CG 3.42Å; H733-W797 AromaticContact ND1-NE1 3.81Å; S734-W797 WeakPolarHBondContact O-CH2 3.43Å; K792-W797 HydrophobicContact CD-CH2 4.48Å; K792-W797 HydrophobicContact CD-CZ2 4.43Å; S795-W797 PolarHBondContact O-N 3.15Å
798	T	76.1	Confident	79.4	Confident	97 Å²	97	57.7 Å²	57.7	60%	0.595	34%	0.338	S	S	*	.			trans	-144.1	152.4	-178.3	50.9	0	0	0	0	108.9
799	F	78	Confident	77.5	Confident	46 Å²	46	57.5 Å²	57.5	20%	0.202	34%	0.341	C	S	.	.			trans	-115.3	124.8	171.4	-60.4	-77.7	0	0	0	107.5	V691 L693 F715 P716 A744	V691-F799 HydrophobicContact CB-CD2 4.41Å; V691-F799 HydrophobicContact CB-CG 4.39Å; V691-F799 HydrophobicContact CG1-CD1 3.9Å; V691-F799 HydrophobicContact CG1-CD2 3.82Å; V691-F799 HydrophobicContact CG1-CE1 3.95Å; V691-F799 HydrophobicContact CG1-CE2 3.85Å; V691-F799 HydrophobicContact CG1-CG 3.84Å; V691-F799 HydrophobicContact CG1-CZ 3.93Å; V691-F799 HydrophobicContact CG2-CB 4.13Å; V691-F799 HydrophobicContact CG2-CD2 3.76Å; V691-F799 HydrophobicContact CG2-CE2 4.38Å; V691-F799 HydrophobicContact CG2-CG 4.03Å; L693-F799 HydrophobicContact CD2-CE1 3.55Å; L693-F799 HydrophobicContact CD2-CZ 3.71Å; L693-F799 HydrophobicContact CG-CE1 4.17Å; L693-F799 HydrophobicContact CG-CZ 4.33Å; F715-F799 HydrophobicContact CB-CE2 4.25Å; F715-F799 HydrophobicContact CB-CZ 3.79Å; F715-F799 HydrophobicContact CD2-CZ 4.29Å; F715-F799 HydrophobicContact CG-CZ 4.1Å; P716-F799 HydrophobicContact CG-CD2 4.04Å; P716-F799 HydrophobicContact CG-CE2 3.5Å; P716-F799 VanDerWaalsContact CG-CE2 3.5Å; A744-F799 HydrophobicContact CB-CD2 4.5Å; A744-F799 HydrophobicContact CB-CE2 3.49Å; A744-F799 VanDerWaalsContact CB-CE2 3.49Å; A744-F799 HydrophobicContact CB-CZ 3.8Å
800	A	71.3	Confident	75.6	Confident	83 Å²	83	62.6 Å²	62.6	69%	0.686	37%	0.367	S	S	*	.			trans	-90.9	133.9	172.5	0	0	0	0	0	108.7	P802	A800-P802 WeakPolarHBondContact O-CD 3.46Å
801	C	73.3	Confident	73.8	Confident	16 Å²	16	64.3 Å²	64.3	11%	0.108	38%	0.38	C	S	.	.			trans	-102.5	103	171.8	175.2	0	0	0	0	109.5	D690 M803 C804	D690-C801 HydrophobicContact CB-CB 3.92Å; C801-M803 PolarHBondContact O-N 2.97Å; C801-C804 HydrophobicContact CB-CB 3.69Å; C801-C804 WeakPolarHBondContact CB-SG 3.42Å; C801-C804 PolarHBondContact O-N 3.48Å; C801-C804 WeakPolarHBondContact SG-CB 3.45Å; C801-C804 PolarHBondContact SG-N 3.39Å; C801-C804 CovalentContact SG-SG 2.05Å; C801-C804 PolarHBondContact SG-SG 3.04Å
802	P	72.1	Confident	72.1	Confident	106 Å²	106	72.1 Å²	72.1	69%	0.688	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.4	-178.8	-20	33	0	0	0	113.7	A800	A800-P802 WeakPolarHBondContact O-CD 3.46Å
803	M	67.2	Low	71.2	Confident	98 Å²	98	75.2 Å²	75.2	48%	0.483	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.9	-176.7	-63.5	-71.2	-69	0	0	113.1	V620 C801	V620-M803 HydrophobicContact CG2-CB 4.31Å; C801-M803 PolarHBondContact O-N 2.97Å
804	C	69.4	Low	70.4	Confident	26 Å²	26	76.2 Å²	76.2	18%	0.176	44%	0.442	C	S	.	.			trans	-91.3	123.2	-175.5	-63.3	0	0	0	0	109.9	C801	C801-C804 HydrophobicContact CB-CB 3.69Å; C801-C804 WeakPolarHBondContact CB-SG 3.42Å; C801-C804 PolarHBondContact O-N 3.48Å; C801-C804 WeakPolarHBondContact SG-CB 3.45Å; C801-C804 PolarHBondContact SG-N 3.39Å; C801-C804 CovalentContact SG-SG 2.05Å; C801-C804 PolarHBondContact SG-SG 3.04Å
805	S	63.4	Low	70.1	Confident	118 Å²	118	79.7 Å²	79.7	83%	0.825	46%	0.456	S	S	*	.	S	Bend	trans	-68.6	-33.3	178.7	53.6	0	0	0	0	113.2
806	N	59.6	Low	70.2	Confident	132 Å²	132	84 Å²	84	71%	0.706	46%	0.459	S	S	*	.			trans	-140.5	128.7	176.9	-74.1	-37.4	0	0	0	110.2
807	T	58	Low	70.6	Confident	47 Å²	47	84.2 Å²	84.2	29%	0.288	46%	0.461	S	S	.	.			trans	-93.9	117.6	169	52.4	0	0	0	0	109.4	S809 N810	T807-S809 PolarHBondContact O-N 3.24Å; T807-N810 PolarHBondContact O-N 3.24Å; T807-N810 PolarHBondContact OG1-ND2 3.19Å; T807-N810 PolarHBondContact OG1-OD1 2.92Å
808	L	60.1	Low	71.3	Confident	131 Å²	131	82.7 Å²	82.7	69%	0.686	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-52.5	-28.2	177.5	-81	127.4	0	0	0	113	N810 S811 H814	L808-N810 PolarHBondContact O-N 2.92Å; L808-S811 PolarHBondContact O-N 3.08Å; L808-S811 PolarHBondContact O-OG 2.78Å; L808-H814 WeakPolarHBondContact O-CB 3.43Å
809	S	58.8	Low	72.1	Confident	53 Å²	53	80.2 Å²	80.2	37%	0.371	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-65	-15.9	178.2	57.8	0	0	0	0	115.2	T807	T807-S809 PolarHBondContact O-N 3.24Å
810	N	58.2	Low	72.7	Confident	129 Å²	129	84.1 Å²	84.1	69%	0.69	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-89.7	-10.2	-177.3	-73.5	0.6	0	0	0	113.5	T807 L808	T807-N810 PolarHBondContact O-N 3.24Å; T807-N810 PolarHBondContact OG1-ND2 3.19Å; T807-N810 PolarHBondContact OG1-OD1 2.92Å; L808-N810 PolarHBondContact O-N 2.92Å
811	S	59.8	Low	73.8	Confident	46 Å²	46	80.2 Å²	80.2	32%	0.322	42%	0.418	S	S	.	.	S	Bend	trans	-76.7	138	177.3	70.7	0	0	0	0	110.7	L808 S813 H814	L808-S811 PolarHBondContact O-N 3.08Å; L808-S811 PolarHBondContact O-OG 2.78Å; S811-S813 WeakPolarHBondContact CB-OG 3.47Å; S811-S813 PolarHBondContact O-N 3.37Å; S811-S813 PolarHBondContact OG-OG 3.25Å; S811-H814 WeakPolarHBondContact O-CB 3.28Å; S811-H814 PolarHBondContact O-N 3.48Å; S811-H814 PolarHBondContact OG-N 3.32Å
812	E	63.7	Low	74.8	Confident	180 Å²	180	79.5 Å²	79.5	84%	0.841	41%	0.414	S	S	*	.	H	α-helix	trans	-57.6	-32.9	172.6	-70.3	-172.2	161.1	0	0	111.7	H814 Y815 W816	E812-H814 PolarHBondContact O-N 3.07Å; E812-Y815 PolarHBondContact O-N 3.15Å; E812-W816 PolarHBondContact O-N 2.82Å
813	S	77	Confident	75.7	Confident	66 Å²	66	76.1 Å²	76.1	46%	0.462	39%	0.392	S	S	.	.	H	α-helix	trans	-58.3	-30	174.7	62.8	0	0	0	0	113	S811 K817	S811-S813 WeakPolarHBondContact CB-OG 3.47Å; S811-S813 PolarHBondContact O-N 3.37Å; S811-S813 PolarHBondContact OG-OG 3.25Å; S813-K817 WeakPolarHBondContact O-CB 3.04Å; S813-K817 WeakPolarHBondContact O-CG 3.32Å; S813-K817 PolarHBondContact O-N 2.57Å
814	H	78.1	Confident	76.9	Confident	21 Å²	21	72.4 Å²	72.4	10%	0.097	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-43.7	178.7	178.9	-91.9	0	0	0	112	N772 L808 S811 E812 R818	N772-H814 PolarHBondContact ND2-CD2 2.74Å; N772-H814 PolarHBondContact ND2-NE2 2.81Å; L808-H814 WeakPolarHBondContact O-CB 3.43Å; S811-H814 WeakPolarHBondContact O-CB 3.28Å; S811-H814 PolarHBondContact O-N 3.48Å; S811-H814 PolarHBondContact OG-N 3.32Å; E812-H814 PolarHBondContact O-N 3.07Å; H814-R818 PolarHBondContact CE1-NE 3.21Å; H814-R818 PolarHBondContact NE2-NE 3.47Å; H814-R818 PolarHBondContact O-N 3.44Å
815	Y	83.6	Confident	78.1	Confident	79 Å²	79	71.5 Å²	71.5	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-70.3	-43.6	179.1	-73.7	-76.8	0	0	0	112	Y729 S731 E812 K817 R818 H819	Y729-Y815 HydrophobicContact CD1-CD1 4.05Å; Y729-Y815 HydrophobicContact CD1-CE1 4.3Å; Y729-Y815 HydrophobicContact CE1-CD1 4.23Å; Y729-Y815 HydrophobicContact CE1-CE1 4.06Å; S731-Y815 WeakPolarHBondContact OG-CE1 3.46Å; S731-Y815 PolarHBondContact OG-OH 3.32Å; E812-Y815 PolarHBondContact O-N 3.15Å; Y815-K817 VanDerWaalsContact C-N 3.3Å; Y815-K817 PolarHBondContact O-N 3.01Å; Y815-R818 PolarHBondContact O-N 3.22Å; Y815-R818 VanDerWaalsContact O-N 3.1Å; Y815-H819 PolarHBondContact O-CD2 3.33Å; Y815-H819 PolarHBondContact O-CE1 3.27Å; Y815-H819 PolarHBondContact O-N 3.34Å; Y815-H819 PolarHBondContact O-ND1 2.82Å
816	W	86.2	Confident	79.5	Confident	176 Å²	176	66.6 Å²	66.6	67%	0.667	33%	0.333	S	S	*	.	H	α-helix	trans	-57.3	-44.4	176.1	-179.2	88.6	0	0	0	111.9	E812 R818 H819 R820	E812-W816 PolarHBondContact O-N 2.82Å; W816-R818 PolarHBondContact O-N 3.39Å; W816-H819 PolarHBondContact O-N 2.86Å; W816-R820 PolarHBondContact O-N 2.71Å
817	K	90.6	Very high	81	Confident	70 Å²	70	64.3 Å²	64.3	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-56.3	-46.8	174	-77.2	177.7	174.2	-156.6	0	111.8	V770 S813 Y815 R820 C821	V770-K817 HydrophobicContact CG1-CB 3.63Å; V770-K817 HydrophobicContact CG1-CD 3.72Å; V770-K817 HydrophobicContact CG1-CG 3.66Å; V770-K817 PolarHBondContact O-NZ 2.88Å; S813-K817 WeakPolarHBondContact O-CB 3.04Å; S813-K817 WeakPolarHBondContact O-CG 3.32Å; S813-K817 PolarHBondContact O-N 2.57Å; Y815-K817 VanDerWaalsContact C-N 3.3Å; Y815-K817 PolarHBondContact O-N 3.01Å; K817-R820 WeakPolarHBondContact O-CB 3.33Å; K817-R820 PolarHBondContact O-N 3.45Å; K817-C821 PolarHBondContact O-N 3.45Å; K817-C821 PolarHBondContact O-SG 2.99Å
818	R	92.6	Very high	82.6	Confident	17 Å²	17	62.8 Å²	62.8	6%	0.064	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-38	178.4	-70.3	-173.2	177.3	-131.1	-2.7	113.4	Y729 N772 D775 H814 Y815 W816 R820 C821 L822	Y729-R818 HydrophobicContact CD1-CB 3.98Å; Y729-R818 HydrophobicContact CD2-CB 4.31Å; Y729-R818 HydrophobicContact CG-CB 3.79Å; Y729-R818 VanDerWaalsContact CZ-NH1 3.33Å; Y729-R818 PolarHBondContact OH-NH1 2.9Å; N772-R818 PolarHBondContact OD1-NE 2.94Å; D775-R818 IonicContact OD1-CZ 2.7Å; D775-R818 IonicContact OD1-NH1 2.88Å; D775-R818 IonicContact OD1-NH2 2.76Å; D775-R818 IonicContact OD2-CZ 2.66Å; D775-R818 IonicContact OD2-NH1 3.66Å; D775-R818 PolarHBondContact OD2-NH1 3.27Å; D775-R818 IonicContact OD2-NH2 3.94Å; D775-R818 PolarHBondContact OD2-NH2 3.05Å; H814-R818 PolarHBondContact CE1-NE 3.21Å; H814-R818 PolarHBondContact NE2-NE 3.47Å; H814-R818 PolarHBondContact O-N 3.44Å; Y815-R818 PolarHBondContact O-N 3.22Å; Y815-R818 VanDerWaalsContact O-N 3.1Å; W816-R818 PolarHBondContact O-N 3.39Å; R818-R820 VanDerWaalsContact C-N 3.33Å; R818-C821 PolarHBondContact O-N 3.46Å; R818-L822 PolarHBondContact O-N 3.18Å
819	H	92.3	Very high	84.1	Confident	44 Å²	44	57.6 Å²	57.6	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-45.8	172.7	-55.7	-20.9	0	0	0	110.8	Y728 Y729 Y815 W816 C821 L822 S823	Y728-H819 HydrophobicContact CD1-CB 4.36Å; Y728-H819 AromaticContact CD1-CD2 3.56Å; Y728-H819 AromaticContact CD1-CE1 3.94Å; Y728-H819 AromaticContact CD1-CG 3.7Å; Y728-H819 AromaticContact CD1-ND1 3.94Å; Y728-H819 AromaticContact CD1-NE2 3.72Å; Y728-H819 AromaticContact CE1-CD2 3.94Å; Y729-H819 PolarHBondContact N-ND1 3.22Å; Y729-H819 PolarHBondContact O-CE1 2.97Å; Y729-H819 PolarHBondContact O-ND1 3.17Å; Y815-H819 PolarHBondContact O-CD2 3.33Å; Y815-H819 PolarHBondContact O-CE1 3.27Å; Y815-H819 PolarHBondContact O-N 3.34Å; Y815-H819 PolarHBondContact O-ND1 2.82Å; W816-H819 PolarHBondContact O-N 2.86Å; H819-C821 PolarHBondContact O-N 2.68Å; H819-L822 PolarHBondContact O-N 3.03Å; H819-S823 PolarHBondContact O-N 3.2Å
820	R	92	Very high	85.8	Confident	128 Å²	128	55.4 Å²	55.4	48%	0.483	27%	0.268	S	S	.	.	H	α-helix	trans	-58.9	-47.4	175.9	176.9	58.2	179.5	148.4	2.6	111.3	W816 K817 R818 L822 S823 V824	W816-R820 PolarHBondContact O-N 2.71Å; K817-R820 WeakPolarHBondContact O-CB 3.33Å; K817-R820 PolarHBondContact O-N 3.45Å; R818-R820 VanDerWaalsContact C-N 3.33Å; R820-L822 PolarHBondContact O-N 3.19Å; R820-S823 WeakPolarHBondContact O-CB 3.24Å; R820-S823 PolarHBondContact O-N 3.16Å; R820-V824 HydrophobicContact CG-CG2 4.46Å; R820-V824 VanDerWaalsContact NH1-CG2 3.26Å; R820-V824 WeakPolarHBondContact O-CG2 3.44Å; R820-V824 PolarHBondContact O-N 2.94Å
821	C	94.1	Very high	87.5	Confident	2 Å²	2	50 Å²	50	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-43.9	178	-63.4	0	0	0	0	112.8	C773 K817 R818 H819 S823 V824 L825	C773-C821 HydrophobicContact CB-CB 3.41Å; C773-C821 VanDerWaalsContact CB-CB 3.41Å; C773-C821 WeakPolarHBondContact CB-SG 3.43Å; C773-C821 WeakPolarHBondContact SG-CB 2.98Å; C773-C821 CovalentContact SG-SG 2.02Å; C773-C821 PolarHBondContact SG-SG 3.18Å; K817-C821 PolarHBondContact O-N 3.45Å; K817-C821 PolarHBondContact O-SG 2.99Å; R818-C821 PolarHBondContact O-N 3.46Å; H819-C821 PolarHBondContact O-N 2.68Å; C821-S823 VanDerWaalsContact C-N 3.3Å; C821-S823 PolarHBondContact O-N 2.84Å; C821-V824 PolarHBondContact O-N 3.18Å; C821-L825 VanDerWaalsContact O-CB 3.31Å; C821-L825 WeakPolarHBondContact O-CB 3.47Å; C821-L825 WeakPolarHBondContact O-CG 3.03Å; C821-L825 PolarHBondContact O-N 3.28Å
822	L	93.8	Very high	89.2	Confident	1 Å²	1	49 Å²	49	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-56.4	-46	176.1	-77.2	179.1	0	0	0	111.8	H720 Y728 Y729 V776 F780 R818 H819 R820 M826 L834	H720-L822 HydrophobicContact CB-CD1 4.41Å; Y728-L822 VanDerWaalsContact C-CD1 3.46Å; Y729-L822 VanDerWaalsContact N-CD1 3.3Å; V776-L822 HydrophobicContact CG1-CD2 3.58Å; V776-L822 HydrophobicContact CG1-CG 4.35Å; F780-L822 HydrophobicContact CE2-CD2 3.36Å; F780-L822 HydrophobicContact CZ-CD2 3.69Å; R818-L822 PolarHBondContact O-N 3.18Å; H819-L822 PolarHBondContact O-N 3.03Å; R820-L822 PolarHBondContact O-N 3.19Å; L822-M826 WeakPolarHBondContact O-CB 3.22Å; L822-M826 VanDerWaalsContact O-CG 3.29Å; L822-M826 WeakPolarHBondContact O-CG 3.06Å; L822-M826 PolarHBondContact O-N 3.29Å; L822-L834 HydrophobicContact CD2-CD1 4.29Å
823	S	91.3	Very high	90.8	Very high	35 Å²	35	40.5 Å²	40.5	25%	0.245	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-50.2	177.2	-172.9	0	0	0	0	111.4	H819 R820 C821 M826 D827	H819-S823 PolarHBondContact O-N 3.2Å; R820-S823 WeakPolarHBondContact O-CB 3.24Å; R820-S823 PolarHBondContact O-N 3.16Å; C821-S823 VanDerWaalsContact C-N 3.3Å; C821-S823 PolarHBondContact O-N 2.84Å; S823-M826 WeakPolarHBondContact O-CB 3.26Å; S823-M826 PolarHBondContact O-N 3.24Å; S823-D827 VanDerWaalsContact O-CG 3.27Å; S823-D827 PolarHBondContact O-N 3.24Å
824	V	92.1	Very high	91.8	Very high	19 Å²	19	37.7 Å²	37.7	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-69.3	-40.9	-175.8	-170.8	0	0	0	0	112.2	I766 R820 C821 M826 D827 I828	I766-V824 HydrophobicContact CD1-CB 4.04Å; I766-V824 HydrophobicContact CD1-CG1 3.18Å; I766-V824 HydrophobicContact CG1-CG1 4.28Å; R820-V824 HydrophobicContact CG-CG2 4.46Å; R820-V824 VanDerWaalsContact NH1-CG2 3.26Å; R820-V824 WeakPolarHBondContact O-CG2 3.44Å; R820-V824 PolarHBondContact O-N 2.94Å; C821-V824 PolarHBondContact O-N 3.18Å; V824-M826 PolarHBondContact O-N 2.9Å; V824-D827 PolarHBondContact O-N 3.38Å; V824-I828 HydrophobicContact CG1-CD1 3.98Å; V824-I828 HydrophobicContact CG1-CG1 4.44Å; V824-I828 WeakPolarHBondContact O-CG1 3.36Å; V824-I828 PolarHBondContact O-N 3.1Å
825	L	94.3	Very high	92.7	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-43.2	174.8	-70.8	172.9	0	0	0	110.5	I763 V776 A777 F780 C821 I828 Y829	I763-L825 HydrophobicContact CB-CD2 4.14Å; I763-L825 HydrophobicContact CD1-CD2 3.87Å; I763-L825 HydrophobicContact CG1-CD2 3.84Å; I763-L825 HydrophobicContact CG2-CD2 3.34Å; V776-L825 HydrophobicContact CB-CD1 4.37Å; V776-L825 HydrophobicContact CG1-CD1 3.66Å; A777-L825 HydrophobicContact CB-CD1 4.47Å; A777-L825 HydrophobicContact CB-CD2 4.31Å; F780-L825 HydrophobicContact CD1-CB 3.74Å; F780-L825 HydrophobicContact CD1-CD1 4.38Å; F780-L825 HydrophobicContact CD2-CD1 4.01Å; F780-L825 HydrophobicContact CE1-CB 3.63Å; F780-L825 HydrophobicContact CE2-CD1 4.22Å; F780-L825 HydrophobicContact CG-CB 4.3Å; F780-L825 HydrophobicContact CG-CD1 4.1Å; F780-L825 HydrophobicContact CZ-CB 4.11Å; C821-L825 VanDerWaalsContact O-CB 3.31Å; C821-L825 WeakPolarHBondContact O-CB 3.47Å; C821-L825 WeakPolarHBondContact O-CG 3.03Å; C821-L825 PolarHBondContact O-N 3.28Å; L825-I828 PolarHBondContact O-N 2.9Å; L825-Y829 VanDerWaalsContact O-CD2 3.26Å; L825-Y829 WeakPolarHBondContact O-CD2 3.38Å; L825-Y829 PolarHBondContact O-N 3.43Å
826	M	92.7	Very high	93.4	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-40.5	176.8	-80.9	-166.9	55.2	0	0	113.8	W727 F780 L822 S823 V824 I828 Y829 G830 Y831 N832	W727-M826 HydrophobicContact CB-SD 4.24Å; W727-M826 VanDerWaalsContact CD1-CE 3.43Å; W727-M826 HydrophobicContact CD2-SD 4.01Å; W727-M826 HydrophobicContact CG-CE 4.36Å; W727-M826 HydrophobicContact CG-SD 3.51Å; W727-M826 VanDerWaalsContact CG-SD 3.51Å; W727-M826 PolarHBondContact NE1-SD 3.21Å; F780-M826 HydrophobicContact CE1-CG 3.78Å; F780-M826 HydrophobicContact CZ-CG 3.98Å; L822-M826 WeakPolarHBondContact O-CB 3.22Å; L822-M826 VanDerWaalsContact O-CG 3.29Å; L822-M826 WeakPolarHBondContact O-CG 3.06Å; L822-M826 PolarHBondContact O-N 3.29Å; S823-M826 WeakPolarHBondContact O-CB 3.26Å; S823-M826 PolarHBondContact O-N 3.24Å; V824-M826 PolarHBondContact O-N 2.9Å; M826-I828 VanDerWaalsContact C-N 3.31Å; M826-I828 PolarHBondContact O-N 3.32Å; M826-Y829 PolarHBondContact O-N 3.12Å; M826-G830 CarbonylContact O-C 3.36Å; M826-G830 WeakPolarHBondContact O-CA 3.48Å; M826-G830 PolarHBondContact O-N 3.08Å; M826-Y831 PolarHBondContact O-N 2.79Å; M826-N832 HydrophobicContact CE-CB 3.63Å; M826-N832 HydrophobicContact CG-CB 4.15Å; M826-N832 HydrophobicContact SD-CB 3.54Å; M826-N832 VanDerWaalsContact SD-CB 3.54Å
827	D	91	Very high	93.9	Very high	85 Å²	85	31.6 Å²	31.6	46%	0.455	16%	0.155	S	C	.	.	H	α-helix	trans	-62.4	-41.5	176.5	-65.2	-28.1	0	0	0	110.6	S823 V824 G830	S823-D827 VanDerWaalsContact O-CG 3.27Å; S823-D827 PolarHBondContact O-N 3.24Å; V824-D827 PolarHBondContact O-N 3.38Å; D827-G830 PolarHBondContact O-N 2.78Å
828	I	92.5	Very high	94.2	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.072	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-46	178	-65.2	168.1	0	0	0	111.8	T288 P760 A762 I763 I766 V824 L825 M826 G830	T288-I828 WeakPolarHBondContact CG2-O 3.06Å; P760-I828 HydrophobicContact CB-CG2 4.17Å; P760-I828 HydrophobicContact CG-CG2 4.06Å; A762-I828 HydrophobicContact CB-CD1 4.14Å; I763-I828 HydrophobicContact CD1-CG2 3.94Å; I763-I828 HydrophobicContact CG1-CB 4.42Å; I763-I828 HydrophobicContact CG1-CD1 3.65Å; I763-I828 HydrophobicContact CG1-CG2 3.98Å; I766-I828 HydrophobicContact CD1-CD1 3.75Å; V824-I828 HydrophobicContact CG1-CD1 3.98Å; V824-I828 HydrophobicContact CG1-CG1 4.44Å; V824-I828 WeakPolarHBondContact O-CG1 3.36Å; V824-I828 PolarHBondContact O-N 3.1Å; L825-I828 PolarHBondContact O-N 2.9Å; M826-I828 VanDerWaalsContact C-N 3.31Å; M826-I828 PolarHBondContact O-N 3.32Å; I828-G830 VanDerWaalsContact C-N 3.28Å; I828-G830 PolarHBondContact O-N 2.68Å
829	Y	92.7	Very high	94.2	Very high	23 Å²	23	39 Å²	39	9%	0.09	20%	0.195	C	C	.	.	H	α-helix	trans	-72.9	-21.5	177.1	-81.1	-77.1	0	0	0	112.8	I763 F780 H784 L825 M826 Y831 P833	I763-Y829 HydrophobicContact CD1-CD2 4.25Å; I763-Y829 HydrophobicContact CD1-CE2 3.6Å; F780-Y829 HydrophobicContact CB-CE2 3.91Å; F780-Y829 AromaticContact CD1-CD2 3.74Å; F780-Y829 HydrophobicContact CD1-CD2 3.74Å; F780-Y829 AromaticContact CD1-CE2 3.95Å; F780-Y829 HydrophobicContact CD1-CE2 3.95Å; F780-Y829 HydrophobicContact CG-CE2 4.42Å; H784-Y829 HydrophobicContact CB-CD1 4.31Å; H784-Y829 HydrophobicContact CB-CE1 3.86Å; H784-Y829 AromaticContact CD2-CE1 3.61Å; H784-Y829 AromaticContact CE1-CD1 3.93Å; H784-Y829 AromaticContact CG-CD1 3.76Å; H784-Y829 AromaticContact CG-CE1 3.51Å; H784-Y829 AromaticContact ND1-CD1 3.67Å; H784-Y829 AromaticContact ND1-CE1 3.93Å; L825-Y829 VanDerWaalsContact O-CD2 3.26Å; L825-Y829 WeakPolarHBondContact O-CD2 3.38Å; L825-Y829 PolarHBondContact O-N 3.43Å; M826-Y829 PolarHBondContact O-N 3.12Å; Y829-Y831 VanDerWaalsContact C-N 3.28Å; Y829-Y831 WeakPolarHBondContact O-CD1 3.46Å; Y829-Y831 PolarHBondContact O-N 2.8Å; Y829-P833 HydrophobicContact CD1-CG 4.27Å; Y829-P833 HydrophobicContact CD2-CG 4.26Å; Y829-P833 HydrophobicContact CG-CG 3.99Å
830	G	92.9	Very high	94.3	Very high	7 Å²	7	42.7 Å²	42.7	7%	0.072	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	6.8	-173.8	0	0	0	0	0	114.6	L293 L294 M826 D827 I828	L293-G830 CarbonylContact C-O 3.56Å; L293-G830 WeakPolarHBondContact CA-O 3.32Å; L293-G830 WeakPolarHBondContact CD2-O 3.27Å; L294-G830 PolarHBondContact N-O 3.17Å; M826-G830 CarbonylContact O-C 3.36Å; M826-G830 WeakPolarHBondContact O-CA 3.48Å; M826-G830 PolarHBondContact O-N 3.08Å; D827-G830 PolarHBondContact O-N 2.78Å; I828-G830 VanDerWaalsContact C-N 3.28Å; I828-G830 PolarHBondContact O-N 2.68Å
831	Y	94.6	Very high	94.5	Very high	16 Å²	16	37.8 Å²	37.8	6%	0.063	19%	0.194	C	C	.	.	S	Bend	trans	-168.1	172.8	176.3	77.6	-65.8	0	0	0	110.3	L294 H784 R787 M826 Y829 P833	L294-Y831 HydrophobicContact CD1-CD1 3.79Å; L294-Y831 HydrophobicContact CD1-CE1 4.34Å; L294-Y831 HydrophobicContact CD1-CG 4.17Å; H784-Y831 AromaticContact CE1-CE1 3.85Å; H784-Y831 AromaticContact ND1-CE1 3.45Å; H784-Y831 WeakPolarHBondContact ND1-CE1 3.41Å; H784-Y831 AromaticContact ND1-CZ 3.51Å; H784-Y831 PolarHBondContact ND1-OH 3.28Å; R787-Y831 PolarHBondContact NH1-OH 3Å; M826-Y831 PolarHBondContact O-N 2.79Å; Y829-Y831 VanDerWaalsContact C-N 3.28Å; Y829-Y831 WeakPolarHBondContact O-CD1 3.46Å; Y829-Y831 PolarHBondContact O-N 2.8Å; Y831-P833 HydrophobicContact CE1-CG 4.08Å; Y831-P833 HydrophobicContact CE2-CB 4.06Å; Y831-P833 HydrophobicContact CE2-CG 4.27Å; Y831-P833 VanDerWaalsContact O-CD 3.26Å; Y831-P833 WeakPolarHBondContact O-CD 3.47Å
832	N	95.3	Very high	94.4	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.134	21%	0.207	C	C	.	.			trans	-88.6	110.4	170.7	-165.8	-13.9	0	0	0	110.2	W727 M826 L834	W727-N832 HydrophobicContact CZ2-CB 4.38Å; M826-N832 HydrophobicContact CE-CB 3.63Å; M826-N832 HydrophobicContact CG-CB 4.15Å; M826-N832 HydrophobicContact SD-CB 3.54Å; M826-N832 VanDerWaalsContact SD-CB 3.54Å; N832-L834 VanDerWaalsContact C-N 3.33Å; N832-L834 VanDerWaalsContact OD1-CB 3.31Å; N832-L834 WeakPolarHBondContact OD1-CB 3.4Å; N832-L834 PolarHBondContact OD1-N 3.35Å; N832-L834 VanDerWaalsContact OD1-N 3.09Å
833	P	96.7	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.			trans	-77	-20.7	179.1	-13.7	31.7	0	0	0	113.4	F780 A783 H784 R787 Y829 Y831	F780-P833 HydrophobicContact CD1-CG 3.8Å; F780-P833 HydrophobicContact CE1-CG 4.3Å; A783-P833 HydrophobicContact CB-CB 4.45Å; A783-P833 WeakPolarHBondContact CB-O 3.41Å; H784-P833 HydrophobicContact CB-CB 3.74Å; H784-P833 HydrophobicContact CB-CG 4.07Å; R787-P833 PolarHBondContact NH1-O 3.45Å; Y829-P833 HydrophobicContact CD1-CG 4.27Å; Y829-P833 HydrophobicContact CD2-CG 4.26Å; Y829-P833 HydrophobicContact CG-CG 3.99Å; Y831-P833 HydrophobicContact CE1-CG 4.08Å; Y831-P833 HydrophobicContact CE2-CB 4.06Å; Y831-P833 HydrophobicContact CE2-CG 4.27Å; Y831-P833 VanDerWaalsContact O-CD 3.26Å; Y831-P833 WeakPolarHBondContact O-CD 3.47Å
834	L	97.9	Very high	94.3	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	24%	0.235	C	C	.	.			trans	-63.6	140.3	-176.7	-62.5	-178.5	0	0	0	111.2	H720 M739 N779 F780 A783 L822 N832	H720-L834 HydrophobicContact CB-CD1 4.27Å; H720-L834 WeakPolarHBondContact ND1-CB 3.23Å; M739-L834 HydrophobicContact CE-CD1 4.08Å; M739-L834 HydrophobicContact CG-CD1 3.7Å; M739-L834 HydrophobicContact CG-CD2 3.95Å; M739-L834 HydrophobicContact CG-CG 4.49Å; M739-L834 HydrophobicContact SD-CD1 3.69Å; N779-L834 HydrophobicContact CB-CD2 3.95Å; F780-L834 HydrophobicContact CD2-CD1 3.94Å; F780-L834 HydrophobicContact CD2-CD2 3.78Å; F780-L834 HydrophobicContact CD2-CG 3.74Å; F780-L834 HydrophobicContact CE2-CD1 3.38Å; F780-L834 HydrophobicContact CE2-CD2 4.09Å; F780-L834 HydrophobicContact CE2-CG 3.54Å; F780-L834 HydrophobicContact CZ-CD1 4.16Å; F780-L834 HydrophobicContact CZ-CG 4.18Å; A783-L834 HydrophobicContact CB-CD2 4.26Å; L822-L834 HydrophobicContact CD2-CD1 4.29Å; N832-L834 VanDerWaalsContact C-N 3.33Å; N832-L834 VanDerWaalsContact OD1-CB 3.31Å; N832-L834 WeakPolarHBondContact OD1-CB 3.4Å; N832-L834 PolarHBondContact OD1-N 3.35Å; N832-L834 VanDerWaalsContact OD1-N 3.09Å
835	L	97.6	Very high	94.3	Very high	58 Å²	58	46 Å²	46	30%	0.304	24%	0.239	S	C	.	.			trans	-120.2	139.4	178.5	-62.1	175.7	0	0	0	109.6	S738 R787 P789	S738-L835 VanDerWaalsContact CA-O 3.28Å; S738-L835 WeakPolarHBondContact CA-O 3.11Å; S738-L835 WeakPolarHBondContact CB-O 3.41Å; R787-L835 VanDerWaalsContact C-CD1 3.47Å; R787-L835 WeakPolarHBondContact O-CD1 3.25Å; P789-L835 HydrophobicContact CB-CB 4.15Å; P789-L835 WeakPolarHBondContact CB-O 3.49Å
836	N	97.6	Very high	93.9	Very high	76 Å²	76	48.6 Å²	48.6	41%	0.406	25%	0.25	S	S	.	.			trans	-76.1	147.7	174.7	-69.3	-22.6	0	0	0	110.9	H720 L737 S738	H720-N836 PolarHBondContact CE1-OD1 3.39Å; L737-N836 CarbonylContact O-C 3.2Å; L737-N836 WeakPolarHBondContact O-CA 3.08Å; S738-N836 VanDerWaalsContact CB-OD1 3.28Å; S738-N836 WeakPolarHBondContact CB-OD1 3Å; S738-N836 PolarHBondContact OG-OD1 3.43Å
837	T	97.3	Very high	93.6	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.086	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-144.6	148.3	171.9	-169.4	0	0	0	0	110.4	E736 L737 P789 L839	E736-T837 WeakPolarHBondContact CA-O 3.44Å; L737-T837 HydrophobicContact CD1-CG2 4.1Å; L737-T837 HydrophobicContact CD2-CG2 4.27Å; L737-T837 HydrophobicContact CG-CG2 3.78Å; L737-T837 PolarHBondContact N-O 2.83Å; L737-T837 PolarHBondContact O-N 3.5Å; P789-T837 HydrophobicContact CB-CG2 3.83Å; P789-T837 HydrophobicContact CG-CG2 4.22Å; T837-L839 WeakPolarHBondContact OG1-CB 3.24Å; T837-L839 PolarHBondContact OG1-N 3.19Å; T837-L839 VanDerWaalsContact OG1-N 3.16Å
838	Q	96.3	Very high	93.5	Very high	138 Å²	138	55 Å²	55	65%	0.645	28%	0.279	S	S	*	.			trans	-105.4	5.4	172.2	-64.7	172.9	7.5	0	0	111.1	C735 E736	C735-Q838 WeakPolarHBondContact O-CG 3.21Å; E736-Q838 HydrophobicContact CG-CG 3.77Å; E736-Q838 PolarHBondContact OE1-NE2 2.97Å
839	L	94.5	Very high	93.4	Very high	105 Å²	105	64.2 Å²	64.2	55%	0.55	32%	0.318	S	S	.	.			trans	-82.5	130.6	-174.6	-62.7	179	0	0	0	111.3	T837	T837-L839 WeakPolarHBondContact OG1-CB 3.24Å; T837-L839 PolarHBondContact OG1-N 3.19Å; T837-L839 VanDerWaalsContact OG1-N 3.16Å
840	R	94.1	Very high	93.3	Very high	121 Å²	121	65.5 Å²	65.5	46%	0.457	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.8	166.3	-177.2	-177.2	80	-163	-0.6	108.8	K792 T794 D842	K792-R840 HydrophobicContact CG-CG 4.23Å; K792-R840 CarbonylContact O-C 3.5Å; K792-R840 WeakPolarHBondContact O-CA 3.38Å; T794-R840 WeakPolarHBondContact O-CD 2.92Å; R840-D842 IonicContact CZ-OD1 2.82Å; R840-D842 IonicContact CZ-OD2 3.61Å; R840-D842 VanDerWaalsContact CZ-OD2 3.25Å; R840-D842 IonicContact NE-OD1 3.95Å; R840-D842 PolarHBondContact NE-OD1 3.14Å; R840-D842 IonicContact NE-OD2 3.21Å; R840-D842 PolarHBondContact NE-OD2 3.01Å; R840-D842 IonicContact NH2-OD1 2.96Å; R840-D842 IonicContact NH2-OD2 3.39Å; R840-D842 PolarHBondContact NH2-OD2 2.96Å
841	A	94.9	Very high	93.3	Very high	26 Å²	26	68 Å²	68	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129	171.4	0	0	0	0	0	110.4	F700 L791 K792 V793 T794	F700-A841 WeakPolarHBondContact CE1-O 3.09Å; F700-A841 HydrophobicContact CZ-CB 4.26Å; F700-A841 WeakPolarHBondContact CZ-O 3.4Å; L791-A841 HydrophobicContact CD1-CB 4.27Å; L791-A841 HydrophobicContact CD2-CB 4.29Å; L791-A841 HydrophobicContact CG-CB 4.4Å; K792-A841 PolarHBondContact O-N 3.23Å; V793-A841 HydrophobicContact CG1-CB 4.21Å; T794-A841 PolarHBondContact N-O 3.01Å
842	D	93.2	Very high	93.1	Very high	54 Å²	54	72.4 Å²	72.4	29%	0.289	38%	0.381	S	S	.	.			trans	-124.4	163.4	169.1	-67.1	-52.5	0	0	0	108.7	R840 F846	R840-D842 IonicContact CZ-OD1 2.82Å; R840-D842 IonicContact CZ-OD2 3.61Å; R840-D842 VanDerWaalsContact CZ-OD2 3.25Å; R840-D842 IonicContact NE-OD1 3.95Å; R840-D842 PolarHBondContact NE-OD1 3.14Å; R840-D842 IonicContact NE-OD2 3.21Å; R840-D842 PolarHBondContact NE-OD2 3.01Å; R840-D842 IonicContact NH2-OD1 2.96Å; R840-D842 IonicContact NH2-OD2 3.39Å; R840-D842 PolarHBondContact NH2-OD2 2.96Å; D842-F846 HydrophobicContact CB-CD1 4.36Å
843	S	92.4	Very high	92.9	Very high	9 Å²	9	78.2 Å²	78.2	6%	0.063	41%	0.407	C	S	.	.			trans	-65.3	140.9	178.9	165.3	0	0	0	0	112	L845 F846 V861	S843-L845 VanDerWaalsContact C-N 3.28Å; S843-L845 PolarHBondContact O-N 3.17Å; S843-L845 VanDerWaalsContact O-N 3.16Å; S843-F846 WeakPolarHBondContact O-CB 3.46Å; S843-F846 PolarHBondContact O-N 3.26Å; S843-V861 WeakPolarHBondContact CB-O 3.03Å; S843-V861 WeakPolarHBondContact CB-OXT 3.47Å; S843-V861 PolarHBondContact N-OXT 3.25Å
844	V	91.1	Very high	92.6	Very high	128 Å²	128	82.7 Å²	82.7	78%	0.776	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.8	-172.7	177.5	0	0	0	0	113.5
845	L	90.5	Very high	92.2	Very high	39 Å²	39	85.5 Å²	85.5	20%	0.204	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	11.3	178.5	-61.4	-178.9	0	0	0	113.1	S843 K847 T848 I850	S843-L845 VanDerWaalsContact C-N 3.28Å; S843-L845 PolarHBondContact O-N 3.17Å; S843-L845 VanDerWaalsContact O-N 3.16Å; L845-K847 PolarHBondContact O-N 3Å; L845-T848 HydrophobicContact CD2-CG2 4.36Å; L845-T848 PolarHBondContact O-N 2.91Å; L845-I850 HydrophobicContact CD1-CG2 4.39Å; L845-I850 HydrophobicContact CD2-CG2 4.19Å
846	F	87.1	Confident	91.9	Very high	61 Å²	61	86 Å²	86	27%	0.268	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	132.3	175.6	-174.3	-121.3	0	0	0	110.6	D842 S843 T848 V861	D842-F846 HydrophobicContact CB-CD1 4.36Å; S843-F846 WeakPolarHBondContact O-CB 3.46Å; S843-F846 PolarHBondContact O-N 3.26Å; F846-T848 PolarHBondContact O-N 3.11Å; F846-T848 PolarHBondContact O-OG1 2.92Å; F846-V861 WeakPolarHBondContact CB-OXT 3.42Å; F846-V861 VanDerWaalsContact CD2-O 3.26Å; F846-V861 WeakPolarHBondContact CD2-O 3.24Å; F846-V861 VanDerWaalsContact CD2-OXT 3.27Å; F846-V861 WeakPolarHBondContact CD2-OXT 3.35Å; F846-V861 WeakPolarHBondContact CG-OXT 3.16Å
847	K	85.5	Confident	91.6	Very high	172 Å²	172	83 Å²	83	75%	0.748	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	10.8	-174.9	-64.4	179.9	176.1	-179.9	0	115.9	L845	L845-K847 PolarHBondContact O-N 3Å
848	T	88.7	Confident	91.2	Very high	61 Å²	61	82.5 Å²	82.5	37%	0.374	42%	0.422	S	S	.	.			trans	-83.8	135.8	175.3	-55.2	0	0	0	0	110.7	L845 F846 I850 K856	L845-T848 HydrophobicContact CD2-CG2 4.36Å; L845-T848 PolarHBondContact O-N 2.91Å; F846-T848 PolarHBondContact O-N 3.11Å; F846-T848 PolarHBondContact O-OG1 2.92Å; T848-I850 HydrophobicContact CG2-CG2 4.17Å; T848-I850 PolarHBondContact O-N 3.31Å; T848-K856 WeakPolarHBondContact O-CE 3.16Å
849	K	91.1	Very high	90.5	Very high	209 Å²	209	80 Å²	80	91%	0.909	41%	0.409	S	S	*	.			trans	-74.1	121.2	168.7	-70.3	-176.6	-179.3	178.5	0	108.3
850	I	91.1	Very high	89.6	Confident	49 Å²	49	79.7 Å²	79.7	25%	0.251	40%	0.403	S	S	.	.			trans	-123.2	154.5	179.9	61.8	174.6	0	0	0	110.6	L845 T848 H854 Q855 K856	L845-I850 HydrophobicContact CD1-CG2 4.39Å; L845-I850 HydrophobicContact CD2-CG2 4.19Å; T848-I850 HydrophobicContact CG2-CG2 4.17Å; T848-I850 PolarHBondContact O-N 3.31Å; I850-H854 HydrophobicContact CB-CB 4.44Å; I850-H854 HydrophobicContact CD1-CB 4.08Å; I850-H854 WeakPolarHBondContact CD1-O 3.37Å; I850-Q855 VanDerWaalsContact CD1-C 3.41Å; I850-K856 HydrophobicContact CD1-CB 4.46Å; I850-K856 HydrophobicContact CD1-CG 3.66Å; I850-K856 HydrophobicContact CG1-CG 4.48Å
851	P	92.9	Very high	88.3	Confident	61 Å²	61	74.2 Å²	74.2	40%	0.396	38%	0.383	S	S	.	.			trans	-56	149.9	174.3	-24.6	34.7	0	0	0	112.4	Q853 H854	P851-Q853 HydrophobicContact CB-CG 4.35Å; P851-Q853 PolarHBondContact O-N 3.24Å; P851-Q853 VanDerWaalsContact O-N 3.13Å; P851-H854 PolarHBondContact O-N 2.69Å
852	A	89.5	Confident	88	Confident	107 Å²	107	76.7 Å²	76.7	88%	0.884	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.9	-175.3	0	0	0	0	0	113.9	H854	A852-H854 VanDerWaalsContact C-N 3.3Å
853	Q	90.4	Very high	87.8	Confident	147 Å²	147	77.8 Å²	77.8	69%	0.687	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10	175.7	67.9	-86	21.3	0	0	114.2	P851	P851-Q853 HydrophobicContact CB-CG 4.35Å; P851-Q853 PolarHBondContact O-N 3.24Å; P851-Q853 VanDerWaalsContact O-N 3.13Å
854	H	90.5	Very high	87.5	Confident	94 Å²	94	81.7 Å²	81.7	44%	0.435	42%	0.416	S	S	.	.			trans	-104.4	148.5	-179.4	-67.7	173.9	0	0	0	111.4	I850 P851 A852	I850-H854 HydrophobicContact CB-CB 4.44Å; I850-H854 HydrophobicContact CD1-CB 4.08Å; I850-H854 WeakPolarHBondContact CD1-O 3.37Å; P851-H854 PolarHBondContact O-N 2.69Å; A852-H854 VanDerWaalsContact C-N 3.3Å
855	Q	89.9	Confident	87.3	Confident	66 Å²	66	78.9 Å²	78.9	31%	0.308	40%	0.395	S	S	.	.			trans	-103.3	149.5	173.4	-169.5	-176.9	-24.7	0	0	109.9	S591 G592 I850	S591-Q855 VanDerWaalsContact CB-O 3.25Å; S591-Q855 WeakPolarHBondContact CB-O 3.32Å; S591-Q855 PolarHBondContact OG-N 3.07Å; G592-Q855 PolarHBondContact N-O 3.41Å; I850-Q855 VanDerWaalsContact CD1-C 3.41Å
856	K	91.2	Very high	87.1	Confident	69 Å²	69	81.4 Å²	81.4	30%	0.3	41%	0.406	S	S	.	.			trans	-71.2	151.1	168.7	-67.7	-177.4	176.2	175.4	0	110.6	G592 T848 I850 F858	G592-K856 VanDerWaalsContact CA-O 3.24Å; G592-K856 WeakPolarHBondContact CA-O 3.26Å; T848-K856 WeakPolarHBondContact O-CE 3.16Å; I850-K856 HydrophobicContact CD1-CB 4.46Å; I850-K856 HydrophobicContact CD1-CG 3.66Å; I850-K856 HydrophobicContact CG1-CG 4.48Å; K856-F858 WeakPolarHBondContact CB-O 3.08Å; K856-F858 PolarHBondContact O-N 3.1Å
857	C	91.3	Very high	87.1	Confident	12 Å²	12	82.8 Å²	82.8	8%	0.081	42%	0.416	C	S	.	.	S	Bend	trans	-57.9	-36.1	178.7	-53.3	0	0	0	0	113.2	F595	F595-C857 HydrophobicContact CD1-CB 3.78Å; F595-C857 HydrophobicContact CE1-CB 3.9Å; F595-C857 HydrophobicContact CG-CB 4.33Å
858	F	89.3	Confident	87.2	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.018	39%	0.392	C	S	.	.			trans	-138.8	146	170.7	-63	-86.6	0	0	0	107.8	E520 L522 F595 D696 I699 F700 K856 V861	E520-F858 WeakPolarHBondContact OE1-CA 3.28Å; L522-F858 HydrophobicContact CD2-CD1 3.93Å; L522-F858 HydrophobicContact CD2-CE1 3.99Å; F595-F858 AromaticContact CE1-CE2 3.7Å; F595-F858 HydrophobicContact CE1-CE2 3.7Å; F595-F858 HydrophobicContact CE1-CZ 4.03Å; F595-F858 HydrophobicContact CZ-CE2 4.37Å; D696-F858 HydrophobicContact CB-CD1 4Å; D696-F858 WeakPolarHBondContact O-CE1 3.4Å; I699-F858 HydrophobicContact CB-CE1 4.34Å; I699-F858 HydrophobicContact CG2-CE1 4.22Å; I699-F858 HydrophobicContact CG2-CZ 4.32Å; F700-F858 HydrophobicContact CB-CD2 4.5Å; F700-F858 HydrophobicContact CB-CE1 4.08Å; F700-F858 HydrophobicContact CB-CE2 4Å; F700-F858 HydrophobicContact CB-CZ 3.76Å; F700-F858 HydrophobicContact CD2-CD2 4.12Å; F700-F858 AromaticContact CD2-CE2 3.68Å; F700-F858 HydrophobicContact CD2-CE2 3.68Å; F700-F858 HydrophobicContact CD2-CZ 4.25Å; F700-F858 HydrophobicContact CG-CE2 4.31Å; K856-F858 WeakPolarHBondContact CB-O 3.08Å; K856-F858 PolarHBondContact O-N 3.1Å; F858-V861 HydrophobicContact CB-CB 4.2Å
859	K	81.6	Confident	87.1	Confident	85 Å²	85	77.6 Å²	77.6	37%	0.37	39%	0.393	S	S	.	.	S	Bend	trans	-72.6	-37.6	177.5	-73.4	173.3	-172.2	171.8	0	112.6	S519 E520	S519-K859 PolarHBondContact O-NZ 3.04Å; S519-K859 VanDerWaalsContact O-NZ 3.1Å; S519-K859 PolarHBondContact OG-NZ 3.03Å; E520-K859 HydrophobicContact CB-CD 4.22Å; E520-K859 HydrophobicContact CG-CD 4.42Å; E520-K859 PolarHBondContact OE1-N 3.15Å; E520-K859 WeakPolarHBondContact OE2-CB 3.33Å; E520-K859 WeakPolarHBondContact OE2-CG 3.46Å; E520-K859 PolarHBondContact OE2-N 3.22Å; E520-K859 VanDerWaalsContact OE2-N 3.07Å
860	F	74.7	Confident	86.7	Confident	100 Å²	100	66.7 Å²	66.7	44%	0.439	35%	0.35	S	S	.	.			trans	-114.7	-9.1	-168.5	-56	-73.4	0	0	0	115.4
861	V	68.4	Low	86.3	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.036	36%	0.359	C	S	.	.			trans	-125.7	0	-174.4	-174.6	0	0	0	0	111.5	E697 F700 T794 S843 F846 F858	E697-V861 HydrophobicContact CG-CG2 3.89Å; F700-V861 HydrophobicContact CB-CG1 4.21Å; F700-V861 HydrophobicContact CD1-CG1 3.58Å; F700-V861 HydrophobicContact CD2-CG1 4.34Å; F700-V861 HydrophobicContact CE1-CG1 4.01Å; F700-V861 HydrophobicContact CG-CG1 3.76Å; T794-V861 HydrophobicContact CG2-CG1 3.44Å; T794-V861 VanDerWaalsContact CG2-CG1 3.44Å; S843-V861 WeakPolarHBondContact CB-O 3.03Å; S843-V861 WeakPolarHBondContact CB-OXT 3.47Å; S843-V861 PolarHBondContact N-OXT 3.25Å; F846-V861 WeakPolarHBondContact CB-OXT 3.42Å; F846-V861 VanDerWaalsContact CD2-O 3.26Å; F846-V861 WeakPolarHBondContact CD2-O 3.24Å; F846-V861 VanDerWaalsContact CD2-OXT 3.27Å; F846-V861 WeakPolarHBondContact CD2-OXT 3.35Å; F846-V861 WeakPolarHBondContact CG-OXT 3.16Å; F858-V861 HydrophobicContact CB-CB 4.2Å

Retrieved 861 of 861 residues in 445.9 ms (Link to these results)

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