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Selenoprotein N AlphaSync

Plays an important role in cell protection against oxidative stress and in the regulation of redox-related calcium homeostasis. Regulates the calcium level of the ER by protecting the calcium pump ATP2A2 against the oxidoreductase ERO1A-mediated oxidative damage. Within the ER, ERO1A activity increases the concentration of H(2)O(2), which attacks the luminal thiols in ATP2A2 and thus leads to cysteinyl sulfenic acid formation (-SOH) and SEPN1 reduces the SOH back to free thiol (-SH), thus restoring ATP2A2 activity¹. Acts as a modulator of ryanodine receptor (RyR) activity: protects RyR from oxidation due to increased oxidative stress, or directly controls the RyR redox state, regulating the RyR-mediated calcium mobilization required for normal muscle development and differentiation (By similarity). Essential for muscle regeneration and satellite cell maintenance in skeletal muscle².

AlphaFold DB , UniProt , Accession D3Z2R5, Species MOUSE (Mus musculus, Mouse), Gene Selenon, Length 557 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.2	Very low	49.5	Very low	252 Å²	252	162.9 Å²	162.9	100%	1.241	89%	0.891	S	S	*	*				0	118.6	0	-87.5	172.3	162.7	0	0	109.5
2	G	43.4	Very low	49.5	Very low	82 Å²	82	165.1 Å²	165.1	85%	0.845	89%	0.89	S	S	*	*			trans	48.3	97.8	147	0	0	0	0	0	124.1
3	Q	45.8	Very low	49.7	Very low	188 Å²	188	161.4 Å²	161.4	88%	0.879	89%	0.885	S	S	*	*			trans	-3.6	144.6	146.5	-62.8	178.3	-6.5	0	0	123.2
4	A	53.2	Low	50	Low	109 Å²	109	158.8 Å²	158.8	90%	0.901	88%	0.879	S	S	*	*			trans	-149.3	139.2	135.4	0	0	0	0	0	111.8
5	R	49.3	Very low	50	Low	231 Å²	231	158.5 Å²	158.5	87%	0.872	88%	0.876	S	S	*	*			trans	-89.3	164.9	-164.2	-74	169.9	154.7	175.2	-6.1	115.7
6	P	58.7	Low	49.9	Very low	130 Å²	130	156.3 Å²	156.3	84%	0.844	87%	0.871	S	S	*	*			trans	-103.5	158.4	160.3	37.6	-27.7	0	0	0	113.6
7	A	53.8	Low	49.7	Very low	111 Å²	111	151.2 Å²	151.2	92%	0.917	86%	0.862	S	S	*	*			trans	-139.7	152.9	175.1	0	0	0	0	0	112.4
8	A	47.6	Very low	49.7	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	86%	0.858	S	S	*	*			trans	-121.3	160.3	-155.9	0	0	0	0	0	115.6
9	R	48.5	Very low	50	Low	241 Å²	241	150.3 Å²	150.3	91%	0.909	86%	0.86	S	S	*	*			trans	63.6	135.1	146	-77.3	178.5	177.5	-175.3	-0.5	121.7
10	R	46.2	Very low	50.1	Low	248 Å²	248	149.5 Å²	149.5	94%	0.936	86%	0.86	S	S	*	*				-165.8	152.2	119.4	-101	173	-166.4	-157.6	4.3	113.2
11	P	54.3	Low	50.3	Low	108 Å²	108	146 Å²	146	70%	0.701	85%	0.849	S	S	*	*			trans	-125.5	167.8	-161.5	38.4	-20.4	0	0	0	118
12	H	49.2	Very low	50.9	Low	189 Å²	189	139 Å²	139	88%	0.875	82%	0.823	S	S	*	*			trans	50.5	135.8	146.8	-73.1	-63	0	0	0	125.2
13	S	51.6	Low	51.4	Low	117 Å²	117	140.5 Å²	140.5	82%	0.818	82%	0.817	S	S	*	*			trans	-145.5	139	149.2	25.4	0	0	0	0	110.3
14	P	53.6	Low	52	Low	125 Å²	125	140.5 Å²	140.5	81%	0.812	81%	0.809	S	S	*	*			trans	-114.5	153.4	-174.1	39.1	-29	0	0	0	116.6
15	D	50.9	Low	52.4	Low	154 Å²	154	145.8 Å²	145.8	82%	0.824	81%	0.806	S	S	*	*			trans	28.7	156.7	145.8	-118.1	-4.7	0	0	0	122.1
16	P	48.1	Very low	53	Low	123 Å²	123	144.9 Å²	144.9	80%	0.799	80%	0.802	S	S	*	*				-157	157.9	56.5	38	-14	0	0	0	120.2
17	G	46.8	Very low	53.4	Low	70 Å²	70	142 Å²	142	72%	0.722	79%	0.79	S	S	*	*			trans	102	109.7	130.6	0	0	0	0	0	120.7
18	A	49.4	Very low	54	Low	96 Å²	96	145.2 Å²	145.2	79%	0.793	78%	0.778	S	S	*	*			trans	-174	118.2	144.3	0	0	0	0	0	113.9
19	Q	55.2	Low	55.1	Low	190 Å²	190	143.5 Å²	143.5	89%	0.888	76%	0.764	S	S	*	*			trans	47.5	139	147.9	-63.7	-177.2	-9.2	0	0	123
20	P	51.3	Low	56.3	Low	134 Å²	134	138 Å²	138	87%	0.87	75%	0.752	S	S	*	*			trans	-86.9	132.4	-177.8	34.1	-28.4	0	0	0	112.8
21	A	55.7	Low	57.6	Low	76 Å²	76	129.4 Å²	129.4	63%	0.628	73%	0.734	S	S	*	*			trans	-110.9	153	-178.9	0	0	0	0	0	112.2
22	P	57.2	Low	58.5	Low	105 Å²	105	129.7 Å²	129.7	68%	0.682	73%	0.729	S	S	*	*			trans	-71.4	171.1	-156.4	32.5	-36.5	0	0	0	113.3	R24	P22-R24 PolarHBondContact O-N 3.28Å
23	P	52.7	Low	59.9	Low	113 Å²	113	125.8 Å²	125.8	73%	0.734	71%	0.714	S	S	*	*			trans	-66.1	97.3	-156.8	26	-34.3	0	0	0	113.1	R25	P23-R25 PolarHBondContact O-N 3.27Å
24	R	59.1	Low	61.2	Low	188 Å²	188	122 Å²	122	71%	0.709	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-8.8	173.7	-72.9	-179.4	171.2	177.2	-3	114.4	P22 R28	P22-R24 PolarHBondContact O-N 3.28Å; R24-R28 PolarHBondContact O-N 2.65Å
25	R	61.7	Low	62.4	Low	221 Å²	221	119 Å²	119	83%	0.834	68%	0.679	S	S	*	*	H	α-helix	trans	-67.4	-39.4	-177.7	-78.7	-170.3	174.8	-155.7	-0.2	113.5	P23 A29	P23-R25 PolarHBondContact O-N 3.27Å; R25-A29 WeakPolarHBondContact O-CB 3.42Å; R25-A29 PolarHBondContact O-N 2.78Å
26	R	61.7	Low	63.8	Low	211 Å²	211	117.2 Å²	117.2	80%	0.796	67%	0.669	S	S	*	*	H	α-helix	trans	-70.3	-41.1	-179	-81.7	-172	176.3	-176	-0.8	112.9	A29 L30	R26-A29 PolarHBondContact O-N 3.44Å; R26-L30 PolarHBondContact O-N 2.73Å; R26-L30 VanDerWaalsContact O-N 3.08Å
27	A	65.7	Low	65.5	Low	70 Å²	70	116.9 Å²	116.9	58%	0.579	66%	0.66	S	S	*	*	H	α-helix	trans	-66.3	-40.7	177.7	0	0	0	0	0	112.2	A29 L30 A31	A27-A29 VanDerWaalsContact C-N 3.35Å; A27-A29 PolarHBondContact O-N 3.15Å; A27-L30 PolarHBondContact O-N 2.79Å; A27-A31 PolarHBondContact O-N 2.7Å
28	R	68	Low	67.3	Low	178 Å²	178	116.6 Å²	116.6	67%	0.672	65%	0.651	S	S	*	*	H	α-helix	trans	-63.9	-38.5	173.5	-79	-176.3	171.8	-177	-3.4	112.5	R24 A31 L32	R24-R28 PolarHBondContact O-N 2.65Å; R28-A31 PolarHBondContact O-N 3.31Å; R28-L32 WeakPolarHBondContact O-CB 3.46Å; R28-L32 PolarHBondContact O-N 2.92Å
29	A	70	Confident	68.9	Low	56 Å²	56	114.6 Å²	114.6	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-64.1	-42.9	177.2	0	0	0	0	0	112.2	R25 R26 A27 L32 L33	R25-A29 WeakPolarHBondContact O-CB 3.42Å; R25-A29 PolarHBondContact O-N 2.78Å; R26-A29 PolarHBondContact O-N 3.44Å; A27-A29 VanDerWaalsContact C-N 3.35Å; A27-A29 PolarHBondContact O-N 3.15Å; A29-L32 PolarHBondContact O-N 2.97Å; A29-L33 WeakPolarHBondContact O-CB 3.36Å; A29-L33 PolarHBondContact O-N 3.43Å
30	L	73.3	Confident	70.2	Confident	126 Å²	126	108.3 Å²	108.3	66%	0.66	62%	0.615	S	S	*	*	H	α-helix	trans	-64.6	-41.4	175	-91.3	147.5	0	0	0	112.7	R26 A27 L33 G34	R26-L30 PolarHBondContact O-N 2.73Å; R26-L30 VanDerWaalsContact O-N 3.08Å; A27-L30 PolarHBondContact O-N 2.79Å; L30-L33 PolarHBondContact O-N 3.28Å; L30-G34 PolarHBondContact O-N 2.97Å
31	A	73.3	Confident	71.9	Confident	67 Å²	67	104.8 Å²	104.8	55%	0.554	60%	0.597	S	S	*	*	H	α-helix	trans	-65	-40.9	176	0	0	0	0	0	112.2	A27 R28 G34 A35	A27-A31 PolarHBondContact O-N 2.7Å; R28-A31 PolarHBondContact O-N 3.31Å; A31-G34 PolarHBondContact O-N 3.33Å; A31-A35 WeakPolarHBondContact O-CB 3.36Å; A31-A35 PolarHBondContact O-N 2.88Å
32	L	74.5	Confident	73.4	Confident	114 Å²	114	104.1 Å²	104.1	60%	0.597	59%	0.592	S	S	*	*	H	α-helix	trans	-62.7	-40.8	172.8	-89.4	154.4	0	0	0	111.8	R28 A29 A35 L36	R28-L32 WeakPolarHBondContact O-CB 3.46Å; R28-L32 PolarHBondContact O-N 2.92Å; A29-L32 PolarHBondContact O-N 2.97Å; L32-A35 PolarHBondContact O-N 3.43Å; L32-L36 WeakPolarHBondContact O-CB 3.37Å; L32-L36 WeakPolarHBondContact O-CG 3.22Å; L32-L36 PolarHBondContact O-N 3.32Å
33	L	78.7	Confident	74.8	Confident	107 Å²	107	103.5 Å²	103.5	56%	0.56	59%	0.586	S	S	*	*	H	α-helix	trans	-64.3	-42.8	176.4	-145.2	95.4	0	0	0	111.6	A29 L30 L36 L37	A29-L33 WeakPolarHBondContact O-CB 3.36Å; A29-L33 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 2.91Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.24Å
34	G	77.9	Confident	76.4	Confident	39 Å²	39	101 Å²	101	40%	0.402	57%	0.574	S	S	.	*	H	α-helix	trans	-64	-41.6	175.5	0	0	0	0	0	112.9	L30 A31 L37 A38	L30-G34 PolarHBondContact O-N 2.97Å; A31-G34 PolarHBondContact O-N 3.33Å; G34-L37 PolarHBondContact O-N 2.84Å; G34-A38 PolarHBondContact O-N 3.12Å
35	A	79.1	Confident	77.8	Confident	60 Å²	60	94.7 Å²	94.7	50%	0.496	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-40	175.1	0	0	0	0	0	112.3	A31 L32 A38 A39	A31-A35 WeakPolarHBondContact O-CB 3.36Å; A31-A35 PolarHBondContact O-N 2.88Å; L32-A35 PolarHBondContact O-N 3.43Å; A35-A38 PolarHBondContact O-N 2.7Å; A35-A39 WeakPolarHBondContact O-CB 3.28Å; A35-A39 PolarHBondContact O-N 3.39Å
36	L	81	Confident	78.8	Confident	117 Å²	117	87.1 Å²	87.1	61%	0.613	55%	0.548	S	S	*	.	H	α-helix	trans	-63.3	-41.5	174.5	-81.8	161.8	0	0	0	112.1	L32 L33 A39 A40	L32-L36 WeakPolarHBondContact O-CB 3.37Å; L32-L36 WeakPolarHBondContact O-CG 3.22Å; L32-L36 PolarHBondContact O-N 3.32Å; L33-L36 PolarHBondContact O-N 2.91Å; L36-A39 PolarHBondContact O-N 3.07Å; L36-A40 WeakPolarHBondContact O-CB 3.36Å; L36-A40 PolarHBondContact O-N 2.69Å
37	L	84.2	Confident	80	Confident	116 Å²	116	86.1 Å²	86.1	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-65.5	-42.2	175.9	-75.8	166.6	0	0	0	112.2	L33 G34 A40 A41	L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.24Å; G34-L37 PolarHBondContact O-N 2.84Å; L37-A40 PolarHBondContact O-N 2.94Å; L37-A41 WeakPolarHBondContact O-CB 3.5Å; L37-A41 PolarHBondContact O-N 2.97Å
38	A	84	Confident	81	Confident	64 Å²	64	85.5 Å²	85.5	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-41.9	176	0	0	0	0	0	112	G34 A35 A41 A42	G34-A38 PolarHBondContact O-N 3.12Å; A35-A38 PolarHBondContact O-N 2.7Å; A38-A41 PolarHBondContact O-N 3.2Å; A38-A42 PolarHBondContact O-N 3.44Å
39	A	82.5	Confident	81.8	Confident	55 Å²	55	81.3 Å²	81.3	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-63.4	-42.7	174.6	0	0	0	0	0	111.8	A35 L36 A41 A42 V43	A35-A39 WeakPolarHBondContact O-CB 3.28Å; A35-A39 PolarHBondContact O-N 3.39Å; L36-A39 PolarHBondContact O-N 3.07Å; A39-A41 PolarHBondContact O-N 2.85Å; A39-A42 PolarHBondContact O-N 3.25Å; A39-V43 WeakPolarHBondContact O-CG2 3.47Å; A39-V43 PolarHBondContact O-N 2.98Å
40	A	83.6	Confident	82.4	Confident	58 Å²	58	81 Å²	81	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-40.9	175.8	0	0	0	0	0	112.3	L36 L37 V43 A44	L36-A40 WeakPolarHBondContact O-CB 3.36Å; L36-A40 PolarHBondContact O-N 2.69Å; L37-A40 PolarHBondContact O-N 2.94Å; A40-V43 PolarHBondContact O-N 3.39Å; A40-A44 WeakPolarHBondContact O-CB 3.27Å; A40-A44 PolarHBondContact O-N 2.89Å
41	A	86.6	Confident	83	Confident	60 Å²	60	80.7 Å²	80.7	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-41.4	175.7	0	0	0	0	0	112.4	L37 A38 A39 A44 A45	L37-A41 WeakPolarHBondContact O-CB 3.5Å; L37-A41 PolarHBondContact O-N 2.97Å; A38-A41 PolarHBondContact O-N 3.2Å; A39-A41 PolarHBondContact O-N 2.85Å; A41-A44 PolarHBondContact O-N 3.33Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.81Å
42	A	85.8	Confident	83.6	Confident	62 Å²	62	82.7 Å²	82.7	51%	0.512	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-41.9	176	0	0	0	0	0	112.2	A38 A39 A45 A46	A38-A42 PolarHBondContact O-N 3.44Å; A39-A42 PolarHBondContact O-N 3.25Å; A42-A45 PolarHBondContact O-N 3.46Å; A42-A46 WeakPolarHBondContact O-CB 3.36Å; A42-A46 PolarHBondContact O-N 3.02Å
43	V	86.4	Confident	83.9	Confident	91 Å²	91	79.8 Å²	79.8	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-40.6	175.1	172	0	0	0	0	111.3	A39 A40 A46 R47	A39-V43 WeakPolarHBondContact O-CG2 3.47Å; A39-V43 PolarHBondContact O-N 2.98Å; A40-V43 PolarHBondContact O-N 3.39Å; V43-A46 PolarHBondContact O-N 3.05Å; V43-R47 WeakPolarHBondContact O-CB 3.32Å; V43-R47 PolarHBondContact O-N 3.49Å
44	A	86.4	Confident	84	Confident	60 Å²	60	79.7 Å²	79.7	50%	0.496	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-43	176	0	0	0	0	0	112.1	A40 A41 R47 A48	A40-A44 WeakPolarHBondContact O-CB 3.27Å; A40-A44 PolarHBondContact O-N 2.89Å; A41-A44 PolarHBondContact O-N 3.33Å; A44-R47 PolarHBondContact O-N 3.46Å; A44-A48 WeakPolarHBondContact O-CB 3.44Å; A44-A48 PolarHBondContact O-N 3.39Å
45	A	88.6	Confident	84.2	Confident	57 Å²	57	80.8 Å²	80.8	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176	0	0	0	0	0	112	A41 A42 R47 A48 C49	A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.81Å; A42-A45 PolarHBondContact O-N 3.46Å; A45-R47 PolarHBondContact O-N 2.97Å; A45-A48 PolarHBondContact O-N 3.38Å; A45-C49 PolarHBondContact O-N 3.18Å; A45-C49 PolarHBondContact O-SG 3.01Å
46	A	84.4	Confident	84.4	Confident	62 Å²	62	82.9 Å²	82.9	51%	0.512	53%	0.529	S	S	.	.	H	α-helix	trans	-61.2	-42.2	176.2	0	0	0	0	0	112.1	A42 V43 C49 A50	A42-A46 WeakPolarHBondContact O-CB 3.36Å; A42-A46 PolarHBondContact O-N 3.02Å; V43-A46 PolarHBondContact O-N 3.05Å; A46-C49 PolarHBondContact O-N 3.07Å; A46-A50 PolarHBondContact O-N 3.49Å
47	R	86.3	Confident	84.4	Confident	189 Å²	189	79.8 Å²	79.8	71%	0.713	52%	0.521	S	S	*	.	H	α-helix	trans	-62.7	-41.3	172.9	-95.1	-175.3	163.2	-180	-4.9	112.6	V43 A44 A45 A50 L51	V43-R47 WeakPolarHBondContact O-CB 3.32Å; V43-R47 PolarHBondContact O-N 3.49Å; A44-R47 PolarHBondContact O-N 3.46Å; A45-R47 PolarHBondContact O-N 2.97Å; R47-A50 PolarHBondContact O-N 3.23Å; R47-L51 WeakPolarHBondContact O-CG 3.39Å; R47-L51 PolarHBondContact O-N 2.97Å
48	A	85.9	Confident	84.2	Confident	57 Å²	57	77 Å²	77	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-41.6	177.3	0	0	0	0	0	111.8	A44 A45 L51 L52	A44-A48 WeakPolarHBondContact O-CB 3.44Å; A44-A48 PolarHBondContact O-N 3.39Å; A45-A48 PolarHBondContact O-N 3.38Å; A48-L51 PolarHBondContact O-N 3.5Å; A48-L52 WeakPolarHBondContact O-CB 3.33Å; A48-L52 PolarHBondContact O-N 3.31Å
49	C	86	Confident	84.2	Confident	90 Å²	90	76.7 Å²	76.7	61%	0.608	51%	0.512	S	S	*	.	H	α-helix	trans	-63.5	-43	174.2	-71.4	0	0	0	0	112.3	A45 A46 L52 A53	A45-C49 PolarHBondContact O-N 3.18Å; A45-C49 PolarHBondContact O-SG 3.01Å; A46-C49 PolarHBondContact O-N 3.07Å; C49-L52 PolarHBondContact O-N 3.48Å; C49-A53 PolarHBondContact O-N 3.4Å
50	A	83	Confident	84.2	Confident	49 Å²	49	80.7 Å²	80.7	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-46.9	176.1	0	0	0	0	0	111.8	A46 R47 L52 A53 D54	A46-A50 PolarHBondContact O-N 3.49Å; R47-A50 PolarHBondContact O-N 3.23Å; A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.14Å; A50-A53 PolarHBondContact O-N 2.87Å; A50-D54 VanDerWaalsContact O-CG 3.3Å; A50-D54 PolarHBondContact O-N 2.99Å
51	L	84.8	Confident	84	Confident	120 Å²	120	83.3 Å²	83.3	63%	0.628	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-34.1	176.9	-71.7	172.7	0	0	0	113	R47 A48 A55	R47-L51 WeakPolarHBondContact O-CG 3.39Å; R47-L51 PolarHBondContact O-N 2.97Å; A48-L51 PolarHBondContact O-N 3.5Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.44Å
52	L	85.9	Confident	83.8	Confident	110 Å²	110	85.6 Å²	85.6	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-72.8	-37	178.4	-152.6	120.7	0	0	0	111.7	A48 C49 A50 Q56	A48-L52 WeakPolarHBondContact O-CB 3.33Å; A48-L52 PolarHBondContact O-N 3.31Å; C49-L52 PolarHBondContact O-N 3.48Å; A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.14Å; L52-Q56 WeakPolarHBondContact O-CG 3.24Å; L52-Q56 PolarHBondContact O-N 2.93Å; L52-Q56 VanDerWaalsContact O-N 3.1Å
53	A	82	Confident	83.8	Confident	52 Å²	52	86 Å²	86	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-65.8	-44.5	172.8	0	0	0	0	0	111.4	C49 A50 A55 Q56 A57	C49-A53 PolarHBondContact O-N 3.4Å; A50-A53 PolarHBondContact O-N 2.87Å; A53-A55 VanDerWaalsContact C-N 3.35Å; A53-A55 PolarHBondContact O-N 3.14Å; A53-Q56 PolarHBondContact O-N 2.88Å; A53-A57 PolarHBondContact O-N 2.85Å
54	D	80.1	Confident	83.5	Confident	106 Å²	106	82.2 Å²	82.2	57%	0.567	50%	0.495	S	S	*	.	H	α-helix	trans	-60.8	-42.7	176.4	-68.8	-17.3	0	0	0	111.5	A50 Q56 A57 A58	A50-D54 VanDerWaalsContact O-CG 3.3Å; A50-D54 PolarHBondContact O-N 2.99Å; D54-Q56 PolarHBondContact O-N 3.01Å; D54-A57 PolarHBondContact O-N 3.14Å; D54-A58 WeakPolarHBondContact O-CB 3.49Å; D54-A58 PolarHBondContact O-N 2.82Å
55	A	82	Confident	83.2	Confident	62 Å²	62	83.2 Å²	83.2	51%	0.512	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-37.1	176.8	0	0	0	0	0	112.6	L51 A53 A59	L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.44Å; A53-A55 VanDerWaalsContact C-N 3.35Å; A53-A55 PolarHBondContact O-N 3.14Å; A55-A59 WeakPolarHBondContact O-CB 3.47Å; A55-A59 PolarHBondContact O-N 2.71Å; A55-A59 VanDerWaalsContact O-N 3.11Å
56	Q	84	Confident	82.8	Confident	103 Å²	103	87.9 Å²	87.9	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-68.9	-40.8	175.2	-75.5	178.6	-7.8	0	0	112.1	L52 A53 D54 A59 R60	L52-Q56 WeakPolarHBondContact O-CG 3.24Å; L52-Q56 PolarHBondContact O-N 2.93Å; L52-Q56 VanDerWaalsContact O-N 3.1Å; A53-Q56 PolarHBondContact O-N 2.88Å; D54-Q56 PolarHBondContact O-N 3.01Å; Q56-A59 PolarHBondContact O-N 3.36Å; Q56-R60 WeakPolarHBondContact O-CG 3.47Å; Q56-R60 PolarHBondContact O-N 3.08Å; Q56-R60 VanDerWaalsContact O-N 3.14Å
57	A	80.3	Confident	82.7	Confident	53 Å²	53	90.4 Å²	90.4	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-46.5	175.5	0	0	0	0	0	111.4	A53 D54 A59 R60 Q61	A53-A57 PolarHBondContact O-N 2.85Å; D54-A57 PolarHBondContact O-N 3.14Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A59 PolarHBondContact O-N 2.85Å; A57-R60 PolarHBondContact O-N 3.05Å; A57-Q61 PolarHBondContact O-N 2.97Å
58	A	80.1	Confident	82.4	Confident	57 Å²	57	84.8 Å²	84.8	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-59.8	-41.8	176.9	0	0	0	0	0	112.6	D54 R60 Q61 E62	D54-A58 WeakPolarHBondContact O-CB 3.49Å; D54-A58 PolarHBondContact O-N 2.82Å; A58-R60 PolarHBondContact O-N 2.8Å; A58-Q61 PolarHBondContact O-N 3.33Å; A58-E62 PolarHBondContact O-N 3.06Å
59	A	84.1	Confident	82.1	Confident	58 Å²	58	83.7 Å²	83.7	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-37.6	177.4	0	0	0	0	0	112.8	A55 Q56 A57 S63	A55-A59 WeakPolarHBondContact O-CB 3.47Å; A55-A59 PolarHBondContact O-N 2.71Å; A55-A59 VanDerWaalsContact O-N 3.11Å; Q56-A59 PolarHBondContact O-N 3.36Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A59 PolarHBondContact O-N 2.85Å; A59-S63 PolarHBondContact O-N 3.2Å; A59-S63 VanDerWaalsContact O-N 3.1Å
60	R	81.5	Confident	81.6	Confident	139 Å²	139	84.2 Å²	84.2	53%	0.525	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-43.1	175	-70.8	179.2	-162.6	171.2	6	111.5	Q56 A57 A58 S63 A64	Q56-R60 WeakPolarHBondContact O-CG 3.47Å; Q56-R60 PolarHBondContact O-N 3.08Å; Q56-R60 VanDerWaalsContact O-N 3.14Å; A57-R60 PolarHBondContact O-N 3.05Å; A58-R60 PolarHBondContact O-N 2.8Å; R60-S63 WeakPolarHBondContact O-CB 3.29Å; R60-S63 PolarHBondContact O-N 2.93Å; R60-A64 WeakPolarHBondContact O-CB 3.39Å; R60-A64 PolarHBondContact O-N 3.08Å
61	Q	79.4	Confident	80.9	Confident	112 Å²	112	88.1 Å²	88.1	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-66.9	-38.4	-179.8	-164.9	165.6	0.4	0	0	112.1	A57 A58 A64 L65 L73	A57-Q61 PolarHBondContact O-N 2.97Å; A58-Q61 PolarHBondContact O-N 3.33Å; Q61-A64 PolarHBondContact O-N 3.3Å; Q61-L65 WeakPolarHBondContact O-CB 3.5Å; Q61-L65 PolarHBondContact O-N 3.27Å; Q61-L73 HydrophobicContact CG-CD2 4.24Å
62	E	83	Confident	80.5	Confident	109 Å²	109	83.4 Å²	83.4	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-39.8	173.3	-162.4	-165	143.1	0	0	112	A58 L65 K66	A58-E62 PolarHBondContact O-N 3.06Å; E62-L65 PolarHBondContact O-N 3.43Å; E62-K66 PolarHBondContact O-N 2.93Å; E62-K66 IonicContact OE1-NZ 2.65Å; E62-K66 PolarHBondContact OE1-NZ 3.39Å
63	S	84.7	Confident	80.2	Confident	69 Å²	69	78.9 Å²	78.9	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-41.8	174.4	-171.6	0	0	0	0	111.7	A59 R60 K66 V67	A59-S63 PolarHBondContact O-N 3.2Å; A59-S63 VanDerWaalsContact O-N 3.1Å; R60-S63 WeakPolarHBondContact O-CB 3.29Å; R60-S63 PolarHBondContact O-N 2.93Å; S63-K66 PolarHBondContact O-N 2.93Å; S63-V67 WeakPolarHBondContact O-CG2 3.2Å; S63-V67 PolarHBondContact O-N 2.94Å; S63-V67 VanDerWaalsContact O-N 3.16Å
64	A	80.6	Confident	80	Confident	12 Å²	12	84 Å²	84	10%	0.099	47%	0.473	C	S	.	.	H	α-helix	trans	-67.9	-39.5	178.3	0	0	0	0	0	111.9	R60 Q61 K66 V67 L68 L73 M85	R60-A64 WeakPolarHBondContact O-CB 3.39Å; R60-A64 PolarHBondContact O-N 3.08Å; Q61-A64 PolarHBondContact O-N 3.3Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 3.39Å; A64-V67 PolarHBondContact O-N 2.98Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 PolarHBondContact O-N 3.43Å; A64-L73 HydrophobicContact CB-CD1 3.51Å; A64-M85 HydrophobicContact CB-CE 3.39Å
65	L	80.8	Confident	79.8	Confident	81 Å²	81	83.5 Å²	83.5	42%	0.424	47%	0.469	S	S	.	.	H	α-helix	trans	-58.8	-41.5	172.4	-167.9	83.1	0	0	0	111.7	Q61 E62 V67 G69 T70 L73	Q61-L65 WeakPolarHBondContact O-CB 3.5Å; Q61-L65 PolarHBondContact O-N 3.27Å; E62-L65 PolarHBondContact O-N 3.43Å; L65-V67 VanDerWaalsContact C-N 3.33Å; L65-V67 PolarHBondContact O-N 3.3Å; L65-G69 WeakPolarHBondContact O-CA 3.45Å; L65-G69 PolarHBondContact O-N 2.93Å; L65-T70 HydrophobicContact CD1-CG2 4.26Å; L65-L73 HydrophobicContact CB-CD2 3.95Å; L65-L73 HydrophobicContact CD1-CB 4.46Å; L65-L73 HydrophobicContact CD1-CD2 3.54Å; L65-L73 HydrophobicContact CG-CD2 4.38Å
66	K	80.2	Confident	79.9	Confident	155 Å²	155	82.6 Å²	82.6	67%	0.674	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-33.1	177.2	-83.7	174.1	176	147.6	0	113.4	E62 S63 A64	E62-K66 PolarHBondContact O-N 2.93Å; E62-K66 IonicContact OE1-NZ 2.65Å; E62-K66 PolarHBondContact OE1-NZ 3.39Å; S63-K66 PolarHBondContact O-N 2.93Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 3.39Å
67	V	82	Confident	79.7	Confident	115 Å²	115	80.5 Å²	80.5	70%	0.697	45%	0.451	S	S	*	.	H	α-helix	trans	-87.1	-44.8	-176.6	173.4	0	0	0	0	111.9	S63 A64 L65	S63-V67 WeakPolarHBondContact O-CG2 3.2Å; S63-V67 PolarHBondContact O-N 2.94Å; S63-V67 VanDerWaalsContact O-N 3.16Å; A64-V67 PolarHBondContact O-N 2.98Å; L65-V67 VanDerWaalsContact C-N 3.33Å; L65-V67 PolarHBondContact O-N 3.3Å
68	L	80.1	Confident	79.7	Confident	72 Å²	72	81.3 Å²	81.3	38%	0.377	45%	0.454	S	S	.	.	H	α-helix	trans	-94.5	-15.2	-171.4	-63.3	172.1	0	0	0	113.4	A64 G72 L73 F76	A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 PolarHBondContact O-N 3.43Å; L68-G72 WeakPolarHBondContact O-CA 3.35Å; L68-G72 PolarHBondContact O-N 2.92Å; L68-L73 HydrophobicContact CD1-CD1 4.41Å; L68-F76 HydrophobicContact CD1-CB 3.78Å; L68-F76 HydrophobicContact CD1-CD2 4.16Å; L68-F76 HydrophobicContact CD1-CG 3.98Å
69	G	80.4	Confident	79.8	Confident	34 Å²	34	79.9 Å²	79.9	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	69.4	-179.6	-165.1	0	0	0	0	0	112	L65 L73	L65-G69 WeakPolarHBondContact O-CA 3.45Å; L65-G69 PolarHBondContact O-N 2.93Å; G69-L73 VanDerWaalsContact O-CB 3.27Å; G69-L73 WeakPolarHBondContact O-CB 3.39Å; G69-L73 PolarHBondContact O-N 3.46Å
70	T	75	Confident	79.8	Confident	101 Å²	101	77.5 Å²	77.5	62%	0.62	42%	0.417	S	S	*	.	H	α-helix	trans	-62.3	-47	179.7	44.6	0	0	0	0	112	L65 L73 F74	L65-T70 HydrophobicContact CD1-CG2 4.26Å; T70-L73 PolarHBondContact O-N 2.98Å; T70-F74 WeakPolarHBondContact O-CB 3.23Å; T70-F74 PolarHBondContact O-N 2.89Å
71	D	68.3	Low	79.8	Confident	130 Å²	130	76.2 Å²	76.2	70%	0.695	43%	0.425	S	S	*	.	H	α-helix	trans	-73.8	-39.9	-173.2	-56.4	-11.8	0	0	0	110.8	F74 L75	D71-F74 PolarHBondContact O-N 3.28Å; D71-L75 PolarHBondContact O-N 3.04Å
72	G	75.6	Confident	80.1	Confident	22 Å²	22	75.7 Å²	75.7	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-67.2	-38.3	175.6	0	0	0	0	0	112.3	L68 F74 L75 F76	L68-G72 WeakPolarHBondContact O-CA 3.35Å; L68-G72 PolarHBondContact O-N 2.92Å; G72-F74 VanDerWaalsContact C-N 3.34Å; G72-L75 PolarHBondContact O-N 3.07Å; G72-F76 VanDerWaalsContact O-CB 3.25Å; G72-F76 WeakPolarHBondContact O-CB 3.42Å; G72-F76 PolarHBondContact O-N 3.16Å
73	L	80.6	Confident	80	Confident	14 Å²	14	78.5 Å²	78.5	7%	0.073	44%	0.438	C	S	.	.	H	α-helix	trans	-65.9	-39	174.6	-175.4	65.6	0	0	0	111.3	Q61 A64 L65 L68 G69 T70 S77	Q61-L73 HydrophobicContact CG-CD2 4.24Å; A64-L73 HydrophobicContact CB-CD1 3.51Å; L65-L73 HydrophobicContact CB-CD2 3.95Å; L65-L73 HydrophobicContact CD1-CB 4.46Å; L65-L73 HydrophobicContact CD1-CD2 3.54Å; L65-L73 HydrophobicContact CG-CD2 4.38Å; L68-L73 HydrophobicContact CD1-CD1 4.41Å; G69-L73 VanDerWaalsContact O-CB 3.27Å; G69-L73 WeakPolarHBondContact O-CB 3.39Å; G69-L73 PolarHBondContact O-N 3.46Å; T70-L73 PolarHBondContact O-N 2.98Å; L73-S77 VanDerWaalsContact O-CB 3.28Å; L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 3.37Å; L73-S77 PolarHBondContact O-OG 2.92Å
74	F	77	Confident	80.1	Confident	160 Å²	160	79.1 Å²	79.1	70%	0.702	44%	0.436	S	S	*	.	H	α-helix	trans	-63.4	-48.1	175.6	179.5	-95.9	0	0	0	111.6	T70 D71 G72 F76 S77 S78	T70-F74 WeakPolarHBondContact O-CB 3.23Å; T70-F74 PolarHBondContact O-N 2.89Å; D71-F74 PolarHBondContact O-N 3.28Å; G72-F74 VanDerWaalsContact C-N 3.34Å; F74-F76 PolarHBondContact O-N 2.9Å; F74-S77 PolarHBondContact O-N 2.96Å; F74-S78 WeakPolarHBondContact O-CB 3.49Å; F74-S78 PolarHBondContact O-N 2.98Å
75	L	76.9	Confident	80.2	Confident	95 Å²	95	81.8 Å²	81.8	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-59.9	-47.6	176.3	179	63	0	0	0	111.2	D71 G72 S77 S78 L79	D71-L75 PolarHBondContact O-N 3.04Å; G72-L75 PolarHBondContact O-N 3.07Å; L75-S77 PolarHBondContact O-N 3.45Å; L75-S78 PolarHBondContact O-N 3.33Å; L75-S78 VanDerWaalsContact O-N 3.15Å; L75-S78 PolarHBondContact O-OG 3.37Å; L75-L79 HydrophobicContact CD1-CD1 4.39Å; L75-L79 HydrophobicContact CG-CD1 4.26Å; L75-L79 WeakPolarHBondContact O-CD1 3.44Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.03Å
76	F	82.6	Confident	80.4	Confident	43 Å²	43	85 Å²	85	19%	0.189	46%	0.455	C	S	.	.	H	α-helix	trans	-56.7	-51.2	176.8	-176.3	-81.4	0	0	0	111.4	L68 G72 F74 S78 L79 D80 M85 I87	L68-F76 HydrophobicContact CD1-CB 3.78Å; L68-F76 HydrophobicContact CD1-CD2 4.16Å; L68-F76 HydrophobicContact CD1-CG 3.98Å; G72-F76 VanDerWaalsContact O-CB 3.25Å; G72-F76 WeakPolarHBondContact O-CB 3.42Å; G72-F76 PolarHBondContact O-N 3.16Å; F74-F76 PolarHBondContact O-N 2.9Å; F76-S78 PolarHBondContact O-N 2.93Å; F76-L79 PolarHBondContact O-N 2.73Å; F76-D80 HydrophobicContact CD1-CB 4.23Å; F76-D80 HydrophobicContact CE1-CB 3.85Å; F76-D80 WeakPolarHBondContact O-CB 3.4Å; F76-D80 PolarHBondContact O-N 3.33Å; F76-M85 HydrophobicContact CE1-CE 4.33Å; F76-M85 HydrophobicContact CE1-SD 4.25Å; F76-M85 VanDerWaalsContact CZ-C 3.48Å; F76-M85 WeakPolarHBondContact CZ-O 3.46Å; F76-I87 HydrophobicContact CD2-CD1 4.21Å; F76-I87 HydrophobicContact CD2-CG1 4.02Å; F76-I87 HydrophobicContact CE1-CD1 4.33Å; F76-I87 HydrophobicContact CE2-CD1 3.95Å; F76-I87 HydrophobicContact CE2-CG1 3.58Å; F76-I87 HydrophobicContact CZ-CD1 3.99Å; F76-I87 HydrophobicContact CZ-CG1 4Å
77	S	80.9	Confident	80.6	Confident	60 Å²	60	79.2 Å²	79.2	42%	0.42	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-21.7	180	-52.2	0	0	0	0	113.1	L73 F74 L75 L79	L73-S77 VanDerWaalsContact O-CB 3.28Å; L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 3.37Å; L73-S77 PolarHBondContact O-OG 2.92Å; F74-S77 PolarHBondContact O-N 2.96Å; L75-S77 PolarHBondContact O-N 3.45Å; S77-L79 VanDerWaalsContact C-N 3.31Å
78	S	79.3	Confident	80.8	Confident	70 Å²	70	75 Å²	75	49%	0.49	41%	0.407	S	S	.	.	H	α-helix	trans	-78.1	-17	175.5	77.1	0	0	0	0	113.6	F74 L75 F76	F74-S78 WeakPolarHBondContact O-CB 3.49Å; F74-S78 PolarHBondContact O-N 2.98Å; L75-S78 PolarHBondContact O-N 3.33Å; L75-S78 VanDerWaalsContact O-N 3.15Å; L75-S78 PolarHBondContact O-OG 3.37Å; F76-S78 PolarHBondContact O-N 2.93Å
79	L	82.7	Confident	81	Confident	26 Å²	26	76 Å²	76	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-102.4	-39.7	-179.5	-60.8	158.2	0	0	0	111.5	L75 F76 S77 T81 I87 E91 I95	L75-L79 HydrophobicContact CD1-CD1 4.39Å; L75-L79 HydrophobicContact CG-CD1 4.26Å; L75-L79 WeakPolarHBondContact O-CD1 3.44Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.03Å; F76-L79 PolarHBondContact O-N 2.73Å; S77-L79 VanDerWaalsContact C-N 3.31Å; L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 3.19Å; L79-T81 PolarHBondContact O-OG1 3.28Å; L79-I87 HydrophobicContact CB-CD1 3.6Å; L79-E91 WeakPolarHBondContact O-CB 3.47Å; L79-E91 WeakPolarHBondContact O-CG 3.39Å; L79-I95 HydrophobicContact CD1-CD1 3.22Å; L79-I95 HydrophobicContact CD1-CG1 4.4Å; L79-I95 HydrophobicContact CD2-CD1 3.47Å; L79-I95 VanDerWaalsContact CD2-CD1 3.47Å; L79-I95 HydrophobicContact CD2-CG1 3.75Å; L79-I95 HydrophobicContact CG-CD1 3.92Å
80	D	85.3	Confident	81.1	Confident	8 Å²	8	81.1 Å²	81.1	4%	0.043	43%	0.432	C	S	.	.			trans	-67.7	83.4	175.2	-177.5	3.5	0	0	0	109.6	F76 Q83 D84 M85 I87	F76-D80 HydrophobicContact CD1-CB 4.23Å; F76-D80 HydrophobicContact CE1-CB 3.85Å; F76-D80 WeakPolarHBondContact O-CB 3.4Å; F76-D80 PolarHBondContact O-N 3.33Å; D80-Q83 WeakPolarHBondContact OD1-CA 3.38Å; D80-Q83 PolarHBondContact OD1-N 3.39Å; D80-D84 PolarHBondContact OD1-N 2.78Å; D80-M85 WeakPolarHBondContact OD2-CA 3.42Å; D80-M85 PolarHBondContact OD2-N 2.84Å; D80-I87 HydrophobicContact CB-CD1 3.69Å
81	T	80.4	Confident	81.5	Confident	112 Å²	112	77.3 Å²	77.3	69%	0.687	41%	0.408	S	S	*	.	S	Bend	trans	-77.7	-29.6	-170.9	-47.4	0	0	0	0	110.7	L79 E91	L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 3.19Å; L79-T81 PolarHBondContact O-OG1 3.28Å; T81-E91 WeakPolarHBondContact CA-OE1 3.49Å; T81-E91 WeakPolarHBondContact CB-OE1 3.21Å; T81-E91 PolarHBondContact N-OE1 3.4Å
82	D	86.6	Confident	82.3	Confident	102 Å²	102	75.4 Å²	75.4	55%	0.545	39%	0.394	S	S	.	.	S	Bend	trans	-93.5	-2.7	176.3	73.3	11	0	0	0	114.3	D84 E91	D82-D84 PolarHBondContact O-N 3.21Å; D82-D84 VanDerWaalsContact OD1-CB 3.27Å; D82-D84 WeakPolarHBondContact OD1-CB 3.4Å; D82-D84 PolarHBondContact OD1-N 3.39Å; D82-E91 PolarHBondContact N-OE1 2.88Å
83	Q	80.9	Confident	82.2	Confident	167 Å²	167	80.1 Å²	80.1	78%	0.78	41%	0.408	S	S	*	.			trans	61.5	30.4	175.6	-56.1	-178.6	-4	0	0	112.9	D80 M85	D80-Q83 WeakPolarHBondContact OD1-CA 3.38Å; D80-Q83 PolarHBondContact OD1-N 3.39Å; Q83-M85 VanDerWaalsContact C-N 3.29Å
84	D	86.2	Confident	81.7	Confident	82 Å²	82	83.2 Å²	83.2	44%	0.439	43%	0.428	S	S	.	.	S	Bend	trans	-85.8	-0.7	-179.7	84.4	-8.1	0	0	0	113.5	D80 D82 Y86	D80-D84 PolarHBondContact OD1-N 2.78Å; D82-D84 PolarHBondContact O-N 3.21Å; D82-D84 VanDerWaalsContact OD1-CB 3.27Å; D82-D84 WeakPolarHBondContact OD1-CB 3.4Å; D82-D84 PolarHBondContact OD1-N 3.39Å; D84-Y86 VanDerWaalsContact C-N 3.27Å; D84-Y86 VanDerWaalsContact OD1-CA 3.31Å; D84-Y86 WeakPolarHBondContact OD1-CA 3.37Å; D84-Y86 WeakPolarHBondContact OD1-CB 3.34Å; D84-Y86 PolarHBondContact OD1-N 2.85Å
85	M	81.7	Confident	81.4	Confident	68 Å²	68	77.4 Å²	77.4	34%	0.335	40%	0.404	S	S	.	.	S	Bend	trans	65.9	24.8	-174.6	-64.1	-72.6	-56.9	0	0	113.8	A64 F76 D80 Q83	A64-M85 HydrophobicContact CB-CE 3.39Å; F76-M85 HydrophobicContact CE1-CE 4.33Å; F76-M85 HydrophobicContact CE1-SD 4.25Å; F76-M85 VanDerWaalsContact CZ-C 3.48Å; F76-M85 WeakPolarHBondContact CZ-O 3.46Å; D80-M85 WeakPolarHBondContact OD2-CA 3.42Å; D80-M85 PolarHBondContact OD2-N 2.84Å; Q83-M85 VanDerWaalsContact C-N 3.29Å
86	Y	86.1	Confident	81.1	Confident	150 Å²	150	74.1 Å²	74.1	59%	0.588	39%	0.391	S	S	*	.	S	Bend	trans	-129.7	154.1	172.2	-175.1	-99.2	0	0	0	108.9	D84	D84-Y86 VanDerWaalsContact C-N 3.27Å; D84-Y86 VanDerWaalsContact OD1-CA 3.31Å; D84-Y86 WeakPolarHBondContact OD1-CA 3.37Å; D84-Y86 WeakPolarHBondContact OD1-CB 3.34Å; D84-Y86 PolarHBondContact OD1-N 2.85Å
87	I	84.4	Confident	80.3	Confident	33 Å²	33	76.3 Å²	76.3	17%	0.169	40%	0.402	C	S	.	.			trans	-109.1	108.1	173.2	-57.7	-57.8	0	0	0	107.1	F76 L79 D80 E91 F92	F76-I87 HydrophobicContact CD2-CD1 4.21Å; F76-I87 HydrophobicContact CD2-CG1 4.02Å; F76-I87 HydrophobicContact CE1-CD1 4.33Å; F76-I87 HydrophobicContact CE2-CD1 3.95Å; F76-I87 HydrophobicContact CE2-CG1 3.58Å; F76-I87 HydrophobicContact CZ-CD1 3.99Å; F76-I87 HydrophobicContact CZ-CG1 4Å; L79-I87 HydrophobicContact CB-CD1 3.6Å; D80-I87 HydrophobicContact CB-CD1 3.69Å; I87-E91 WeakPolarHBondContact CA-OE2 3.2Å; I87-E91 HydrophobicContact CG2-CB 3.84Å; I87-F92 HydrophobicContact CG2-CB 3.81Å; I87-F92 HydrophobicContact CG2-CD2 4.28Å
88	S	86.7	Confident	79.4	Confident	26 Å²	26	78.8 Å²	78.8	18%	0.182	41%	0.405	C	S	.	.			trans	-65.3	157.8	175.5	103.7	0	0	0	0	110.9	E90 E91 F92	S88-E90 WeakPolarHBondContact CB-OE2 3.43Å; S88-E90 PolarHBondContact O-N 2.87Å; S88-E90 WeakPolarHBondContact OG-CB 3.43Å; S88-E90 PolarHBondContact OG-N 3.45Å; S88-E90 VanDerWaalsContact OG-N 3.11Å; S88-E90 PolarHBondContact OG-OE2 3.21Å; S88-E91 PolarHBondContact N-OE2 3.46Å; S88-E91 PolarHBondContact O-N 3.34Å; S88-E91 VanDerWaalsContact O-N 3.08Å; S88-E91 PolarHBondContact OG-N 2.83Å; S88-F92 WeakPolarHBondContact O-CB 3.46Å; S88-F92 PolarHBondContact O-N 3.42Å
89	P	84.3	Confident	78.5	Confident	94 Å²	94	80.4 Å²	80.4	61%	0.61	41%	0.408	S	S	*	.	H	α-helix	trans	-54	-32	172	-26.1	35.5	0	0	0	113.6	K93	P89-K93 PolarHBondContact O-N 2.85Å; P89-K93 VanDerWaalsContact O-N 3.13Å
90	E	82	Confident	77.4	Confident	140 Å²	140	82.9 Å²	82.9	65%	0.654	42%	0.424	S	S	*	.	H	α-helix	trans	-70.2	-42	175.8	-61.2	71.2	-158.3	0	0	111.8	S88 K93	S88-E90 WeakPolarHBondContact CB-OE2 3.43Å; S88-E90 PolarHBondContact O-N 2.87Å; S88-E90 WeakPolarHBondContact OG-CB 3.43Å; S88-E90 PolarHBondContact OG-N 3.45Å; S88-E90 VanDerWaalsContact OG-N 3.11Å; S88-E90 PolarHBondContact OG-OE2 3.21Å; E90-K93 WeakPolarHBondContact O-CB 3.44Å; E90-K93 PolarHBondContact O-N 3.02Å
91	E	83.8	Confident	75.9	Confident	22 Å²	22	83.3 Å²	83.3	10%	0.103	43%	0.431	C	S	.	.	H	α-helix	trans	-70.7	-31.7	175.2	-67.4	177	141.1	0	0	112.6	L79 T81 D82 I87 S88 K93 P94	L79-E91 WeakPolarHBondContact O-CB 3.47Å; L79-E91 WeakPolarHBondContact O-CG 3.39Å; T81-E91 WeakPolarHBondContact CA-OE1 3.49Å; T81-E91 WeakPolarHBondContact CB-OE1 3.21Å; T81-E91 PolarHBondContact N-OE1 3.4Å; D82-E91 PolarHBondContact N-OE1 2.88Å; I87-E91 WeakPolarHBondContact CA-OE2 3.2Å; I87-E91 HydrophobicContact CG2-CB 3.84Å; S88-E91 PolarHBondContact N-OE2 3.46Å; S88-E91 PolarHBondContact O-N 3.34Å; S88-E91 VanDerWaalsContact O-N 3.08Å; S88-E91 PolarHBondContact OG-N 2.83Å; E91-K93 VanDerWaalsContact C-N 3.28Å; E91-K93 PolarHBondContact O-N 2.88Å; E91-P94 VanDerWaalsContact O-CD 3.25Å; E91-P94 WeakPolarHBondContact O-CD 3.36Å
92	F	84.7	Confident	74.3	Confident	90 Å²	90	82 Å²	82	40%	0.395	43%	0.426	S	S	.	.	H	α-helix	trans	-74.7	-19.3	174.5	-167.5	-109.7	0	0	0	112.6	I87 S88 P94 I95 A96 L99	I87-F92 HydrophobicContact CG2-CB 3.81Å; I87-F92 HydrophobicContact CG2-CD2 4.28Å; S88-F92 WeakPolarHBondContact O-CB 3.46Å; S88-F92 PolarHBondContact O-N 3.42Å; F92-P94 VanDerWaalsContact C-CD 3.45Å; F92-I95 HydrophobicContact CD2-CB 4.14Å; F92-I95 HydrophobicContact CD2-CG2 4.16Å; F92-I95 HydrophobicContact CE2-CB 4Å; F92-I95 HydrophobicContact CE2-CG2 3.51Å; F92-I95 HydrophobicContact CZ-CB 4.4Å; F92-I95 HydrophobicContact CZ-CG2 3.72Å; F92-I95 CarbonylContact O-C 3.59Å; F92-I95 WeakPolarHBondContact O-CA 3.39Å; F92-I95 WeakPolarHBondContact O-CB 3.37Å; F92-I95 PolarHBondContact O-N 3.24Å; F92-A96 HydrophobicContact CD1-CB 3.76Å; F92-A96 HydrophobicContact CE1-CB 3.79Å; F92-A96 PolarHBondContact O-N 2.85Å; F92-L99 HydrophobicContact CZ-CD1 4.19Å
93	K	73.7	Confident	72.5	Confident	120 Å²	120	80.1 Å²	80.1	52%	0.522	42%	0.418	S	S	.	.	H	α-helix	trans	-51.4	-45.7	-173.4	-174.7	178.2	174.8	179.2	0	114	P89 E90 E91 I95 A96 E97	P89-K93 PolarHBondContact O-N 2.85Å; P89-K93 VanDerWaalsContact O-N 3.13Å; E90-K93 WeakPolarHBondContact O-CB 3.44Å; E90-K93 PolarHBondContact O-N 3.02Å; E91-K93 VanDerWaalsContact C-N 3.28Å; E91-K93 PolarHBondContact O-N 2.88Å; K93-I95 VanDerWaalsContact C-N 3.27Å; K93-I95 PolarHBondContact O-N 3.07Å; K93-A96 PolarHBondContact O-N 2.94Å; K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 HydrophobicContact CG-CG 4.38Å; K93-E97 WeakPolarHBondContact CG-OE1 3.44Å; K93-E97 WeakPolarHBondContact O-CB 3.14Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.35Å; K93-E97 PolarHBondContact O-N 3.31Å
94	P	68.6	Low	70.7	Confident	79 Å²	79	77.5 Å²	77.5	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-35.3	177.9	-20.7	34	0	0	0	112.7	E91 F92 K98	E91-P94 VanDerWaalsContact O-CD 3.25Å; E91-P94 WeakPolarHBondContact O-CD 3.36Å; F92-P94 VanDerWaalsContact C-CD 3.45Å; P94-K98 WeakPolarHBondContact O-CB 3.38Å; P94-K98 PolarHBondContact O-N 2.84Å; P94-K98 VanDerWaalsContact O-N 3.12Å
95	I	72.4	Confident	68.4	Low	38 Å²	38	79.6 Å²	79.6	20%	0.195	43%	0.431	C	S	.	.	H	α-helix	trans	-73.3	-44.7	175.3	-70.1	-172.1	0	0	0	110.8	L79 F92 K93 E97 K98 L99	L79-I95 HydrophobicContact CD1-CD1 3.22Å; L79-I95 HydrophobicContact CD1-CG1 4.4Å; L79-I95 HydrophobicContact CD2-CD1 3.47Å; L79-I95 VanDerWaalsContact CD2-CD1 3.47Å; L79-I95 HydrophobicContact CD2-CG1 3.75Å; L79-I95 HydrophobicContact CG-CD1 3.92Å; F92-I95 HydrophobicContact CD2-CB 4.14Å; F92-I95 HydrophobicContact CD2-CG2 4.16Å; F92-I95 HydrophobicContact CE2-CB 4Å; F92-I95 HydrophobicContact CE2-CG2 3.51Å; F92-I95 HydrophobicContact CZ-CB 4.4Å; F92-I95 HydrophobicContact CZ-CG2 3.72Å; F92-I95 CarbonylContact O-C 3.59Å; F92-I95 WeakPolarHBondContact O-CA 3.39Å; F92-I95 WeakPolarHBondContact O-CB 3.37Å; F92-I95 PolarHBondContact O-N 3.24Å; K93-I95 VanDerWaalsContact C-N 3.27Å; K93-I95 PolarHBondContact O-N 3.07Å; I95-E97 VanDerWaalsContact C-N 3.28Å; I95-E97 PolarHBondContact O-N 3.04Å; I95-K98 CarbonylContact O-C 3.59Å; I95-K98 PolarHBondContact O-N 3.43Å; I95-K98 VanDerWaalsContact O-N 3.08Å; I95-L99 HydrophobicContact CG2-CD1 3.43Å; I95-L99 VanDerWaalsContact CG2-CD1 3.43Å; I95-L99 HydrophobicContact CG2-CG 3.84Å; I95-L99 WeakPolarHBondContact O-CB 3.29Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.42Å; I95-L99 PolarHBondContact O-N 3.5Å
96	A	69.5	Low	66.4	Low	27 Å²	27	78.5 Å²	78.5	22%	0.223	43%	0.433	C	S	.	.	H	α-helix	trans	-56.7	-45.2	176.6	0	0	0	0	0	110.9	F92 K93 K98 L99 T100	F92-A96 HydrophobicContact CD1-CB 3.76Å; F92-A96 HydrophobicContact CE1-CB 3.79Å; F92-A96 PolarHBondContact O-N 2.85Å; K93-A96 PolarHBondContact O-N 2.94Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 3.42Å; A96-L99 PolarHBondContact O-N 2.99Å; A96-T100 VanDerWaalsContact O-CB 3.3Å; A96-T100 WeakPolarHBondContact O-CB 3.08Å; A96-T100 WeakPolarHBondContact O-CG2 3.48Å; A96-T100 PolarHBondContact O-N 3.42Å; A96-T100 PolarHBondContact O-OG1 3.36Å
97	E	65.8	Low	64	Low	88 Å²	88	77.6 Å²	77.6	41%	0.411	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-41	176.1	-72.3	173	177.9	0	0	111.5	K93 I95 G101	K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 HydrophobicContact CG-CG 4.38Å; K93-E97 WeakPolarHBondContact CG-OE1 3.44Å; K93-E97 WeakPolarHBondContact O-CB 3.14Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.35Å; K93-E97 PolarHBondContact O-N 3.31Å; I95-E97 VanDerWaalsContact C-N 3.28Å; I95-E97 PolarHBondContact O-N 3.04Å; E97-G101 PolarHBondContact O-N 3.38Å
98	K	62.4	Low	61.9	Low	112 Å²	112	82.5 Å²	82.5	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-70.8	-34.4	177.9	-162.1	170.6	-176.1	179.9	0	113.4	P94 I95 A96	P94-K98 WeakPolarHBondContact O-CB 3.38Å; P94-K98 PolarHBondContact O-N 2.84Å; P94-K98 VanDerWaalsContact O-N 3.12Å; I95-K98 CarbonylContact O-C 3.59Å; I95-K98 PolarHBondContact O-N 3.43Å; I95-K98 VanDerWaalsContact O-N 3.08Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 3.42Å
99	L	60.7	Low	59.5	Low	105 Å²	105	89.3 Å²	89.3	55%	0.55	48%	0.484	S	S	.	.	H	α-helix	trans	-84.1	-40.3	-178.6	-71.2	178.9	0	0	0	113.1	F92 I95 A96	F92-L99 HydrophobicContact CZ-CD1 4.19Å; I95-L99 HydrophobicContact CG2-CD1 3.43Å; I95-L99 VanDerWaalsContact CG2-CD1 3.43Å; I95-L99 HydrophobicContact CG2-CG 3.84Å; I95-L99 WeakPolarHBondContact O-CB 3.29Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.42Å; I95-L99 PolarHBondContact O-N 3.5Å; A96-L99 PolarHBondContact O-N 2.99Å
100	T	60.2	Low	57.6	Low	78 Å²	78	89.6 Å²	89.6	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-93.5	-14.9	-173.3	64.1	0	0	0	0	113.2	A96 S102	A96-T100 VanDerWaalsContact O-CB 3.3Å; A96-T100 WeakPolarHBondContact O-CB 3.08Å; A96-T100 WeakPolarHBondContact O-CG2 3.48Å; A96-T100 PolarHBondContact O-N 3.42Å; A96-T100 PolarHBondContact O-OG1 3.36Å; T100-S102 WeakPolarHBondContact CB-OG 3.33Å; T100-S102 PolarHBondContact O-N 2.99Å; T100-S102 PolarHBondContact O-OG 3.48Å; T100-S102 VanDerWaalsContact O-OG 3.13Å; T100-S102 WeakPolarHBondContact OG1-CB 3.33Å; T100-S102 PolarHBondContact OG1-N 2.95Å; T100-S102 PolarHBondContact OG1-OG 3.32Å
101	G	52.6	Low	55.6	Low	17 Å²	17	91.7 Å²	91.7	18%	0.175	49%	0.487	C	S	.	.			trans	58.1	13.8	-173.4	0	0	0	0	0	114	E97 V103	E97-G101 PolarHBondContact O-N 3.38Å; G101-V103 PolarHBondContact O-N 3.36Å
102	S	46.8	Very low	53.6	Low	83 Å²	83	98.1 Å²	98.1	58%	0.58	52%	0.517	S	S	*	.			trans	-90.4	86.5	-172.1	-56.1	0	0	0	0	110.2	T100	T100-S102 WeakPolarHBondContact CB-OG 3.33Å; T100-S102 PolarHBondContact O-N 2.99Å; T100-S102 PolarHBondContact O-OG 3.48Å; T100-S102 VanDerWaalsContact O-OG 3.13Å; T100-S102 WeakPolarHBondContact OG1-CB 3.33Å; T100-S102 PolarHBondContact OG1-N 2.95Å; T100-S102 PolarHBondContact OG1-OG 3.32Å
103	V	48.8	Very low	51.9	Low	64 Å²	64	99.4 Å²	99.4	39%	0.388	53%	0.528	S	S	.	.			trans	-102.3	135.6	163	-170.5	0	0	0	0	107.1	G101 V105 P210	G101-V103 PolarHBondContact O-N 3.36Å; V103-V105 PolarHBondContact O-N 2.94Å; V103-P210 HydrophobicContact CG1-CG 3.96Å
104	P	42.6	Very low	50.7	Low	112 Å²	112	99 Å²	99	73%	0.727	54%	0.538	S	S	*	.			trans	-50.8	138.7	170.8	-21	30.3	0	0	0	109.5	A106	P104-A106 PolarHBondContact O-N 2.96Å
105	V	39.2	Very low	50	Low	126 Å²	126	101.7 Å²	101.7	76%	0.764	54%	0.543	S	S	*	.			trans	-50.5	102.5	173.7	179.8	0	0	0	0	108	V103 N107	V103-V105 PolarHBondContact O-N 2.94Å; V105-N107 PolarHBondContact O-N 3.44Å; V105-N107 VanDerWaalsContact O-N 3.14Å
106	A	38.4	Very low	49.6	Very low	45 Å²	45	103.4 Å²	103.4	37%	0.372	55%	0.552	S	S	.	*			trans	-73.9	106.4	172	0	0	0	0	0	105.8	P104 Y108 P210	P104-A106 PolarHBondContact O-N 2.96Å; A106-Y108 PolarHBondContact O-N 2.99Å; A106-Y108 VanDerWaalsContact O-N 3.15Å; A106-P210 HydrophobicContact CB-CB 4.39Å; A106-P210 HydrophobicContact CB-CG 3.97Å
107	N	36.5	Very low	49.3	Very low	130 Å²	130	105.1 Å²	105.1	70%	0.695	56%	0.561	S	S	*	*			trans	-55.2	119.6	157.1	-89.4	-6.8	0	0	0	106.2	V105 E109	V105-N107 PolarHBondContact O-N 3.44Å; V105-N107 VanDerWaalsContact O-N 3.14Å; N107-E109 PolarHBondContact O-N 3.33Å
108	Y	40.5	Very low	49.4	Very low	136 Å²	136	104.8 Å²	104.8	53%	0.533	57%	0.568	S	S	.	*			trans	-69.1	69.9	169.7	-62.9	-87.4	0	0	0	108.3	A106 E110 P211 H219	A106-Y108 PolarHBondContact O-N 2.99Å; A106-Y108 VanDerWaalsContact O-N 3.15Å; Y108-E110 VanDerWaalsContact C-N 3.35Å; Y108-E110 PolarHBondContact O-N 2.98Å; Y108-P211 HydrophobicContact CE1-CG 3.88Å; Y108-H219 AromaticContact CE1-CE1 3.96Å; Y108-H219 AromaticContact CZ-CE1 3.54Å; Y108-H219 AromaticContact CZ-NE2 3.98Å; Y108-H219 PolarHBondContact OH-CE1 2.93Å; Y108-H219 PolarHBondContact OH-NE2 3.39Å; Y108-H219 VanDerWaalsContact OH-NE2 3.13Å
109	E	36.8	Very low	50.5	Low	170 Å²	170	100.4 Å²	100.4	79%	0.794	55%	0.55	S	S	*	.			trans	-77	101.4	155.2	-72.6	-177.3	178.2	0	0	104.4	N107 E111	N107-E109 PolarHBondContact O-N 3.33Å; E109-E111 PolarHBondContact O-N 3.42Å
110	E	43.8	Very low	51.9	Low	100 Å²	100	97.4 Å²	97.4	47%	0.467	53%	0.533	S	S	.	.			trans	-41	135.1	159.9	-72.4	178.6	150.6	0	0	107	Y108 E112 R220	Y108-E110 VanDerWaalsContact C-N 3.35Å; Y108-E110 PolarHBondContact O-N 2.98Å; E110-E112 HydrophobicContact CB-CB 4.44Å; E110-E112 HydrophobicContact CB-CG 3.89Å; E110-E112 PolarHBondContact O-N 3.48Å; E110-R220 IonicContact OE1-CZ 2.63Å; E110-R220 IonicContact OE1-NH1 3.96Å; E110-R220 PolarHBondContact OE1-NH1 3.33Å; E110-R220 IonicContact OE1-NH2 2.86Å; E110-R220 PolarHBondContact OE1-NH2 3.16Å
111	E	38.9	Very low	53.5	Low	183 Å²	183	95.3 Å²	95.3	86%	0.855	52%	0.52	S	S	*	.			trans	-56.1	88.7	133.3	-94.5	-178.6	155.2	0	0	103.5	E109 L113	E109-E111 PolarHBondContact O-N 3.42Å; E111-L113 PolarHBondContact O-N 3.45Å
112	E	42.9	Very low	55.5	Low	157 Å²	157	94.5 Å²	94.5	73%	0.734	51%	0.512	S	S	*	.			trans	-59.5	81.6	166.2	-82.3	-173.8	160.1	0	0	103.7	E110	E110-E112 HydrophobicContact CB-CB 4.44Å; E110-E112 HydrophobicContact CB-CG 3.89Å; E110-E112 PolarHBondContact O-N 3.48Å
113	L	48.2	Very low	57.8	Low	118 Å²	118	93.4 Å²	93.4	62%	0.618	50%	0.501	S	S	*	.			trans	-52.8	126.9	163.4	-76.6	170.5	0	0	0	104.1	E111 H115	E111-L113 PolarHBondContact O-N 3.45Å; L113-H115 PolarHBondContact O-N 2.93Å
114	P	48.3	Very low	60.1	Low	112 Å²	112	90.3 Å²	90.3	73%	0.727	48%	0.483	S	S	*	.			trans	-45.8	129.9	-169.3	-27.1	30.4	0	0	0	110.3	D116	P114-D116 PolarHBondContact O-N 2.93Å
115	H	54.9	Low	62.8	Low	135 Å²	135	88.9 Å²	88.9	63%	0.625	47%	0.467	S	S	*	.			trans	-53.8	106.2	174.1	-176.4	9.4	0	0	0	107.8	L113 P117	L113-H115 PolarHBondContact O-N 2.93Å; H115-P117 VanDerWaalsContact O-CD 3.22Å; H115-P117 WeakPolarHBondContact O-CD 3.22Å
116	D	63.7	Low	65.6	Low	74 Å²	74	83.6 Å²	83.6	40%	0.396	44%	0.436	S	S	.	.			trans	-74.1	112.7	172.3	-175	-17.1	0	0	0	106.2	P114 S118 E119	P114-D116 PolarHBondContact O-N 2.93Å; D116-S118 PolarHBondContact O-N 3.47Å; D116-S118 VanDerWaalsContact O-N 3.15Å; D116-S118 WeakPolarHBondContact OD1-CB 3.48Å; D116-S118 PolarHBondContact OD1-N 3.41Å; D116-S118 PolarHBondContact OD1-OG 3.06Å; D116-S118 PolarHBondContact OD2-OG 2.92Å; D116-E119 HydrophobicContact CB-CB 4.22Å; D116-E119 WeakPolarHBondContact O-CB 3.35Å; D116-E119 PolarHBondContact O-N 3.18Å
117	P	62.5	Low	68.5	Low	62 Å²	62	86.4 Å²	86.4	40%	0.403	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.2	-177.5	26.3	-33.4	0	0	0	112.5	H115 E119 V343 M351	H115-P117 VanDerWaalsContact O-CD 3.22Å; H115-P117 WeakPolarHBondContact O-CD 3.22Å; P117-E119 VanDerWaalsContact C-N 3.26Å; P117-V343 HydrophobicContact CB-CG2 4.28Å; P117-M351 HydrophobicContact CB-CE 4.08Å
118	S	69.6	Low	71.4	Confident	81 Å²	81	81.4 Å²	81.4	57%	0.566	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7	174.6	72.2	0	0	0	0	113.5	D116	D116-S118 PolarHBondContact O-N 3.47Å; D116-S118 VanDerWaalsContact O-N 3.15Å; D116-S118 WeakPolarHBondContact OD1-CB 3.48Å; D116-S118 PolarHBondContact OD1-N 3.41Å; D116-S118 PolarHBondContact OD1-OG 3.06Å; D116-S118 PolarHBondContact OD2-OG 2.92Å
119	E	84	Confident	74.1	Confident	21 Å²	21	79.1 Å²	79.1	10%	0.098	40%	0.403	C	S	.	.			trans	-76.5	139	-175.5	-174.1	170.4	-138	0	0	112.9	D116 P117 A168 R170 S342	D116-E119 HydrophobicContact CB-CB 4.22Å; D116-E119 WeakPolarHBondContact O-CB 3.35Å; D116-E119 PolarHBondContact O-N 3.18Å; P117-E119 VanDerWaalsContact C-N 3.26Å; E119-A168 HydrophobicContact CG-CB 4.03Å; E119-A168 VanDerWaalsContact OE1-CB 3.26Å; E119-A168 WeakPolarHBondContact OE1-CB 3.29Å; E119-A168 VanDerWaalsContact OE2-CB 3.26Å; E119-A168 WeakPolarHBondContact OE2-CB 3.42Å; E119-R170 VanDerWaalsContact OE1-CB 3.26Å; E119-R170 WeakPolarHBondContact OE1-CB 3.47Å; E119-R170 WeakPolarHBondContact OE1-CD 3.48Å; E119-R170 WeakPolarHBondContact OE1-CG 3.46Å; E119-R170 IonicContact OE1-CZ 2.68Å; E119-R170 IonicContact OE1-NE 3.7Å; E119-R170 PolarHBondContact OE1-NE 3.21Å; E119-R170 VanDerWaalsContact OE1-NE 3.15Å; E119-R170 IonicContact OE1-NH1 3.04Å; E119-R170 PolarHBondContact OE1-NH1 2.96Å; E119-R170 IonicContact OE2-CZ 3.46Å; E119-R170 IonicContact OE2-NE 2.73Å; E119-R170 IonicContact OE2-NH1 3.29Å; E119-R170 PolarHBondContact OE2-NH1 3.03Å; E119-R170 IonicContact OE2-NH2 3.86Å; E119-R170 PolarHBondContact OE2-NH2 3.02Å; E119-R170 VanDerWaalsContact OE2-NH2 3.17Å; E119-S342 PolarHBondContact O-N 3.38Å; E119-S342 PolarHBondContact O-OG 2.83Å
120	E	91.3	Very high	77	Confident	41 Å²	41	73.4 Å²	73.4	19%	0.192	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.5	173	-57.7	-166.5	172	0	0	112.7	A169 H291 S339 V340 P341	E120-A169 HydrophobicContact CB-CB 4.23Å; E120-A169 PolarHBondContact O-N 3.06Å; E120-H291 IonicContact OE1-ND1 3.88Å; E120-H291 PolarHBondContact OE1-ND1 3.03Å; E120-H291 WeakPolarHBondContact OE2-CA 3.49Å; E120-H291 WeakPolarHBondContact OE2-CB 3.38Å; E120-H291 IonicContact OE2-CE1 3.37Å; E120-H291 IonicContact OE2-CG 2.89Å; E120-H291 IonicContact OE2-ND1 2.71Å; E120-H291 PolarHBondContact OE2-ND1 2.99Å; E120-S339 WeakPolarHBondContact OE2-CB 3.44Å; E120-S339 VanDerWaalsContact OE2-O 3.09Å; E120-S339 PolarHBondContact OE2-OG 2.86Å; E120-V340 CarbonylContact C-O 3.56Å; E120-V340 VanDerWaalsContact CA-O 3.23Å; E120-V340 WeakPolarHBondContact CA-O 3.33Å; E120-P341 HydrophobicContact CG-CB 4.43Å
121	T	92.6	Very high	79.5	Confident	34 Å²	34	69.3 Å²	69.3	21%	0.209	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.2	177.3	-63.4	0	0	0	0	109.7	A166 S339 V340 S342	T121-A166 HydrophobicContact CG2-CB 3.67Å; T121-S339 VanDerWaalsContact O-CA 3.29Å; T121-S339 WeakPolarHBondContact O-CA 3.5Å; T121-V340 PolarHBondContact N-O 2.97Å; T121-V340 PolarHBondContact O-N 2.84Å; T121-S342 PolarHBondContact OG1-OG 3.32Å
122	L	94.6	Very high	82.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.2	171.1	-173.8	71.2	0	0	0	109.5	I124 A166 F167 F172 I292 F295 A335 G337	L122-I124 HydrophobicContact CD2-CD1 3.95Å; L122-I124 HydrophobicContact CD2-CG1 4.06Å; L122-I124 HydrophobicContact CG-CG1 4.16Å; L122-A166 WeakPolarHBondContact O-CA 3.22Å; L122-F167 PolarHBondContact N-O 2.78Å; L122-F167 PolarHBondContact O-N 2.98Å; L122-F172 HydrophobicContact CD2-CD2 4.41Å; L122-F172 HydrophobicContact CD2-CE1 4.49Å; L122-F172 HydrophobicContact CD2-CE2 3.66Å; L122-F172 HydrophobicContact CD2-CZ 3.72Å; L122-I292 HydrophobicContact CD1-CB 4.21Å; L122-I292 HydrophobicContact CD1-CG2 4.2Å; L122-I292 HydrophobicContact CD2-CB 4.2Å; L122-I292 HydrophobicContact CD2-CG1 4.43Å; L122-I292 HydrophobicContact CD2-CG2 3.87Å; L122-F295 HydrophobicContact CD2-CB 4.08Å; L122-A335 HydrophobicContact CD1-CB 3.88Å; L122-A335 HydrophobicContact CG-CB 4.41Å; L122-G337 WeakPolarHBondContact CD1-O 3.42Å
123	T	95.7	Very high	84.7	Confident	60 Å²	60	57.8 Å²	57.8	37%	0.368	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.9	173.2	-57	0	0	0	0	109.8	A335 V336	T123-A335 WeakPolarHBondContact O-CA 3.21Å; T123-V336 HydrophobicContact CG2-CG2 3.99Å; T123-V336 PolarHBondContact O-N 2.73Å
124	I	97.9	Very high	86.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.3	178.8	-64.8	177.1	0	0	0	109.1	L122 S164 A165 F167 F172 L221 M224 F295 L333 E334	L122-I124 HydrophobicContact CD2-CD1 3.95Å; L122-I124 HydrophobicContact CD2-CG1 4.06Å; L122-I124 HydrophobicContact CG-CG1 4.16Å; I124-S164 CarbonylContact O-C 3.59Å; I124-S164 VanDerWaalsContact O-CA 3.28Å; I124-S164 WeakPolarHBondContact O-CA 3.48Å; I124-S164 PolarHBondContact O-OG 3.17Å; I124-A165 PolarHBondContact N-O 3.48Å; I124-A165 PolarHBondContact O-N 2.78Å; I124-F167 HydrophobicContact CB-CD2 4.39Å; I124-F167 HydrophobicContact CB-CE2 4.25Å; I124-F167 HydrophobicContact CD1-CD2 3.79Å; I124-F167 HydrophobicContact CD1-CE2 3.98Å; I124-F167 HydrophobicContact CG1-CD2 4.21Å; I124-F167 HydrophobicContact CG1-CE2 4.46Å; I124-F172 HydrophobicContact CD1-CE1 4.48Å; I124-F172 HydrophobicContact CD1-CZ 3.79Å; I124-L221 HydrophobicContact CD1-CD2 3.63Å; I124-M224 HydrophobicContact CB-CE 4.36Å; I124-M224 HydrophobicContact CB-SD 4.45Å; I124-M224 HydrophobicContact CG2-CE 4Å; I124-M224 HydrophobicContact CG2-SD 4.03Å; I124-M224 WeakPolarHBondContact O-CE 3.32Å; I124-F295 HydrophobicContact CD1-CD1 3.56Å; I124-F295 HydrophobicContact CD1-CE1 3.67Å; I124-F295 HydrophobicContact CD1-CG 4.33Å; I124-F295 HydrophobicContact CG1-CD1 4.16Å; I124-L333 HydrophobicContact CG2-CB 3.7Å; I124-L333 HydrophobicContact CG2-CG 4.48Å; I124-E334 WeakPolarHBondContact CA-O 3.46Å
125	E	98.3	Very high	89	Confident	82 Å²	82	55.1 Å²	55.1	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.6	172.7	-76.6	-179.9	179.2	0	0	111.1	P163 L333 E334 V336	E125-P163 WeakPolarHBondContact CA-O 3.3Å; E125-L333 VanDerWaalsContact O-CA 3.28Å; E125-L333 WeakPolarHBondContact O-CA 3.44Å; E125-E334 PolarHBondContact N-O 3.3Å; E125-E334 PolarHBondContact O-N 2.75Å; E125-V336 HydrophobicContact CB-CG2 4.36Å; E125-V336 HydrophobicContact CG-CG2 3.52Å
126	A	98.5	Very high	90.8	Very high	15 Å²	15	48.8 Å²	48.8	12%	0.124	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124	173.5	0	0	0	0	0	110.8	A160 P163 M224 F225 E332 L333	A126-A160 HydrophobicContact CB-CB 3.83Å; A126-P163 PolarHBondContact N-O 2.92Å; A126-M224 HydrophobicContact CB-CE 4.21Å; A126-F225 HydrophobicContact CB-CE1 4.32Å; A126-E332 WeakPolarHBondContact CA-O 3.23Å; A126-L333 HydrophobicContact CB-CD2 3.5Å
127	R	98.1	Very high	91.9	Very high	103 Å²	103	48 Å²	48	39%	0.389	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121	168.4	-58.3	-178.7	-173.7	139.5	9.6	109	Q330 E332 E334	R127-Q330 HydrophobicContact CB-CG 4.28Å; R127-E332 HydrophobicContact CB-CG 3.79Å; R127-E332 WeakPolarHBondContact CD-OE1 3.36Å; R127-E332 HydrophobicContact CG-CG 4.5Å; R127-E332 PolarHBondContact N-O 2.77Å; R127-E332 IonicContact NH1-OE1 3.62Å; R127-E332 PolarHBondContact NH1-OE1 2.73Å; R127-E332 PolarHBondContact O-N 3.26Å; R127-E334 IonicContact CZ-OE2 3.43Å; R127-E334 IonicContact NH1-OE2 3.39Å; R127-E334 PolarHBondContact NH1-OE2 2.84Å; R127-E334 IonicContact NH2-OE2 3.17Å; R127-E334 PolarHBondContact NH2-OE2 3.38Å
128	F	98.2	Very high	93	Very high	25 Å²	25	48 Å²	48	11%	0.11	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.7	-172.8	179.3	-105	0	0	0	110.6	W157 A160 F225 Q330 M331	F128-W157 AromaticContact CE1-CD1 3.94Å; F128-W157 HydrophobicContact CE1-CD2 4.27Å; F128-W157 HydrophobicContact CE1-CG 4.24Å; F128-W157 AromaticContact CE1-NE1 3.8Å; F128-W157 HydrophobicContact CE2-CH2 4.23Å; F128-W157 AromaticContact CE2-CZ2 3.84Å; F128-W157 HydrophobicContact CE2-CZ2 3.84Å; F128-W157 AromaticContact CZ-CD2 3.71Å; F128-W157 HydrophobicContact CZ-CD2 3.71Å; F128-W157 AromaticContact CZ-CE2 3.47Å; F128-W157 VanDerWaalsContact CZ-CE2 3.47Å; F128-W157 HydrophobicContact CZ-CE3 4.18Å; F128-W157 HydrophobicContact CZ-CG 4.15Å; F128-W157 HydrophobicContact CZ-CH2 4.28Å; F128-W157 AromaticContact CZ-CZ2 3.8Å; F128-W157 HydrophobicContact CZ-CZ2 3.8Å; F128-W157 HydrophobicContact CZ-CZ3 4.45Å; F128-W157 AromaticContact CZ-NE1 3.74Å; F128-A160 HydrophobicContact CB-CB 4.06Å; F128-F225 HydrophobicContact CB-CD1 4.4Å; F128-F225 HydrophobicContact CD2-CD1 4.2Å; F128-Q330 CarbonylContact C-O 3.56Å; F128-Q330 WeakPolarHBondContact CA-O 3.49Å; F128-M331 HydrophobicContact CD2-CB 4.17Å; F128-M331 HydrophobicContact CD2-CG 4.01Å; F128-M331 HydrophobicContact CE2-CE 4.49Å; F128-M331 HydrophobicContact CE2-CG 4.34Å; F128-M331 HydrophobicContact CE2-SD 4.31Å
129	Q	97.9	Very high	93.8	Very high	89 Å²	89	45.3 Å²	45.3	42%	0.416	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.3	167.2	-68	178.9	24.9	0	0	107.9	V328 P329 Q330	Q129-V328 VanDerWaalsContact O-CG2 3.24Å; Q129-V328 WeakPolarHBondContact O-CG2 3.38Å; Q129-P329 HydrophobicContact CB-CB 4.38Å; Q129-P329 HydrophobicContact CB-CG 4.46Å; Q129-Q330 HydrophobicContact CB-CB 4.01Å; Q129-Q330 HydrophobicContact CG-CB 3.89Å; Q129-Q330 PolarHBondContact N-O 3.26Å
130	P	97.3	Very high	93.7	Very high	50 Å²	50	51.3 Å²	51.3	33%	0.325	26%	0.258	S	S	.	.			trans	-63.5	161.2	-178.3	27.6	-34.9	0	0	0	111.8	L132 P329	P130-L132 PolarHBondContact O-N 3.01Å; P130-P329 WeakPolarHBondContact O-CD 3.44Å
131	L	97	Very high	93.2	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	28%	0.28	C	S	.	.			trans	-58.9	134.6	173.9	-178.2	141	0	0	0	111	M133 M136 L154 F274 V307 M309 Y327	L131-M133 PolarHBondContact O-N 3.28Å; L131-M133 VanDerWaalsContact O-N 3.15Å; L131-M136 HydrophobicContact CD2-CG 3.98Å; L131-M136 HydrophobicContact CD2-SD 3.96Å; L131-L154 HydrophobicContact CB-CD1 4.17Å; L131-L154 HydrophobicContact CD2-CD1 4.49Å; L131-L154 HydrophobicContact CD2-CD2 4.32Å; L131-F274 HydrophobicContact CB-CE2 4.03Å; L131-F274 HydrophobicContact CB-CZ 4.46Å; L131-F274 HydrophobicContact CD1-CE2 3.65Å; L131-F274 HydrophobicContact CD1-CZ 4.19Å; L131-F274 HydrophobicContact CG-CE2 4.49Å; L131-V307 HydrophobicContact CD1-CB 3.97Å; L131-V307 HydrophobicContact CD1-CG1 4.05Å; L131-V307 HydrophobicContact CD1-CG2 4.35Å; L131-M309 HydrophobicContact CD1-CE 3.67Å; L131-M309 HydrophobicContact CD1-SD 3.72Å; L131-M309 HydrophobicContact CD2-CE 4.11Å; L131-M309 HydrophobicContact CD2-SD 4.28Å; L131-Y327 WeakPolarHBondContact CA-O 3.33Å
132	L	96.4	Very high	92.5	Very high	57 Å²	57	56.7 Å²	56.7	30%	0.298	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-75	100.7	176.3	-63.6	-169.4	0	0	0	109.9	P130 E134 T135 Y327 P329	P130-L132 PolarHBondContact O-N 3.01Å; L132-E134 PolarHBondContact O-N 2.91Å; L132-E134 VanDerWaalsContact O-N 3.16Å; L132-T135 HydrophobicContact CB-CG2 3.74Å; L132-T135 HydrophobicContact CD1-CG2 4.37Å; L132-T135 WeakPolarHBondContact O-CB 3.48Å; L132-T135 PolarHBondContact O-N 3.2Å; L132-T135 PolarHBondContact O-OG1 3.44Å; L132-Y327 HydrophobicContact CD1-CD1 3.81Å; L132-Y327 HydrophobicContact CD1-CE1 4.3Å; L132-Y327 HydrophobicContact CG-CD1 4.21Å; L132-Y327 PolarHBondContact N-O 3.05Å; L132-P329 HydrophobicContact CD1-CG 3.94Å; L132-P329 HydrophobicContact CD2-CG 3.9Å; L132-P329 HydrophobicContact CG-CG 3.66Å
133	M	93.7	Very high	91.9	Very high	42 Å²	42	58.4 Å²	58.4	21%	0.207	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.5	-175.2	-66.4	-160.9	78.7	0	0	113.1	L131 T135 M136 S139 F143 L151 L154 R155	L131-M133 PolarHBondContact O-N 3.28Å; L131-M133 VanDerWaalsContact O-N 3.15Å; M133-T135 PolarHBondContact O-N 3.11Å; M133-M136 HydrophobicContact CE-SD 4.25Å; M133-M136 VanDerWaalsContact O-CB 3.27Å; M133-M136 WeakPolarHBondContact O-CB 3.35Å; M133-M136 WeakPolarHBondContact O-CG 3.45Å; M133-M136 PolarHBondContact O-N 3.36Å; M133-S139 VanDerWaalsContact O-CB 3.28Å; M133-S139 WeakPolarHBondContact O-CB 3.39Å; M133-F143 HydrophobicContact CB-CZ 4.14Å; M133-F143 HydrophobicContact CE-CE1 4.09Å; M133-F143 HydrophobicContact CE-CE2 4.27Å; M133-F143 HydrophobicContact CE-CZ 3.75Å; M133-L151 HydrophobicContact CE-CD1 3.85Å; M133-L154 HydrophobicContact CE-CD2 4.24Å; M133-R155 HydrophobicContact CE-CG 4.23Å; M133-R155 HydrophobicContact SD-CG 3.89Å
134	E	93.5	Very high	90.9	Very high	131 Å²	131	62.7 Å²	62.7	61%	0.612	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14.4	176	67.6	-85.2	-162.1	0	0	114	L132 S139	L132-E134 PolarHBondContact O-N 2.91Å; L132-E134 VanDerWaalsContact O-N 3.16Å; E134-S139 PolarHBondContact O-OG 3.06Å
135	T	93.4	Very high	89.7	Confident	43 Å²	43	66.4 Å²	66.4	26%	0.264	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-84.4	-16.6	175.9	65.9	0	0	0	0	112.8	L132 M133 Y327	L132-T135 HydrophobicContact CB-CG2 3.74Å; L132-T135 HydrophobicContact CD1-CG2 4.37Å; L132-T135 WeakPolarHBondContact O-CB 3.48Å; L132-T135 PolarHBondContact O-N 3.2Å; L132-T135 PolarHBondContact O-OG1 3.44Å; M133-T135 PolarHBondContact O-N 3.11Å; T135-Y327 PolarHBondContact OG1-N 2.75Å
136	M	92.4	Very high	88.7	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	36%	0.355	C	S	.	.	S	Bend	trans	-67.5	140.5	177.4	-65	179.6	70.6	0	0	111	L131 M133 K138 S139 F143 L154 M309 W311 D324	L131-M136 HydrophobicContact CD2-CG 3.98Å; L131-M136 HydrophobicContact CD2-SD 3.96Å; M133-M136 HydrophobicContact CE-SD 4.25Å; M133-M136 VanDerWaalsContact O-CB 3.27Å; M133-M136 WeakPolarHBondContact O-CB 3.35Å; M133-M136 WeakPolarHBondContact O-CG 3.45Å; M133-M136 PolarHBondContact O-N 3.36Å; M136-K138 VanDerWaalsContact C-N 3.27Å; M136-K138 PolarHBondContact O-N 2.76Å; M136-S139 VanDerWaalsContact O-CB 3.28Å; M136-S139 WeakPolarHBondContact O-CB 3.47Å; M136-S139 PolarHBondContact O-N 3.48Å; M136-S139 VanDerWaalsContact O-N 3.09Å; M136-S139 PolarHBondContact O-OG 2.95Å; M136-F143 HydrophobicContact CB-CE1 4.29Å; M136-F143 HydrophobicContact CB-CZ 4.5Å; M136-F143 HydrophobicContact CE-CE1 4.07Å; M136-F143 HydrophobicContact SD-CE1 3.88Å; M136-F143 HydrophobicContact SD-CZ 4.18Å; M136-L154 HydrophobicContact CE-CD2 4.34Å; M136-L154 HydrophobicContact SD-CD2 3.94Å; M136-M309 HydrophobicContact CE-CE 3.78Å; M136-M309 HydrophobicContact CE-SD 4.17Å; M136-M309 HydrophobicContact CG-CE 3.83Å; M136-M309 HydrophobicContact SD-CE 4.01Å; M136-M309 HydrophobicContact SD-SD 4.46Å; M136-W311 HydrophobicContact CE-CH2 4.31Å; M136-W311 HydrophobicContact CE-CZ3 4.41Å; M136-D324 WeakPolarHBondContact CB-OD2 3.39Å; M136-D324 HydrophobicContact CE-CB 3.88Å
137	T	87.3	Confident	87.6	Confident	57 Å²	57	66 Å²	66	35%	0.35	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.1	-39.7	179	-53.8	0	0	0	0	110.8	S139 K140 D324 W419	T137-S139 PolarHBondContact O-N 3.44Å; T137-K140 WeakPolarHBondContact O-CB 3.48Å; T137-K140 PolarHBondContact O-N 3.38Å; T137-D324 WeakPolarHBondContact CB-OD1 3.34Å; T137-D324 PolarHBondContact N-OD1 3.48Å; T137-D324 PolarHBondContact N-OD2 3.21Å; T137-D324 VanDerWaalsContact N-OD2 3.15Å; T137-D324 PolarHBondContact OG1-OD1 3.28Å; T137-W419 PolarHBondContact OG1-NE1 2.92Å
138	K	85.9	Confident	86.6	Confident	62 Å²	62	70.8 Å²	70.8	27%	0.27	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.4	179	-61.7	-74.6	-175.6	172.4	0	113.3	M136 K140 F143 V146 W311 E322 D324	M136-K138 VanDerWaalsContact C-N 3.27Å; M136-K138 PolarHBondContact O-N 2.76Å; K138-K140 VanDerWaalsContact C-N 3.27Å; K138-K140 PolarHBondContact O-N 2.99Å; K138-F143 HydrophobicContact CB-CD1 3.89Å; K138-F143 HydrophobicContact CB-CE1 4.19Å; K138-F143 VanDerWaalsContact O-CA 3.29Å; K138-F143 WeakPolarHBondContact O-CA 3.43Å; K138-F143 PolarHBondContact O-N 3.35Å; K138-V146 HydrophobicContact CB-CG2 4.41Å; K138-V146 HydrophobicContact CD-CG2 4.23Å; K138-V146 HydrophobicContact CG-CG2 4.37Å; K138-W311 HydrophobicContact CG-CH2 4.48Å; K138-E322 WeakPolarHBondContact CE-OE2 3.43Å; K138-E322 IonicContact NZ-OE1 2.75Å; K138-E322 IonicContact NZ-OE2 3.62Å; K138-E322 PolarHBondContact NZ-OE2 2.86Å; K138-D324 VanDerWaalsContact CB-OD2 3.29Å; K138-D324 WeakPolarHBondContact CB-OD2 3.21Å; K138-D324 WeakPolarHBondContact CG-OD2 3.13Å; K138-D324 PolarHBondContact N-OD2 2.9Å
139	S	86	Confident	85.8	Confident	26 Å²	26	74.8 Å²	74.8	18%	0.182	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-68.8	-25.6	177.6	77.2	0	0	0	0	113	M133 E134 M136 T137 D141 G142	M133-S139 VanDerWaalsContact O-CB 3.28Å; M133-S139 WeakPolarHBondContact O-CB 3.39Å; E134-S139 PolarHBondContact O-OG 3.06Å; M136-S139 VanDerWaalsContact O-CB 3.28Å; M136-S139 WeakPolarHBondContact O-CB 3.47Å; M136-S139 PolarHBondContact O-N 3.48Å; M136-S139 VanDerWaalsContact O-N 3.09Å; M136-S139 PolarHBondContact O-OG 2.95Å; T137-S139 PolarHBondContact O-N 3.44Å; S139-D141 PolarHBondContact O-N 3.45Å; S139-G142 WeakPolarHBondContact O-CA 3.48Å; S139-G142 PolarHBondContact O-N 3.28Å
140	K	82.4	Confident	85.2	Confident	147 Å²	147	71.4 Å²	71.4	64%	0.639	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-57.7	-35.3	-179	-67.4	-179	179.1	179.1	0	112.4	T137 K138	T137-K140 WeakPolarHBondContact O-CB 3.48Å; T137-K140 PolarHBondContact O-N 3.38Å; K138-K140 VanDerWaalsContact C-N 3.27Å; K138-K140 PolarHBondContact O-N 2.99Å
141	D	79.5	Confident	84.8	Confident	125 Å²	125	69 Å²	69	67%	0.668	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-99.3	19.9	176.8	-60.6	-43.7	0	0	0	112.6	S139 F143 L144	S139-D141 PolarHBondContact O-N 3.45Å; D141-F143 PolarHBondContact O-N 2.92Å; D141-L144 HydrophobicContact CB-CB 4.11Å; D141-L144 VanDerWaalsContact O-CB 3.31Å; D141-L144 WeakPolarHBondContact O-CB 3.35Å; D141-L144 PolarHBondContact O-N 3.49Å; D141-L144 VanDerWaalsContact O-N 3.15Å
142	G	79.3	Confident	84.5	Confident	62 Å²	62	69.7 Å²	69.7	64%	0.639	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	29.6	-177.4	0	0	0	0	0	113.5	S139 L144	S139-G142 WeakPolarHBondContact O-CA 3.48Å; S139-G142 PolarHBondContact O-N 3.28Å; G142-L144 VanDerWaalsContact C-N 3.26Å; G142-L144 PolarHBondContact O-N 3.35Å
143	F	81.5	Confident	84.3	Confident	37 Å²	37	67.4 Å²	67.4	16%	0.162	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	30	-173.8	-57.1	-85.4	0	0	0	113.8	M133 M136 K138 D141 G145 V146 L151	M133-F143 HydrophobicContact CB-CZ 4.14Å; M133-F143 HydrophobicContact CE-CE1 4.09Å; M133-F143 HydrophobicContact CE-CE2 4.27Å; M133-F143 HydrophobicContact CE-CZ 3.75Å; M136-F143 HydrophobicContact CB-CE1 4.29Å; M136-F143 HydrophobicContact CB-CZ 4.5Å; M136-F143 HydrophobicContact CE-CE1 4.07Å; M136-F143 HydrophobicContact SD-CE1 3.88Å; M136-F143 HydrophobicContact SD-CZ 4.18Å; K138-F143 HydrophobicContact CB-CD1 3.89Å; K138-F143 HydrophobicContact CB-CE1 4.19Å; K138-F143 VanDerWaalsContact O-CA 3.29Å; K138-F143 WeakPolarHBondContact O-CA 3.43Å; K138-F143 PolarHBondContact O-N 3.35Å; D141-F143 PolarHBondContact O-N 2.92Å; F143-G145 PolarHBondContact O-N 3.2Å; F143-V146 HydrophobicContact CB-CB 4.29Å; F143-V146 PolarHBondContact O-N 3.43Å; F143-L151 HydrophobicContact CD1-CD1 3.69Å; F143-L151 HydrophobicContact CE1-CD1 3.96Å; F143-L151 HydrophobicContact CG-CD1 4.3Å
144	L	74.3	Confident	84.3	Confident	149 Å²	149	66 Å²	66	78%	0.78	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.3	173.5	-170.3	71	0	0	0	110.4	D141 G142 V146	D141-L144 HydrophobicContact CB-CB 4.11Å; D141-L144 VanDerWaalsContact O-CB 3.31Å; D141-L144 WeakPolarHBondContact O-CB 3.35Å; D141-L144 PolarHBondContact O-N 3.49Å; D141-L144 VanDerWaalsContact O-N 3.15Å; G142-L144 VanDerWaalsContact C-N 3.26Å; G142-L144 PolarHBondContact O-N 3.35Å; L144-V146 VanDerWaalsContact C-N 3.31Å; L144-V146 PolarHBondContact O-N 3.13Å
145	G	72.1	Confident	84.3	Confident	79 Å²	79	64.2 Å²	64.2	81%	0.814	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-14.3	-177.1	0	0	0	0	0	115	F143	F143-G145 PolarHBondContact O-N 3.2Å
146	V	77.9	Confident	84.3	Confident	21 Å²	21	68 Å²	68	13%	0.127	38%	0.379	C	S	.	.	S	Bend	trans	-94.1	119.1	177	-172.7	0	0	0	0	109.9	K138 F143 L144 R148 A150 L151 W311	K138-V146 HydrophobicContact CB-CG2 4.41Å; K138-V146 HydrophobicContact CD-CG2 4.23Å; K138-V146 HydrophobicContact CG-CG2 4.37Å; F143-V146 HydrophobicContact CB-CB 4.29Å; F143-V146 PolarHBondContact O-N 3.43Å; L144-V146 VanDerWaalsContact C-N 3.31Å; L144-V146 PolarHBondContact O-N 3.13Å; V146-R148 PolarHBondContact O-N 3.39Å; V146-A150 HydrophobicContact CG1-CB 4.32Å; V146-L151 HydrophobicContact CG1-CD1 3.87Å; V146-L151 HydrophobicContact CG1-CD2 4.04Å; V146-L151 HydrophobicContact CG1-CG 3.73Å; V146-W311 HydrophobicContact CG1-CZ2 4.01Å; V146-W311 HydrophobicContact CG2-CZ2 4.24Å
147	S	76.7	Confident	84.5	Confident	66 Å²	66	68.8 Å²	68.8	46%	0.462	38%	0.381	S	S	.	.			trans	-58	136.5	175	176.5	0	0	0	0	110.6	L149 A150	S147-L149 PolarHBondContact O-N 3.47Å; S147-L149 VanDerWaalsContact O-N 3.15Å; S147-L149 PolarHBondContact OG-N 3.16Å; S147-A150 WeakPolarHBondContact O-CB 3.37Å; S147-A150 PolarHBondContact O-N 3.21Å
148	R	77.1	Confident	84.9	Confident	204 Å²	204	69.8 Å²	69.8	77%	0.77	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30	174.6	-75.3	-170.3	173.6	178.5	-1.8	112.6	V146 R155	V146-R148 PolarHBondContact O-N 3.39Å; R148-R155 PolarHBondContact O-NH1 2.79Å
149	L	81.5	Confident	85.4	Confident	110 Å²	110	71.6 Å²	71.6	58%	0.576	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-33.6	177.5	-66.5	168.6	0	0	0	111.7	S147 L151 S152	S147-L149 PolarHBondContact O-N 3.47Å; S147-L149 VanDerWaalsContact O-N 3.15Å; S147-L149 PolarHBondContact OG-N 3.16Å; L149-L151 PolarHBondContact O-N 3.37Å; L149-S152 VanDerWaalsContact O-CB 3.27Å; L149-S152 WeakPolarHBondContact O-CB 3.45Å; L149-S152 PolarHBondContact O-N 2.93Å; L149-S152 VanDerWaalsContact O-N 3.12Å; L149-S152 PolarHBondContact O-OG 3.39Å
150	A	84.5	Confident	86	Confident	17 Å²	17	71.1 Å²	71.1	14%	0.14	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.8	179.7	0	0	0	0	0	112.5	V146 S147 F272	V146-A150 HydrophobicContact CG1-CB 4.32Å; S147-A150 WeakPolarHBondContact O-CB 3.37Å; S147-A150 PolarHBondContact O-N 3.21Å; A150-F272 VanDerWaalsContact O-CD2 3.23Å; A150-F272 WeakPolarHBondContact O-CD2 3.11Å
151	L	88.8	Confident	86.7	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	14.3	178.9	-54.6	-176.8	0	0	0	113.2	M133 F143 V146 L149 L154 R155 F272 W311	M133-L151 HydrophobicContact CE-CD1 3.85Å; F143-L151 HydrophobicContact CD1-CD1 3.69Å; F143-L151 HydrophobicContact CE1-CD1 3.96Å; F143-L151 HydrophobicContact CG-CD1 4.3Å; V146-L151 HydrophobicContact CG1-CD1 3.87Å; V146-L151 HydrophobicContact CG1-CD2 4.04Å; V146-L151 HydrophobicContact CG1-CG 3.73Å; L149-L151 PolarHBondContact O-N 3.37Å; L151-L154 PolarHBondContact O-N 2.62Å; L151-R155 WeakPolarHBondContact O-CB 3.34Å; L151-R155 WeakPolarHBondContact O-CG 3.26Å; L151-R155 PolarHBondContact O-N 3.16Å; L151-F272 HydrophobicContact CD2-CD2 4.4Å; L151-F272 HydrophobicContact CD2-CE2 3.59Å; L151-F272 HydrophobicContact CD2-CZ 4.37Å; L151-W311 HydrophobicContact CD2-CH2 4.49Å; L151-W311 HydrophobicContact CD2-CZ2 4.25Å
152	S	90.5	Very high	87.5	Confident	26 Å²	26	63.1 Å²	63.1	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-48.9	-175.4	65.2	0	0	0	0	111.6	L149 L154 R155 N156	L149-S152 VanDerWaalsContact O-CB 3.27Å; L149-S152 WeakPolarHBondContact O-CB 3.45Å; L149-S152 PolarHBondContact O-N 2.93Å; L149-S152 VanDerWaalsContact O-N 3.12Å; L149-S152 PolarHBondContact O-OG 3.39Å; S152-L154 PolarHBondContact O-N 3.38Å; S152-R155 PolarHBondContact O-N 3.2Å; S152-N156 VanDerWaalsContact O-CB 3.32Å; S152-N156 WeakPolarHBondContact O-CB 3.43Å; S152-N156 PolarHBondContact O-N 2.87Å; S152-N156 PolarHBondContact O-ND2 3.5Å
153	G	92.1	Very high	88.4	Confident	10 Å²	10	64.6 Å²	64.6	10%	0.103	38%	0.375	C	S	.	.	H	α-helix	trans	-58.2	-46.8	178.3	0	0	0	0	0	112.3	R155 N156 W157	G153-R155 PolarHBondContact O-N 3.37Å; G153-N156 PolarHBondContact O-N 2.96Å; G153-W157 WeakPolarHBondContact O-CB 3.41Å; G153-W157 PolarHBondContact O-N 3.2Å
154	L	94	Very high	89.1	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-43.6	177.5	-175.1	66.6	0	0	0	112.5	L131 M133 M136 L151 S152 N156 L264 F272 F274 M309	L131-L154 HydrophobicContact CB-CD1 4.17Å; L131-L154 HydrophobicContact CD2-CD1 4.49Å; L131-L154 HydrophobicContact CD2-CD2 4.32Å; M133-L154 HydrophobicContact CE-CD2 4.24Å; M136-L154 HydrophobicContact CE-CD2 4.34Å; M136-L154 HydrophobicContact SD-CD2 3.94Å; L151-L154 PolarHBondContact O-N 2.62Å; S152-L154 PolarHBondContact O-N 3.38Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 PolarHBondContact O-N 2.96Å; L154-L264 HydrophobicContact CB-CD1 4.17Å; L154-L264 HydrophobicContact CD1-CD1 4.09Å; L154-F272 HydrophobicContact CB-CE1 4.24Å; L154-F272 HydrophobicContact CB-CZ 4.12Å; L154-F272 HydrophobicContact CD1-CE1 4.49Å; L154-F272 HydrophobicContact CD2-CZ 3.98Å; L154-F272 HydrophobicContact CG-CZ 4.49Å; L154-F274 HydrophobicContact CD1-CD2 3.89Å; L154-F274 HydrophobicContact CD1-CE2 3.86Å; L154-M309 HydrophobicContact CD1-SD 4.18Å; L154-M309 HydrophobicContact CD2-SD 3.79Å
155	R	92.8	Very high	90.1	Very high	94 Å²	94	60 Å²	60	36%	0.355	36%	0.362	S	S	.	.	H	α-helix	trans	-69.1	-30.3	179.1	-75.1	175.3	176.9	154.6	3.3	113.3	M133 R148 L151 S152 G153	M133-R155 HydrophobicContact CE-CG 4.23Å; M133-R155 HydrophobicContact SD-CG 3.89Å; R148-R155 PolarHBondContact O-NH1 2.79Å; L151-R155 WeakPolarHBondContact O-CB 3.34Å; L151-R155 WeakPolarHBondContact O-CG 3.26Å; L151-R155 PolarHBondContact O-N 3.16Å; S152-R155 PolarHBondContact O-N 3.2Å; G153-R155 PolarHBondContact O-N 3.37Å
156	N	94.1	Very high	91.1	Very high	124 Å²	124	59.2 Å²	59.2	66%	0.663	35%	0.348	S	S	*	.	H	α-helix	trans	-84.9	-23.3	-178	-69.5	-17.8	0	0	0	112.5	S152 G153 L154 T158	S152-N156 VanDerWaalsContact O-CB 3.32Å; S152-N156 WeakPolarHBondContact O-CB 3.43Å; S152-N156 PolarHBondContact O-N 2.87Å; S152-N156 PolarHBondContact O-ND2 3.5Å; G153-N156 PolarHBondContact O-N 2.96Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 PolarHBondContact O-N 2.96Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 2.97Å
157	W	96.3	Very high	91.9	Very high	17 Å²	17	58.4 Å²	58.4	6%	0.064	34%	0.343	C	S	.	.			trans	-79.8	77.5	179.3	-169.5	26.9	0	0	0	111.9	F128 G153 F225 H226 F262 L264 F274 M331	F128-W157 AromaticContact CE1-CD1 3.94Å; F128-W157 HydrophobicContact CE1-CD2 4.27Å; F128-W157 HydrophobicContact CE1-CG 4.24Å; F128-W157 AromaticContact CE1-NE1 3.8Å; F128-W157 HydrophobicContact CE2-CH2 4.23Å; F128-W157 AromaticContact CE2-CZ2 3.84Å; F128-W157 HydrophobicContact CE2-CZ2 3.84Å; F128-W157 AromaticContact CZ-CD2 3.71Å; F128-W157 HydrophobicContact CZ-CD2 3.71Å; F128-W157 AromaticContact CZ-CE2 3.47Å; F128-W157 VanDerWaalsContact CZ-CE2 3.47Å; F128-W157 HydrophobicContact CZ-CE3 4.18Å; F128-W157 HydrophobicContact CZ-CG 4.15Å; F128-W157 HydrophobicContact CZ-CH2 4.28Å; F128-W157 AromaticContact CZ-CZ2 3.8Å; F128-W157 HydrophobicContact CZ-CZ2 3.8Å; F128-W157 HydrophobicContact CZ-CZ3 4.45Å; F128-W157 AromaticContact CZ-NE1 3.74Å; G153-W157 WeakPolarHBondContact O-CB 3.41Å; G153-W157 PolarHBondContact O-N 3.2Å; W157-F225 HydrophobicContact CZ2-CB 4.1Å; W157-F225 PolarHBondContact NE1-O 2.85Å; W157-H226 HydrophobicContact CH2-CB 4.37Å; W157-H226 HydrophobicContact CZ2-CB 3.67Å; W157-F262 HydrophobicContact CH2-CD1 4.48Å; W157-F262 AromaticContact CH2-CD2 3.95Å; W157-F262 HydrophobicContact CH2-CD2 3.95Å; W157-F262 HydrophobicContact CH2-CE2 4.24Å; W157-F262 HydrophobicContact CH2-CG 4.07Å; W157-L264 HydrophobicContact CD2-CD2 4.21Å; W157-L264 HydrophobicContact CE3-CD1 3.9Å; W157-L264 HydrophobicContact CE3-CD2 3.52Å; W157-L264 HydrophobicContact CE3-CG 4.39Å; W157-L264 HydrophobicContact CZ3-CD1 4.37Å; W157-L264 HydrophobicContact CZ3-CD2 3.71Å; W157-F274 HydrophobicContact CE3-CE2 4.5Å; W157-F274 HydrophobicContact CH2-CD1 4.12Å; W157-F274 HydrophobicContact CH2-CE1 4.06Å; W157-F274 HydrophobicContact CZ3-CB 4.44Å; W157-F274 AromaticContact CZ3-CD1 3.61Å; W157-F274 HydrophobicContact CZ3-CD1 3.61Å; W157-F274 HydrophobicContact CZ3-CD2 4.02Å; W157-F274 AromaticContact CZ3-CE1 3.67Å; W157-F274 HydrophobicContact CZ3-CE1 3.67Å; W157-F274 HydrophobicContact CZ3-CE2 4.04Å; W157-F274 AromaticContact CZ3-CG 3.79Å; W157-F274 HydrophobicContact CZ3-CG 3.79Å; W157-F274 AromaticContact CZ3-CZ 3.88Å; W157-F274 HydrophobicContact CZ3-CZ 3.88Å; W157-M331 HydrophobicContact CH2-CE 3.88Å; W157-M331 HydrophobicContact CZ2-CE 4Å
158	T	96	Very high	92.7	Very high	78 Å²	78	55.9 Å²	55.9	48%	0.479	33%	0.325	S	S	.	.			trans	-102	-15.9	-176.4	56.2	0	0	0	0	114	N156	N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 2.97Å
159	T	96.8	Very high	93.5	Very high	100 Å²	100	46.2 Å²	46.2	61%	0.613	29%	0.289	S	S	*	.	S	Bend	trans	-141	157.6	-176.2	53.9	0	0	0	0	110.5
160	A	97.5	Very high	94	Very high	16 Å²	16	44.9 Å²	44.9	13%	0.132	28%	0.276	C	S	.	.			trans	-65.4	139.5	172.8	0	0	0	0	0	110.5	A126 F128 S162 M224	A126-A160 HydrophobicContact CB-CB 3.83Å; F128-A160 HydrophobicContact CB-CB 4.06Å; A160-S162 PolarHBondContact O-N 3.43Å; A160-M224 CarbonylContact C-O 3.58Å
161	A	97.2	Very high	94.5	Very high	54 Å²	54	46.3 Å²	46.3	45%	0.446	28%	0.28	S	S	.	.	S	Bend	trans	-59.8	-31	177.7	0	0	0	0	0	113.3	M224 F225	A161-M224 PolarHBondContact N-O 3.35Å; A161-F225 PolarHBondContact N-O 3.47Å
162	S	97	Very high	94.9	Very high	50 Å²	50	46.2 Å²	46.2	35%	0.35	28%	0.28	S	S	.	.			trans	-140.7	106.4	173.4	-61.7	0	0	0	0	109.6	A160 S164 M224	A160-S162 PolarHBondContact O-N 3.43Å; S162-S164 PolarHBondContact O-N 2.79Å; S162-M224 PolarHBondContact N-O 3.02Å
163	P	97	Very high	95.2	Very high	92 Å²	92	53.2 Å²	53.2	60%	0.597	30%	0.302	S	S	*	.	S	Bend	trans	-68.8	-21.3	-176	26.7	-34.6	0	0	0	113.4	E125 A126	E125-P163 WeakPolarHBondContact CA-O 3.3Å; A126-P163 PolarHBondContact N-O 2.92Å
164	S	96.7	Very high	95.4	Very high	63 Å²	63	54 Å²	54	44%	0.441	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145	174	-177.9	0	0	0	0	110.2	I124 S162	I124-S164 CarbonylContact O-C 3.59Å; I124-S164 VanDerWaalsContact O-CA 3.28Å; I124-S164 WeakPolarHBondContact O-CA 3.48Å; I124-S164 PolarHBondContact O-OG 3.17Å; S162-S164 PolarHBondContact O-N 2.79Å
165	A	95.5	Very high	95.5	Very high	27 Å²	27	53.4 Å²	53.4	22%	0.223	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.8	174.8	0	0	0	0	0	111.4	I124 F167 M224	I124-A165 PolarHBondContact N-O 3.48Å; I124-A165 PolarHBondContact O-N 2.78Å; A165-F167 HydrophobicContact CB-CD2 4.42Å; A165-F167 HydrophobicContact CB-CE2 3.65Å; A165-F167 HydrophobicContact CB-CZ 4.13Å; A165-M224 HydrophobicContact CB-CE 3.74Å; A165-M224 HydrophobicContact CB-CG 4.22Å; A165-M224 HydrophobicContact CB-SD 3.9Å
166	A	93.6	Very high	95.8	Very high	62 Å²	62	50.4 Å²	50.4	51%	0.512	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.2	176.7	0	0	0	0	0	110.4	T121 L122	T121-A166 HydrophobicContact CG2-CB 3.67Å; L122-A166 WeakPolarHBondContact O-CA 3.22Å
167	F	94.4	Very high	95.9	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.7	179.5	-64.3	-96.9	0	0	0	110.2	L122 I124 A165 F172 I217 R220 L221 M224	L122-F167 PolarHBondContact N-O 2.78Å; L122-F167 PolarHBondContact O-N 2.98Å; I124-F167 HydrophobicContact CB-CD2 4.39Å; I124-F167 HydrophobicContact CB-CE2 4.25Å; I124-F167 HydrophobicContact CD1-CD2 3.79Å; I124-F167 HydrophobicContact CD1-CE2 3.98Å; I124-F167 HydrophobicContact CG1-CD2 4.21Å; I124-F167 HydrophobicContact CG1-CE2 4.46Å; A165-F167 HydrophobicContact CB-CD2 4.42Å; A165-F167 HydrophobicContact CB-CE2 3.65Å; A165-F167 HydrophobicContact CB-CZ 4.13Å; F167-F172 HydrophobicContact CB-CE2 3.7Å; F167-F172 HydrophobicContact CB-CZ 4.17Å; F167-F172 HydrophobicContact CG-CE2 4.34Å; F167-F172 HydrophobicContact CG-CZ 4.35Å; F167-I217 HydrophobicContact CD1-CD1 3.77Å; F167-I217 HydrophobicContact CE1-CD1 4.04Å; F167-R220 HydrophobicContact CE1-CB 3.81Å; F167-L221 HydrophobicContact CE1-CD2 4.27Å; F167-L221 HydrophobicContact CE1-CG 4.48Å; F167-L221 HydrophobicContact CE2-CD2 4.15Å; F167-L221 HydrophobicContact CZ-CD2 3.9Å; F167-L221 HydrophobicContact CZ-CG 4.45Å; F167-M224 HydrophobicContact CE2-SD 3.73Å; F167-M224 HydrophobicContact CZ-CG 4.45Å; F167-M224 HydrophobicContact CZ-SD 3.87Å
168	A	93.1	Very high	95.9	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	137.6	168.7	0	0	0	0	0	111	E119 R170 H171	E119-A168 HydrophobicContact CG-CB 4.03Å; E119-A168 VanDerWaalsContact OE1-CB 3.26Å; E119-A168 WeakPolarHBondContact OE1-CB 3.29Å; E119-A168 VanDerWaalsContact OE2-CB 3.26Å; E119-A168 WeakPolarHBondContact OE2-CB 3.42Å; A168-R170 HydrophobicContact CB-CG 4.37Å; A168-R170 PolarHBondContact O-N 3.05Å; A168-H171 PolarHBondContact N-ND1 2.93Å; A168-H171 VanDerWaalsContact O-CB 3.23Å; A168-H171 WeakPolarHBondContact O-CB 3.37Å; A168-H171 PolarHBondContact O-N 3.37Å
169	A	94.4	Very high	95.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-55.1	-37	-177.8	0	0	0	0	0	112.3	E120 H171 F172 A289 T290 I292	E120-A169 HydrophobicContact CB-CB 4.23Å; E120-A169 PolarHBondContact O-N 3.06Å; A169-H171 PolarHBondContact O-N 3.13Å; A169-H171 VanDerWaalsContact O-N 3.09Å; A169-F172 PolarHBondContact O-N 3.03Å; A169-A289 CarbonylContact C-O 3.52Å; A169-T290 WeakPolarHBondContact CB-O 3.4Å; A169-I292 HydrophobicContact CB-CG1 4.07Å
170	R	92.3	Very high	95.6	Very high	82 Å²	82	49 Å²	49	31%	0.309	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58.9	-25.6	177.6	81.5	-174.7	160.1	-129.4	-3.9	113.5	E119 A168 F172 R173	E119-R170 VanDerWaalsContact OE1-CB 3.26Å; E119-R170 WeakPolarHBondContact OE1-CB 3.47Å; E119-R170 WeakPolarHBondContact OE1-CD 3.48Å; E119-R170 WeakPolarHBondContact OE1-CG 3.46Å; E119-R170 IonicContact OE1-CZ 2.68Å; E119-R170 IonicContact OE1-NE 3.7Å; E119-R170 PolarHBondContact OE1-NE 3.21Å; E119-R170 VanDerWaalsContact OE1-NE 3.15Å; E119-R170 IonicContact OE1-NH1 3.04Å; E119-R170 PolarHBondContact OE1-NH1 2.96Å; E119-R170 IonicContact OE2-CZ 3.46Å; E119-R170 IonicContact OE2-NE 2.73Å; E119-R170 IonicContact OE2-NH1 3.29Å; E119-R170 PolarHBondContact OE2-NH1 3.03Å; E119-R170 IonicContact OE2-NH2 3.86Å; E119-R170 PolarHBondContact OE2-NH2 3.02Å; E119-R170 VanDerWaalsContact OE2-NH2 3.17Å; A168-R170 HydrophobicContact CB-CG 4.37Å; A168-R170 PolarHBondContact O-N 3.05Å; R170-F172 PolarHBondContact O-N 3.01Å; R170-R173 WeakPolarHBondContact O-CB 3.39Å; R170-R173 PolarHBondContact O-N 2.86Å
171	H	94.5	Very high	95.4	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.218	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-63.7	-22.1	179.4	-61	162.9	0	0	0	112.1	A168 A169 P174 I217 R220	A168-H171 PolarHBondContact N-ND1 2.93Å; A168-H171 VanDerWaalsContact O-CB 3.23Å; A168-H171 WeakPolarHBondContact O-CB 3.37Å; A168-H171 PolarHBondContact O-N 3.37Å; A169-H171 PolarHBondContact O-N 3.13Å; A169-H171 VanDerWaalsContact O-N 3.09Å; H171-P174 WeakPolarHBondContact O-CD 3.16Å; H171-I217 HydrophobicContact CB-CD1 3.9Å; H171-I217 HydrophobicContact CB-CG1 4.5Å; H171-I217 WeakPolarHBondContact O-CB 3.49Å; H171-I217 WeakPolarHBondContact O-CG1 3.43Å; H171-R220 PolarHBondContact CE1-NH1 3.4Å
172	F	96.9	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-88.5	1.6	177.3	-64.3	-90	0	0	0	113.7	L122 I124 F167 A169 R170 P174 F175 I217 L221 I283 I292 F295	L122-F172 HydrophobicContact CD2-CD2 4.41Å; L122-F172 HydrophobicContact CD2-CE1 4.49Å; L122-F172 HydrophobicContact CD2-CE2 3.66Å; L122-F172 HydrophobicContact CD2-CZ 3.72Å; I124-F172 HydrophobicContact CD1-CE1 4.48Å; I124-F172 HydrophobicContact CD1-CZ 3.79Å; F167-F172 HydrophobicContact CB-CE2 3.7Å; F167-F172 HydrophobicContact CB-CZ 4.17Å; F167-F172 HydrophobicContact CG-CE2 4.34Å; F167-F172 HydrophobicContact CG-CZ 4.35Å; A169-F172 PolarHBondContact O-N 3.03Å; R170-F172 PolarHBondContact O-N 3.01Å; F172-P174 VanDerWaalsContact O-N 3.12Å; F172-F175 HydrophobicContact CB-CD2 4.17Å; F172-F175 AromaticContact CD1-CD2 3.95Å; F172-F175 HydrophobicContact CD1-CD2 3.95Å; F172-F175 AromaticContact CD1-CE2 3.83Å; F172-F175 HydrophobicContact CD1-CE2 3.83Å; F172-F175 WeakPolarHBondContact O-CB 3.42Å; F172-F175 WeakPolarHBondContact O-CD2 3.33Å; F172-F175 PolarHBondContact O-N 3.42Å; F172-I217 HydrophobicContact CD1-CG1 4.34Å; F172-I217 HydrophobicContact CE1-CD1 4.29Å; F172-I217 HydrophobicContact CE1-CG1 4.33Å; F172-I217 HydrophobicContact CE2-CD1 4.47Å; F172-I217 HydrophobicContact CZ-CD1 4.18Å; F172-L221 HydrophobicContact CE1-CD1 4.21Å; F172-L221 HydrophobicContact CE1-CD2 4.46Å; F172-L221 HydrophobicContact CZ-CD2 4.41Å; F172-I283 HydrophobicContact CB-CD1 3.76Å; F172-I283 HydrophobicContact CD1-CD1 3.52Å; F172-I283 HydrophobicContact CE1-CD1 4.38Å; F172-I283 HydrophobicContact CG-CD1 3.84Å; F172-I292 HydrophobicContact CB-CD1 3.86Å; F172-I292 HydrophobicContact CB-CG1 4.46Å; F172-I292 HydrophobicContact CD2-CD1 4.44Å; F172-I292 HydrophobicContact CD2-CG1 4.13Å; F172-I292 HydrophobicContact CG-CD1 4.31Å; F172-I292 HydrophobicContact CG-CG1 4.42Å; F172-F295 HydrophobicContact CD1-CD2 4.24Å; F172-F295 HydrophobicContact CD1-CE2 4.27Å; F172-F295 AromaticContact CE1-CD2 3.77Å; F172-F295 HydrophobicContact CE1-CD2 3.77Å; F172-F295 AromaticContact CE1-CE2 3.68Å; F172-F295 HydrophobicContact CE1-CE2 3.68Å; F172-F295 HydrophobicContact CE1-CG 4.34Å; F172-F295 HydrophobicContact CE1-CZ 4.21Å
173	R	96.1	Very high	95.3	Very high	173 Å²	173	53 Å²	53	65%	0.653	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-49.1	-34.8	172.7	-170	176.4	-176	145.1	2.6	114.5	R170 F175 L176 A289	R170-R173 WeakPolarHBondContact O-CB 3.39Å; R170-R173 PolarHBondContact O-N 2.86Å; R173-F175 PolarHBondContact O-N 3.38Å; R173-F175 VanDerWaalsContact O-N 3.12Å; R173-L176 HydrophobicContact CG-CD1 4.11Å; R173-L176 WeakPolarHBondContact O-CB 3.39Å; R173-L176 PolarHBondContact O-N 2.8Å; R173-A289 HydrophobicContact CB-CB 4.07Å; R173-A289 HydrophobicContact CG-CB 4.35Å
174	P	96.5	Very high	95.3	Very high	25 Å²	25	48.6 Å²	48.6	16%	0.162	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.9	-23.9	173	-31.5	40.4	0	0	0	115.9	H171 F172 I189 K214 I217	H171-P174 WeakPolarHBondContact O-CD 3.16Å; F172-P174 VanDerWaalsContact O-N 3.12Å; P174-I189 HydrophobicContact CB-CG2 4.29Å; P174-K214 HydrophobicContact CB-CB 3.97Å; P174-K214 HydrophobicContact CB-CD 4.31Å; P174-K214 HydrophobicContact CB-CG 3.87Å; P174-K214 HydrophobicContact CG-CB 4.37Å; P174-K214 HydrophobicContact CG-CG 4.23Å; P174-I217 HydrophobicContact CB-CG2 4.22Å; P174-I217 HydrophobicContact CG-CG2 3.95Å
175	F	97.7	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-82	-10.6	178.3	-67.8	-87.2	0	0	0	113.9	F172 R173 I189 I217 I218 F256 I283 L285	F172-F175 HydrophobicContact CB-CD2 4.17Å; F172-F175 AromaticContact CD1-CD2 3.95Å; F172-F175 HydrophobicContact CD1-CD2 3.95Å; F172-F175 AromaticContact CD1-CE2 3.83Å; F172-F175 HydrophobicContact CD1-CE2 3.83Å; F172-F175 WeakPolarHBondContact O-CB 3.42Å; F172-F175 WeakPolarHBondContact O-CD2 3.33Å; F172-F175 PolarHBondContact O-N 3.42Å; R173-F175 PolarHBondContact O-N 3.38Å; R173-F175 VanDerWaalsContact O-N 3.12Å; F175-I189 HydrophobicContact CD1-CD1 3.54Å; F175-I189 HydrophobicContact CE1-CD1 4.05Å; F175-I189 HydrophobicContact CG-CD1 4.22Å; F175-I217 HydrophobicContact CE2-CG1 4.34Å; F175-I217 HydrophobicContact CE2-CG2 4.17Å; F175-I218 HydrophobicContact CE1-CD1 4.2Å; F175-I218 HydrophobicContact CE2-CD1 4.11Å; F175-I218 HydrophobicContact CZ-CD1 3.43Å; F175-I218 VanDerWaalsContact CZ-CD1 3.43Å; F175-F256 AromaticContact CD1-CD1 3.79Å; F175-F256 HydrophobicContact CD1-CD1 3.79Å; F175-F256 AromaticContact CD1-CE1 3.93Å; F175-F256 HydrophobicContact CD1-CE1 3.93Å; F175-F256 HydrophobicContact CD1-CG 4.15Å; F175-F256 HydrophobicContact CD1-CZ 4.38Å; F175-F256 AromaticContact CE1-CD1 3.66Å; F175-F256 HydrophobicContact CE1-CD1 3.66Å; F175-F256 AromaticContact CE1-CD2 3.78Å; F175-F256 HydrophobicContact CE1-CD2 3.78Å; F175-F256 AromaticContact CE1-CE1 3.58Å; F175-F256 HydrophobicContact CE1-CE1 3.58Å; F175-F256 AromaticContact CE1-CE2 3.66Å; F175-F256 HydrophobicContact CE1-CE2 3.66Å; F175-F256 AromaticContact CE1-CG 3.76Å; F175-F256 HydrophobicContact CE1-CG 3.76Å; F175-F256 AromaticContact CE1-CZ 3.58Å; F175-F256 HydrophobicContact CE1-CZ 3.58Å; F175-F256 HydrophobicContact CZ-CE1 4.38Å; F175-F256 HydrophobicContact CZ-CE2 4.18Å; F175-F256 HydrophobicContact CZ-CZ 4.05Å; F175-I283 HydrophobicContact CB-CG2 4.06Å; F175-I283 HydrophobicContact CD1-CG2 4.24Å; F175-I283 HydrophobicContact CD2-CD1 4.48Å; F175-I283 HydrophobicContact CG-CG2 4.23Å; F175-L285 HydrophobicContact CB-CD1 4.32Å
176	L	97.4	Very high	95.4	Very high	31 Å²	31	50.9 Å²	50.9	16%	0.162	29%	0.286	C	S	.	.	S	Bend	trans	-62.7	140.2	174.7	-74	176.7	0	0	0	110.7	R173 Y252 L285 A289	R173-L176 HydrophobicContact CG-CD1 4.11Å; R173-L176 WeakPolarHBondContact O-CB 3.39Å; R173-L176 PolarHBondContact O-N 2.8Å; L176-Y252 HydrophobicContact CD2-CD2 4.23Å; L176-L285 HydrophobicContact CD2-CD1 3.68Å; L176-L285 HydrophobicContact CD2-CG 3.93Å; L176-L285 HydrophobicContact CG-CD1 4.03Å; L176-A289 HydrophobicContact CD1-CB 3.73Å; L176-A289 HydrophobicContact CD2-CB 4.42Å; L176-A289 HydrophobicContact CG-CB 4.03Å
177	P	97.1	Very high	95.6	Very high	21 Å²	21	48.9 Å²	48.9	14%	0.136	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.7	150.2	176	29.2	-36.5	0	0	0	111.1	Q181 W187 L244 Y252	P177-Q181 HydrophobicContact CB-CB 3.61Å; P177-Q181 HydrophobicContact CB-CG 3.9Å; P177-W187 HydrophobicContact CB-CH2 4.06Å; P177-W187 HydrophobicContact CB-CZ2 4.25Å; P177-W187 HydrophobicContact CB-CZ3 4.33Å; P177-L244 HydrophobicContact CB-CD1 4.04Å; P177-L244 HydrophobicContact CB-CD2 4.33Å; P177-L244 HydrophobicContact CB-CG 4.24Å; P177-L244 HydrophobicContact CG-CD1 4.13Å; P177-L244 HydrophobicContact CG-CD2 4.06Å; P177-L244 HydrophobicContact CG-CG 4.42Å; P177-Y252 HydrophobicContact CG-CD2 3.81Å; P177-Y252 HydrophobicContact CG-CE1 4.47Å; P177-Y252 HydrophobicContact CG-CE2 3.63Å; P177-Y252 HydrophobicContact CG-CG 4.31Å
178	P	95.8	Very high	95.8	Very high	55 Å²	55	53.5 Å²	53.5	36%	0.357	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-64.8	159.5	168.3	30	-34.7	0	0	0	111	G180 Q181 W187	P178-G180 PolarHBondContact O-N 3.2Å; P178-Q181 HydrophobicContact CG-CB 4.37Å; P178-Q181 WeakPolarHBondContact O-CB 3.36Å; P178-Q181 PolarHBondContact O-N 3.46Å; P178-W187 HydrophobicContact CG-CB 4.38Å; P178-W187 HydrophobicContact CG-CG 4.28Å
179	P	94.1	Very high	96	Very high	139 Å²	139	53.1 Å²	53.1	90%	0.903	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.4	176.9	-24.3	34.1	0	0	0	112
180	G	92.8	Very high	96.1	Very high	75 Å²	75	53.3 Å²	53.3	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	5.3	178.6	0	0	0	0	0	115.6	P178 E182	P178-G180 PolarHBondContact O-N 3.2Å; G180-E182 PolarHBondContact O-N 3.2Å
181	Q	94.1	Very high	96.1	Very high	31 Å²	31	53.1 Å²	53.1	15%	0.145	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-62.1	128.8	177.7	-165.2	67.8	37.1	0	0	112.3	P177 P178 Q185 W187 L244	P177-Q181 HydrophobicContact CB-CB 3.61Å; P177-Q181 HydrophobicContact CB-CG 3.9Å; P178-Q181 HydrophobicContact CG-CB 4.37Å; P178-Q181 WeakPolarHBondContact O-CB 3.36Å; P178-Q181 PolarHBondContact O-N 3.46Å; Q181-Q185 VanDerWaalsContact NE2-C 3.31Å; Q181-Q185 VanDerWaalsContact NE2-CB 3.35Å; Q181-Q185 PolarHBondContact NE2-O 3.49Å; Q181-W187 HydrophobicContact CG-CD2 4.46Å; Q181-W187 HydrophobicContact CG-CE3 3.66Å; Q181-W187 HydrophobicContact CG-CZ3 3.81Å; Q181-L244 HydrophobicContact CB-CD1 4.13Å; Q181-L244 HydrophobicContact CG-CD1 4.03Å; Q181-L244 HydrophobicContact CG-CG 4.43Å
182	E	94.7	Very high	95.9	Very high	139 Å²	139	52.6 Å²	52.6	65%	0.65	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-91.5	160.5	176.7	-63.6	-176.1	177.1	0	0	112.7	G180 G184 Q185	G180-E182 PolarHBondContact O-N 3.2Å; E182-G184 PolarHBondContact O-N 3.35Å; E182-Q185 HydrophobicContact CB-CB 4.29Å; E182-Q185 PolarHBondContact O-N 3.02Å; E182-Q185 VanDerWaalsContact O-N 3.17Å
183	L	96.5	Very high	95.4	Very high	33 Å²	33	58.9 Å²	58.9	17%	0.173	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-57.3	124.9	176.6	-168.6	80.5	0	0	0	111	Q185 L244 I247 Q373 L375 R383	L183-Q185 PolarHBondContact O-N 3.26Å; L183-Q185 VanDerWaalsContact O-N 3.16Å; L183-L244 HydrophobicContact CD1-CB 4.39Å; L183-I247 HydrophobicContact CB-CD1 4.45Å; L183-I247 HydrophobicContact CD1-CD1 4.26Å; L183-I247 HydrophobicContact CD1-CG1 4.14Å; L183-Q373 HydrophobicContact CD1-CB 4.41Å; L183-Q373 HydrophobicContact CD2-CB 4.09Å; L183-L375 HydrophobicContact CD1-CB 4.43Å; L183-L375 HydrophobicContact CD2-CB 3.98Å; L183-L375 HydrophobicContact CG-CB 4.07Å; L183-R383 PolarHBondContact O-NH1 3.46Å
184	G	97	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	-3.2	179.5	0	0	0	0	0	115.6	E182 P186 L244 L375 R383	E182-G184 PolarHBondContact O-N 3.35Å; G184-P186 WeakPolarHBondContact O-CD 3.33Å; G184-L244 WeakPolarHBondContact CA-O 3.47Å; G184-L244 PolarHBondContact N-O 3.4Å; G184-L375 VanDerWaalsContact CA-CD2 3.44Å; G184-R383 VanDerWaalsContact C-NH1 3.28Å; G184-R383 WeakPolarHBondContact O-CD 3.21Å; G184-R383 PolarHBondContact O-NH1 3.47Å
185	Q	97.4	Very high	93.6	Very high	92 Å²	92	53.2 Å²	53.2	43%	0.43	31%	0.311	S	S	.	.			trans	-69.2	127.7	172.7	-175.8	-177.7	16.7	0	0	108.3	Q181 E182 L183	Q181-Q185 VanDerWaalsContact NE2-C 3.31Å; Q181-Q185 VanDerWaalsContact NE2-CB 3.35Å; Q181-Q185 PolarHBondContact NE2-O 3.49Å; E182-Q185 HydrophobicContact CB-CB 4.29Å; E182-Q185 PolarHBondContact O-N 3.02Å; E182-Q185 VanDerWaalsContact O-N 3.17Å; L183-Q185 PolarHBondContact O-N 3.26Å; L183-Q185 VanDerWaalsContact O-N 3.16Å
186	P	97.8	Very high	92	Very high	46 Å²	46	57.3 Å²	57.3	30%	0.299	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.7	177.2	-20.8	34.8	0	0	0	112.6	G184 V241 A242 R383 L384 A387	G184-P186 WeakPolarHBondContact O-CD 3.33Å; P186-V241 HydrophobicContact CB-CG2 3.93Å; P186-A242 CarbonylContact C-O 3.52Å; P186-A242 VanDerWaalsContact CA-O 3.25Å; P186-A242 WeakPolarHBondContact CA-O 3.34Å; P186-R383 HydrophobicContact CG-CB 4.14Å; P186-L384 HydrophobicContact CB-CD2 4.45Å; P186-A387 HydrophobicContact CB-CB 3.77Å; P186-A387 HydrophobicContact CG-CB 3.97Å
187	W	97.9	Very high	90.4	Very high	20 Å²	20	65.1 Å²	65.1	8%	0.076	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.9	165.1	76.8	95.8	0	0	0	110.9	P177 P178 Q181 V241 A242 C243 L244 V254	P177-W187 HydrophobicContact CB-CH2 4.06Å; P177-W187 HydrophobicContact CB-CZ2 4.25Å; P177-W187 HydrophobicContact CB-CZ3 4.33Å; P178-W187 HydrophobicContact CG-CB 4.38Å; P178-W187 HydrophobicContact CG-CG 4.28Å; Q181-W187 HydrophobicContact CG-CD2 4.46Å; Q181-W187 HydrophobicContact CG-CE3 3.66Å; Q181-W187 HydrophobicContact CG-CZ3 3.81Å; W187-V241 CarbonylContact O-C 3.35Å; W187-V241 WeakPolarHBondContact O-CA 3.43Å; W187-V241 WeakPolarHBondContact O-CG2 3.31Å; W187-A242 HydrophobicContact CD2-CB 4.13Å; W187-A242 HydrophobicContact CE3-CB 4.4Å; W187-A242 HydrophobicContact CH2-CB 3.83Å; W187-A242 HydrophobicContact CZ2-CB 3.47Å; W187-A242 VanDerWaalsContact CZ2-CB 3.47Å; W187-A242 HydrophobicContact CZ3-CB 4.3Å; W187-A242 PolarHBondContact N-O 3.33Å; W187-A242 PolarHBondContact O-N 2.79Å; W187-C243 VanDerWaalsContact CZ3-C 3.41Å; W187-L244 HydrophobicContact CH2-CD2 4.44Å; W187-L244 HydrophobicContact CH2-CG 4.22Å; W187-L244 HydrophobicContact CZ3-CG 4.05Å; W187-V254 HydrophobicContact CH2-CG1 3.66Å; W187-V254 HydrophobicContact CH2-CG2 4.14Å; W187-V254 HydrophobicContact CZ2-CG1 3.9Å
188	W	97.2	Very high	89.1	Confident	102 Å²	102	67.2 Å²	67.2	39%	0.386	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.5	176.8	-67	94.5	0	0	0	110.6	P191 Q238 V241 M388	W188-P191 HydrophobicContact CB-CB 4.34Å; W188-Q238 VanDerWaalsContact CZ3-O 3.29Å; W188-Q238 WeakPolarHBondContact CZ3-O 3.17Å; W188-V241 HydrophobicContact CD2-CB 4.5Å; W188-V241 HydrophobicContact CE3-CB 4.21Å; W188-V241 HydrophobicContact CZ3-CB 4.27Å; W188-M388 HydrophobicContact CE3-CE 4.42Å; W188-M388 HydrophobicContact CH2-CE 3.8Å; W188-M388 HydrophobicContact CH2-CG 4.18Å; W188-M388 HydrophobicContact CH2-SD 3.54Å; W188-M388 VanDerWaalsContact CH2-SD 3.54Å; W188-M388 HydrophobicContact CZ3-CE 3.42Å; W188-M388 VanDerWaalsContact CZ3-CE 3.42Å; W188-M388 HydrophobicContact CZ3-SD 3.81Å
189	I	97.4	Very high	88	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-48.3	166.9	-61.7	178.6	0	0	0	108.6	P174 F175 K214 T240 A242	P174-I189 HydrophobicContact CB-CG2 4.29Å; F175-I189 HydrophobicContact CD1-CD1 3.54Å; F175-I189 HydrophobicContact CE1-CD1 4.05Å; F175-I189 HydrophobicContact CG-CD1 4.22Å; I189-K214 HydrophobicContact CG2-CB 4.34Å; I189-K214 HydrophobicContact CG2-CD 4.08Å; I189-K214 WeakPolarHBondContact O-CD 3.35Å; I189-T240 HydrophobicContact CB-CG2 3.95Å; I189-T240 HydrophobicContact CD1-CG2 4.02Å; I189-T240 HydrophobicContact CG1-CG2 4.35Å; I189-T240 PolarHBondContact N-O 2.92Å; I189-A242 HydrophobicContact CD1-CB 3.59Å; I189-A242 HydrophobicContact CG1-CB 3.91Å
190	I	96.3	Very high	87.4	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.8	175.3	-60.8	166.6	0	0	0	106.3	K214 E215 I218 V231 G239 T240	I190-K214 HydrophobicContact CG1-CB 4.27Å; I190-E215 HydrophobicContact CD1-CB 4.32Å; I190-E215 HydrophobicContact CD1-CG 3.92Å; I190-E215 HydrophobicContact CG1-CG 4.22Å; I190-E215 HydrophobicContact CG2-CG 4.11Å; I190-I218 HydrophobicContact CD1-CB 4.25Å; I190-I218 HydrophobicContact CD1-CG1 3.68Å; I190-V231 HydrophobicContact CD1-CG1 3.73Å; I190-G239 CarbonylContact O-C 3.5Å; I190-G239 WeakPolarHBondContact O-CA 3.46Å; I190-T240 PolarHBondContact N-O 3.22Å; I190-T240 PolarHBondContact O-N 3.12Å
191	P	93.8	Very high	87	Confident	78 Å²	78	62.3 Å²	62.3	51%	0.506	33%	0.327	S	S	.	.			trans	-71.7	153	177.3	30.6	-34.1	0	0	0	110.9	W188	W188-P191 HydrophobicContact CB-CB 4.34Å
192	G	89.3	Confident	86.5	Confident	36 Å²	36	62 Å²	62	37%	0.371	33%	0.329	S	S	.	.			trans	-69.2	150	168.6	0	0	0	0	0	112.1
193	E	87.1	Confident	86.1	Confident	133 Å²	133	56.5 Å²	56.5	62%	0.621	30%	0.304	S	S	*	.			trans	-105	-9.2	174.3	-66.3	177.8	178.8	0	0	112	K232	E193-K232 VanDerWaalsContact CD-NZ 3.26Å; E193-K232 HydrophobicContact CG-CD 4.37Å; E193-K232 IonicContact OE1-NZ 3.44Å; E193-K232 PolarHBondContact OE1-NZ 2.78Å; E193-K232 IonicContact OE2-NZ 3.63Å
194	L	83.9	Confident	85.5	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.126	31%	0.311	C	S	.	.			trans	-95.5	143.6	178.2	-58.2	-178.8	0	0	0	111.8	T198 G199 L201 R234 A236 Q238	L194-T198 VanDerWaalsContact CA-OG1 3.25Å; L194-T198 WeakPolarHBondContact CA-OG1 3.37Å; L194-G199 WeakPolarHBondContact CD2-O 3.18Å; L194-L201 HydrophobicContact CD1-CG 4.2Å; L194-L201 HydrophobicContact CD2-CD2 4.01Å; L194-L201 HydrophobicContact CD2-CG 4.22Å; L194-R234 WeakPolarHBondContact CD1-O 3.37Å; L194-A236 HydrophobicContact CB-CB 4.24Å; L194-Q238 HydrophobicContact CD1-CG 4.18Å; L194-Q238 VanDerWaalsContact CD1-NE2 3.31Å; L194-Q238 VanDerWaalsContact CG-CD 3.49Å; L194-Q238 HydrophobicContact CG-CG 4.37Å
195	S	70.2	Confident	85.2	Confident	54 Å²	54	59.1 Å²	59.1	38%	0.378	32%	0.316	S	S	.	.			trans	-139.2	173.8	167.6	66.4	0	0	0	0	108.8	F197 T198	S195-F197 PolarHBondContact O-N 3.42Å; S195-F197 PolarHBondContact OG-N 2.8Å; S195-T198 PolarHBondContact N-OG1 3.39Å; S195-T198 PolarHBondContact O-N 2.9Å; S195-T198 PolarHBondContact O-OG1 3.19Å
196	V	64.2	Low	84.7	Confident	86 Å²	86	56.5 Å²	56.5	52%	0.521	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29	173.1	-176.5	0	0	0	0	111.9	E436	V196-E436 WeakPolarHBondContact CG2-O 3.49Å
197	F	63.4	Low	84.5	Confident	195 Å²	195	59.3 Å²	59.3	86%	0.855	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.9	-179.1	-55	-71.2	0	0	0	114.9	S195	S195-F197 PolarHBondContact O-N 3.42Å; S195-F197 PolarHBondContact OG-N 2.8Å
198	T	71.2	Confident	84.2	Confident	65 Å²	65	59.2 Å²	59.2	40%	0.399	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-12.4	-176.4	57.5	0	0	0	0	113.1	L194 S195	L194-T198 VanDerWaalsContact CA-OG1 3.25Å; L194-T198 WeakPolarHBondContact CA-OG1 3.37Å; S195-T198 PolarHBondContact N-OG1 3.39Å; S195-T198 PolarHBondContact O-N 2.9Å; S195-T198 PolarHBondContact O-OG1 3.19Å
199	G	72.3	Confident	83.9	Confident	33 Å²	33	57.4 Å²	57.4	34%	0.34	31%	0.312	S	S	.	.			trans	66.1	-164.7	-172.6	0	0	0	0	0	113.2	L194	L194-G199 WeakPolarHBondContact CD2-O 3.18Å
200	Y	80.7	Confident	83.5	Confident	108 Å²	108	59.3 Å²	59.3	42%	0.424	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-97.1	159.3	-178.8	-50.3	-52.3	0	0	0	112	F235	Y200-F235 HydrophobicContact CD1-CB 4.46Å; Y200-F235 AromaticContact CD1-CD1 3.53Å; Y200-F235 HydrophobicContact CD1-CD1 3.53Å; Y200-F235 HydrophobicContact CD1-CE1 4.28Å; Y200-F235 HydrophobicContact CD1-CG 4.44Å; Y200-F235 HydrophobicContact CD2-CD1 4.13Å; Y200-F235 HydrophobicContact CD2-CE1 4.11Å; Y200-F235 HydrophobicContact CE1-CD1 4.01Å; Y200-F235 AromaticContact CG-CD1 3.59Å; Y200-F235 HydrophobicContact CG-CD1 3.59Å; Y200-F235 AromaticContact CG-CE1 3.86Å; Y200-F235 HydrophobicContact CG-CE1 3.86Å
201	L	84.8	Confident	83.3	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.131	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-79.7	150.2	172.7	-55.1	174.9	0	0	0	110.8	L194 R234	L194-L201 HydrophobicContact CD1-CG 4.2Å; L194-L201 HydrophobicContact CD2-CD2 4.01Å; L194-L201 HydrophobicContact CD2-CG 4.22Å; L201-R234 HydrophobicContact CB-CB 4.32Å; L201-R234 HydrophobicContact CB-CG 4.14Å; L201-R234 PolarHBondContact N-O 3.12Å
202	S	84.4	Confident	83.2	Confident	26 Å²	26	64.3 Å²	64.3	18%	0.182	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.4	147	-177.8	170	0	0	0	0	113.2	N204 R205 E317	S202-N204 VanDerWaalsContact C-N 3.28Å; S202-N204 PolarHBondContact O-N 2.94Å; S202-N204 PolarHBondContact OG-N 3.28Å; S202-N204 VanDerWaalsContact OG-N 3.08Å; S202-R205 VanDerWaalsContact O-CD 3.31Å; S202-R205 WeakPolarHBondContact O-CD 3.48Å; S202-R205 WeakPolarHBondContact O-CG 3.37Å; S202-E317 PolarHBondContact OG-OE1 3.04Å
203	N	85.7	Confident	83.4	Confident	22 Å²	22	65.7 Å²	65.7	12%	0.118	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.4	175.1	-60.4	-52.7	0	0	0	113.4	R205 R234 P271 W273 L312 E317 M321	N203-R205 PolarHBondContact O-N 3.49Å; N203-R234 PolarHBondContact OD1-NH1 3.15Å; N203-P271 VanDerWaalsContact O-CB 3.29Å; N203-P271 WeakPolarHBondContact O-CB 3.28Å; N203-P271 WeakPolarHBondContact O-CG 3.34Å; N203-W273 PolarHBondContact O-NE1 3.44Å; N203-L312 HydrophobicContact CB-CD1 4.23Å; N203-E317 HydrophobicContact CB-CG 4.23Å; N203-E317 PolarHBondContact N-OE1 2.68Å; N203-E317 PolarHBondContact ND2-OE2 3.03Å; N203-M321 HydrophobicContact CB-CE 3.68Å; N203-M321 WeakPolarHBondContact ND2-CE 3.43Å
204	N	84.7	Confident	83.7	Confident	62 Å²	62	64 Å²	64	33%	0.332	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	16.6	-175.8	-75.2	-48.2	0	0	0	114.7	S202 L312 E317	S202-N204 VanDerWaalsContact C-N 3.28Å; S202-N204 PolarHBondContact O-N 2.94Å; S202-N204 PolarHBondContact OG-N 3.28Å; S202-N204 VanDerWaalsContact OG-N 3.08Å; N204-L312 WeakPolarHBondContact OD1-CD1 3.44Å; N204-E317 PolarHBondContact ND2-OE1 3.46Å
205	R	88.7	Confident	84.3	Confident	26 Å²	26	64.4 Å²	64.4	10%	0.098	35%	0.347	C	S	.	.			trans	-88.1	123.1	179.6	-58.3	163.3	67.5	-148.2	9.3	110	S202 N203 F230 W273	S202-R205 VanDerWaalsContact O-CD 3.31Å; S202-R205 WeakPolarHBondContact O-CD 3.48Å; S202-R205 WeakPolarHBondContact O-CG 3.37Å; N203-R205 PolarHBondContact O-N 3.49Å; R205-F230 HydrophobicContact CB-CE1 4.13Å; R205-F230 HydrophobicContact CB-CZ 4.17Å; R205-F230 VanDerWaalsContact NH2-CD1 3.33Å; R205-W273 HydrophobicContact CB-CH2 3.86Å; R205-W273 HydrophobicContact CB-CZ2 3.8Å; R205-W273 WeakPolarHBondContact O-CH2 3.28Å; R205-W273 WeakPolarHBondContact O-CZ2 3.33Å
206	F	88.1	Confident	85.5	Confident	37 Å²	37	64.7 Å²	64.7	16%	0.162	35%	0.346	C	S	.	.			trans	-96.3	-40	177.5	-78.1	-88.1	0	0	0	113.1	Q263 P267 D269 P271	F206-Q263 VanDerWaalsContact O-CG 3.24Å; F206-Q263 WeakPolarHBondContact O-CG 3.43Å; F206-P267 VanDerWaalsContact CD1-CD 3.47Å; F206-P267 HydrophobicContact CD1-CG 3.87Å; F206-P267 HydrophobicContact CD2-CG 4.12Å; F206-P267 HydrophobicContact CE1-CG 3.93Å; F206-P267 HydrophobicContact CE2-CG 4.19Å; F206-P267 HydrophobicContact CG-CG 3.92Å; F206-P267 HydrophobicContact CZ-CG 4.07Å; F206-D269 WeakPolarHBondContact CE1-O 3.44Å; F206-D269 WeakPolarHBondContact CZ-O 3.45Å; F206-P271 HydrophobicContact CD2-CG 4.38Å; F206-P271 HydrophobicContact CE1-CG 4.07Å; F206-P271 HydrophobicContact CE2-CG 3.72Å; F206-P271 VanDerWaalsContact CZ-CD 3.44Å; F206-P271 HydrophobicContact CZ-CG 3.58Å
207	Y	92.4	Very high	87.1	Confident	105 Å²	105	61 Å²	61	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	-116.5	139.5	-171.7	-57.2	-73	0	0	0	110.9	R228 F230	Y207-R228 HydrophobicContact CD1-CG 4.47Å; Y207-F230 WeakPolarHBondContact O-CE1 3.48Å; Y207-F230 VanDerWaalsContact O-CZ 3.22Å; Y207-F230 WeakPolarHBondContact O-CZ 3.37Å
208	P	92.6	Very high	88.7	Confident	19 Å²	19	51.8 Å²	51.8	12%	0.123	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-66.2	144.6	177.2	28.6	-34.4	0	0	0	110.5	P229 F230	P208-P229 WeakPolarHBondContact CB-O 3.36Å; P208-F230 HydrophobicContact CB-CD1 4.25Å; P208-F230 HydrophobicContact CB-CD2 4.15Å; P208-F230 HydrophobicContact CB-CE1 4.3Å; P208-F230 HydrophobicContact CB-CE2 4.18Å; P208-F230 HydrophobicContact CB-CG 4.2Å; P208-F230 HydrophobicContact CB-CZ 4.28Å
209	P	90.4	Very high	90	Very high	64 Å²	64	49.1 Å²	49.1	42%	0.416	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63.3	150.8	170.9	29.2	-34.1	0	0	0	109.7
210	P	89.9	Confident	91.2	Very high	43 Å²	43	51.1 Å²	51.1	28%	0.279	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-56.3	124.3	175.9	-24.8	33.8	0	0	0	110.8	V103 A106	V103-P210 HydrophobicContact CG1-CG 3.96Å; A106-P210 HydrophobicContact CB-CB 4.39Å; A106-P210 HydrophobicContact CB-CG 3.97Å
211	P	92.3	Very high	92	Very high	23 Å²	23	46 Å²	46	15%	0.149	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-66.9	140	-177.1	29.4	-35.8	0	0	0	110.6	Y108 E215 V216 H219	Y108-P211 HydrophobicContact CE1-CG 3.88Å; P211-E215 HydrophobicContact CB-CB 3.97Å; P211-V216 HydrophobicContact CB-CG2 4.28Å; P211-V216 HydrophobicContact CG-CG2 4.39Å; P211-H219 HydrophobicContact CB-CB 3.77Å; P211-H219 HydrophobicContact CG-CB 3.87Å
212	K	91.5	Very high	92.6	Very high	164 Å²	164	44.9 Å²	44.9	71%	0.713	24%	0.237	S	C	*	.			trans	-119.5	140.8	-179.4	-64.9	177.6	-175.3	173.7	0	112.1	K214 E215	K212-K214 PolarHBondContact O-N 3.47Å; K212-K214 VanDerWaalsContact O-N 3.14Å; K212-E215 PolarHBondContact N-OE2 2.92Å; K212-E215 VanDerWaalsContact N-OE2 3.14Å; K212-E215 WeakPolarHBondContact O-CB 3.33Å; K212-E215 WeakPolarHBondContact O-CG 3.28Å; K212-E215 PolarHBondContact O-N 3.14Å
213	G	93	Very high	93.3	Very high	66 Å²	66	45 Å²	45	68%	0.68	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-118.1	173.4	0	0	0	0	0	112.8	E215 V216	G213-E215 PolarHBondContact O-N 3.17Å; G213-V216 WeakPolarHBondContact O-CG2 3.27Å; G213-V216 PolarHBondContact O-N 3.21Å
214	K	94.2	Very high	93.9	Very high	98 Å²	98	44.1 Å²	44.1	43%	0.426	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.4	-178.2	-63.4	-176.7	176	-174.3	0	113.8	P174 I189 I190 K212 V216	P174-K214 HydrophobicContact CB-CB 3.97Å; P174-K214 HydrophobicContact CB-CD 4.31Å; P174-K214 HydrophobicContact CB-CG 3.87Å; P174-K214 HydrophobicContact CG-CB 4.37Å; P174-K214 HydrophobicContact CG-CG 4.23Å; I189-K214 HydrophobicContact CG2-CB 4.34Å; I189-K214 HydrophobicContact CG2-CD 4.08Å; I189-K214 WeakPolarHBondContact O-CD 3.35Å; I190-K214 HydrophobicContact CG1-CB 4.27Å; K212-K214 PolarHBondContact O-N 3.47Å; K212-K214 VanDerWaalsContact O-N 3.14Å; K214-V216 VanDerWaalsContact C-N 3.27Å; K214-V216 PolarHBondContact O-N 3.2Å
215	E	95.6	Very high	94.5	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.15	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-24.5	178.1	-60.6	173	175.1	0	0	112.6	I190 P211 K212 G213 I217 I218 H219 V231 K232	I190-E215 HydrophobicContact CD1-CB 4.32Å; I190-E215 HydrophobicContact CD1-CG 3.92Å; I190-E215 HydrophobicContact CG1-CG 4.22Å; I190-E215 HydrophobicContact CG2-CG 4.11Å; P211-E215 HydrophobicContact CB-CB 3.97Å; K212-E215 PolarHBondContact N-OE2 2.92Å; K212-E215 VanDerWaalsContact N-OE2 3.14Å; K212-E215 WeakPolarHBondContact O-CB 3.33Å; K212-E215 WeakPolarHBondContact O-CG 3.28Å; K212-E215 PolarHBondContact O-N 3.14Å; G213-E215 PolarHBondContact O-N 3.17Å; E215-I217 PolarHBondContact O-N 2.98Å; E215-I218 PolarHBondContact O-N 3.02Å; E215-H219 WeakPolarHBondContact O-CB 3.41Å; E215-H219 PolarHBondContact O-N 3.1Å; E215-V231 HydrophobicContact CB-CG1 4.24Å; E215-V231 HydrophobicContact CG-CG1 4.26Å; E215-K232 VanDerWaalsContact OE1-CE 3.32Å; E215-K232 WeakPolarHBondContact OE1-CE 3.35Å; E215-K232 IonicContact OE1-NZ 2.78Å; E215-K232 PolarHBondContact OE1-NZ 3.47Å
216	V	96.5	Very high	95	Very high	59 Å²	59	40.7 Å²	40.7	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-47.1	-172.9	176	0	0	0	0	111.8	P211 G213 K214 H219 R220	P211-V216 HydrophobicContact CB-CG2 4.28Å; P211-V216 HydrophobicContact CG-CG2 4.39Å; G213-V216 WeakPolarHBondContact O-CG2 3.27Å; G213-V216 PolarHBondContact O-N 3.21Å; K214-V216 VanDerWaalsContact C-N 3.27Å; K214-V216 PolarHBondContact O-N 3.2Å; V216-H219 PolarHBondContact O-N 2.89Å; V216-R220 WeakPolarHBondContact O-CG 3.43Å; V216-R220 PolarHBondContact O-N 3.26Å
217	I	96.5	Very high	95.3	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-41	179.7	-176	53.5	0	0	0	111.6	F167 H171 F172 P174 F175 E215 R220 L221	F167-I217 HydrophobicContact CD1-CD1 3.77Å; F167-I217 HydrophobicContact CE1-CD1 4.04Å; H171-I217 HydrophobicContact CB-CD1 3.9Å; H171-I217 HydrophobicContact CB-CG1 4.5Å; H171-I217 WeakPolarHBondContact O-CB 3.49Å; H171-I217 WeakPolarHBondContact O-CG1 3.43Å; F172-I217 HydrophobicContact CD1-CG1 4.34Å; F172-I217 HydrophobicContact CE1-CD1 4.29Å; F172-I217 HydrophobicContact CE1-CG1 4.33Å; F172-I217 HydrophobicContact CE2-CD1 4.47Å; F172-I217 HydrophobicContact CZ-CD1 4.18Å; P174-I217 HydrophobicContact CB-CG2 4.22Å; P174-I217 HydrophobicContact CG-CG2 3.95Å; F175-I217 HydrophobicContact CE2-CG1 4.34Å; F175-I217 HydrophobicContact CE2-CG2 4.17Å; E215-I217 PolarHBondContact O-N 2.98Å; I217-R220 PolarHBondContact O-N 3.14Å; I217-L221 HydrophobicContact CD1-CD1 4.26Å; I217-L221 HydrophobicContact CD1-CG 4.17Å; I217-L221 HydrophobicContact CG1-CD1 4.05Å; I217-L221 HydrophobicContact CG1-CG 4.47Å; I217-L221 WeakPolarHBondContact O-CB 3.33Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.43Å; I217-L221 PolarHBondContact O-N 3.48Å
218	I	97.4	Very high	95.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-45.1	178	-56.3	-51.6	0	0	0	110.5	F175 I190 E215 R220 L221 L222 V231 I258	F175-I218 HydrophobicContact CE1-CD1 4.2Å; F175-I218 HydrophobicContact CE2-CD1 4.11Å; F175-I218 HydrophobicContact CZ-CD1 3.43Å; F175-I218 VanDerWaalsContact CZ-CD1 3.43Å; I190-I218 HydrophobicContact CD1-CB 4.25Å; I190-I218 HydrophobicContact CD1-CG1 3.68Å; E215-I218 PolarHBondContact O-N 3.02Å; I218-R220 PolarHBondContact O-N 3.2Å; I218-L221 PolarHBondContact O-N 3.1Å; I218-L222 HydrophobicContact CG2-CD1 3.85Å; I218-L222 HydrophobicContact CG2-CG 4.3Å; I218-L222 WeakPolarHBondContact O-CB 3.21Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.42Å; I218-L222 PolarHBondContact O-N 3.03Å; I218-V231 HydrophobicContact CB-CG1 4.12Å; I218-V231 HydrophobicContact CB-CG2 4.48Å; I218-V231 HydrophobicContact CG2-CG1 3.86Å; I218-V231 HydrophobicContact CG2-CG2 4.25Å; I218-I258 HydrophobicContact CD1-CD1 3.78Å; I218-I258 HydrophobicContact CG2-CD1 4.07Å; I218-I258 HydrophobicContact CG2-CG2 4.04Å
219	H	98	Very high	95.7	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-51.2	174.6	179.7	-81.5	0	0	0	111	Y108 P211 E215 V216 L221 L222 S223 V231	Y108-H219 AromaticContact CE1-CE1 3.96Å; Y108-H219 AromaticContact CZ-CE1 3.54Å; Y108-H219 AromaticContact CZ-NE2 3.98Å; Y108-H219 PolarHBondContact OH-CE1 2.93Å; Y108-H219 PolarHBondContact OH-NE2 3.39Å; Y108-H219 VanDerWaalsContact OH-NE2 3.13Å; P211-H219 HydrophobicContact CB-CB 3.77Å; P211-H219 HydrophobicContact CG-CB 3.87Å; E215-H219 WeakPolarHBondContact O-CB 3.41Å; E215-H219 PolarHBondContact O-N 3.1Å; V216-H219 PolarHBondContact O-N 2.89Å; H219-L221 PolarHBondContact O-N 3.47Å; H219-L222 PolarHBondContact O-N 3.19Å; H219-S223 PolarHBondContact CE1-OG 2.89Å; H219-S223 PolarHBondContact ND1-OG 3.33Å; H219-S223 WeakPolarHBondContact O-CB 3.31Å; H219-S223 PolarHBondContact O-N 3.03Å; H219-S223 PolarHBondContact O-OG 3.34Å; H219-V231 HydrophobicContact CB-CG2 3.76Å
220	R	97.2	Very high	96	Very high	76 Å²	76	34.8 Å²	34.8	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-42.3	-179.6	-70.9	176.4	68.3	152.6	11.1	113	E110 F167 H171 V216 I217 I218 S223 M224	E110-R220 IonicContact OE1-CZ 2.63Å; E110-R220 IonicContact OE1-NH1 3.96Å; E110-R220 PolarHBondContact OE1-NH1 3.33Å; E110-R220 IonicContact OE1-NH2 2.86Å; E110-R220 PolarHBondContact OE1-NH2 3.16Å; F167-R220 HydrophobicContact CE1-CB 3.81Å; H171-R220 PolarHBondContact CE1-NH1 3.4Å; V216-R220 WeakPolarHBondContact O-CG 3.43Å; V216-R220 PolarHBondContact O-N 3.26Å; I217-R220 PolarHBondContact O-N 3.14Å; I218-R220 PolarHBondContact O-N 3.2Å; R220-S223 PolarHBondContact O-N 2.67Å; R220-M224 PolarHBondContact O-N 3.46Å
221	L	98.1	Very high	96.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-50.6	175.6	-72.8	166.1	0	0	0	110.7	I124 F167 F172 I217 I218 H219 S223 M224 F295 L333	I124-L221 HydrophobicContact CD1-CD2 3.63Å; F167-L221 HydrophobicContact CE1-CD2 4.27Å; F167-L221 HydrophobicContact CE1-CG 4.48Å; F167-L221 HydrophobicContact CE2-CD2 4.15Å; F167-L221 HydrophobicContact CZ-CD2 3.9Å; F167-L221 HydrophobicContact CZ-CG 4.45Å; F172-L221 HydrophobicContact CE1-CD1 4.21Å; F172-L221 HydrophobicContact CE1-CD2 4.46Å; F172-L221 HydrophobicContact CZ-CD2 4.41Å; I217-L221 HydrophobicContact CD1-CD1 4.26Å; I217-L221 HydrophobicContact CD1-CG 4.17Å; I217-L221 HydrophobicContact CG1-CD1 4.05Å; I217-L221 HydrophobicContact CG1-CG 4.47Å; I217-L221 WeakPolarHBondContact O-CB 3.33Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.43Å; I217-L221 PolarHBondContact O-N 3.48Å; I218-L221 PolarHBondContact O-N 3.1Å; H219-L221 PolarHBondContact O-N 3.47Å; L221-S223 VanDerWaalsContact C-N 3.29Å; L221-S223 PolarHBondContact O-N 2.88Å; L221-M224 VanDerWaalsContact O-CB 3.24Å; L221-M224 WeakPolarHBondContact O-CB 3.42Å; L221-M224 WeakPolarHBondContact O-CG 3.23Å; L221-M224 PolarHBondContact O-N 3.03Å; L221-M224 VanDerWaalsContact O-N 3.11Å; L221-F295 HydrophobicContact CD1-CE2 4.26Å; L221-F295 HydrophobicContact CD1-CZ 3.76Å; L221-F295 HydrophobicContact CD2-CE1 4.01Å; L221-F295 HydrophobicContact CD2-CZ 3.91Å; L221-F295 HydrophobicContact CG-CZ 4.48Å; L221-L333 HydrophobicContact CB-CD1 3.91Å; L221-L333 HydrophobicContact CD2-CD1 3.99Å; L221-L333 WeakPolarHBondContact O-CD1 3.33Å
222	L	98.3	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-29.6	-179.7	-64.3	177.1	0	0	0	112.8	I218 H219 M224 F225 H226 P229 A260 F262 F279 L297	I218-L222 HydrophobicContact CG2-CD1 3.85Å; I218-L222 HydrophobicContact CG2-CG 4.3Å; I218-L222 WeakPolarHBondContact O-CB 3.21Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.42Å; I218-L222 PolarHBondContact O-N 3.03Å; H219-L222 PolarHBondContact O-N 3.19Å; L222-M224 PolarHBondContact O-N 3.37Å; L222-F225 WeakPolarHBondContact O-CB 3.49Å; L222-F225 PolarHBondContact O-N 2.84Å; L222-H226 PolarHBondContact O-N 3.34Å; L222-P229 HydrophobicContact CB-CB 3.56Å; L222-P229 HydrophobicContact CB-CG 4.04Å; L222-P229 HydrophobicContact CD1-CB 4.32Å; L222-A260 HydrophobicContact CD1-CB 3.43Å; L222-A260 VanDerWaalsContact CD1-CB 3.43Å; L222-F262 HydrophobicContact CB-CE1 4.38Å; L222-F262 HydrophobicContact CB-CZ 4.46Å; L222-F262 HydrophobicContact CD2-CZ 4.4Å; L222-F279 HydrophobicContact CD2-CD1 4.2Å; L222-F279 HydrophobicContact CD2-CD2 4.16Å; L222-F279 HydrophobicContact CD2-CE1 3.84Å; L222-F279 HydrophobicContact CD2-CE2 3.81Å; L222-F279 HydrophobicContact CD2-CG 4.35Å; L222-F279 HydrophobicContact CD2-CZ 3.63Å; L222-L297 HydrophobicContact CD2-CD2 4.24Å
223	S	98.1	Very high	96.5	Very high	28 Å²	28	25.7 Å²	25.7	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-20.6	173.7	-67.9	0	0	0	0	113.1	H219 R220 L221 F225 H226 P229	H219-S223 PolarHBondContact CE1-OG 2.89Å; H219-S223 PolarHBondContact ND1-OG 3.33Å; H219-S223 WeakPolarHBondContact O-CB 3.31Å; H219-S223 PolarHBondContact O-N 3.03Å; H219-S223 PolarHBondContact O-OG 3.34Å; R220-S223 PolarHBondContact O-N 2.67Å; L221-S223 VanDerWaalsContact C-N 3.29Å; L221-S223 PolarHBondContact O-N 2.88Å; S223-F225 PolarHBondContact O-N 3.02Å; S223-H226 WeakPolarHBondContact CA-O 3.34Å; S223-P229 WeakPolarHBondContact OG-CG 3.45Å
224	M	98.2	Very high	96.5	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.02	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.1	170.9	-62.7	-179.8	66.3	0	0	111.9	I124 A126 A160 A161 S162 A165 F167 R220 L221 L222 L333	I124-M224 HydrophobicContact CB-CE 4.36Å; I124-M224 HydrophobicContact CB-SD 4.45Å; I124-M224 HydrophobicContact CG2-CE 4Å; I124-M224 HydrophobicContact CG2-SD 4.03Å; I124-M224 WeakPolarHBondContact O-CE 3.32Å; A126-M224 HydrophobicContact CB-CE 4.21Å; A160-M224 CarbonylContact C-O 3.58Å; A161-M224 PolarHBondContact N-O 3.35Å; S162-M224 PolarHBondContact N-O 3.02Å; A165-M224 HydrophobicContact CB-CE 3.74Å; A165-M224 HydrophobicContact CB-CG 4.22Å; A165-M224 HydrophobicContact CB-SD 3.9Å; F167-M224 HydrophobicContact CE2-SD 3.73Å; F167-M224 HydrophobicContact CZ-CG 4.45Å; F167-M224 HydrophobicContact CZ-SD 3.87Å; R220-M224 PolarHBondContact O-N 3.46Å; L221-M224 VanDerWaalsContact O-CB 3.24Å; L221-M224 WeakPolarHBondContact O-CB 3.42Å; L221-M224 WeakPolarHBondContact O-CG 3.23Å; L221-M224 PolarHBondContact O-N 3.03Å; L221-M224 VanDerWaalsContact O-N 3.11Å; L222-M224 PolarHBondContact O-N 3.37Å; M224-L333 HydrophobicContact CB-CD2 4.09Å; M224-L333 HydrophobicContact CE-CD2 4.19Å; M224-L333 HydrophobicContact SD-CD1 4.09Å; M224-L333 HydrophobicContact SD-CD2 4.05Å
225	F	98.3	Very high	96.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-47.7	176.9	-64.2	-63.5	0	0	0	112.6	A126 F128 W157 A161 L222 S223 F262 F279 M331 L333	A126-F225 HydrophobicContact CB-CE1 4.32Å; F128-F225 HydrophobicContact CB-CD1 4.4Å; F128-F225 HydrophobicContact CD2-CD1 4.2Å; W157-F225 HydrophobicContact CZ2-CB 4.1Å; W157-F225 PolarHBondContact NE1-O 2.85Å; A161-F225 PolarHBondContact N-O 3.47Å; L222-F225 WeakPolarHBondContact O-CB 3.49Å; L222-F225 PolarHBondContact O-N 2.84Å; S223-F225 PolarHBondContact O-N 3.02Å; F225-F262 HydrophobicContact CB-CE1 4.41Å; F225-F262 HydrophobicContact CB-CZ 4.43Å; F225-F279 HydrophobicContact CD2-CE1 4.41Å; F225-F279 AromaticContact CE2-CE1 3.99Å; F225-F279 HydrophobicContact CE2-CE1 3.99Å; F225-M331 HydrophobicContact CB-CE 3.54Å; F225-M331 HydrophobicContact CD1-CE 3.94Å; F225-M331 HydrophobicContact CD1-CG 3.96Å; F225-M331 HydrophobicContact CD2-CE 3.45Å; F225-M331 VanDerWaalsContact CD2-CE 3.45Å; F225-M331 HydrophobicContact CD2-CG 4.31Å; F225-M331 HydrophobicContact CE1-CE 4.47Å; F225-M331 HydrophobicContact CE1-CG 3.67Å; F225-M331 HydrophobicContact CE2-CE 4.03Å; F225-M331 HydrophobicContact CE2-CG 4.02Å; F225-M331 HydrophobicContact CG-CE 3.38Å; F225-M331 HydrophobicContact CG-CG 4.26Å; F225-M331 HydrophobicContact CZ-CE 4.49Å; F225-M331 HydrophobicContact CZ-CG 3.68Å; F225-L333 HydrophobicContact CD1-CD2 4.41Å; F225-L333 HydrophobicContact CD2-CD2 4.4Å; F225-L333 HydrophobicContact CE1-CD2 3.75Å; F225-L333 HydrophobicContact CE1-CG 4.36Å; F225-L333 HydrophobicContact CE2-CD1 4.07Å; F225-L333 HydrophobicContact CE2-CD2 3.75Å; F225-L333 HydrophobicContact CE2-CG 3.63Å; F225-L333 HydrophobicContact CZ-CD1 4.43Å; F225-L333 HydrophobicContact CZ-CD2 3.39Å; F225-L333 HydrophobicContact CZ-CG 3.51Å
226	H	97.7	Very high	96	Very high	17 Å²	17	17.8 Å²	17.8	8%	0.079	10%	0.095	C	C	.	.			trans	-153.3	140.4	-176	-174.1	-87.8	0	0	0	110.7	W157 L222 S223 R228 P229 F262 Q263	W157-H226 HydrophobicContact CH2-CB 4.37Å; W157-H226 HydrophobicContact CZ2-CB 3.67Å; L222-H226 PolarHBondContact O-N 3.34Å; S223-H226 WeakPolarHBondContact CA-O 3.34Å; H226-R228 PolarHBondContact ND1-N 3.4Å; H226-R228 PolarHBondContact O-N 3.11Å; H226-R228 VanDerWaalsContact O-N 3.08Å; H226-P229 WeakPolarHBondContact O-CD 3.36Å; H226-F262 HydrophobicContact CB-CD1 3.65Å; H226-F262 HydrophobicContact CB-CE1 4.02Å; H226-F262 HydrophobicContact CB-CG 4.44Å; H226-Q263 PolarHBondContact CE1-O 3.23Å
227	P	95.5	Very high	95.8	Very high	79 Å²	79	15.9 Å²	15.9	51%	0.513	8%	0.084	S	C	.	.	S	Bend	trans	-65.5	-14.7	-172.4	25	-36.9	0	0	0	115.7	P229	P227-P229 VanDerWaalsContact O-CD 3.32Å; P227-P229 WeakPolarHBondContact O-CD 3.35Å
228	R	96.4	Very high	95.6	Very high	21 Å²	21	15.7 Å²	15.7	8%	0.079	8%	0.083	C	C	.	.			trans	-119.2	64.1	-177.9	-63.1	-177.7	-65.3	-88.2	4.2	113.3	Y207 H226 Q263 L264 E266	Y207-R228 HydrophobicContact CD1-CG 4.47Å; H226-R228 PolarHBondContact ND1-N 3.4Å; H226-R228 PolarHBondContact O-N 3.11Å; H226-R228 VanDerWaalsContact O-N 3.08Å; R228-Q263 PolarHBondContact NE-O 3.16Å; R228-Q263 PolarHBondContact NH2-O 2.77Å; R228-Q263 PolarHBondContact O-N 3.14Å; R228-L264 PolarHBondContact NH2-O 3.41Å; R228-E266 VanDerWaalsContact CZ-CG 3.42Å; R228-E266 IonicContact CZ-OE1 3.67Å; R228-E266 VanDerWaalsContact NH1-CG 3.35Å; R228-E266 IonicContact NH1-OE1 3.27Å; R228-E266 PolarHBondContact NH1-OE1 3.45Å; R228-E266 IonicContact NH1-OE2 3.63Å; R228-E266 IonicContact NH2-OE1 4Å
229	P	97.4	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.2	174.2	34.4	-31.1	0	0	0	111	P208 L222 S223 H226 P227 F262	P208-P229 WeakPolarHBondContact CB-O 3.36Å; L222-P229 HydrophobicContact CB-CB 3.56Å; L222-P229 HydrophobicContact CB-CG 4.04Å; L222-P229 HydrophobicContact CD1-CB 4.32Å; S223-P229 WeakPolarHBondContact OG-CG 3.45Å; H226-P229 WeakPolarHBondContact O-CD 3.36Å; P227-P229 VanDerWaalsContact O-CD 3.32Å; P227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-F262 HydrophobicContact CB-CD1 3.97Å; P229-F262 HydrophobicContact CB-CE1 3.75Å
230	F	97	Very high	95.5	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	106.8	169.4	-74.2	-105.6	0	0	0	108.7	R205 Y207 P208 K232 A260 E261 Q263 W273	R205-F230 HydrophobicContact CB-CE1 4.13Å; R205-F230 HydrophobicContact CB-CZ 4.17Å; R205-F230 VanDerWaalsContact NH2-CD1 3.33Å; Y207-F230 WeakPolarHBondContact O-CE1 3.48Å; Y207-F230 VanDerWaalsContact O-CZ 3.22Å; Y207-F230 WeakPolarHBondContact O-CZ 3.37Å; P208-F230 HydrophobicContact CB-CD1 4.25Å; P208-F230 HydrophobicContact CB-CD2 4.15Å; P208-F230 HydrophobicContact CB-CE1 4.3Å; P208-F230 HydrophobicContact CB-CE2 4.18Å; P208-F230 HydrophobicContact CB-CG 4.2Å; P208-F230 HydrophobicContact CB-CZ 4.28Å; F230-K232 PolarHBondContact O-N 3.43Å; F230-A260 VanDerWaalsContact O-CA 3.26Å; F230-A260 WeakPolarHBondContact O-CA 3.42Å; F230-A260 VanDerWaalsContact O-CB 3.3Å; F230-A260 WeakPolarHBondContact O-CB 3.41Å; F230-E261 HydrophobicContact CB-CG 3.78Å; F230-E261 HydrophobicContact CG-CG 4.45Å; F230-E261 PolarHBondContact N-O 3.33Å; F230-E261 PolarHBondContact O-N 2.94Å; F230-Q263 HydrophobicContact CD2-CB 4.42Å; F230-Q263 HydrophobicContact CE2-CB 3.72Å; F230-W273 HydrophobicContact CD1-CH2 4.2Å; F230-W273 HydrophobicContact CD1-CZ3 4.24Å; F230-W273 HydrophobicContact CD2-CH2 4.16Å; F230-W273 AromaticContact CD2-CZ3 3.68Å; F230-W273 HydrophobicContact CD2-CZ3 3.68Å; F230-W273 AromaticContact CE1-CH2 3.87Å; F230-W273 HydrophobicContact CE1-CH2 3.87Å; F230-W273 HydrophobicContact CE1-CZ3 4.3Å; F230-W273 AromaticContact CE2-CH2 3.84Å; F230-W273 HydrophobicContact CE2-CH2 3.84Å; F230-W273 AromaticContact CE2-CZ3 3.76Å; F230-W273 HydrophobicContact CE2-CZ3 3.76Å; F230-W273 HydrophobicContact CG-CH2 4.32Å; F230-W273 AromaticContact CG-CZ3 3.92Å; F230-W273 HydrophobicContact CG-CZ3 3.92Å; F230-W273 AromaticContact CZ-CH2 3.66Å; F230-W273 HydrophobicContact CZ-CH2 3.66Å; F230-W273 HydrophobicContact CZ-CZ3 4.05Å
231	V	96	Very high	95.5	Very high	11 Å²	11	11.6 Å²	11.6	7%	0.067	7%	0.067	C	C	.	.	S	Bend	trans	-64.4	-21.2	179.1	-180	0	0	0	0	112.5	I190 E215 I218 H219 H259	I190-V231 HydrophobicContact CD1-CG1 3.73Å; E215-V231 HydrophobicContact CB-CG1 4.24Å; E215-V231 HydrophobicContact CG-CG1 4.26Å; I218-V231 HydrophobicContact CB-CG1 4.12Å; I218-V231 HydrophobicContact CB-CG2 4.48Å; I218-V231 HydrophobicContact CG2-CG1 3.86Å; I218-V231 HydrophobicContact CG2-CG2 4.25Å; H219-V231 HydrophobicContact CB-CG2 3.76Å; V231-H259 VanDerWaalsContact O-O 3.11Å
232	K	93.9	Very high	95.5	Very high	27 Å²	27	11.5 Å²	11.5	12%	0.117	7%	0.067	C	C	.	.	S	Bend	trans	-119.8	115.9	171.9	-75.3	172.7	172.2	151.8	0	108.6	E193 E215 F230	E193-K232 VanDerWaalsContact CD-NZ 3.26Å; E193-K232 HydrophobicContact CG-CD 4.37Å; E193-K232 IonicContact OE1-NZ 3.44Å; E193-K232 PolarHBondContact OE1-NZ 2.78Å; E193-K232 IonicContact OE2-NZ 3.63Å; E215-K232 VanDerWaalsContact OE1-CE 3.32Å; E215-K232 WeakPolarHBondContact OE1-CE 3.35Å; E215-K232 IonicContact OE1-NZ 2.78Å; E215-K232 PolarHBondContact OE1-NZ 3.47Å; F230-K232 PolarHBondContact O-N 3.43Å
233	T	94.1	Very high	95.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.			trans	-62.6	158.8	177.4	45.6	0	0	0	0	112.2	F235 Q238 H259 E261 Q425	T233-F235 PolarHBondContact O-N 3.33Å; T233-F235 PolarHBondContact OG1-O 2.9Å; T233-Q238 PolarHBondContact O-NE2 3.09Å; T233-H259 HydrophobicContact CG2-CB 4.11Å; T233-E261 WeakPolarHBondContact CA-OE1 3.45Å; T233-E261 HydrophobicContact CG2-CB 4.25Å; T233-E261 HydrophobicContact CG2-CG 4.34Å; T233-Q425 HydrophobicContact CG2-CG 4.45Å
234	R	92.3	Very high	95.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-61.5	-24.9	173.4	-77.9	169.9	-61.9	134.7	9.8	113.9	L194 L201 N203 E261 W273 E310	L194-R234 WeakPolarHBondContact CD1-O 3.37Å; L201-R234 HydrophobicContact CB-CB 4.32Å; L201-R234 HydrophobicContact CB-CG 4.14Å; L201-R234 PolarHBondContact N-O 3.12Å; N203-R234 PolarHBondContact OD1-NH1 3.15Å; R234-E261 WeakPolarHBondContact CG-OE1 3.25Å; R234-E261 IonicContact CZ-OE2 2.6Å; R234-E261 PolarHBondContact N-OE1 3.17Å; R234-E261 IonicContact NE-OE1 2.69Å; R234-E261 IonicContact NE-OE2 3.19Å; R234-E261 PolarHBondContact NE-OE2 3.26Å; R234-E261 IonicContact NH2-OE2 3.02Å; R234-E261 PolarHBondContact NH2-OE2 3.31Å; R234-W273 HydrophobicContact CG-CH2 4.37Å; R234-W273 HydrophobicContact CG-CZ2 4.37Å; R234-E310 IonicContact CZ-OE2 3.76Å; R234-E310 IonicContact NH1-OE1 2.88Å; R234-E310 IonicContact NH1-OE2 2.8Å; R234-E310 PolarHBondContact NH1-OE2 2.94Å; R234-E310 IonicContact NH2-OE1 3.39Å; R234-E310 PolarHBondContact NH2-OE1 3.29Å; R234-E310 IonicContact NH2-OE2 3.9Å
235	F	89.5	Confident	95.6	Very high	19 Å²	19	10.6 Å²	10.6	8%	0.083	6%	0.06	C	C	.	.	S	Bend	trans	-119.5	156.4	-174.8	-48.9	-80.5	0	0	0	111.7	Y200 T233 Q238 E310	Y200-F235 HydrophobicContact CD1-CB 4.46Å; Y200-F235 AromaticContact CD1-CD1 3.53Å; Y200-F235 HydrophobicContact CD1-CD1 3.53Å; Y200-F235 HydrophobicContact CD1-CE1 4.28Å; Y200-F235 HydrophobicContact CD1-CG 4.44Å; Y200-F235 HydrophobicContact CD2-CD1 4.13Å; Y200-F235 HydrophobicContact CD2-CE1 4.11Å; Y200-F235 HydrophobicContact CE1-CD1 4.01Å; Y200-F235 AromaticContact CG-CD1 3.59Å; Y200-F235 HydrophobicContact CG-CD1 3.59Å; Y200-F235 AromaticContact CG-CE1 3.86Å; Y200-F235 HydrophobicContact CG-CE1 3.86Å; T233-F235 PolarHBondContact O-N 3.33Å; T233-F235 PolarHBondContact OG1-O 2.9Å; F235-Q238 WeakPolarHBondContact O-CG 3.38Å; F235-E310 WeakPolarHBondContact CE2-OE1 3.45Å
236	A	89.8	Confident	95.5	Very high	11 Å²	11	10.8 Å²	10.8	9%	0.091	6%	0.062	C	C	.	.	S	Bend	trans	-79.9	167.3	173.1	0	0	0	0	0	111.7	L194 Q425 R435 E436	L194-A236 HydrophobicContact CB-CB 4.24Å; A236-Q425 PolarHBondContact O-NE2 2.91Å; A236-R435 PolarHBondContact O-NH2 2.97Å; A236-E436 VanDerWaalsContact C-OE1 3.29Å; A236-E436 WeakPolarHBondContact CB-OE1 3.36Å; A236-E436 VanDerWaalsContact O-OE1 3.06Å
237	P	92.3	Very high	95.5	Very high	20 Å²	20	11.3 Å²	11.3	13%	0.13	7%	0.065	C	C	.	.	S	Bend	cis	-64.4	139	-20.5	31.1	-37.5	0	0	0	111	H259 M388 Y389 Q425	P237-H259 PolarHBondContact O-ND1 3.24Å; P237-M388 HydrophobicContact CB-SD 3.81Å; P237-M388 HydrophobicContact CG-CB 4.18Å; P237-M388 WeakPolarHBondContact CG-O 3.45Å; P237-M388 HydrophobicContact CG-SD 3.91Å; P237-Y389 HydrophobicContact CG-CD1 4.14Å; P237-Y389 HydrophobicContact CG-CE1 3.49Å; P237-Y389 VanDerWaalsContact CG-CE1 3.49Å; P237-Y389 HydrophobicContact CG-CE2 4.13Å; P237-Q425 PolarHBondContact O-NE2 2.94Å
238	Q	93.2	Very high	95.6	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.019	4%	0.042	C	C	.	.	P	Polyproline II helix	trans	-98.4	163.1	178.7	-72.2	178.1	-35.1	0	0	111.8	W188 L194 T233 F235	W188-Q238 VanDerWaalsContact CZ3-O 3.29Å; W188-Q238 WeakPolarHBondContact CZ3-O 3.17Å; L194-Q238 HydrophobicContact CD1-CG 4.18Å; L194-Q238 VanDerWaalsContact CD1-NE2 3.31Å; L194-Q238 VanDerWaalsContact CG-CD 3.49Å; L194-Q238 HydrophobicContact CG-CG 4.37Å; T233-Q238 PolarHBondContact O-NE2 3.09Å; F235-Q238 WeakPolarHBondContact O-CG 3.38Å
239	G	94.3	Very high	95.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.4	-148.2	159.1	0	0	0	0	0	114.3	I190 I258 H259	I190-G239 CarbonylContact O-C 3.5Å; I190-G239 WeakPolarHBondContact O-CA 3.46Å; G239-I258 WeakPolarHBondContact O-CA 3.09Å; G239-H259 PolarHBondContact O-N 2.89Å
240	T	97.9	Very high	95.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.9	-171.7	-54.3	0	0	0	0	110.9	I189 I190 R257 I258	I189-T240 HydrophobicContact CB-CG2 3.95Å; I189-T240 HydrophobicContact CD1-CG2 4.02Å; I189-T240 HydrophobicContact CG1-CG2 4.35Å; I189-T240 PolarHBondContact N-O 2.92Å; I190-T240 PolarHBondContact N-O 3.22Å; I190-T240 PolarHBondContact O-N 3.12Å; T240-R257 WeakPolarHBondContact CA-O 3.14Å; T240-I258 HydrophobicContact CG2-CD1 4.45Å; T240-I258 HydrophobicContact CG2-CG1 3.61Å
241	V	98.1	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144	173.9	66.9	0	0	0	0	109.6	P186 W187 W188 F256 R257 L384 A387 M388	P186-V241 HydrophobicContact CB-CG2 3.93Å; W187-V241 CarbonylContact O-C 3.35Å; W187-V241 WeakPolarHBondContact O-CA 3.43Å; W187-V241 WeakPolarHBondContact O-CG2 3.31Å; W188-V241 HydrophobicContact CD2-CB 4.5Å; W188-V241 HydrophobicContact CE3-CB 4.21Å; W188-V241 HydrophobicContact CZ3-CB 4.27Å; V241-F256 CarbonylContact O-C 3.53Å; V241-F256 WeakPolarHBondContact O-CA 3.43Å; V241-F256 WeakPolarHBondContact O-CB 3.33Å; V241-R257 HydrophobicContact CG1-CB 3.97Å; V241-R257 PolarHBondContact N-O 3.01Å; V241-R257 PolarHBondContact O-N 2.72Å; V241-L384 HydrophobicContact CB-CD2 4.45Å; V241-L384 HydrophobicContact CG1-CB 4.16Å; V241-L384 HydrophobicContact CG1-CD2 4.01Å; V241-L384 HydrophobicContact CG2-CD2 3.91Å; V241-A387 HydrophobicContact CG2-CB 4.03Å; V241-M388 HydrophobicContact CB-CE 3.91Å; V241-M388 HydrophobicContact CB-CG 4.41Å; V241-M388 HydrophobicContact CG1-CE 3.57Å; V241-M388 HydrophobicContact CG1-CG 3.61Å; V241-M388 HydrophobicContact CG1-SD 4.43Å
242	A	98.5	Very high	95.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.1	179.9	0	0	0	0	0	111.7	P186 W187 I189 V254 M255 F256 L384	P186-A242 CarbonylContact C-O 3.52Å; P186-A242 VanDerWaalsContact CA-O 3.25Å; P186-A242 WeakPolarHBondContact CA-O 3.34Å; W187-A242 HydrophobicContact CD2-CB 4.13Å; W187-A242 HydrophobicContact CE3-CB 4.4Å; W187-A242 HydrophobicContact CH2-CB 3.83Å; W187-A242 HydrophobicContact CZ2-CB 3.47Å; W187-A242 VanDerWaalsContact CZ2-CB 3.47Å; W187-A242 HydrophobicContact CZ3-CB 4.3Å; W187-A242 PolarHBondContact N-O 3.33Å; W187-A242 PolarHBondContact O-N 2.79Å; I189-A242 HydrophobicContact CD1-CB 3.59Å; I189-A242 HydrophobicContact CG1-CB 3.91Å; A242-V254 HydrophobicContact CB-CG1 3.82Å; A242-M255 CarbonylContact C-O 3.57Å; A242-M255 VanDerWaalsContact CA-O 3.22Å; A242-M255 WeakPolarHBondContact CA-O 3.48Å; A242-F256 HydrophobicContact CB-CB 3.78Å; A242-L384 VanDerWaalsContact C-CD2 3.43Å
243	C	98.3	Very high	95.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.7	172	69.1	0	0	0	0	110.2	W187 M255 L384	W187-C243 VanDerWaalsContact CZ3-C 3.41Å; C243-M255 PolarHBondContact N-O 3.32Å; C243-M255 PolarHBondContact O-N 3.13Å; C243-L384 HydrophobicContact CB-CD2 3.81Å; C243-L384 HydrophobicContact CB-CG 4.49Å
244	L	98.3	Very high	95.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.1	173.6	-73.4	171.1	0	0	0	109.5	P177 Q181 L183 G184 W187 I247 Y252 T253 V254	P177-L244 HydrophobicContact CB-CD1 4.04Å; P177-L244 HydrophobicContact CB-CD2 4.33Å; P177-L244 HydrophobicContact CB-CG 4.24Å; P177-L244 HydrophobicContact CG-CD1 4.13Å; P177-L244 HydrophobicContact CG-CD2 4.06Å; P177-L244 HydrophobicContact CG-CG 4.42Å; Q181-L244 HydrophobicContact CB-CD1 4.13Å; Q181-L244 HydrophobicContact CG-CD1 4.03Å; Q181-L244 HydrophobicContact CG-CG 4.43Å; L183-L244 HydrophobicContact CD1-CB 4.39Å; G184-L244 WeakPolarHBondContact CA-O 3.47Å; G184-L244 PolarHBondContact N-O 3.4Å; W187-L244 HydrophobicContact CH2-CD2 4.44Å; W187-L244 HydrophobicContact CH2-CG 4.22Å; W187-L244 HydrophobicContact CZ3-CG 4.05Å; L244-I247 HydrophobicContact CD1-CD1 4.09Å; L244-I247 HydrophobicContact CD1-CG1 4.32Å; L244-Y252 HydrophobicContact CD1-CD1 4.32Å; L244-Y252 HydrophobicContact CD1-CE1 4.32Å; L244-Y252 HydrophobicContact CD2-CD1 3.62Å; L244-Y252 HydrophobicContact CD2-CE1 4.38Å; L244-Y252 HydrophobicContact CD2-CG 3.76Å; L244-T253 WeakPolarHBondContact CA-O 3.46Å; L244-V254 HydrophobicContact CD2-CG2 3.87Å
245	T	98.1	Very high	96.2	Very high	11 Å²	11	19.7 Å²	19.7	7%	0.067	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-19.9	175.3	57.3	0	0	0	0	113	T253 M255 E374 L375 A380	T245-T253 PolarHBondContact N-O 3.09Å; T245-T253 WeakPolarHBondContact OG1-CB 3.25Å; T245-T253 WeakPolarHBondContact OG1-CG2 3.48Å; T245-T253 PolarHBondContact OG1-O 3.36Å; T245-M255 HydrophobicContact CG2-CB 3.56Å; T245-E374 CarbonylContact O-C 3.39Å; T245-E374 WeakPolarHBondContact O-CA 3.32Å; T245-L375 PolarHBondContact O-N 3.2Å; T245-A380 HydrophobicContact CG2-CB 3.45Å; T245-A380 VanDerWaalsContact CG2-CB 3.45Å
246	A	97.8	Very high	96.7	Very high	5 Å²	5	18.8 Å²	18.8	4%	0.041	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.3	169	0	0	0	0	0	112	T253 W371 Q373 E374	A246-T253 PolarHBondContact N-O 3.05Å; A246-T253 PolarHBondContact O-N 3.33Å; A246-W371 HydrophobicContact CB-CD2 3.68Å; A246-W371 HydrophobicContact CB-CE3 3.42Å; A246-W371 VanDerWaalsContact CB-CE3 3.42Å; A246-W371 HydrophobicContact CB-CG 4.24Å; A246-W371 HydrophobicContact CB-CH2 4.28Å; A246-W371 HydrophobicContact CB-CZ2 4.5Å; A246-W371 HydrophobicContact CB-CZ3 3.75Å; A246-Q373 WeakPolarHBondContact CA-O 3.41Å; A246-E374 HydrophobicContact CB-CG 4.1Å
247	I	97.4	Very high	97.1	Very high	28 Å²	28	18.5 Å²	18.5	14%	0.144	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.5	179.7	-55.7	172.7	0	0	0	108.8	L183 L244 Y252 H372 Q373	L183-I247 HydrophobicContact CB-CD1 4.45Å; L183-I247 HydrophobicContact CD1-CD1 4.26Å; L183-I247 HydrophobicContact CD1-CG1 4.14Å; L244-I247 HydrophobicContact CD1-CD1 4.09Å; L244-I247 HydrophobicContact CD1-CG1 4.32Å; I247-Y252 HydrophobicContact CB-CD1 4.43Å; I247-Y252 HydrophobicContact CB-CE1 4.47Å; I247-Y252 HydrophobicContact CG1-CD1 4.04Å; I247-Y252 HydrophobicContact CG1-CE1 4.13Å; I247-Y252 HydrophobicContact CG2-CD1 4.17Å; I247-Y252 HydrophobicContact CG2-CE1 3.83Å; I247-H372 PolarHBondContact O-N 2.98Å; I247-Q373 PolarHBondContact N-O 2.74Å; I247-Q373 PolarHBondContact O-N 3.21Å
248	S	96.5	Very high	97.3	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.028	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-171.2	170	68.8	0	0	0	0	111	S250 Y251 K287 K370	S248-S250 VanDerWaalsContact C-N 3.34Å; S248-S250 PolarHBondContact OG-N 3.35Å; S248-Y251 PolarHBondContact N-O 2.92Å; S248-Y251 WeakPolarHBondContact OG-CA 3.35Å; S248-Y251 VanDerWaalsContact OG-CB 3.3Å; S248-Y251 WeakPolarHBondContact OG-CB 3.38Å; S248-Y251 PolarHBondContact OG-N 3.11Å; S248-Y251 PolarHBondContact OG-O 3.46Å; S248-K287 WeakPolarHBondContact O-CE 3.22Å; S248-K287 PolarHBondContact O-NZ 3.47Å; S248-K370 WeakPolarHBondContact CB-O 3.4Å
249	D	94.9	Very high	97.6	Very high	115 Å²	115	17.4 Å²	17.4	62%	0.615	9%	0.094	S	C	*	.	S	Bend	trans	-62	-42.3	173.3	-72	-36.4	0	0	0	112	K287 H372	D249-K287 WeakPolarHBondContact O-CD 3.41Å; D249-K287 VanDerWaalsContact O-CE 3.23Å; D249-K287 WeakPolarHBondContact O-CE 3.32Å; D249-K287 PolarHBondContact O-NZ 3.35Å; D249-H372 IonicContact OD1-CD2 3.63Å; D249-H372 IonicContact OD1-CE1 3.41Å; D249-H372 IonicContact OD1-NE2 3.35Å; D249-H372 PolarHBondContact OD1-NE2 2.98Å; D249-H372 IonicContact OD2-CE1 2.79Å; D249-H372 IonicContact OD2-NE2 2.78Å; D249-H372 PolarHBondContact OD2-NE2 3.32Å
250	S	95.4	Very high	97.7	Very high	75 Å²	75	17.4 Å²	17.4	52%	0.524	9%	0.094	S	C	.	.	S	Bend	trans	-116.7	-12.3	-170.8	-54.4	0	0	0	0	114.6	S248 S286 K287	S248-S250 VanDerWaalsContact C-N 3.34Å; S248-S250 PolarHBondContact OG-N 3.35Å; S250-S286 CarbonylContact O-C 3.52Å; S250-S286 VanDerWaalsContact O-CA 3.31Å; S250-S286 WeakPolarHBondContact O-CA 3.14Å; S250-K287 WeakPolarHBondContact O-CG 3.5Å; S250-K287 PolarHBondContact O-N 2.95Å
251	Y	97.2	Very high	97.7	Very high	46 Å²	46	17.4 Å²	17.4	18%	0.18	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.5	-173.3	-65.8	-95.2	0	0	0	113.7	S248 I284 L285 H291 R293 I369	S248-Y251 PolarHBondContact N-O 2.92Å; S248-Y251 WeakPolarHBondContact OG-CA 3.35Å; S248-Y251 VanDerWaalsContact OG-CB 3.3Å; S248-Y251 WeakPolarHBondContact OG-CB 3.38Å; S248-Y251 PolarHBondContact OG-N 3.11Å; S248-Y251 PolarHBondContact OG-O 3.46Å; Y251-I284 HydrophobicContact CD1-CG2 4.1Å; Y251-L285 WeakPolarHBondContact CA-O 2.92Å; Y251-H291 AromaticContact CE1-CD2 3.69Å; Y251-H291 AromaticContact CZ-CD2 3.92Å; Y251-H291 PolarHBondContact OH-CD2 3Å; Y251-H291 VanDerWaalsContact OH-CD2 3.27Å; Y251-R293 HydrophobicContact CD1-CB 4.49Å; Y251-R293 HydrophobicContact CE1-CB 4.09Å; Y251-I369 HydrophobicContact CD1-CD1 4.02Å; Y251-I369 HydrophobicContact CD2-CD1 3.9Å; Y251-I369 HydrophobicContact CD2-CG1 4.06Å; Y251-I369 HydrophobicContact CD2-CG2 4.23Å; Y251-I369 HydrophobicContact CE1-CD1 4.31Å; Y251-I369 HydrophobicContact CE2-CD1 4.24Å; Y251-I369 HydrophobicContact CE2-CG1 4.26Å; Y251-I369 HydrophobicContact CG-CD1 3.8Å; Y251-I369 HydrophobicContact CG-CG1 4.45Å
252	Y	97.9	Very high	97.7	Very high	50 Å²	50	17.4 Å²	17.4	20%	0.196	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.5	161.8	-67.2	-55.5	0	0	0	110	L176 P177 L244 I247 I284 L285 K287	L176-Y252 HydrophobicContact CD2-CD2 4.23Å; P177-Y252 HydrophobicContact CG-CD2 3.81Å; P177-Y252 HydrophobicContact CG-CE1 4.47Å; P177-Y252 HydrophobicContact CG-CE2 3.63Å; P177-Y252 HydrophobicContact CG-CG 4.31Å; L244-Y252 HydrophobicContact CD1-CD1 4.32Å; L244-Y252 HydrophobicContact CD1-CE1 4.32Å; L244-Y252 HydrophobicContact CD2-CD1 3.62Å; L244-Y252 HydrophobicContact CD2-CE1 4.38Å; L244-Y252 HydrophobicContact CD2-CG 3.76Å; I247-Y252 HydrophobicContact CB-CD1 4.43Å; I247-Y252 HydrophobicContact CB-CE1 4.47Å; I247-Y252 HydrophobicContact CG1-CD1 4.04Å; I247-Y252 HydrophobicContact CG1-CE1 4.13Å; I247-Y252 HydrophobicContact CG2-CD1 4.17Å; I247-Y252 HydrophobicContact CG2-CE1 3.83Å; Y252-I284 WeakPolarHBondContact O-CA 3.29Å; Y252-L285 PolarHBondContact N-O 3.37Å; Y252-L285 PolarHBondContact O-N 2.98Å; Y252-K287 HydrophobicContact CD2-CG 3.88Å; Y252-K287 HydrophobicContact CE2-CB 4.12Å; Y252-K287 HydrophobicContact CE2-CD 4.12Å; Y252-K287 HydrophobicContact CE2-CG 3.55Å
253	T	98	Very high	97.6	Very high	18 Å²	18	17.4 Å²	17.4	11%	0.11	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123	157.7	-55.3	0	0	0	0	107.4	L244 T245 A246 I283 I284 W371	L244-T253 WeakPolarHBondContact CA-O 3.46Å; T245-T253 PolarHBondContact N-O 3.09Å; T245-T253 WeakPolarHBondContact OG1-CB 3.25Å; T245-T253 WeakPolarHBondContact OG1-CG2 3.48Å; T245-T253 PolarHBondContact OG1-O 3.36Å; A246-T253 PolarHBondContact N-O 3.05Å; A246-T253 PolarHBondContact O-N 3.33Å; T253-I283 WeakPolarHBondContact CA-O 3.33Å; T253-I284 HydrophobicContact CG2-CG1 4.08Å; T253-W371 WeakPolarHBondContact OG1-CH2 3.43Å; T253-W371 WeakPolarHBondContact OG1-CZ2 3.45Å
254	V	98.6	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.5	179.7	178.7	0	0	0	0	108.3	W187 A242 L244 H282 I283 L285	W187-V254 HydrophobicContact CH2-CG1 3.66Å; W187-V254 HydrophobicContact CH2-CG2 4.14Å; W187-V254 HydrophobicContact CZ2-CG1 3.9Å; A242-V254 HydrophobicContact CB-CG1 3.82Å; L244-V254 HydrophobicContact CD2-CG2 3.87Å; V254-H282 CarbonylContact O-C 3.48Å; V254-H282 VanDerWaalsContact O-CA 3.26Å; V254-H282 WeakPolarHBondContact O-CA 3.4Å; V254-I283 HydrophobicContact CB-CG2 3.79Å; V254-I283 HydrophobicContact CG1-CG2 4.43Å; V254-I283 PolarHBondContact N-O 3.25Å; V254-I283 PolarHBondContact O-N 3.42Å; V254-L285 HydrophobicContact CG2-CD2 3.87Å
255	M	98.6	Very high	97.2	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.03	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.5	166.6	-175.6	179.3	-179.4	0	0	108.8	A242 C243 T245 T280 G281 W377 A380 A381 L384	A242-M255 CarbonylContact C-O 3.57Å; A242-M255 VanDerWaalsContact CA-O 3.22Å; A242-M255 WeakPolarHBondContact CA-O 3.48Å; C243-M255 PolarHBondContact N-O 3.32Å; C243-M255 PolarHBondContact O-N 3.13Å; T245-M255 HydrophobicContact CG2-CB 3.56Å; M255-T280 HydrophobicContact CE-CG2 3.79Å; M255-G281 WeakPolarHBondContact CA-O 3.38Å; M255-W377 HydrophobicContact CB-CZ3 4.38Å; M255-W377 HydrophobicContact CE-CD2 3.95Å; M255-W377 VanDerWaalsContact CE-CE2 3.41Å; M255-W377 HydrophobicContact CE-CE3 4.35Å; M255-W377 HydrophobicContact CE-CH2 3.84Å; M255-W377 HydrophobicContact CE-CZ2 3.37Å; M255-W377 HydrophobicContact CE-CZ3 4.3Å; M255-W377 HydrophobicContact CG-CE3 4.46Å; M255-W377 HydrophobicContact CG-CH2 3.94Å; M255-W377 HydrophobicContact CG-CZ2 4.43Å; M255-W377 HydrophobicContact CG-CZ3 3.95Å; M255-W377 HydrophobicContact SD-CD2 3.85Å; M255-W377 HydrophobicContact SD-CE3 3.79Å; M255-W377 HydrophobicContact SD-CH2 3.98Å; M255-W377 HydrophobicContact SD-CZ2 4.03Å; M255-W377 HydrophobicContact SD-CZ3 3.86Å; M255-A380 HydrophobicContact SD-CB 3.62Å; M255-A381 HydrophobicContact CE-CB 3.79Å; M255-L384 HydrophobicContact CB-CD1 4.33Å; M255-L384 HydrophobicContact CG-CD1 3.84Å; M255-L384 HydrophobicContact SD-CD1 4.27Å
256	F	98.6	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.9	-178.2	59.6	-91	0	0	0	112.7	F175 V241 A242 I258 G281 I283 F295 L297	F175-F256 AromaticContact CD1-CD1 3.79Å; F175-F256 HydrophobicContact CD1-CD1 3.79Å; F175-F256 AromaticContact CD1-CE1 3.93Å; F175-F256 HydrophobicContact CD1-CE1 3.93Å; F175-F256 HydrophobicContact CD1-CG 4.15Å; F175-F256 HydrophobicContact CD1-CZ 4.38Å; F175-F256 AromaticContact CE1-CD1 3.66Å; F175-F256 HydrophobicContact CE1-CD1 3.66Å; F175-F256 AromaticContact CE1-CD2 3.78Å; F175-F256 HydrophobicContact CE1-CD2 3.78Å; F175-F256 AromaticContact CE1-CE1 3.58Å; F175-F256 HydrophobicContact CE1-CE1 3.58Å; F175-F256 AromaticContact CE1-CE2 3.66Å; F175-F256 HydrophobicContact CE1-CE2 3.66Å; F175-F256 AromaticContact CE1-CG 3.76Å; F175-F256 HydrophobicContact CE1-CG 3.76Å; F175-F256 AromaticContact CE1-CZ 3.58Å; F175-F256 HydrophobicContact CE1-CZ 3.58Å; F175-F256 HydrophobicContact CZ-CE1 4.38Å; F175-F256 HydrophobicContact CZ-CE2 4.18Å; F175-F256 HydrophobicContact CZ-CZ 4.05Å; V241-F256 CarbonylContact O-C 3.53Å; V241-F256 WeakPolarHBondContact O-CA 3.43Å; V241-F256 WeakPolarHBondContact O-CB 3.33Å; A242-F256 HydrophobicContact CB-CB 3.78Å; F256-I258 HydrophobicContact CD2-CD1 3.87Å; F256-I258 HydrophobicContact CD2-CG1 3.98Å; F256-I258 HydrophobicContact CE2-CD1 3.69Å; F256-I258 HydrophobicContact CE2-CG1 4.3Å; F256-G281 VanDerWaalsContact CE1-C 3.47Å; F256-G281 PolarHBondContact N-O 3.37Å; F256-G281 PolarHBondContact O-N 3.33Å; F256-I283 HydrophobicContact CD1-CG2 4.33Å; F256-I283 HydrophobicContact CE1-CB 4.26Å; F256-I283 HydrophobicContact CE1-CG2 3.99Å; F256-F295 HydrophobicContact CE1-CE2 4.48Å; F256-F295 AromaticContact CZ-CE2 3.9Å; F256-F295 HydrophobicContact CZ-CE2 3.9Å; F256-L297 HydrophobicContact CE2-CD1 3.73Å; F256-L297 HydrophobicContact CZ-CD1 4.34Å
257	R	98.3	Very high	96.3	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.4	177.8	178.3	177.5	174.4	159.3	9.5	109.3	T240 V241 H259 Q278 F279 Y389 D423	T240-R257 WeakPolarHBondContact CA-O 3.14Å; V241-R257 HydrophobicContact CG1-CB 3.97Å; V241-R257 PolarHBondContact N-O 3.01Å; V241-R257 PolarHBondContact O-N 2.72Å; R257-H259 VanDerWaalsContact CZ-NE2 3.35Å; R257-H259 PolarHBondContact NE-NE2 2.71Å; R257-H259 PolarHBondContact NH2-NE2 3.25Å; R257-Q278 HydrophobicContact CG-CB 4.19Å; R257-Q278 VanDerWaalsContact NE-OE1 3.13Å; R257-Q278 VanDerWaalsContact NH1-OE1 3.12Å; R257-F279 CarbonylContact C-O 3.54Å; R257-F279 WeakPolarHBondContact CA-O 3.16Å; R257-Y389 VanDerWaalsContact CZ-CE2 3.49Å; R257-D423 PolarHBondContact NH1-O 2.96Å; R257-D423 PolarHBondContact NH2-O 2.95Å
258	I	98.3	Very high	95.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.9	-179.1	-56.8	165.7	0	0	0	109.1	I218 G239 T240 F256 A260 F279 L297	I218-I258 HydrophobicContact CD1-CD1 3.78Å; I218-I258 HydrophobicContact CG2-CD1 4.07Å; I218-I258 HydrophobicContact CG2-CG2 4.04Å; G239-I258 WeakPolarHBondContact O-CA 3.09Å; T240-I258 HydrophobicContact CG2-CD1 4.45Å; T240-I258 HydrophobicContact CG2-CG1 3.61Å; F256-I258 HydrophobicContact CD2-CD1 3.87Å; F256-I258 HydrophobicContact CD2-CG1 3.98Å; F256-I258 HydrophobicContact CE2-CD1 3.69Å; F256-I258 HydrophobicContact CE2-CG1 4.3Å; I258-A260 HydrophobicContact CG2-CB 4.26Å; I258-F279 HydrophobicContact CB-CB 4.2Å; I258-F279 PolarHBondContact N-O 3.43Å; I258-F279 PolarHBondContact O-N 2.88Å; I258-L297 HydrophobicContact CD1-CD1 4.02Å
259	H	97.7	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.2	164.6	-67.1	162.4	0	0	0	109.3	V231 T233 P237 G239 R257 M388 Y389 Q425	V231-H259 VanDerWaalsContact O-O 3.11Å; T233-H259 HydrophobicContact CG2-CB 4.11Å; P237-H259 PolarHBondContact O-ND1 3.24Å; G239-H259 PolarHBondContact O-N 2.89Å; R257-H259 VanDerWaalsContact CZ-NE2 3.35Å; R257-H259 PolarHBondContact NE-NE2 2.71Å; R257-H259 PolarHBondContact NH2-NE2 3.25Å; H259-M388 VanDerWaalsContact CE1-SD 3.54Å; H259-Y389 AromaticContact CE1-CE2 3.78Å; H259-Y389 AromaticContact CE1-CZ 3.68Å; H259-Y389 PolarHBondContact CE1-OH 3.23Å; H259-Y389 PolarHBondContact NE2-OH 3.37Å; H259-Q425 HydrophobicContact CB-CG 3.81Å; H259-Q425 VanDerWaalsContact CG-CG 3.48Å; H259-Q425 PolarHBondContact ND1-NE2 2.65Å
260	A	97.6	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.			trans	-145.4	159.1	178.2	0	0	0	0	0	109.1	L222 F230 I258 F279	L222-A260 HydrophobicContact CD1-CB 3.43Å; L222-A260 VanDerWaalsContact CD1-CB 3.43Å; F230-A260 VanDerWaalsContact O-CA 3.26Å; F230-A260 WeakPolarHBondContact O-CA 3.42Å; F230-A260 VanDerWaalsContact O-CB 3.3Å; F230-A260 WeakPolarHBondContact O-CB 3.41Å; I258-A260 HydrophobicContact CG2-CB 4.26Å; A260-F279 HydrophobicContact CB-CD2 4.45Å; A260-F279 HydrophobicContact CB-CE2 4.13Å
261	E	97.4	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	165.9	176.8	64.9	-171.9	162.9	0	0	109.7	F230 T233 R234 W273 F274	F230-E261 HydrophobicContact CB-CG 3.78Å; F230-E261 HydrophobicContact CG-CG 4.45Å; F230-E261 PolarHBondContact N-O 3.33Å; F230-E261 PolarHBondContact O-N 2.94Å; T233-E261 WeakPolarHBondContact CA-OE1 3.45Å; T233-E261 HydrophobicContact CG2-CB 4.25Å; T233-E261 HydrophobicContact CG2-CG 4.34Å; R234-E261 WeakPolarHBondContact CG-OE1 3.25Å; R234-E261 IonicContact CZ-OE2 2.6Å; R234-E261 PolarHBondContact N-OE1 3.17Å; R234-E261 IonicContact NE-OE1 2.69Å; R234-E261 IonicContact NE-OE2 3.19Å; R234-E261 PolarHBondContact NE-OE2 3.26Å; R234-E261 IonicContact NH2-OE2 3.02Å; R234-E261 PolarHBondContact NH2-OE2 3.31Å; E261-W273 HydrophobicContact CB-CE3 4.43Å; E261-W273 VanDerWaalsContact CD-CZ3 3.42Å; E261-W273 HydrophobicContact CG-CE3 3.71Å; E261-W273 HydrophobicContact CG-CZ3 3.72Å; E261-W273 WeakPolarHBondContact OE1-CZ3 3.25Å; E261-F274 CarbonylContact C-O 3.51Å; E261-F274 WeakPolarHBondContact CA-O 3.38Å
262	F	97.8	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.5	178.9	-57.6	-91.2	0	0	0	110.3	W157 L222 F225 H226 P229 L264 W273 F274 P276 F279 M331	W157-F262 HydrophobicContact CH2-CD1 4.48Å; W157-F262 AromaticContact CH2-CD2 3.95Å; W157-F262 HydrophobicContact CH2-CD2 3.95Å; W157-F262 HydrophobicContact CH2-CE2 4.24Å; W157-F262 HydrophobicContact CH2-CG 4.07Å; L222-F262 HydrophobicContact CB-CE1 4.38Å; L222-F262 HydrophobicContact CB-CZ 4.46Å; L222-F262 HydrophobicContact CD2-CZ 4.4Å; F225-F262 HydrophobicContact CB-CE1 4.41Å; F225-F262 HydrophobicContact CB-CZ 4.43Å; H226-F262 HydrophobicContact CB-CD1 3.65Å; H226-F262 HydrophobicContact CB-CE1 4.02Å; H226-F262 HydrophobicContact CB-CG 4.44Å; P229-F262 HydrophobicContact CB-CD1 3.97Å; P229-F262 HydrophobicContact CB-CE1 3.75Å; F262-L264 HydrophobicContact CB-CD2 3.94Å; F262-W273 WeakPolarHBondContact O-CA 3.41Å; F262-F274 HydrophobicContact CB-CB 4.39Å; F262-F274 HydrophobicContact CD2-CD1 4.1Å; F262-F274 PolarHBondContact N-O 2.92Å; F262-F274 PolarHBondContact O-N 3.48Å; F262-P276 HydrophobicContact CD2-CG 4.4Å; F262-P276 HydrophobicContact CE2-CG 4.02Å; F262-F279 HydrophobicContact CE2-CE2 4.26Å; F262-F279 AromaticContact CE2-CZ 3.79Å; F262-F279 HydrophobicContact CE2-CZ 3.79Å; F262-F279 AromaticContact CZ-CZ 3.89Å; F262-F279 HydrophobicContact CZ-CZ 3.89Å; F262-M331 HydrophobicContact CE1-CE 4.43Å; F262-M331 HydrophobicContact CE2-CE 3.54Å; F262-M331 HydrophobicContact CZ-CE 3.47Å; F262-M331 VanDerWaalsContact CZ-CE 3.47Å
263	Q	96.3	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111	170.3	179.8	40.2	-102	0	0	110	F206 H226 R228 F230 S265 F272 W273	F206-Q263 VanDerWaalsContact O-CG 3.24Å; F206-Q263 WeakPolarHBondContact O-CG 3.43Å; H226-Q263 PolarHBondContact CE1-O 3.23Å; R228-Q263 PolarHBondContact NE-O 3.16Å; R228-Q263 PolarHBondContact NH2-O 2.77Å; R228-Q263 PolarHBondContact O-N 3.14Å; F230-Q263 HydrophobicContact CD2-CB 4.42Å; F230-Q263 HydrophobicContact CE2-CB 3.72Å; Q263-S265 PolarHBondContact OE1-O 3.16Å; Q263-F272 VanDerWaalsContact CD-O 3.24Å; Q263-F272 VanDerWaalsContact NE2-N 3.16Å; Q263-F272 PolarHBondContact NE2-O 3.02Å; Q263-F272 PolarHBondContact OE1-O 3.38Å; Q263-W273 HydrophobicContact CB-CZ3 4.41Å
264	L	96	Very high	94.6	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.042	12%	0.122	C	C	.	.			trans	-88.3	-26	-171.8	-53.4	-168.3	0	0	0	113.8	L154 W157 R228 F262 F272 F274	L154-L264 HydrophobicContact CB-CD1 4.17Å; L154-L264 HydrophobicContact CD1-CD1 4.09Å; W157-L264 HydrophobicContact CD2-CD2 4.21Å; W157-L264 HydrophobicContact CE3-CD1 3.9Å; W157-L264 HydrophobicContact CE3-CD2 3.52Å; W157-L264 HydrophobicContact CE3-CG 4.39Å; W157-L264 HydrophobicContact CZ3-CD1 4.37Å; W157-L264 HydrophobicContact CZ3-CD2 3.71Å; R228-L264 PolarHBondContact NH2-O 3.41Å; F262-L264 HydrophobicContact CB-CD2 3.94Å; L264-F272 HydrophobicContact CB-CB 4.38Å; L264-F272 HydrophobicContact CB-CD1 3.99Å; L264-F272 HydrophobicContact CB-CG 4.5Å; L264-F272 HydrophobicContact CD1-CD1 3.66Å; L264-F272 HydrophobicContact CD1-CE1 3.79Å; L264-F272 HydrophobicContact CG-CD1 3.89Å; L264-F272 HydrophobicContact CG-CE1 4.47Å; L264-F272 PolarHBondContact N-O 3.04Å; L264-F274 HydrophobicContact CD1-CB 3.88Å; L264-F274 HydrophobicContact CD1-CD2 4.02Å; L264-F274 HydrophobicContact CD1-CG 4.28Å; L264-F274 HydrophobicContact CD2-CB 4.21Å; L264-F274 HydrophobicContact CG-CB 3.96Å
265	S	92.8	Very high	94.6	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	12%	0.123	C	C	.	.			trans	-91.8	160.1	178.8	-62.8	0	0	0	0	112.3	Q263 F270 F272	Q263-S265 PolarHBondContact OE1-O 3.16Å; S265-F270 WeakPolarHBondContact CB-O 3.48Å; S265-F270 PolarHBondContact OG-O 2.93Å; S265-F270 VanDerWaalsContact OG-O 3.12Å; S265-F272 VanDerWaalsContact OG-CB 3.26Å; S265-F272 WeakPolarHBondContact OG-CB 3.29Å
266	E	89.7	Confident	94.5	Very high	98 Å²	98	22 Å²	22	46%	0.458	12%	0.121	S	C	.	.			trans	-130.6	153.9	171	-64.9	-175.7	-123.5	0	0	109.4	R228 D269	R228-E266 VanDerWaalsContact CZ-CG 3.42Å; R228-E266 IonicContact CZ-OE1 3.67Å; R228-E266 VanDerWaalsContact NH1-CG 3.35Å; R228-E266 IonicContact NH1-OE1 3.27Å; R228-E266 PolarHBondContact NH1-OE1 3.45Å; R228-E266 IonicContact NH1-OE2 3.63Å; R228-E266 IonicContact NH2-OE1 4Å; E266-D269 WeakPolarHBondContact O-CB 3.43Å; E266-D269 PolarHBondContact O-N 3.45Å
267	P	86.7	Confident	94.4	Very high	71 Å²	71	22.1 Å²	22.1	46%	0.461	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	140.9	173.4	-22.8	35.1	0	0	0	110.9	F206	F206-P267 VanDerWaalsContact CD1-CD 3.47Å; F206-P267 HydrophobicContact CD1-CG 3.87Å; F206-P267 HydrophobicContact CD2-CG 4.12Å; F206-P267 HydrophobicContact CE1-CG 3.93Å; F206-P267 HydrophobicContact CE2-CG 4.19Å; F206-P267 HydrophobicContact CG-CG 3.92Å; F206-P267 HydrophobicContact CZ-CG 4.07Å
268	P	86.8	Confident	94.4	Very high	129 Å²	129	23.3 Å²	23.3	84%	0.838	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.5	2.2	12	37	-37.5	0	0	0	114.9
269	D	86.8	Confident	94.4	Very high	53 Å²	53	23.2 Å²	23.2	28%	0.283	13%	0.128	S	C	.	.	S	Bend	trans	-68.3	152.3	175.3	-69.9	-29	0	0	0	110.1	F206 E266	F206-D269 WeakPolarHBondContact CE1-O 3.44Å; F206-D269 WeakPolarHBondContact CZ-O 3.45Å; E266-D269 WeakPolarHBondContact O-CB 3.43Å; E266-D269 PolarHBondContact O-N 3.45Å
270	F	89	Confident	94.4	Very high	91 Å²	91	23.6 Å²	23.6	40%	0.399	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-74.1	153	177.7	-71.1	-68.4	0	0	0	111.5	S265 F272 L312 G314	S265-F270 WeakPolarHBondContact CB-O 3.48Å; S265-F270 PolarHBondContact OG-O 2.93Å; S265-F270 VanDerWaalsContact OG-O 3.12Å; F270-F272 PolarHBondContact O-N 3.39Å; F270-L312 HydrophobicContact CB-CB 3.87Å; F270-L312 WeakPolarHBondContact CB-O 3.37Å; F270-L312 HydrophobicContact CD1-CB 4.49Å; F270-L312 HydrophobicContact CG-CB 4.37Å; F270-G314 VanDerWaalsContact CE1-C 3.48Å; F270-G314 VanDerWaalsContact CZ-CA 3.49Å
271	P	91.5	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-53.2	134.2	179.8	-26.2	33.7	0	0	0	113.1	N203 F206 W311 L312	N203-P271 VanDerWaalsContact O-CB 3.29Å; N203-P271 WeakPolarHBondContact O-CB 3.28Å; N203-P271 WeakPolarHBondContact O-CG 3.34Å; F206-P271 HydrophobicContact CD2-CG 4.38Å; F206-P271 HydrophobicContact CE1-CG 4.07Å; F206-P271 HydrophobicContact CE2-CG 3.72Å; F206-P271 VanDerWaalsContact CZ-CD 3.44Å; F206-P271 HydrophobicContact CZ-CG 3.58Å; P271-W311 VanDerWaalsContact O-CA 3.31Å; P271-W311 WeakPolarHBondContact O-CA 3.15Å; P271-L312 HydrophobicContact CG-CD1 4.15Å; P271-L312 PolarHBondContact O-N 2.86Å
272	F	95	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.4	170.2	-171.9	-72.3	0	0	0	109.7	A150 L151 L154 Q263 L264 S265 F270 M309 W311	A150-F272 VanDerWaalsContact O-CD2 3.23Å; A150-F272 WeakPolarHBondContact O-CD2 3.11Å; L151-F272 HydrophobicContact CD2-CD2 4.4Å; L151-F272 HydrophobicContact CD2-CE2 3.59Å; L151-F272 HydrophobicContact CD2-CZ 4.37Å; L154-F272 HydrophobicContact CB-CE1 4.24Å; L154-F272 HydrophobicContact CB-CZ 4.12Å; L154-F272 HydrophobicContact CD1-CE1 4.49Å; L154-F272 HydrophobicContact CD2-CZ 3.98Å; L154-F272 HydrophobicContact CG-CZ 4.49Å; Q263-F272 VanDerWaalsContact CD-O 3.24Å; Q263-F272 VanDerWaalsContact NE2-N 3.16Å; Q263-F272 PolarHBondContact NE2-O 3.02Å; Q263-F272 PolarHBondContact OE1-O 3.38Å; L264-F272 HydrophobicContact CB-CB 4.38Å; L264-F272 HydrophobicContact CB-CD1 3.99Å; L264-F272 HydrophobicContact CB-CG 4.5Å; L264-F272 HydrophobicContact CD1-CD1 3.66Å; L264-F272 HydrophobicContact CD1-CE1 3.79Å; L264-F272 HydrophobicContact CG-CD1 3.89Å; L264-F272 HydrophobicContact CG-CE1 4.47Å; L264-F272 PolarHBondContact N-O 3.04Å; S265-F272 VanDerWaalsContact OG-CB 3.26Å; S265-F272 WeakPolarHBondContact OG-CB 3.29Å; F270-F272 PolarHBondContact O-N 3.39Å; F272-M309 HydrophobicContact CE1-CB 4.24Å; F272-M309 HydrophobicContact CE1-CG 4.04Å; F272-M309 HydrophobicContact CE1-SD 4.24Å; F272-M309 HydrophobicContact CZ-CB 3.97Å; F272-M309 HydrophobicContact CZ-CG 4.02Å; F272-M309 HydrophobicContact CZ-SD 3.88Å; F272-W311 HydrophobicContact CB-CB 4.1Å; F272-W311 HydrophobicContact CD2-CB 3.35Å; F272-W311 HydrophobicContact CD2-CD2 4.02Å; F272-W311 HydrophobicContact CD2-CE3 4.16Å; F272-W311 AromaticContact CD2-CG 3.71Å; F272-W311 HydrophobicContact CD2-CG 3.71Å; F272-W311 HydrophobicContact CE2-CB 3.92Å; F272-W311 AromaticContact CE2-CD2 3.67Å; F272-W311 HydrophobicContact CE2-CD2 3.67Å; F272-W311 AromaticContact CE2-CE3 3.47Å; F272-W311 HydrophobicContact CE2-CE3 3.47Å; F272-W311 VanDerWaalsContact CE2-CE3 3.47Å; F272-W311 AromaticContact CE2-CG 3.89Å; F272-W311 HydrophobicContact CE2-CG 3.89Å; F272-W311 HydrophobicContact CE2-CZ3 4.23Å; F272-W311 HydrophobicContact CG-CB 3.95Å; F272-W311 HydrophobicContact CZ-CE3 4Å
273	W	96.1	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.9	179.5	-64.6	96.3	0	0	0	111	N203 R205 F230 R234 E261 F262 Q263 M309 E310	N203-W273 PolarHBondContact O-NE1 3.44Å; R205-W273 HydrophobicContact CB-CH2 3.86Å; R205-W273 HydrophobicContact CB-CZ2 3.8Å; R205-W273 WeakPolarHBondContact O-CH2 3.28Å; R205-W273 WeakPolarHBondContact O-CZ2 3.33Å; F230-W273 HydrophobicContact CD1-CH2 4.2Å; F230-W273 HydrophobicContact CD1-CZ3 4.24Å; F230-W273 HydrophobicContact CD2-CH2 4.16Å; F230-W273 AromaticContact CD2-CZ3 3.68Å; F230-W273 HydrophobicContact CD2-CZ3 3.68Å; F230-W273 AromaticContact CE1-CH2 3.87Å; F230-W273 HydrophobicContact CE1-CH2 3.87Å; F230-W273 HydrophobicContact CE1-CZ3 4.3Å; F230-W273 AromaticContact CE2-CH2 3.84Å; F230-W273 HydrophobicContact CE2-CH2 3.84Å; F230-W273 AromaticContact CE2-CZ3 3.76Å; F230-W273 HydrophobicContact CE2-CZ3 3.76Å; F230-W273 HydrophobicContact CG-CH2 4.32Å; F230-W273 AromaticContact CG-CZ3 3.92Å; F230-W273 HydrophobicContact CG-CZ3 3.92Å; F230-W273 AromaticContact CZ-CH2 3.66Å; F230-W273 HydrophobicContact CZ-CH2 3.66Å; F230-W273 HydrophobicContact CZ-CZ3 4.05Å; R234-W273 HydrophobicContact CG-CH2 4.37Å; R234-W273 HydrophobicContact CG-CZ2 4.37Å; E261-W273 HydrophobicContact CB-CE3 4.43Å; E261-W273 VanDerWaalsContact CD-CZ3 3.42Å; E261-W273 HydrophobicContact CG-CE3 3.71Å; E261-W273 HydrophobicContact CG-CZ3 3.72Å; E261-W273 WeakPolarHBondContact OE1-CZ3 3.25Å; F262-W273 WeakPolarHBondContact O-CA 3.41Å; Q263-W273 HydrophobicContact CB-CZ3 4.41Å; W273-M309 VanDerWaalsContact O-CA 3.29Å; W273-M309 WeakPolarHBondContact O-CA 3.36Å; W273-E310 HydrophobicContact CB-CB 4.36Å; W273-E310 WeakPolarHBondContact CB-O 2.99Å; W273-E310 PolarHBondContact N-O 2.91Å; W273-E310 PolarHBondContact O-N 3.47Å; W273-E310 VanDerWaalsContact O-N 3.14Å
274	F	97.3	Very high	94.6	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.5	174.5	-175.7	-78.7	0	0	0	108.5	L131 L154 W157 E261 F262 L264 P276 V307 M309	L131-F274 HydrophobicContact CB-CE2 4.03Å; L131-F274 HydrophobicContact CB-CZ 4.46Å; L131-F274 HydrophobicContact CD1-CE2 3.65Å; L131-F274 HydrophobicContact CD1-CZ 4.19Å; L131-F274 HydrophobicContact CG-CE2 4.49Å; L154-F274 HydrophobicContact CD1-CD2 3.89Å; L154-F274 HydrophobicContact CD1-CE2 3.86Å; W157-F274 HydrophobicContact CE3-CE2 4.5Å; W157-F274 HydrophobicContact CH2-CD1 4.12Å; W157-F274 HydrophobicContact CH2-CE1 4.06Å; W157-F274 HydrophobicContact CZ3-CB 4.44Å; W157-F274 AromaticContact CZ3-CD1 3.61Å; W157-F274 HydrophobicContact CZ3-CD1 3.61Å; W157-F274 HydrophobicContact CZ3-CD2 4.02Å; W157-F274 AromaticContact CZ3-CE1 3.67Å; W157-F274 HydrophobicContact CZ3-CE1 3.67Å; W157-F274 HydrophobicContact CZ3-CE2 4.04Å; W157-F274 AromaticContact CZ3-CG 3.79Å; W157-F274 HydrophobicContact CZ3-CG 3.79Å; W157-F274 AromaticContact CZ3-CZ 3.88Å; W157-F274 HydrophobicContact CZ3-CZ 3.88Å; E261-F274 CarbonylContact C-O 3.51Å; E261-F274 WeakPolarHBondContact CA-O 3.38Å; F262-F274 HydrophobicContact CB-CB 4.39Å; F262-F274 HydrophobicContact CD2-CD1 4.1Å; F262-F274 PolarHBondContact N-O 2.92Å; F262-F274 PolarHBondContact O-N 3.48Å; L264-F274 HydrophobicContact CD1-CB 3.88Å; L264-F274 HydrophobicContact CD1-CD2 4.02Å; L264-F274 HydrophobicContact CD1-CG 4.28Å; L264-F274 HydrophobicContact CD2-CB 4.21Å; L264-F274 HydrophobicContact CG-CB 3.96Å; F274-P276 HydrophobicContact CD1-CG 4.12Å; F274-P276 HydrophobicContact CE1-CG 3.95Å; F274-P276 WeakPolarHBondContact O-CD 3.42Å; F274-V307 HydrophobicContact CD1-CG1 3.81Å; F274-V307 HydrophobicContact CD2-CG1 3.82Å; F274-V307 HydrophobicContact CE1-CB 4.49Å; F274-V307 HydrophobicContact CE1-CG1 3.6Å; F274-V307 HydrophobicContact CE1-CG2 3.99Å; F274-V307 HydrophobicContact CE2-CG1 3.64Å; F274-V307 HydrophobicContact CG-CG1 3.92Å; F274-V307 HydrophobicContact CZ-CB 4.24Å; F274-V307 HydrophobicContact CZ-CG1 3.53Å; F274-V307 HydrophobicContact CZ-CG2 3.79Å; F274-M309 HydrophobicContact CD2-CG 4.2Å; F274-M309 HydrophobicContact CD2-SD 4.4Å
275	S	97.5	Very high	94.7	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	93.1	-170.9	-59.7	0	0	0	0	109.9	V307 D308	S275-V307 WeakPolarHBondContact O-CA 3.24Å; S275-D308 PolarHBondContact N-O 3.49Å; S275-D308 PolarHBondContact O-N 3.49Å
276	P	97.5	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	141.8	168.8	-19.8	31.3	0	0	0	110.3	F262 F274 Q278 F279 V299 M331	F262-P276 HydrophobicContact CD2-CG 4.4Å; F262-P276 HydrophobicContact CE2-CG 4.02Å; F274-P276 HydrophobicContact CD1-CG 4.12Å; F274-P276 HydrophobicContact CE1-CG 3.95Å; F274-P276 WeakPolarHBondContact O-CD 3.42Å; P276-Q278 PolarHBondContact O-N 3.07Å; P276-F279 HydrophobicContact CB-CE2 4.24Å; P276-F279 HydrophobicContact CB-CZ 4.42Å; P276-F279 HydrophobicContact CG-CE2 3.97Å; P276-F279 HydrophobicContact CG-CZ 3.95Å; P276-V299 HydrophobicContact CB-CG1 4.09Å; P276-V299 HydrophobicContact CB-CG2 3.79Å; P276-V299 HydrophobicContact CG-CG2 4.34Å; P276-M331 HydrophobicContact CG-SD 4.36Å
277	G	96.5	Very high	95.1	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-53.8	-43.8	-179.3	0	0	0	0	0	112	N306 D424 Q425	G277-N306 PolarHBondContact N-O 3.43Å; G277-D424 WeakPolarHBondContact CA-OD1 3.41Å; G277-D424 WeakPolarHBondContact O-CB 3.28Å; G277-Q425 WeakPolarHBondContact O-CB 3.28Å; G277-Q425 PolarHBondContact O-N 2.83Å
278	Q	97.5	Very high	95.5	Very high	29 Å²	29	26.7 Å²	26.7	14%	0.136	14%	0.141	C	C	.	.			trans	-163.7	165	168.3	65.6	-174.1	63	0	0	110.1	R257 P276 T280 P300	R257-Q278 HydrophobicContact CG-CB 4.19Å; R257-Q278 VanDerWaalsContact NE-OE1 3.13Å; R257-Q278 VanDerWaalsContact NH1-OE1 3.12Å; P276-Q278 PolarHBondContact O-N 3.07Å; Q278-T280 PolarHBondContact NE2-OG1 2.97Å; Q278-P300 HydrophobicContact CG-CG 3.85Å; Q278-P300 WeakPolarHBondContact O-CD 3.5Å
279	F	98.5	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.1	152.6	-60	-97.6	0	0	0	109.8	L222 F225 R257 I258 A260 F262 P276 L297 F298 V299 M331	L222-F279 HydrophobicContact CD2-CD1 4.2Å; L222-F279 HydrophobicContact CD2-CD2 4.16Å; L222-F279 HydrophobicContact CD2-CE1 3.84Å; L222-F279 HydrophobicContact CD2-CE2 3.81Å; L222-F279 HydrophobicContact CD2-CG 4.35Å; L222-F279 HydrophobicContact CD2-CZ 3.63Å; F225-F279 HydrophobicContact CD2-CE1 4.41Å; F225-F279 AromaticContact CE2-CE1 3.99Å; F225-F279 HydrophobicContact CE2-CE1 3.99Å; R257-F279 CarbonylContact C-O 3.54Å; R257-F279 WeakPolarHBondContact CA-O 3.16Å; I258-F279 HydrophobicContact CB-CB 4.2Å; I258-F279 PolarHBondContact N-O 3.43Å; I258-F279 PolarHBondContact O-N 2.88Å; A260-F279 HydrophobicContact CB-CD2 4.45Å; A260-F279 HydrophobicContact CB-CE2 4.13Å; F262-F279 HydrophobicContact CE2-CE2 4.26Å; F262-F279 AromaticContact CE2-CZ 3.79Å; F262-F279 HydrophobicContact CE2-CZ 3.79Å; F262-F279 AromaticContact CZ-CZ 3.89Å; F262-F279 HydrophobicContact CZ-CZ 3.89Å; P276-F279 HydrophobicContact CB-CE2 4.24Å; P276-F279 HydrophobicContact CB-CZ 4.42Å; P276-F279 HydrophobicContact CG-CE2 3.97Å; P276-F279 HydrophobicContact CG-CZ 3.95Å; F279-L297 HydrophobicContact CB-CD1 3.55Å; F279-L297 HydrophobicContact CB-CG 4.19Å; F279-L297 HydrophobicContact CD1-CD1 4.39Å; F279-L297 HydrophobicContact CD1-CD2 4.36Å; F279-L297 HydrophobicContact CD1-CG 4.11Å; F279-L297 HydrophobicContact CG-CD1 4.34Å; F279-F298 CarbonylContact C-O 3.57Å; F279-F298 WeakPolarHBondContact CA-O 3.44Å; F279-V299 HydrophobicContact CD1-CG2 3.7Å; F279-V299 HydrophobicContact CE1-CG2 3.52Å; F279-V299 HydrophobicContact CG-CG2 4.34Å; F279-V299 HydrophobicContact CZ-CG2 4.02Å; F279-M331 HydrophobicContact CE1-CE 4Å; F279-M331 HydrophobicContact CE1-CG 4.23Å; F279-M331 HydrophobicContact CE1-SD 4Å; F279-M331 HydrophobicContact CZ-CE 3.86Å; F279-M331 HydrophobicContact CZ-SD 4.07Å
280	T	98.3	Very high	96.1	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.049	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.4	168.9	-58.3	0	0	0	0	108.3	M255 Q278 L297 F298 P300 W377	M255-T280 HydrophobicContact CE-CG2 3.79Å; Q278-T280 PolarHBondContact NE2-OG1 2.97Å; T280-L297 CarbonylContact O-C 3.48Å; T280-L297 WeakPolarHBondContact O-CA 3.05Å; T280-F298 HydrophobicContact CG2-CE1 3.92Å; T280-F298 HydrophobicContact CG2-CZ 3.78Å; T280-F298 PolarHBondContact N-O 3.26Å; T280-F298 VanDerWaalsContact O-CD1 3.28Å; T280-F298 WeakPolarHBondContact O-CD1 3.39Å; T280-F298 PolarHBondContact O-N 2.72Å; T280-P300 VanDerWaalsContact OG1-CG 3.27Å; T280-P300 WeakPolarHBondContact OG1-CG 3.5Å; T280-W377 HydrophobicContact CG2-CH2 4.32Å; T280-W377 HydrophobicContact CG2-CZ2 3.74Å
281	G	98.3	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	162.9	173.7	0	0	0	0	0	113.5	M255 F256 R296	M255-G281 WeakPolarHBondContact CA-O 3.38Å; F256-G281 VanDerWaalsContact CE1-C 3.47Å; F256-G281 PolarHBondContact N-O 3.37Å; F256-G281 PolarHBondContact O-N 3.33Å; G281-R296 CarbonylContact C-O 3.5Å; G281-R296 WeakPolarHBondContact CA-O 3.29Å
282	H	97.5	Very high	96.7	Very high	30 Å²	30	18.1 Å²	18.1	14%	0.139	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.9	169.2	73.1	-92.6	0	0	0	110	V254 D294 F295 R296 W377	V254-H282 CarbonylContact O-C 3.48Å; V254-H282 VanDerWaalsContact O-CA 3.26Å; V254-H282 WeakPolarHBondContact O-CA 3.4Å; H282-D294 IonicContact CD2-OD2 2.91Å; H282-D294 IonicContact CE1-OD2 3.12Å; H282-D294 IonicContact NE2-OD2 3.73Å; H282-D294 PolarHBondContact NE2-OD2 3.2Å; H282-F295 WeakPolarHBondContact O-CA 3.38Å; H282-R296 WeakPolarHBondContact CE1-CB 3.5Å; H282-R296 PolarHBondContact N-O 3.46Å; H282-R296 PolarHBondContact O-N 3.24Å; H282-W377 HydrophobicContact CB-CH2 3.88Å; H282-W377 HydrophobicContact CB-CZ3 3.8Å
283	I	98.5	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.8	175.3	-173.4	172.8	0	0	0	109.4	F172 F175 T253 V254 F256 L285 I292 D294 F295	F172-I283 HydrophobicContact CB-CD1 3.76Å; F172-I283 HydrophobicContact CD1-CD1 3.52Å; F172-I283 HydrophobicContact CE1-CD1 4.38Å; F172-I283 HydrophobicContact CG-CD1 3.84Å; F175-I283 HydrophobicContact CB-CG2 4.06Å; F175-I283 HydrophobicContact CD1-CG2 4.24Å; F175-I283 HydrophobicContact CD2-CD1 4.48Å; F175-I283 HydrophobicContact CG-CG2 4.23Å; T253-I283 WeakPolarHBondContact CA-O 3.33Å; V254-I283 HydrophobicContact CB-CG2 3.79Å; V254-I283 HydrophobicContact CG1-CG2 4.43Å; V254-I283 PolarHBondContact N-O 3.25Å; V254-I283 PolarHBondContact O-N 3.42Å; F256-I283 HydrophobicContact CD1-CG2 4.33Å; F256-I283 HydrophobicContact CE1-CB 4.26Å; F256-I283 HydrophobicContact CE1-CG2 3.99Å; I283-L285 HydrophobicContact CD1-CB 4.48Å; I283-L285 HydrophobicContact CD1-CD1 4.38Å; I283-L285 HydrophobicContact CG1-CB 4.34Å; I283-L285 HydrophobicContact CG2-CD2 4.17Å; I283-I292 HydrophobicContact CD1-CD1 4.07Å; I283-I292 HydrophobicContact CD1-CG2 4.12Å; I283-I292 HydrophobicContact CG1-CG2 3.94Å; I283-D294 WeakPolarHBondContact CA-O 3.27Å; I283-F295 HydrophobicContact CB-CD2 4.08Å; I283-F295 HydrophobicContact CD1-CD2 4.01Å; I283-F295 HydrophobicContact CG1-CB 4.5Å; I283-F295 HydrophobicContact CG1-CD2 4.11Å
284	I	98.1	Very high	96.8	Very high	30 Å²	30	23.5 Å²	23.5	15%	0.154	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114	169.4	-55.8	178.8	0	0	0	106.8	Y251 Y252 T253 I292 R293 D294 I369 W371	Y251-I284 HydrophobicContact CD1-CG2 4.1Å; Y252-I284 WeakPolarHBondContact O-CA 3.29Å; T253-I284 HydrophobicContact CG2-CG1 4.08Å; I284-I292 CarbonylContact O-C 3.58Å; I284-R293 HydrophobicContact CB-CB 3.89Å; I284-R293 HydrophobicContact CG2-CB 3.62Å; I284-R293 HydrophobicContact CG2-CG 4.13Å; I284-R293 PolarHBondContact O-N 3.13Å; I284-D294 HydrophobicContact CB-CB 4.22Å; I284-D294 HydrophobicContact CD1-CB 4.01Å; I284-D294 HydrophobicContact CG1-CB 4.16Å; I284-D294 PolarHBondContact N-O 3.47Å; I284-D294 PolarHBondContact O-N 3.38Å; I284-I369 HydrophobicContact CG2-CD1 3.87Å; I284-W371 HydrophobicContact CG2-CH2 4Å; I284-W371 HydrophobicContact CG2-CZ2 4.29Å
285	L	97.8	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.1	-175.6	72.1	177.7	0	0	0	112	F175 L176 Y251 Y252 V254 I283 A289 I292	F175-L285 HydrophobicContact CB-CD1 4.32Å; L176-L285 HydrophobicContact CD2-CD1 3.68Å; L176-L285 HydrophobicContact CD2-CG 3.93Å; L176-L285 HydrophobicContact CG-CD1 4.03Å; Y251-L285 WeakPolarHBondContact CA-O 2.92Å; Y252-L285 PolarHBondContact N-O 3.37Å; Y252-L285 PolarHBondContact O-N 2.98Å; V254-L285 HydrophobicContact CG2-CD2 3.87Å; I283-L285 HydrophobicContact CD1-CB 4.48Å; I283-L285 HydrophobicContact CD1-CD1 4.38Å; I283-L285 HydrophobicContact CG1-CB 4.34Å; I283-L285 HydrophobicContact CG2-CD2 4.17Å; L285-A289 HydrophobicContact CD1-CB 4.46Å; L285-I292 HydrophobicContact CB-CD1 3.51Å; L285-I292 HydrophobicContact CD1-CD1 4.45Å
286	S	96.7	Very high	96.9	Very high	8 Å²	8	27.2 Å²	27.2	6%	0.056	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	149.4	168.1	51.2	0	0	0	0	111.1	S250 D288 A289 T290 H291	S250-S286 CarbonylContact O-C 3.52Å; S250-S286 VanDerWaalsContact O-CA 3.31Å; S250-S286 WeakPolarHBondContact O-CA 3.14Å; S286-D288 WeakPolarHBondContact CB-OD1 3.4Å; S286-D288 PolarHBondContact O-N 2.98Å; S286-D288 VanDerWaalsContact O-N 3.11Å; S286-D288 PolarHBondContact OG-OD1 3.4Å; S286-D288 VanDerWaalsContact OG-OD1 3.11Å; S286-A289 PolarHBondContact O-N 3.47Å; S286-A289 PolarHBondContact OG-N 2.93Å; S286-T290 PolarHBondContact OG-N 2.85Å; S286-T290 VanDerWaalsContact OG-N 3.07Å; S286-H291 WeakPolarHBondContact CB-O 3.28Å; S286-H291 PolarHBondContact N-O 3.49Å; S286-H291 PolarHBondContact OG-N 3.18Å; S286-H291 PolarHBondContact OG-O 3.15Å
287	K	95.5	Very high	97	Very high	81 Å²	81	27.3 Å²	27.3	35%	0.352	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.5	-177.4	-69.6	-173.4	176.8	168.2	0	114.5	S248 D249 S250 Y252	S248-K287 WeakPolarHBondContact O-CE 3.22Å; S248-K287 PolarHBondContact O-NZ 3.47Å; D249-K287 WeakPolarHBondContact O-CD 3.41Å; D249-K287 VanDerWaalsContact O-CE 3.23Å; D249-K287 WeakPolarHBondContact O-CE 3.32Å; D249-K287 PolarHBondContact O-NZ 3.35Å; S250-K287 WeakPolarHBondContact O-CG 3.5Å; S250-K287 PolarHBondContact O-N 2.95Å; Y252-K287 HydrophobicContact CD2-CG 3.88Å; Y252-K287 HydrophobicContact CE2-CB 4.12Å; Y252-K287 HydrophobicContact CE2-CD 4.12Å; Y252-K287 HydrophobicContact CE2-CG 3.55Å
288	D	94	Very high	97.1	Very high	95 Å²	95	29.1 Å²	29.1	51%	0.508	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-0	175.7	59.6	10	0	0	0	113.5	S286 T290	S286-D288 WeakPolarHBondContact CB-OD1 3.4Å; S286-D288 PolarHBondContact O-N 2.98Å; S286-D288 VanDerWaalsContact O-N 3.11Å; S286-D288 PolarHBondContact OG-OD1 3.4Å; S286-D288 VanDerWaalsContact OG-OD1 3.11Å; D288-T290 VanDerWaalsContact C-N 3.25Å; D288-T290 HydrophobicContact CB-CG2 4.24Å; D288-T290 VanDerWaalsContact CG-CG2 3.46Å; D288-T290 VanDerWaalsContact CG-OG1 3.3Å; D288-T290 PolarHBondContact O-N 3.01Å; D288-T290 WeakPolarHBondContact OD1-CB 3.43Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.39Å; D288-T290 PolarHBondContact OD1-N 2.64Å; D288-T290 VanDerWaalsContact OD1-N 3.09Å; D288-T290 PolarHBondContact OD1-OG1 3.49Å; D288-T290 PolarHBondContact OD2-OG1 2.9Å
289	A	94.4	Very high	97.1	Very high	2 Å²	2	28 Å²	28	2%	0.017	14%	0.136	C	C	.	.	S	Bend	trans	59	28.8	-176.2	0	0	0	0	0	114.7	A169 R173 L176 L285 S286	A169-A289 CarbonylContact C-O 3.52Å; R173-A289 HydrophobicContact CB-CB 4.07Å; R173-A289 HydrophobicContact CG-CB 4.35Å; L176-A289 HydrophobicContact CD1-CB 3.73Å; L176-A289 HydrophobicContact CD2-CB 4.42Å; L176-A289 HydrophobicContact CG-CB 4.03Å; L285-A289 HydrophobicContact CD1-CB 4.46Å; S286-A289 PolarHBondContact O-N 3.47Å; S286-A289 PolarHBondContact OG-N 2.93Å
290	T	93.6	Very high	97	Very high	79 Å²	79	28.9 Å²	28.9	49%	0.485	14%	0.142	S	C	.	.	S	Bend	trans	-84	-27.2	174.8	57.7	0	0	0	0	113.1	A169 S286 D288	A169-T290 WeakPolarHBondContact CB-O 3.4Å; S286-T290 PolarHBondContact OG-N 2.85Å; S286-T290 VanDerWaalsContact OG-N 3.07Å; D288-T290 VanDerWaalsContact C-N 3.25Å; D288-T290 HydrophobicContact CB-CG2 4.24Å; D288-T290 VanDerWaalsContact CG-CG2 3.46Å; D288-T290 VanDerWaalsContact CG-OG1 3.3Å; D288-T290 PolarHBondContact O-N 3.01Å; D288-T290 WeakPolarHBondContact OD1-CB 3.43Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.39Å; D288-T290 PolarHBondContact OD1-N 2.64Å; D288-T290 VanDerWaalsContact OD1-N 3.09Å; D288-T290 PolarHBondContact OD1-OG1 3.49Å; D288-T290 PolarHBondContact OD2-OG1 2.9Å
291	H	95	Very high	96.9	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.056	16%	0.159	C	C	.	.			trans	-133.2	135.2	179.9	177.4	77.6	0	0	0	111.3	E120 Y251 S286 S339 F366	E120-H291 IonicContact OE1-ND1 3.88Å; E120-H291 PolarHBondContact OE1-ND1 3.03Å; E120-H291 WeakPolarHBondContact OE2-CA 3.49Å; E120-H291 WeakPolarHBondContact OE2-CB 3.38Å; E120-H291 IonicContact OE2-CE1 3.37Å; E120-H291 IonicContact OE2-CG 2.89Å; E120-H291 IonicContact OE2-ND1 2.71Å; E120-H291 PolarHBondContact OE2-ND1 2.99Å; Y251-H291 AromaticContact CE1-CD2 3.69Å; Y251-H291 AromaticContact CZ-CD2 3.92Å; Y251-H291 PolarHBondContact OH-CD2 3Å; Y251-H291 VanDerWaalsContact OH-CD2 3.27Å; S286-H291 WeakPolarHBondContact CB-O 3.28Å; S286-H291 PolarHBondContact N-O 3.49Å; S286-H291 PolarHBondContact OG-N 3.18Å; S286-H291 PolarHBondContact OG-O 3.15Å; H291-S339 PolarHBondContact CE1-O 3.27Å; H291-S339 PolarHBondContact ND1-O 3.01Å; H291-S339 PolarHBondContact ND1-OG 3.47Å; H291-F366 AromaticContact CE1-CE1 3.3Å; H291-F366 WeakPolarHBondContact CE1-CE1 3.5Å; H291-F366 AromaticContact CE1-CZ 3.72Å; H291-F366 AromaticContact NE2-CE1 3.8Å
292	I	97	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.1	174.2	-50.3	-54.5	0	0	0	108.2	L122 A169 F172 I283 I284 L285 F295 P338 S339	L122-I292 HydrophobicContact CD1-CB 4.21Å; L122-I292 HydrophobicContact CD1-CG2 4.2Å; L122-I292 HydrophobicContact CD2-CB 4.2Å; L122-I292 HydrophobicContact CD2-CG1 4.43Å; L122-I292 HydrophobicContact CD2-CG2 3.87Å; A169-I292 HydrophobicContact CB-CG1 4.07Å; F172-I292 HydrophobicContact CB-CD1 3.86Å; F172-I292 HydrophobicContact CB-CG1 4.46Å; F172-I292 HydrophobicContact CD2-CD1 4.44Å; F172-I292 HydrophobicContact CD2-CG1 4.13Å; F172-I292 HydrophobicContact CG-CD1 4.31Å; F172-I292 HydrophobicContact CG-CG1 4.42Å; I283-I292 HydrophobicContact CD1-CD1 4.07Å; I283-I292 HydrophobicContact CD1-CG2 4.12Å; I283-I292 HydrophobicContact CG1-CG2 3.94Å; I284-I292 CarbonylContact O-C 3.58Å; L285-I292 HydrophobicContact CB-CD1 3.51Å; L285-I292 HydrophobicContact CD1-CD1 4.45Å; I292-F295 HydrophobicContact CG2-CB 4.37Å; I292-P338 CarbonylContact O-C 3.57Å; I292-P338 WeakPolarHBondContact O-CA 3.47Å; I292-S339 PolarHBondContact N-OG 2.98Å; I292-S339 PolarHBondContact O-N 3.25Å; I292-S339 PolarHBondContact O-OG 3.35Å
293	R	96.3	Very high	96.2	Very high	61 Å²	61	39.5 Å²	39.5	23%	0.23	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-37.3	-178.5	-175.2	69.7	162.6	123.8	-5.1	112.3	Y251 I284 F366 E367 I369	Y251-R293 HydrophobicContact CD1-CB 4.49Å; Y251-R293 HydrophobicContact CE1-CB 4.09Å; I284-R293 HydrophobicContact CB-CB 3.89Å; I284-R293 HydrophobicContact CG2-CB 3.62Å; I284-R293 HydrophobicContact CG2-CG 4.13Å; I284-R293 PolarHBondContact O-N 3.13Å; R293-F366 PolarHBondContact NH2-O 3.01Å; R293-E367 PolarHBondContact NH2-O 2.91Å; R293-E367 VanDerWaalsContact NH2-O 3.1Å; R293-I369 HydrophobicContact CG-CD1 3.98Å
294	D	97.1	Very high	95.9	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	149.7	-177.7	-173.9	31.6	0	0	0	110.4	H282 I283 I284	H282-D294 IonicContact CD2-OD2 2.91Å; H282-D294 IonicContact CE1-OD2 3.12Å; H282-D294 IonicContact NE2-OD2 3.73Å; H282-D294 PolarHBondContact NE2-OD2 3.2Å; I283-D294 WeakPolarHBondContact CA-O 3.27Å; I284-D294 HydrophobicContact CB-CB 4.22Å; I284-D294 HydrophobicContact CD1-CB 4.01Å; I284-D294 HydrophobicContact CG1-CB 4.16Å; I284-D294 PolarHBondContact N-O 3.47Å; I284-D294 PolarHBondContact O-N 3.38Å
295	F	98.5	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	133.2	177.4	172.7	-90.4	0	0	0	110.9	L122 I124 F172 L221 F256 H282 I283 I292 L297 L333 A335	L122-F295 HydrophobicContact CD2-CB 4.08Å; I124-F295 HydrophobicContact CD1-CD1 3.56Å; I124-F295 HydrophobicContact CD1-CE1 3.67Å; I124-F295 HydrophobicContact CD1-CG 4.33Å; I124-F295 HydrophobicContact CG1-CD1 4.16Å; F172-F295 HydrophobicContact CD1-CD2 4.24Å; F172-F295 HydrophobicContact CD1-CE2 4.27Å; F172-F295 AromaticContact CE1-CD2 3.77Å; F172-F295 HydrophobicContact CE1-CD2 3.77Å; F172-F295 AromaticContact CE1-CE2 3.68Å; F172-F295 HydrophobicContact CE1-CE2 3.68Å; F172-F295 HydrophobicContact CE1-CG 4.34Å; F172-F295 HydrophobicContact CE1-CZ 4.21Å; L221-F295 HydrophobicContact CD1-CE2 4.26Å; L221-F295 HydrophobicContact CD1-CZ 3.76Å; L221-F295 HydrophobicContact CD2-CE1 4.01Å; L221-F295 HydrophobicContact CD2-CZ 3.91Å; L221-F295 HydrophobicContact CG-CZ 4.48Å; F256-F295 HydrophobicContact CE1-CE2 4.48Å; F256-F295 AromaticContact CZ-CE2 3.9Å; F256-F295 HydrophobicContact CZ-CE2 3.9Å; H282-F295 WeakPolarHBondContact O-CA 3.38Å; I283-F295 HydrophobicContact CB-CD2 4.08Å; I283-F295 HydrophobicContact CD1-CD2 4.01Å; I283-F295 HydrophobicContact CG1-CB 4.5Å; I283-F295 HydrophobicContact CG1-CD2 4.11Å; I292-F295 HydrophobicContact CG2-CB 4.37Å; F295-L297 HydrophobicContact CE1-CB 4.11Å; F295-L297 HydrophobicContact CZ-CB 3.91Å; F295-L333 HydrophobicContact CE1-CB 4.27Å; F295-A335 HydrophobicContact CB-CB 4.08Å; F295-A335 PolarHBondContact O-N 3.37Å
296	R	98.5	Very high	95.6	Very high	82 Å²	82	40.4 Å²	40.4	31%	0.309	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.9	169.9	-163.7	178.8	176.4	-179.6	1.3	111.3	G281 H282 F298 E332 L333	G281-R296 CarbonylContact C-O 3.5Å; G281-R296 WeakPolarHBondContact CA-O 3.29Å; H282-R296 WeakPolarHBondContact CE1-CB 3.5Å; H282-R296 PolarHBondContact N-O 3.46Å; H282-R296 PolarHBondContact O-N 3.24Å; R296-F298 HydrophobicContact CG-CD1 4.2Å; R296-E332 IonicContact CZ-OE2 3.74Å; R296-E332 IonicContact NE-OE2 3.52Å; R296-E332 IonicContact NH2-OE2 2.73Å; R296-E332 PolarHBondContact NH2-OE2 2.94Å; R296-L333 CarbonylContact C-O 3.56Å; R296-L333 WeakPolarHBondContact CA-O 3.38Å
297	L	98.7	Very high	95.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.2	172.8	179.6	64.9	0	0	0	108.8	L222 F256 I258 F279 T280 F295 E332 L333	L222-L297 HydrophobicContact CD2-CD2 4.24Å; F256-L297 HydrophobicContact CE2-CD1 3.73Å; F256-L297 HydrophobicContact CZ-CD1 4.34Å; I258-L297 HydrophobicContact CD1-CD1 4.02Å; F279-L297 HydrophobicContact CB-CD1 3.55Å; F279-L297 HydrophobicContact CB-CG 4.19Å; F279-L297 HydrophobicContact CD1-CD1 4.39Å; F279-L297 HydrophobicContact CD1-CD2 4.36Å; F279-L297 HydrophobicContact CD1-CG 4.11Å; F279-L297 HydrophobicContact CG-CD1 4.34Å; T280-L297 CarbonylContact O-C 3.48Å; T280-L297 WeakPolarHBondContact O-CA 3.05Å; F295-L297 HydrophobicContact CE1-CB 4.11Å; F295-L297 HydrophobicContact CZ-CB 3.91Å; L297-E332 CarbonylContact O-C 3.58Å; L297-E332 WeakPolarHBondContact O-CA 3.48Å; L297-L333 HydrophobicContact CB-CB 4.19Å; L297-L333 HydrophobicContact CD2-CD1 4Å; L297-L333 PolarHBondContact N-O 3.34Å; L297-L333 PolarHBondContact O-N 3.42Å
298	F	98.6	Very high	95.6	Very high	40 Å²	40	36.4 Å²	36.4	18%	0.175	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.5	-178.1	65	-82.4	0	0	0	112.7	F279 T280 R296 P300 M331 E332	F279-F298 CarbonylContact C-O 3.57Å; F279-F298 WeakPolarHBondContact CA-O 3.44Å; T280-F298 HydrophobicContact CG2-CE1 3.92Å; T280-F298 HydrophobicContact CG2-CZ 3.78Å; T280-F298 PolarHBondContact N-O 3.26Å; T280-F298 VanDerWaalsContact O-CD1 3.28Å; T280-F298 WeakPolarHBondContact O-CD1 3.39Å; T280-F298 PolarHBondContact O-N 2.72Å; R296-F298 HydrophobicContact CG-CD1 4.2Å; F298-P300 HydrophobicContact CE2-CB 4.49Å; F298-P300 HydrophobicContact CE2-CG 4.2Å; F298-P300 WeakPolarHBondContact O-CD 3.41Å; F298-M331 CarbonylContact C-O 3.43Å; F298-M331 VanDerWaalsContact CA-O 3.28Å; F298-M331 WeakPolarHBondContact CA-O 3.28Å; F298-E332 HydrophobicContact CB-CB 3.58Å
299	V	98.4	Very high	95.6	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.036	16%	0.156	C	C	.	.			trans	-82.7	121.1	165.7	179.9	0	0	0	0	108.5	P276 F279 N301 V328 M331	P276-V299 HydrophobicContact CB-CG1 4.09Å; P276-V299 HydrophobicContact CB-CG2 3.79Å; P276-V299 HydrophobicContact CG-CG2 4.34Å; F279-V299 HydrophobicContact CD1-CG2 3.7Å; F279-V299 HydrophobicContact CE1-CG2 3.52Å; F279-V299 HydrophobicContact CG-CG2 4.34Å; F279-V299 HydrophobicContact CZ-CG2 4.02Å; V299-N301 PolarHBondContact O-N 2.89Å; V299-V328 HydrophobicContact CB-CG1 4.39Å; V299-V328 HydrophobicContact CG1-CG1 3.95Å; V299-M331 HydrophobicContact CB-CB 4.17Å; V299-M331 HydrophobicContact CG2-CB 3.87Å; V299-M331 HydrophobicContact CG2-CG 3.93Å; V299-M331 HydrophobicContact CG2-SD 3.73Å; V299-M331 PolarHBondContact N-O 2.83Å
300	P	97.2	Very high	95.6	Very high	18 Å²	18	32.4 Å²	32.4	12%	0.117	16%	0.158	C	C	.	.			trans	-58.7	135.6	175.5	-24.3	35	0	0	0	112.1	Q278 T280 F298 N306	Q278-P300 HydrophobicContact CG-CG 3.85Å; Q278-P300 WeakPolarHBondContact O-CD 3.5Å; T280-P300 VanDerWaalsContact OG1-CG 3.27Å; T280-P300 WeakPolarHBondContact OG1-CG 3.5Å; F298-P300 HydrophobicContact CE2-CB 4.49Å; F298-P300 HydrophobicContact CE2-CG 4.2Å; F298-P300 WeakPolarHBondContact O-CD 3.41Å; P300-N306 PolarHBondContact O-ND2 2.86Å
301	N	95.2	Very high	95.5	Very high	79 Å²	79	28.8 Å²	28.8	42%	0.422	14%	0.136	S	C	.	.			trans	-121.8	22	-175.8	66.8	-5.9	0	0	0	113	V299 R303 Y327 P329	V299-N301 PolarHBondContact O-N 2.89Å; N301-R303 VanDerWaalsContact C-N 3.32Å; N301-Y327 HydrophobicContact CB-CE2 4.24Å; N301-Y327 PolarHBondContact O-OH 3.04Å; N301-P329 PolarHBondContact ND2-O 3.39Å
302	H	92.4	Very high	95.2	Very high	140 Å²	140	28.3 Å²	28.3	65%	0.648	13%	0.134	S	C	*	.			trans	-83.8	-5	-178	62.2	-88.3	0	0	0	113.9
303	R	89.7	Confident	94.6	Very high	43 Å²	43	33.8 Å²	33.8	16%	0.162	16%	0.155	C	C	.	.	S	Bend	trans	-105.1	162.2	-179.9	-62	-173.5	179.4	-164.1	-8	110.8	N301 L305 Y327 D423 D424	N301-R303 VanDerWaalsContact C-N 3.32Å; R303-L305 WeakPolarHBondContact CB-O 3.41Å; R303-L305 PolarHBondContact O-N 3.05Å; R303-Y327 WeakPolarHBondContact O-CE2 3.5Å; R303-D423 IonicContact CZ-OD1 3.52Å; R303-D423 VanDerWaalsContact CZ-OD1 3.29Å; R303-D423 IonicContact CZ-OD2 2.65Å; R303-D423 IonicContact NH1-OD1 2.63Å; R303-D423 PolarHBondContact NH1-OD1 3.12Å; R303-D423 IonicContact NH1-OD2 3.8Å; R303-D423 VanDerWaalsContact NH2-CG 3.35Å; R303-D423 IonicContact NH2-OD1 3.61Å; R303-D423 PolarHBondContact NH2-OD1 2.92Å; R303-D423 IonicContact NH2-OD2 2.71Å; R303-D423 PolarHBondContact NH2-OD2 2.79Å; R303-D424 IonicContact NH1-OD2 3.91Å; R303-D424 PolarHBondContact NH1-OD2 3.14Å
304	S	90.3	Very high	93.8	Very high	33 Å²	33	31.3 Å²	31.3	23%	0.231	15%	0.149	C	C	.	.	S	Bend	trans	-63.4	-29.6	176.8	59.9	0	0	0	0	113.1
305	L	94.2	Very high	92.7	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	17%	0.169	C	C	.	.			trans	-144.8	140.3	-176.9	-58.1	165.5	0	0	0	107.8	R303 I325 K460	R303-L305 WeakPolarHBondContact CB-O 3.41Å; R303-L305 PolarHBondContact O-N 3.05Å; L305-I325 HydrophobicContact CB-CD1 3.8Å; L305-I325 HydrophobicContact CB-CG1 4.01Å; L305-I325 HydrophobicContact CD1-CD1 4.33Å; L305-I325 HydrophobicContact CD1-CG2 3.57Å; L305-I325 HydrophobicContact CG-CG2 4.4Å; L305-K460 HydrophobicContact CD1-CB 4.01Å; L305-K460 HydrophobicContact CD1-CG 4.29Å
306	N	95.7	Very high	91.4	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	18%	0.183	C	C	.	.			trans	-147.3	9.3	-173.2	65.4	-7.6	0	0	0	114.5	G277 P300 G326 Y327 V328	G277-N306 PolarHBondContact N-O 3.43Å; P300-N306 PolarHBondContact O-ND2 2.86Å; N306-G326 PolarHBondContact N-O 3.41Å; N306-Y327 WeakPolarHBondContact OD1-CA 3.21Å; N306-V328 PolarHBondContact ND2-O 3.04Å; N306-V328 PolarHBondContact OD1-N 2.77Å
307	V	96.9	Very high	90	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	124.5	177	-179.4	0	0	0	0	109.9	L131 F274 S275 M309 I325 G326 V328	L131-V307 HydrophobicContact CD1-CB 3.97Å; L131-V307 HydrophobicContact CD1-CG1 4.05Å; L131-V307 HydrophobicContact CD1-CG2 4.35Å; F274-V307 HydrophobicContact CD1-CG1 3.81Å; F274-V307 HydrophobicContact CD2-CG1 3.82Å; F274-V307 HydrophobicContact CE1-CB 4.49Å; F274-V307 HydrophobicContact CE1-CG1 3.6Å; F274-V307 HydrophobicContact CE1-CG2 3.99Å; F274-V307 HydrophobicContact CE2-CG1 3.64Å; F274-V307 HydrophobicContact CG-CG1 3.92Å; F274-V307 HydrophobicContact CZ-CB 4.24Å; F274-V307 HydrophobicContact CZ-CG1 3.53Å; F274-V307 HydrophobicContact CZ-CG2 3.79Å; S275-V307 WeakPolarHBondContact O-CA 3.24Å; V307-M309 HydrophobicContact CG1-CG 4.18Å; V307-I325 CarbonylContact O-C 3.53Å; V307-I325 WeakPolarHBondContact O-CA 3.01Å; V307-I325 WeakPolarHBondContact O-CG1 3.38Å; V307-G326 PolarHBondContact N-O 3.28Å; V307-G326 VanDerWaalsContact N-O 3.08Å; V307-G326 PolarHBondContact O-N 3.35Å; V307-V328 HydrophobicContact CG2-CB 3.88Å; V307-V328 HydrophobicContact CG2-CG1 3.53Å
308	D	95.4	Very high	88.5	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.5	166.6	169.4	70.8	0	0	0	110.5	S275 R432	S275-D308 PolarHBondContact N-O 3.49Å; S275-D308 PolarHBondContact O-N 3.49Å; D308-R432 IonicContact OD2-CZ 3.47Å; D308-R432 IonicContact OD2-NH2 3.26Å; D308-R432 PolarHBondContact OD2-NH2 2.87Å
309	M	95.2	Very high	87	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.2	179.7	-68.5	171.1	-74.8	0	0	109.5	L131 M136 L154 F272 W273 F274 V307 W311 V323 D324	L131-M309 HydrophobicContact CD1-CE 3.67Å; L131-M309 HydrophobicContact CD1-SD 3.72Å; L131-M309 HydrophobicContact CD2-CE 4.11Å; L131-M309 HydrophobicContact CD2-SD 4.28Å; M136-M309 HydrophobicContact CE-CE 3.78Å; M136-M309 HydrophobicContact CE-SD 4.17Å; M136-M309 HydrophobicContact CG-CE 3.83Å; M136-M309 HydrophobicContact SD-CE 4.01Å; M136-M309 HydrophobicContact SD-SD 4.46Å; L154-M309 HydrophobicContact CD1-SD 4.18Å; L154-M309 HydrophobicContact CD2-SD 3.79Å; F272-M309 HydrophobicContact CE1-CB 4.24Å; F272-M309 HydrophobicContact CE1-CG 4.04Å; F272-M309 HydrophobicContact CE1-SD 4.24Å; F272-M309 HydrophobicContact CZ-CB 3.97Å; F272-M309 HydrophobicContact CZ-CG 4.02Å; F272-M309 HydrophobicContact CZ-SD 3.88Å; W273-M309 VanDerWaalsContact O-CA 3.29Å; W273-M309 WeakPolarHBondContact O-CA 3.36Å; F274-M309 HydrophobicContact CD2-CG 4.2Å; F274-M309 HydrophobicContact CD2-SD 4.4Å; V307-M309 HydrophobicContact CG1-CG 4.18Å; M309-W311 HydrophobicContact CB-CE3 4.35Å; M309-W311 HydrophobicContact CB-CZ3 4.23Å; M309-V323 CarbonylContact O-C 3.47Å; M309-V323 WeakPolarHBondContact O-CA 3.22Å; M309-D324 WeakPolarHBondContact CA-O 3.14Å; M309-D324 HydrophobicContact CE-CB 4.41Å; M309-D324 PolarHBondContact N-O 2.98Å; M309-D324 PolarHBondContact O-N 2.9Å; M309-D324 VanDerWaalsContact O-O 3.13Å
310	E	93.3	Very high	86.2	Confident	13 Å²	13	43 Å²	43	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.7	177.4	-58.2	179.7	-139.2	0	0	108.4	R234 F235 W273 M321 E322 V323 R432	R234-E310 IonicContact CZ-OE2 3.76Å; R234-E310 IonicContact NH1-OE1 2.88Å; R234-E310 IonicContact NH1-OE2 2.8Å; R234-E310 PolarHBondContact NH1-OE2 2.94Å; R234-E310 IonicContact NH2-OE1 3.39Å; R234-E310 PolarHBondContact NH2-OE1 3.29Å; R234-E310 IonicContact NH2-OE2 3.9Å; F235-E310 WeakPolarHBondContact CE2-OE1 3.45Å; W273-E310 HydrophobicContact CB-CB 4.36Å; W273-E310 WeakPolarHBondContact CB-O 2.99Å; W273-E310 PolarHBondContact N-O 2.91Å; W273-E310 PolarHBondContact O-N 3.47Å; W273-E310 VanDerWaalsContact O-N 3.14Å; E310-M321 HydrophobicContact CB-SD 3.95Å; E310-E322 WeakPolarHBondContact CA-O 3.27Å; E310-V323 HydrophobicContact CG-CG1 4.08Å; E310-R432 IonicContact OE1-CZ 2.88Å; E310-R432 IonicContact OE1-NH1 3.53Å; E310-R432 PolarHBondContact OE1-NH1 2.81Å; E310-R432 IonicContact OE1-NH2 3.15Å
311	W	92.3	Very high	85.6	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.9	177.8	69.4	89.2	0	0	0	112.9	M136 K138 V146 L151 P271 F272 M309 E322 D324	M136-W311 HydrophobicContact CE-CH2 4.31Å; M136-W311 HydrophobicContact CE-CZ3 4.41Å; K138-W311 HydrophobicContact CG-CH2 4.48Å; V146-W311 HydrophobicContact CG1-CZ2 4.01Å; V146-W311 HydrophobicContact CG2-CZ2 4.24Å; L151-W311 HydrophobicContact CD2-CH2 4.49Å; L151-W311 HydrophobicContact CD2-CZ2 4.25Å; P271-W311 VanDerWaalsContact O-CA 3.31Å; P271-W311 WeakPolarHBondContact O-CA 3.15Å; F272-W311 HydrophobicContact CB-CB 4.1Å; F272-W311 HydrophobicContact CD2-CB 3.35Å; F272-W311 HydrophobicContact CD2-CD2 4.02Å; F272-W311 HydrophobicContact CD2-CE3 4.16Å; F272-W311 AromaticContact CD2-CG 3.71Å; F272-W311 HydrophobicContact CD2-CG 3.71Å; F272-W311 HydrophobicContact CE2-CB 3.92Å; F272-W311 AromaticContact CE2-CD2 3.67Å; F272-W311 HydrophobicContact CE2-CD2 3.67Å; F272-W311 AromaticContact CE2-CE3 3.47Å; F272-W311 HydrophobicContact CE2-CE3 3.47Å; F272-W311 VanDerWaalsContact CE2-CE3 3.47Å; F272-W311 AromaticContact CE2-CG 3.89Å; F272-W311 HydrophobicContact CE2-CG 3.89Å; F272-W311 HydrophobicContact CE2-CZ3 4.23Å; F272-W311 HydrophobicContact CG-CB 3.95Å; F272-W311 HydrophobicContact CZ-CE3 4Å; M309-W311 HydrophobicContact CB-CE3 4.35Å; M309-W311 HydrophobicContact CB-CZ3 4.23Å; W311-E322 HydrophobicContact CD2-CB 3.84Å; W311-E322 HydrophobicContact CE3-CB 4.38Å; W311-E322 HydrophobicContact CG-CB 4.33Å; W311-E322 HydrophobicContact CH2-CB 4.07Å; W311-E322 HydrophobicContact CZ2-CB 3.47Å; W311-E322 VanDerWaalsContact CZ2-CB 3.47Å; W311-E322 HydrophobicContact CZ2-CG 4.07Å; W311-E322 HydrophobicContact CZ3-CB 4.48Å; W311-E322 PolarHBondContact N-O 2.96Å; W311-E322 PolarHBondContact O-N 3.37Å; W311-D324 HydrophobicContact CH2-CB 3.87Å; W311-D324 HydrophobicContact CZ3-CB 3.8Å
312	L	88.7	Confident	85.4	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142.8	175.2	-66.8	177.5	0	0	0	109.9	N203 N204 F270 P271 E317 N320 M321	N203-L312 HydrophobicContact CB-CD1 4.23Å; N204-L312 WeakPolarHBondContact OD1-CD1 3.44Å; F270-L312 HydrophobicContact CB-CB 3.87Å; F270-L312 WeakPolarHBondContact CB-O 3.37Å; F270-L312 HydrophobicContact CD1-CB 4.49Å; F270-L312 HydrophobicContact CG-CB 4.37Å; P271-L312 HydrophobicContact CG-CD1 4.15Å; P271-L312 PolarHBondContact O-N 2.86Å; L312-E317 HydrophobicContact CD1-CG 4.25Å; L312-E317 HydrophobicContact CD2-CB 4.47Å; L312-E317 HydrophobicContact CD2-CG 4.48Å; L312-N320 CarbonylContact C-O 3.58Å; L312-N320 VanDerWaalsContact CA-O 3.29Å; L312-N320 WeakPolarHBondContact CA-O 3.49Å; L312-M321 HydrophobicContact CD2-CB 4.14Å; L312-M321 HydrophobicContact CD2-CE 3.62Å; L312-M321 HydrophobicContact CD2-SD 3.77Å; L312-M321 HydrophobicContact CG-CE 4.16Å; L312-M321 HydrophobicContact CG-SD 4.25Å
313	Y	83.4	Confident	85.3	Confident	114 Å²	114	38.4 Å²	38.4	45%	0.447	22%	0.222	S	C	.	.	S	Bend	trans	-121.7	11.9	171.7	64.1	-90.5	0	0	0	112.8	S319 N320 E322	Y313-S319 PolarHBondContact OH-O 3.48Å; Y313-S319 VanDerWaalsContact OH-O 3.07Å; Y313-N320 VanDerWaalsContact CD1-C 3.46Å; Y313-N320 HydrophobicContact CD1-CB 4.23Å; Y313-N320 WeakPolarHBondContact CD1-O 3.48Å; Y313-N320 HydrophobicContact CD2-CB 4.08Å; Y313-N320 VanDerWaalsContact CE1-CA 3.43Å; Y313-N320 HydrophobicContact CE1-CB 4.14Å; Y313-N320 WeakPolarHBondContact CE1-O 3.48Å; Y313-N320 HydrophobicContact CE2-CB 3.98Å; Y313-N320 HydrophobicContact CG-CB 4.22Å; Y313-N320 VanDerWaalsContact CZ-CA 3.5Å; Y313-N320 PolarHBondContact N-O 2.85Å; Y313-E322 HydrophobicContact CD1-CB 4.44Å; Y313-E322 HydrophobicContact CD1-CG 3.57Å; Y313-E322 HydrophobicContact CE1-CG 3.59Å
314	G	81.2	Confident	85.5	Confident	10 Å²	10	36.3 Å²	36.3	10%	0.103	21%	0.214	C	C	.	.	S	Bend	trans	-171.3	176.7	175.4	0	0	0	0	0	111	F270 S316 N320	F270-G314 VanDerWaalsContact CE1-C 3.48Å; F270-G314 VanDerWaalsContact CZ-CA 3.49Å; G314-S316 PolarHBondContact O-N 2.83Å; G314-N320 VanDerWaalsContact C-ND2 3.31Å; G314-N320 WeakPolarHBondContact CA-ND2 3.49Å
315	A	72.7	Confident	85.6	Confident	84 Å²	84	34.8 Å²	34.8	69%	0.694	20%	0.203	S	C	*	.	S	Bend	trans	-70.6	-24.4	-170.8	0	0	0	0	0	115.4	N320	A315-N320 PolarHBondContact N-ND2 3.27Å
316	S	72.5	Confident	85.7	Confident	44 Å²	44	34.2 Å²	34.2	31%	0.308	20%	0.2	S	C	.	.			trans	-86.7	116.3	179.7	176.9	0	0	0	0	111.6	G314 T318 S319 N320	G314-S316 PolarHBondContact O-N 2.83Å; S316-T318 PolarHBondContact O-N 3.18Å; S316-T318 PolarHBondContact OG-OG1 3.1Å; S316-T318 VanDerWaalsContact OG-OG1 3.14Å; S316-S319 VanDerWaalsContact CB-OG 3.23Å; S316-S319 WeakPolarHBondContact CB-OG 3.17Å; S316-S319 PolarHBondContact OG-N 2.89Å; S316-S319 PolarHBondContact OG-OG 3.41Å; S316-S319 VanDerWaalsContact OG-OG 3.12Å; S316-N320 PolarHBondContact N-ND2 2.85Å; S316-N320 WeakPolarHBondContact O-CA 3.41Å; S316-N320 VanDerWaalsContact O-CB 3.24Å; S316-N320 WeakPolarHBondContact O-CB 3.31Å; S316-N320 PolarHBondContact O-N 3.1Å
317	E	67.6	Low	85.7	Confident	55 Å²	55	36.3 Å²	36.3	26%	0.257	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.8	175.2	-62.8	-168.9	-167.6	0	0	112.6	S202 N203 N204 L312	S202-E317 PolarHBondContact OG-OE1 3.04Å; N203-E317 HydrophobicContact CB-CG 4.23Å; N203-E317 PolarHBondContact N-OE1 2.68Å; N203-E317 PolarHBondContact ND2-OE2 3.03Å; N204-E317 PolarHBondContact ND2-OE1 3.46Å; L312-E317 HydrophobicContact CD1-CG 4.25Å; L312-E317 HydrophobicContact CD2-CB 4.47Å; L312-E317 HydrophobicContact CD2-CG 4.48Å
318	T	67.9	Low	85.8	Confident	140 Å²	140	36.4 Å²	36.4	86%	0.859	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-26.6	-173.5	55.4	0	0	0	0	113.7	S316	S316-T318 PolarHBondContact O-N 3.18Å; S316-T318 PolarHBondContact OG-OG1 3.1Å; S316-T318 VanDerWaalsContact OG-OG1 3.14Å
319	S	67.4	Low	85.9	Confident	67 Å²	67	37 Å²	37	47%	0.469	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-19.8	-176.4	67.3	0	0	0	0	113.4	Y313 S316	Y313-S319 PolarHBondContact OH-O 3.48Å; Y313-S319 VanDerWaalsContact OH-O 3.07Å; S316-S319 VanDerWaalsContact CB-OG 3.23Å; S316-S319 WeakPolarHBondContact CB-OG 3.17Å; S316-S319 PolarHBondContact OG-N 2.89Å; S316-S319 PolarHBondContact OG-OG 3.41Å; S316-S319 VanDerWaalsContact OG-OG 3.12Å
320	N	80.1	Confident	86	Confident	36 Å²	36	39.5 Å²	39.5	19%	0.193	23%	0.225	C	C	.	.	S	Bend	trans	-121	29.2	-170.2	-46.1	-32.6	0	0	0	113	L312 Y313 G314 A315 S316	L312-N320 CarbonylContact C-O 3.58Å; L312-N320 VanDerWaalsContact CA-O 3.29Å; L312-N320 WeakPolarHBondContact CA-O 3.49Å; Y313-N320 VanDerWaalsContact CD1-C 3.46Å; Y313-N320 HydrophobicContact CD1-CB 4.23Å; Y313-N320 WeakPolarHBondContact CD1-O 3.48Å; Y313-N320 HydrophobicContact CD2-CB 4.08Å; Y313-N320 VanDerWaalsContact CE1-CA 3.43Å; Y313-N320 HydrophobicContact CE1-CB 4.14Å; Y313-N320 WeakPolarHBondContact CE1-O 3.48Å; Y313-N320 HydrophobicContact CE2-CB 3.98Å; Y313-N320 HydrophobicContact CG-CB 4.22Å; Y313-N320 VanDerWaalsContact CZ-CA 3.5Å; Y313-N320 PolarHBondContact N-O 2.85Å; G314-N320 VanDerWaalsContact C-ND2 3.31Å; G314-N320 WeakPolarHBondContact CA-ND2 3.49Å; A315-N320 PolarHBondContact N-ND2 3.27Å; S316-N320 PolarHBondContact N-ND2 2.85Å; S316-N320 WeakPolarHBondContact O-CA 3.41Å; S316-N320 VanDerWaalsContact O-CB 3.24Å; S316-N320 WeakPolarHBondContact O-CB 3.31Å; S316-N320 PolarHBondContact O-N 3.1Å
321	M	86.6	Confident	86.2	Confident	43 Å²	43	39 Å²	39	21%	0.212	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	171.2	-173.4	66.7	84.7	0	0	109.9	N203 E310 L312 V323	N203-M321 HydrophobicContact CB-CE 3.68Å; N203-M321 WeakPolarHBondContact ND2-CE 3.43Å; E310-M321 HydrophobicContact CB-SD 3.95Å; L312-M321 HydrophobicContact CD2-CB 4.14Å; L312-M321 HydrophobicContact CD2-CE 3.62Å; L312-M321 HydrophobicContact CD2-SD 3.77Å; L312-M321 HydrophobicContact CG-CE 4.16Å; L312-M321 HydrophobicContact CG-SD 4.25Å; M321-V323 HydrophobicContact CG-CG1 4.31Å
322	E	89.1	Confident	86.5	Confident	44 Å²	44	39.8 Å²	39.8	21%	0.206	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.6	164.7	-75.5	-67.8	174.6	0	0	109.5	K138 E310 W311 Y313	K138-E322 WeakPolarHBondContact CE-OE2 3.43Å; K138-E322 IonicContact NZ-OE1 2.75Å; K138-E322 IonicContact NZ-OE2 3.62Å; K138-E322 PolarHBondContact NZ-OE2 2.86Å; E310-E322 WeakPolarHBondContact CA-O 3.27Å; W311-E322 HydrophobicContact CD2-CB 3.84Å; W311-E322 HydrophobicContact CE3-CB 4.38Å; W311-E322 HydrophobicContact CG-CB 4.33Å; W311-E322 HydrophobicContact CH2-CB 4.07Å; W311-E322 HydrophobicContact CZ2-CB 3.47Å; W311-E322 VanDerWaalsContact CZ2-CB 3.47Å; W311-E322 HydrophobicContact CZ2-CG 4.07Å; W311-E322 HydrophobicContact CZ3-CB 4.48Å; W311-E322 PolarHBondContact N-O 2.96Å; W311-E322 PolarHBondContact O-N 3.37Å; Y313-E322 HydrophobicContact CD1-CB 4.44Å; Y313-E322 HydrophobicContact CD1-CG 3.57Å; Y313-E322 HydrophobicContact CE1-CG 3.59Å
323	V	91.2	Very high	87	Confident	54 Å²	54	39.6 Å²	39.6	33%	0.327	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.3	175.3	-57.6	0	0	0	0	109.3	M309 E310 M321 W419	M309-V323 CarbonylContact O-C 3.47Å; M309-V323 WeakPolarHBondContact O-CA 3.22Å; E310-V323 HydrophobicContact CG-CG1 4.08Å; M321-V323 HydrophobicContact CG-CG1 4.31Å; V323-W419 HydrophobicContact CB-CH2 4.22Å; V323-W419 HydrophobicContact CB-CZ3 4.31Å; V323-W419 HydrophobicContact CG2-CH2 3.9Å; V323-W419 HydrophobicContact CG2-CZ3 3.95Å
324	D	93.1	Very high	87.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.1	166.1	-145.9	-22.9	0	0	0	110	M136 T137 K138 M309 W311 W419	M136-D324 WeakPolarHBondContact CB-OD2 3.39Å; M136-D324 HydrophobicContact CE-CB 3.88Å; T137-D324 WeakPolarHBondContact CB-OD1 3.34Å; T137-D324 PolarHBondContact N-OD1 3.48Å; T137-D324 PolarHBondContact N-OD2 3.21Å; T137-D324 VanDerWaalsContact N-OD2 3.15Å; T137-D324 PolarHBondContact OG1-OD1 3.28Å; K138-D324 VanDerWaalsContact CB-OD2 3.29Å; K138-D324 WeakPolarHBondContact CB-OD2 3.21Å; K138-D324 WeakPolarHBondContact CG-OD2 3.13Å; K138-D324 PolarHBondContact N-OD2 2.9Å; M309-D324 WeakPolarHBondContact CA-O 3.14Å; M309-D324 HydrophobicContact CE-CB 4.41Å; M309-D324 PolarHBondContact N-O 2.98Å; M309-D324 PolarHBondContact O-N 2.9Å; M309-D324 VanDerWaalsContact O-O 3.13Å; W311-D324 HydrophobicContact CH2-CB 3.87Å; W311-D324 HydrophobicContact CZ3-CB 3.8Å; D324-W419 VanDerWaalsContact C-CH2 3.46Å
325	I	93.8	Very high	88.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.6	173.6	-164	-178.4	0	0	0	107.9	L305 V307 W419	L305-I325 HydrophobicContact CB-CD1 3.8Å; L305-I325 HydrophobicContact CB-CG1 4.01Å; L305-I325 HydrophobicContact CD1-CD1 4.33Å; L305-I325 HydrophobicContact CD1-CG2 3.57Å; L305-I325 HydrophobicContact CG-CG2 4.4Å; V307-I325 CarbonylContact O-C 3.53Å; V307-I325 WeakPolarHBondContact O-CA 3.01Å; V307-I325 WeakPolarHBondContact O-CG1 3.38Å; I325-W419 HydrophobicContact CB-CH2 4.3Å; I325-W419 HydrophobicContact CB-CZ2 4.2Å; I325-W419 HydrophobicContact CG2-CD2 4.15Å; I325-W419 HydrophobicContact CG2-CH2 4.37Å; I325-W419 HydrophobicContact CG2-CZ2 3.79Å
326	G	95	Very high	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-174	-179	0	0	0	0	0	112.9	N306 V307	N306-G326 PolarHBondContact N-O 3.41Å; V307-G326 PolarHBondContact N-O 3.28Å; V307-G326 VanDerWaalsContact N-O 3.08Å; V307-G326 PolarHBondContact O-N 3.35Å
327	Y	97	Very high	90.5	Very high	49 Å²	49	36.2 Å²	36.2	19%	0.192	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-121.4	122.7	-177.3	-179.8	-102.7	0	0	0	111.3	L131 L132 T135 N301 R303 N306 P329	L131-Y327 WeakPolarHBondContact CA-O 3.33Å; L132-Y327 HydrophobicContact CD1-CD1 3.81Å; L132-Y327 HydrophobicContact CD1-CE1 4.3Å; L132-Y327 HydrophobicContact CG-CD1 4.21Å; L132-Y327 PolarHBondContact N-O 3.05Å; T135-Y327 PolarHBondContact OG1-N 2.75Å; N301-Y327 HydrophobicContact CB-CE2 4.24Å; N301-Y327 PolarHBondContact O-OH 3.04Å; R303-Y327 WeakPolarHBondContact O-CE2 3.5Å; N306-Y327 WeakPolarHBondContact OD1-CA 3.21Å; Y327-P329 HydrophobicContact CD1-CB 4.48Å; Y327-P329 HydrophobicContact CD1-CG 3.96Å; Y327-P329 HydrophobicContact CE1-CB 3.8Å; Y327-P329 HydrophobicContact CE1-CG 3.74Å
328	V	97.5	Very high	91.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	21%	0.205	C	C	.	.			trans	-98.3	117	166.3	70.3	0	0	0	0	109.2	Q129 V299 N306 V307 M331	Q129-V328 VanDerWaalsContact O-CG2 3.24Å; Q129-V328 WeakPolarHBondContact O-CG2 3.38Å; V299-V328 HydrophobicContact CB-CG1 4.39Å; V299-V328 HydrophobicContact CG1-CG1 3.95Å; N306-V328 PolarHBondContact ND2-O 3.04Å; N306-V328 PolarHBondContact OD1-N 2.77Å; V307-V328 HydrophobicContact CG2-CB 3.88Å; V307-V328 HydrophobicContact CG2-CG1 3.53Å; V328-M331 HydrophobicContact CG2-CB 4.27Å
329	P	97.7	Very high	93	Very high	18 Å²	18	28.6 Å²	28.6	12%	0.117	16%	0.164	C	C	.	.	S	Bend	trans	-70.4	-35.9	-177.2	-19.8	31.4	0	0	0	113.8	Q129 P130 L132 N301 Y327	Q129-P329 HydrophobicContact CB-CB 4.38Å; Q129-P329 HydrophobicContact CB-CG 4.46Å; P130-P329 WeakPolarHBondContact O-CD 3.44Å; L132-P329 HydrophobicContact CD1-CG 3.94Å; L132-P329 HydrophobicContact CD2-CG 3.9Å; L132-P329 HydrophobicContact CG-CG 3.66Å; N301-P329 PolarHBondContact ND2-O 3.39Å; Y327-P329 HydrophobicContact CD1-CB 4.48Å; Y327-P329 HydrophobicContact CD1-CG 3.96Å; Y327-P329 HydrophobicContact CE1-CB 3.8Å; Y327-P329 HydrophobicContact CE1-CG 3.74Å
330	Q	98	Very high	94.1	Very high	52 Å²	52	27.3 Å²	27.3	24%	0.243	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	123.3	-176.6	-171	177.4	33.3	0	0	110.6	R127 F128 Q129 E332	R127-Q330 HydrophobicContact CB-CG 4.28Å; F128-Q330 CarbonylContact C-O 3.56Å; F128-Q330 WeakPolarHBondContact CA-O 3.49Å; Q129-Q330 HydrophobicContact CB-CB 4.01Å; Q129-Q330 HydrophobicContact CG-CB 3.89Å; Q129-Q330 PolarHBondContact N-O 3.26Å; Q330-E332 HydrophobicContact CG-CG 4.11Å; Q330-E332 PolarHBondContact NE2-OE1 3.01Å
331	M	98.3	Very high	94.3	Very high	3 Å²	3	27 Å²	27	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	93.4	169.9	-178.6	174.2	-164.4	0	0	106.7	F128 W157 F225 F262 P276 F279 F298 V299 V328	F128-M331 HydrophobicContact CD2-CB 4.17Å; F128-M331 HydrophobicContact CD2-CG 4.01Å; F128-M331 HydrophobicContact CE2-CE 4.49Å; F128-M331 HydrophobicContact CE2-CG 4.34Å; F128-M331 HydrophobicContact CE2-SD 4.31Å; W157-M331 HydrophobicContact CH2-CE 3.88Å; W157-M331 HydrophobicContact CZ2-CE 4Å; F225-M331 HydrophobicContact CB-CE 3.54Å; F225-M331 HydrophobicContact CD1-CE 3.94Å; F225-M331 HydrophobicContact CD1-CG 3.96Å; F225-M331 HydrophobicContact CD2-CE 3.45Å; F225-M331 VanDerWaalsContact CD2-CE 3.45Å; F225-M331 HydrophobicContact CD2-CG 4.31Å; F225-M331 HydrophobicContact CE1-CE 4.47Å; F225-M331 HydrophobicContact CE1-CG 3.67Å; F225-M331 HydrophobicContact CE2-CE 4.03Å; F225-M331 HydrophobicContact CE2-CG 4.02Å; F225-M331 HydrophobicContact CG-CE 3.38Å; F225-M331 HydrophobicContact CG-CG 4.26Å; F225-M331 HydrophobicContact CZ-CE 4.49Å; F225-M331 HydrophobicContact CZ-CG 3.68Å; F262-M331 HydrophobicContact CE1-CE 4.43Å; F262-M331 HydrophobicContact CE2-CE 3.54Å; F262-M331 HydrophobicContact CZ-CE 3.47Å; F262-M331 VanDerWaalsContact CZ-CE 3.47Å; P276-M331 HydrophobicContact CG-SD 4.36Å; F279-M331 HydrophobicContact CE1-CE 4Å; F279-M331 HydrophobicContact CE1-CG 4.23Å; F279-M331 HydrophobicContact CE1-SD 4Å; F279-M331 HydrophobicContact CZ-CE 3.86Å; F279-M331 HydrophobicContact CZ-SD 4.07Å; F298-M331 CarbonylContact C-O 3.43Å; F298-M331 VanDerWaalsContact CA-O 3.28Å; F298-M331 WeakPolarHBondContact CA-O 3.28Å; V299-M331 HydrophobicContact CB-CB 4.17Å; V299-M331 HydrophobicContact CG2-CB 3.87Å; V299-M331 HydrophobicContact CG2-CG 3.93Å; V299-M331 HydrophobicContact CG2-SD 3.73Å; V299-M331 PolarHBondContact N-O 2.83Å; V328-M331 HydrophobicContact CG2-CB 4.27Å
332	E	98.4	Very high	93.6	Very high	18 Å²	18	26 Å²	26	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.8	-174.8	66.1	-177.1	177.2	0	0	113.1	A126 R127 R296 L297 F298 Q330	A126-E332 WeakPolarHBondContact CA-O 3.23Å; R127-E332 HydrophobicContact CB-CG 3.79Å; R127-E332 WeakPolarHBondContact CD-OE1 3.36Å; R127-E332 HydrophobicContact CG-CG 4.5Å; R127-E332 PolarHBondContact N-O 2.77Å; R127-E332 IonicContact NH1-OE1 3.62Å; R127-E332 PolarHBondContact NH1-OE1 2.73Å; R127-E332 PolarHBondContact O-N 3.26Å; R296-E332 IonicContact CZ-OE2 3.74Å; R296-E332 IonicContact NE-OE2 3.52Å; R296-E332 IonicContact NH2-OE2 2.73Å; R296-E332 PolarHBondContact NH2-OE2 2.94Å; L297-E332 CarbonylContact O-C 3.58Å; L297-E332 WeakPolarHBondContact O-CA 3.48Å; F298-E332 HydrophobicContact CB-CB 3.58Å; Q330-E332 HydrophobicContact CG-CG 4.11Å; Q330-E332 PolarHBondContact NE2-OE1 3.01Å
333	L	98.7	Very high	92.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	167	-53.7	-178.9	0	0	0	107.8	I124 E125 A126 L221 M224 F225 F295 R296 L297	I124-L333 HydrophobicContact CG2-CB 3.7Å; I124-L333 HydrophobicContact CG2-CG 4.48Å; E125-L333 VanDerWaalsContact O-CA 3.28Å; E125-L333 WeakPolarHBondContact O-CA 3.44Å; A126-L333 HydrophobicContact CB-CD2 3.5Å; L221-L333 HydrophobicContact CB-CD1 3.91Å; L221-L333 HydrophobicContact CD2-CD1 3.99Å; L221-L333 WeakPolarHBondContact O-CD1 3.33Å; M224-L333 HydrophobicContact CB-CD2 4.09Å; M224-L333 HydrophobicContact CE-CD2 4.19Å; M224-L333 HydrophobicContact SD-CD1 4.09Å; M224-L333 HydrophobicContact SD-CD2 4.05Å; F225-L333 HydrophobicContact CD1-CD2 4.41Å; F225-L333 HydrophobicContact CD2-CD2 4.4Å; F225-L333 HydrophobicContact CE1-CD2 3.75Å; F225-L333 HydrophobicContact CE1-CG 4.36Å; F225-L333 HydrophobicContact CE2-CD1 4.07Å; F225-L333 HydrophobicContact CE2-CD2 3.75Å; F225-L333 HydrophobicContact CE2-CG 3.63Å; F225-L333 HydrophobicContact CZ-CD1 4.43Å; F225-L333 HydrophobicContact CZ-CD2 3.39Å; F225-L333 HydrophobicContact CZ-CG 3.51Å; F295-L333 HydrophobicContact CE1-CB 4.27Å; R296-L333 CarbonylContact C-O 3.56Å; R296-L333 WeakPolarHBondContact CA-O 3.38Å; L297-L333 HydrophobicContact CB-CB 4.19Å; L297-L333 HydrophobicContact CD2-CD1 4Å; L297-L333 PolarHBondContact N-O 3.34Å; L297-L333 PolarHBondContact O-N 3.42Å
334	E	98.3	Very high	91.7	Very high	54 Å²	54	25.3 Å²	25.3	25%	0.252	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.3	-179.4	-172.7	170.6	-143.3	0	0	109.3	I124 E125 R127	I124-E334 WeakPolarHBondContact CA-O 3.46Å; E125-E334 PolarHBondContact N-O 3.3Å; E125-E334 PolarHBondContact O-N 2.75Å; R127-E334 IonicContact CZ-OE2 3.43Å; R127-E334 IonicContact NH1-OE2 3.39Å; R127-E334 PolarHBondContact NH1-OE2 2.84Å; R127-E334 IonicContact NH2-OE2 3.17Å; R127-E334 PolarHBondContact NH2-OE2 3.38Å
335	A	97.6	Very high	90.4	Very high	10 Å²	10	30.9 Å²	30.9	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.6	171.2	0	0	0	0	0	110.3	L122 T123 F295 G337	L122-A335 HydrophobicContact CD1-CB 3.88Å; L122-A335 HydrophobicContact CG-CB 4.41Å; T123-A335 WeakPolarHBondContact O-CA 3.21Å; F295-A335 HydrophobicContact CB-CB 4.08Å; F295-A335 PolarHBondContact O-N 3.37Å; A335-G337 PolarHBondContact O-N 2.81Å
336	V	94.6	Very high	89.2	Confident	89 Å²	89	33.1 Å²	33.1	54%	0.539	19%	0.188	S	C	.	.	S	Bend	trans	-68.3	-24.8	176.6	-178.3	0	0	0	0	111.3	T123 E125	T123-V336 HydrophobicContact CG2-CG2 3.99Å; T123-V336 PolarHBondContact O-N 2.73Å; E125-V336 HydrophobicContact CB-CG2 4.36Å; E125-V336 HydrophobicContact CG-CG2 3.52Å
337	G	92	Very high	88	Confident	27 Å²	27	43 Å²	43	28%	0.278	23%	0.234	S	C	.	.	S	Bend	trans	-179	-172.9	175.9	0	0	0	0	0	110.4	L122 A335	L122-G337 WeakPolarHBondContact CD1-O 3.42Å; A335-G337 PolarHBondContact O-N 2.81Å
338	P	94.6	Very high	86.8	Confident	35 Å²	35	47.4 Å²	47.4	23%	0.227	26%	0.262	C	S	.	.	S	Bend	trans	-58.8	156.2	173.9	-22.2	34.5	0	0	0	111.7	I292 F366	I292-P338 CarbonylContact O-C 3.57Å; I292-P338 WeakPolarHBondContact O-CA 3.47Å; P338-F366 HydrophobicContact CB-CD2 4.15Å; P338-F366 HydrophobicContact CB-CE1 4.34Å; P338-F366 HydrophobicContact CB-CE2 3.52Å; P338-F366 HydrophobicContact CB-CZ 3.64Å; P338-F366 HydrophobicContact CG-CD2 3.74Å; P338-F366 HydrophobicContact CG-CE2 3.5Å; P338-F366 VanDerWaalsContact CG-CE2 3.5Å; P338-F366 HydrophobicContact CG-CZ 4.15Å
339	S	94.1	Very high	85.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.285	C	S	.	.			trans	-63.9	144	170.3	59.9	0	0	0	0	110.5	E120 T121 H291 I292	E120-S339 WeakPolarHBondContact OE2-CB 3.44Å; E120-S339 VanDerWaalsContact OE2-O 3.09Å; E120-S339 PolarHBondContact OE2-OG 2.86Å; T121-S339 VanDerWaalsContact O-CA 3.29Å; T121-S339 WeakPolarHBondContact O-CA 3.5Å; H291-S339 PolarHBondContact CE1-O 3.27Å; H291-S339 PolarHBondContact ND1-O 3.01Å; H291-S339 PolarHBondContact ND1-OG 3.47Å; I292-S339 PolarHBondContact N-OG 2.98Å; I292-S339 PolarHBondContact O-N 3.25Å; I292-S339 PolarHBondContact O-OG 3.35Å
340	V	90.1	Very high	83.9	Confident	40 Å²	40	53.2 Å²	53.2	24%	0.242	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.2	-176.6	-65.2	0	0	0	0	110.1	E120 T121 S342 F364	E120-V340 CarbonylContact C-O 3.56Å; E120-V340 VanDerWaalsContact CA-O 3.23Å; E120-V340 WeakPolarHBondContact CA-O 3.33Å; T121-V340 PolarHBondContact N-O 2.97Å; T121-V340 PolarHBondContact O-N 2.84Å; V340-S342 PolarHBondContact O-N 3.18Å; V340-F364 HydrophobicContact CB-CD2 4.07Å; V340-F364 HydrophobicContact CB-CE2 3.63Å; V340-F364 HydrophobicContact CB-CZ 4.1Å; V340-F364 HydrophobicContact CG1-CD2 3.34Å; V340-F364 HydrophobicContact CG1-CE2 3.45Å; V340-F364 VanDerWaalsContact CG1-CE2 3.45Å; V340-F364 HydrophobicContact CG1-CG 4.06Å; V340-F364 HydrophobicContact CG1-CZ 4.24Å; V340-F364 HydrophobicContact CG2-CE2 4.42Å
341	P	85.2	Confident	82.4	Confident	29 Å²	29	56.7 Å²	56.7	19%	0.188	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	135.3	178	26.4	-34.8	0	0	0	109.8	E120 V343 I344 S354 F364	E120-P341 HydrophobicContact CG-CB 4.43Å; P341-V343 PolarHBondContact O-N 3.4Å; P341-I344 HydrophobicContact CG-CG1 4.22Å; P341-S354 WeakPolarHBondContact O-CB 3.41Å; P341-S354 PolarHBondContact O-OG 2.77Å; P341-S354 VanDerWaalsContact O-OG 3.1Å; P341-F364 HydrophobicContact CG-CE1 4.33Å; P341-F364 HydrophobicContact CG-CZ 4.22Å
342	S	71.4	Confident	80.8	Confident	23 Å²	23	60.4 Å²	60.4	16%	0.161	34%	0.339	C	S	.	.	S	Bend	trans	-65.4	-33.8	179.9	-53.2	0	0	0	0	111.2	E119 T121 V340 S354	E119-S342 PolarHBondContact O-N 3.38Å; E119-S342 PolarHBondContact O-OG 2.83Å; T121-S342 PolarHBondContact OG1-OG 3.32Å; V340-S342 PolarHBondContact O-N 3.18Å; S342-S354 PolarHBondContact O-N 3.05Å; S342-S354 VanDerWaalsContact O-N 3.1Å; S342-S354 PolarHBondContact O-OG 3.23Å
343	V	70.5	Confident	79.2	Confident	36 Å²	36	63 Å²	63	22%	0.218	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.6	176.6	-176.5	0	0	0	0	110	P117 P341 M351 I352	P117-V343 HydrophobicContact CB-CG2 4.28Å; P341-V343 PolarHBondContact O-N 3.4Å; V343-M351 HydrophobicContact CB-CE 4.22Å; V343-M351 HydrophobicContact CG1-CB 3.54Å; V343-M351 HydrophobicContact CG1-CE 3.68Å; V343-M351 HydrophobicContact CG1-CG 3.81Å; V343-M351 HydrophobicContact CG2-CE 3.9Å; V343-I352 CarbonylContact C-O 3.6Å; V343-I352 WeakPolarHBondContact CA-O 3.48Å
344	I	70	Confident	77.6	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.246	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136	171.9	-54.9	171.4	0	0	0	107.8	P341 I352 L362 F364	P341-I344 HydrophobicContact CG-CG1 4.22Å; I344-I352 PolarHBondContact N-O 2.77Å; I344-I352 PolarHBondContact O-N 2.86Å; I344-L362 HydrophobicContact CD1-CD1 3.31Å; I344-F364 HydrophobicContact CD1-CE1 4.17Å; I344-F364 HydrophobicContact CD1-CZ 3.72Å; I344-F364 HydrophobicContact CG1-CZ 4.39Å
345	L	66.5	Low	75.9	Confident	117 Å²	117	69.2 Å²	69.2	61%	0.613	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.5	171.2	-65.2	170	0	0	0	109.1	N350 M351	L345-N350 WeakPolarHBondContact CA-O 3.43Å; L345-M351 HydrophobicContact CD2-CG 3.78Å
346	D	67	Low	73.9	Confident	47 Å²	47	71.9 Å²	71.9	25%	0.251	39%	0.39	S	S	.	.			trans	-73.4	174.6	169.8	73.5	12.1	0	0	0	112	D348 G349 N350 I352	D346-D348 PolarHBondContact O-N 2.71Å; D346-D348 VanDerWaalsContact OD1-C 3.28Å; D346-D348 WeakPolarHBondContact OD1-CA 3.26Å; D346-D348 WeakPolarHBondContact OD1-CB 3.46Å; D346-D348 PolarHBondContact OD1-N 2.94Å; D346-G349 PolarHBondContact O-N 2.88Å; D346-G349 PolarHBondContact OD1-N 3Å; D346-N350 PolarHBondContact N-O 2.71Å; D346-N350 PolarHBondContact OD1-N 2.63Å; D346-N350 PolarHBondContact OD1-ND2 3.25Å; D346-N350 VanDerWaalsContact OD2-CB 3.3Å; D346-N350 WeakPolarHBondContact OD2-CB 3.27Å; D346-N350 PolarHBondContact OD2-ND2 2.86Å; D346-I352 HydrophobicContact CB-CD1 3.72Å; D346-I352 HydrophobicContact CB-CG1 4.33Å
347	E	71	Confident	71.9	Confident	206 Å²	206	74.5 Å²	74.5	96%	0.963	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	179.2	-63.9	-173.8	159.3	0	0	113.2
348	D	71.9	Confident	70.1	Confident	143 Å²	143	77.1 Å²	77.1	77%	0.765	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.5	178	-66.9	-45.2	0	0	0	112.6	D346	D346-D348 PolarHBondContact O-N 2.71Å; D346-D348 VanDerWaalsContact OD1-C 3.28Å; D346-D348 WeakPolarHBondContact OD1-CA 3.26Å; D346-D348 WeakPolarHBondContact OD1-CB 3.46Å; D346-D348 PolarHBondContact OD1-N 2.94Å
349	G	67.1	Low	68.3	Low	48 Å²	48	78.4 Å²	78.4	50%	0.495	44%	0.442	S	S	.	.			trans	81.5	12.6	-178.1	0	0	0	0	0	115	D346	D346-G349 PolarHBondContact O-N 2.88Å; D346-G349 PolarHBondContact OD1-N 3Å
350	N	67	Low	66.4	Low	92 Å²	92	84.6 Å²	84.6	49%	0.492	47%	0.471	S	S	.	.			trans	-77.2	141.1	173	-48	-63.3	0	0	0	110.8	L345 D346 I352	L345-N350 WeakPolarHBondContact CA-O 3.43Å; D346-N350 PolarHBondContact N-O 2.71Å; D346-N350 PolarHBondContact OD1-N 2.63Å; D346-N350 PolarHBondContact OD1-ND2 3.25Å; D346-N350 VanDerWaalsContact OD2-CB 3.3Å; D346-N350 WeakPolarHBondContact OD2-CB 3.27Å; D346-N350 PolarHBondContact OD2-ND2 2.86Å; N350-I352 PolarHBondContact O-N 2.74Å
351	M	66.4	Low	65	Low	126 Å²	126	87.7 Å²	87.7	62%	0.621	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.9	177.2	-69.3	176.5	71.3	0	0	110.4	P117 V343 L345	P117-M351 HydrophobicContact CB-CE 4.08Å; V343-M351 HydrophobicContact CB-CE 4.22Å; V343-M351 HydrophobicContact CG1-CB 3.54Å; V343-M351 HydrophobicContact CG1-CE 3.68Å; V343-M351 HydrophobicContact CG1-CG 3.81Å; V343-M351 HydrophobicContact CG2-CE 3.9Å; L345-M351 HydrophobicContact CD2-CG 3.78Å
352	I	63.8	Low	64	Low	80 Å²	80	89.1 Å²	89.1	41%	0.41	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.8	172.1	-57.9	-177.2	0	0	0	108	V343 I344 D346 N350 S354	V343-I352 CarbonylContact C-O 3.6Å; V343-I352 WeakPolarHBondContact CA-O 3.48Å; I344-I352 PolarHBondContact N-O 2.77Å; I344-I352 PolarHBondContact O-N 2.86Å; D346-I352 HydrophobicContact CB-CD1 3.72Å; D346-I352 HydrophobicContact CB-CG1 4.33Å; N350-I352 PolarHBondContact O-N 2.74Å; I352-S354 PolarHBondContact O-N 3.32Å
353	D	66.5	Low	63.8	Low	73 Å²	73	96.8 Å²	96.8	39%	0.39	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.5	169.4	-169.2	-31	0	0	0	108.2	R355	D353-R355 PolarHBondContact O-N 3.16Å; D353-R355 PolarHBondContact OD1-N 2.93Å; D353-R355 IonicContact OD1-NE 3.72Å; D353-R355 PolarHBondContact OD1-NE 3.31Å; D353-R355 IonicContact OD2-CZ 3.96Å; D353-R355 IonicContact OD2-NE 2.78Å; D353-R355 IonicContact OD2-NH2 3.37Å; D353-R355 PolarHBondContact OD2-NH2 3.37Å
354	S	64.4	Low	63.9	Low	13 Å²	13	98.5 Å²	98.5	9%	0.091	54%	0.536	C	S	.	.	S	Bend	trans	-60.5	-15.9	178.5	57.1	0	0	0	0	113.6	P341 S342 I352 L362	P341-S354 WeakPolarHBondContact O-CB 3.41Å; P341-S354 PolarHBondContact O-OG 2.77Å; P341-S354 VanDerWaalsContact O-OG 3.1Å; S342-S354 PolarHBondContact O-N 3.05Å; S342-S354 VanDerWaalsContact O-N 3.1Å; S342-S354 PolarHBondContact O-OG 3.23Å; I352-S354 PolarHBondContact O-N 3.32Å; S354-L362 WeakPolarHBondContact O-CG 3.23Å; S354-L362 PolarHBondContact O-N 2.87Å
355	R	61.6	Low	64.1	Low	171 Å²	171	102.9 Å²	102.9	65%	0.645	57%	0.565	S	S	*	*	B	Isolated β-bridge	trans	-87.9	119.7	170.8	-67.1	174.2	-71.9	-173.9	-1.8	110.3	D353	D353-R355 PolarHBondContact O-N 3.16Å; D353-R355 PolarHBondContact OD1-N 2.93Å; D353-R355 IonicContact OD1-NE 3.72Å; D353-R355 PolarHBondContact OD1-NE 3.31Å; D353-R355 IonicContact OD2-CZ 3.96Å; D353-R355 IonicContact OD2-NE 2.78Å; D353-R355 IonicContact OD2-NH2 3.37Å; D353-R355 PolarHBondContact OD2-NH2 3.37Å
356	L	55.9	Low	64.9	Low	67 Å²	67	100.2 Å²	100.2	35%	0.351	55%	0.548	S	S	.	.			trans	-62	152.7	174.6	-65.8	168.6	0	0	0	110.3	S358 G359 E360 L362	L356-S358 WeakPolarHBondContact CB-OG 3.16Å; L356-S358 PolarHBondContact O-N 2.78Å; L356-G359 PolarHBondContact O-N 3.41Å; L356-E360 VanDerWaalsContact CB-O 3.26Å; L356-E360 WeakPolarHBondContact CB-O 3.49Å; L356-E360 HydrophobicContact CD1-CB 4.33Å; L356-E360 WeakPolarHBondContact CG-O 3.36Å; L356-E360 PolarHBondContact N-O 3.23Å; L356-E360 VanDerWaalsContact N-O 3.14Å; L356-L362 HydrophobicContact CD1-CD2 4.35Å; L356-L362 HydrophobicContact CD2-CD2 3.83Å; L356-L362 HydrophobicContact CD2-CG 4.15Å; L356-L362 HydrophobicContact CG-CD2 4.15Å; L356-L362 HydrophobicContact CG-CG 4.14Å
357	P	52.7	Low	65.6	Low	144 Å²	144	106.5 Å²	106.5	94%	0.935	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-20.9	173.7	-24.1	32.8	0	0	0	114.1	G359	P357-G359 PolarHBondContact O-N 3.39Å
358	S	53.7	Low	66.5	Low	82 Å²	82	105.4 Å²	105.4	57%	0.573	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-11.2	173.5	55.6	0	0	0	0	113.8	L356 E360	L356-S358 WeakPolarHBondContact CB-OG 3.16Å; L356-S358 PolarHBondContact O-N 2.78Å; S358-E360 VanDerWaalsContact C-N 3.26Å; S358-E360 PolarHBondContact OG-N 3.34Å
359	G	58.6	Low	67.5	Low	62 Å²	62	100.4 Å²	100.4	64%	0.639	54%	0.544	S	S	*	.	S	Bend	trans	82.3	-3	-170.5	0	0	0	0	0	114	L356 P357	L356-G359 PolarHBondContact O-N 3.41Å; P357-G359 PolarHBondContact O-N 3.39Å
360	E	54.1	Low	68.8	Low	129 Å²	129	106.7 Å²	106.7	60%	0.603	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-80.6	132.9	176.4	-67.1	-177.8	159.6	0	0	110.6	L356 S358	L356-E360 VanDerWaalsContact CB-O 3.26Å; L356-E360 WeakPolarHBondContact CB-O 3.49Å; L356-E360 HydrophobicContact CD1-CB 4.33Å; L356-E360 WeakPolarHBondContact CG-O 3.36Å; L356-E360 PolarHBondContact N-O 3.23Å; L356-E360 VanDerWaalsContact N-O 3.14Å; S358-E360 VanDerWaalsContact C-N 3.26Å; S358-E360 PolarHBondContact OG-N 3.34Å
361	P	60.4	Low	70.2	Confident	106 Å²	106	105.3 Å²	105.3	69%	0.688	55%	0.545	S	S	*	.	B	Isolated β-bridge	trans	-68.8	139.9	175.4	27.2	-31.8	0	0	0	110.5	Q363	P361-Q363 PolarHBondContact O-N 2.82Å
362	L	64.1	Low	71.6	Confident	59 Å²	59	104.5 Å²	104.5	31%	0.309	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-57.1	131.2	169.5	-79.8	165.6	0	0	0	110.1	I344 S354 L356 F364	I344-L362 HydrophobicContact CD1-CD1 3.31Å; S354-L362 WeakPolarHBondContact O-CG 3.23Å; S354-L362 PolarHBondContact O-N 2.87Å; L356-L362 HydrophobicContact CD1-CD2 4.35Å; L356-L362 HydrophobicContact CD2-CD2 3.83Å; L356-L362 HydrophobicContact CD2-CG 4.15Å; L356-L362 HydrophobicContact CG-CD2 4.15Å; L356-L362 HydrophobicContact CG-CG 4.14Å; L362-F364 HydrophobicContact CB-CE2 4.09Å; L362-F364 WeakPolarHBondContact O-CD2 3.4Å; L362-F364 PolarHBondContact O-N 3.04Å
363	Q	67.7	Low	73.1	Confident	183 Å²	183	105.7 Å²	105.7	86%	0.855	54%	0.544	S	S	*	.			trans	-80.8	107.6	179.1	-171	174.9	13.2	0	0	110.1	P361	P361-Q363 PolarHBondContact O-N 2.82Å
364	F	72.8	Confident	74.6	Confident	73 Å²	73	108.8 Å²	108.8	32%	0.32	56%	0.556	S	S	.	*			trans	-85.2	130.4	172.7	-65.3	-92.6	0	0	0	110.4	V340 P341 I344 L362 F366	V340-F364 HydrophobicContact CB-CD2 4.07Å; V340-F364 HydrophobicContact CB-CE2 3.63Å; V340-F364 HydrophobicContact CB-CZ 4.1Å; V340-F364 HydrophobicContact CG1-CD2 3.34Å; V340-F364 HydrophobicContact CG1-CE2 3.45Å; V340-F364 VanDerWaalsContact CG1-CE2 3.45Å; V340-F364 HydrophobicContact CG1-CG 4.06Å; V340-F364 HydrophobicContact CG1-CZ 4.24Å; V340-F364 HydrophobicContact CG2-CE2 4.42Å; P341-F364 HydrophobicContact CG-CE1 4.33Å; P341-F364 HydrophobicContact CG-CZ 4.22Å; I344-F364 HydrophobicContact CD1-CE1 4.17Å; I344-F364 HydrophobicContact CD1-CZ 3.72Å; I344-F364 HydrophobicContact CG1-CZ 4.39Å; L362-F364 HydrophobicContact CB-CE2 4.09Å; L362-F364 WeakPolarHBondContact O-CD2 3.4Å; L362-F364 PolarHBondContact O-N 3.04Å; F364-F366 HydrophobicContact CB-CD2 4.09Å; F364-F366 HydrophobicContact CB-CE2 3.41Å; F364-F366 VanDerWaalsContact CB-CE2 3.41Å; F364-F366 HydrophobicContact CB-CZ 3.71Å; F364-F366 HydrophobicContact CG-CE2 4.42Å; F364-F366 HydrophobicContact CG-CZ 4.33Å
365	V	74.1	Confident	76.1	Confident	140 Å²	140	109.9 Å²	109.9	85%	0.848	56%	0.56	S	S	*	*			trans	-101	117.9	171.3	-178.2	0	0	0	0	107.8
366	F	81.5	Confident	77.8	Confident	61 Å²	61	104.7 Å²	104.7	27%	0.268	55%	0.55	S	S	.	*			trans	-109.4	137.5	179.9	-64.2	-87.3	0	0	0	109.5	H291 R293 P338 F364	H291-F366 AromaticContact CE1-CE1 3.3Å; H291-F366 WeakPolarHBondContact CE1-CE1 3.5Å; H291-F366 AromaticContact CE1-CZ 3.72Å; H291-F366 AromaticContact NE2-CE1 3.8Å; R293-F366 PolarHBondContact NH2-O 3.01Å; P338-F366 HydrophobicContact CB-CD2 4.15Å; P338-F366 HydrophobicContact CB-CE1 4.34Å; P338-F366 HydrophobicContact CB-CE2 3.52Å; P338-F366 HydrophobicContact CB-CZ 3.64Å; P338-F366 HydrophobicContact CG-CD2 3.74Å; P338-F366 HydrophobicContact CG-CE2 3.5Å; P338-F366 VanDerWaalsContact CG-CE2 3.5Å; P338-F366 HydrophobicContact CG-CZ 4.15Å; F364-F366 HydrophobicContact CB-CD2 4.09Å; F364-F366 HydrophobicContact CB-CE2 3.41Å; F364-F366 VanDerWaalsContact CB-CE2 3.41Å; F364-F366 HydrophobicContact CB-CZ 3.71Å; F364-F366 HydrophobicContact CG-CE2 4.42Å; F364-F366 HydrophobicContact CG-CZ 4.33Å
367	E	82.9	Confident	79.7	Confident	178 Å²	178	106.3 Å²	106.3	83%	0.832	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-62.5	157.3	177.1	-61.9	-174.8	169.7	0	0	112.3	R293	R293-E367 PolarHBondContact NH2-O 2.91Å; R293-E367 VanDerWaalsContact NH2-O 3.1Å
368	E	89.1	Confident	81.7	Confident	184 Å²	184	105.8 Å²	105.8	86%	0.86	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-69.7	133.9	171.6	-70.1	-177.1	173.6	0	0	110.2	K370	E368-K370 PolarHBondContact O-N 2.8Å
369	I	92.7	Very high	83.8	Confident	37 Å²	37	104.2 Å²	104.2	19%	0.19	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-78	124.9	178.7	-58	171.7	0	0	0	108.8	Y251 I284 R293 W371	Y251-I369 HydrophobicContact CD1-CD1 4.02Å; Y251-I369 HydrophobicContact CD2-CD1 3.9Å; Y251-I369 HydrophobicContact CD2-CG1 4.06Å; Y251-I369 HydrophobicContact CD2-CG2 4.23Å; Y251-I369 HydrophobicContact CE1-CD1 4.31Å; Y251-I369 HydrophobicContact CE2-CD1 4.24Å; Y251-I369 HydrophobicContact CE2-CG1 4.26Å; Y251-I369 HydrophobicContact CG-CD1 3.8Å; Y251-I369 HydrophobicContact CG-CG1 4.45Å; I284-I369 HydrophobicContact CG2-CD1 3.87Å; R293-I369 HydrophobicContact CG-CD1 3.98Å; I369-W371 HydrophobicContact CB-CZ2 4Å; I369-W371 HydrophobicContact CD1-CH2 4.16Å; I369-W371 HydrophobicContact CD1-CZ2 3.9Å; I369-W371 HydrophobicContact CG2-CD2 3.84Å; I369-W371 HydrophobicContact CG2-CE3 3.99Å; I369-W371 HydrophobicContact CG2-CH2 3.82Å; I369-W371 HydrophobicContact CG2-CZ2 3.65Å; I369-W371 HydrophobicContact CG2-CZ3 3.99Å
370	K	94.7	Very high	85.6	Confident	180 Å²	180	101.2 Å²	101.2	78%	0.783	49%	0.49	S	S	*	.			trans	-86.2	110.6	170.2	-66.5	-178.8	-178	174.3	0	109.8	S248 E368	S248-K370 WeakPolarHBondContact CB-O 3.4Å; E368-K370 PolarHBondContact O-N 2.8Å
371	W	96.3	Very high	87.7	Confident	64 Å²	64	96.1 Å²	96.1	24%	0.242	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.2	177.9	-58.9	113.4	0	0	0	111.3	A246 T253 I284 I369 E374	A246-W371 HydrophobicContact CB-CD2 3.68Å; A246-W371 HydrophobicContact CB-CE3 3.42Å; A246-W371 VanDerWaalsContact CB-CE3 3.42Å; A246-W371 HydrophobicContact CB-CG 4.24Å; A246-W371 HydrophobicContact CB-CH2 4.28Å; A246-W371 HydrophobicContact CB-CZ2 4.5Å; A246-W371 HydrophobicContact CB-CZ3 3.75Å; T253-W371 WeakPolarHBondContact OG1-CH2 3.43Å; T253-W371 WeakPolarHBondContact OG1-CZ2 3.45Å; I284-W371 HydrophobicContact CG2-CH2 4Å; I284-W371 HydrophobicContact CG2-CZ2 4.29Å; I369-W371 HydrophobicContact CB-CZ2 4Å; I369-W371 HydrophobicContact CD1-CH2 4.16Å; I369-W371 HydrophobicContact CD1-CZ2 3.9Å; I369-W371 HydrophobicContact CG2-CD2 3.84Å; I369-W371 HydrophobicContact CG2-CE3 3.99Å; I369-W371 HydrophobicContact CG2-CH2 3.82Å; I369-W371 HydrophobicContact CG2-CZ2 3.65Å; I369-W371 HydrophobicContact CG2-CZ3 3.99Å; W371-E374 HydrophobicContact CB-CG 3.63Å; W371-E374 HydrophobicContact CG-CG 4.11Å
372	H	95.3	Very high	89.4	Confident	109 Å²	109	96.8 Å²	96.8	51%	0.505	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-31.3	175.3	-63	-50.8	0	0	0	112.2	I247 D249	I247-H372 PolarHBondContact O-N 2.98Å; D249-H372 IonicContact OD1-CD2 3.63Å; D249-H372 IonicContact OD1-CE1 3.41Å; D249-H372 IonicContact OD1-NE2 3.35Å; D249-H372 PolarHBondContact OD1-NE2 2.98Å; D249-H372 IonicContact OD2-CE1 2.79Å; D249-H372 IonicContact OD2-NE2 2.78Å; D249-H372 PolarHBondContact OD2-NE2 3.32Å
373	Q	96.3	Very high	90.9	Very high	105 Å²	105	97.7 Å²	97.7	49%	0.491	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.5	179.8	-63	-178.9	40.9	0	0	108.8	L183 A246 I247	L183-Q373 HydrophobicContact CD1-CB 4.41Å; L183-Q373 HydrophobicContact CD2-CB 4.09Å; A246-Q373 WeakPolarHBondContact CA-O 3.41Å; I247-Q373 PolarHBondContact N-O 2.74Å; I247-Q373 PolarHBondContact O-N 3.21Å
374	E	97.1	Very high	92.4	Very high	138 Å²	138	89.1 Å²	89.1	65%	0.645	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.4	-179.3	-65.6	-177.7	-112.5	0	0	110.2	T245 A246 W371	T245-E374 CarbonylContact O-C 3.39Å; T245-E374 WeakPolarHBondContact O-CA 3.32Å; A246-E374 HydrophobicContact CB-CG 4.1Å; W371-E374 HydrophobicContact CB-CG 3.63Å; W371-E374 HydrophobicContact CG-CG 4.11Å
375	L	97	Very high	93.4	Very high	36 Å²	36	88 Å²	88	19%	0.188	41%	0.414	C	S	.	.			trans	-122.7	138	176.2	-170.5	70.6	0	0	0	108.4	L183 G184 T245 E379 A380	L183-L375 HydrophobicContact CD1-CB 4.43Å; L183-L375 HydrophobicContact CD2-CB 3.98Å; L183-L375 HydrophobicContact CG-CB 4.07Å; G184-L375 VanDerWaalsContact CA-CD2 3.44Å; T245-L375 PolarHBondContact O-N 3.2Å; L375-E379 HydrophobicContact CD1-CB 4.23Å; L375-E379 HydrophobicContact CD1-CG 3.73Å; L375-E379 HydrophobicContact CD2-CG 4.41Å; L375-E379 HydrophobicContact CG-CB 4.31Å; L375-E379 HydrophobicContact CG-CG 4.19Å; L375-A380 HydrophobicContact CD2-CB 3.96Å
376	S	97.1	Very high	94.5	Very high	61 Å²	61	82.8 Å²	82.8	43%	0.427	38%	0.382	S	S	.	.			trans	-63.7	151	176.6	92.3	0	0	0	0	111.2	E378 E379 A380	S376-E378 VanDerWaalsContact C-N 3.27Å; S376-E378 WeakPolarHBondContact CB-OE2 3.48Å; S376-E378 PolarHBondContact O-N 2.57Å; S376-E378 PolarHBondContact OG-OE2 2.76Å; S376-E379 PolarHBondContact O-N 2.84Å; S376-E379 PolarHBondContact OG-N 3.06Å; S376-A380 WeakPolarHBondContact O-CB 3.39Å; S376-A380 PolarHBondContact O-N 3.31Å
377	W	95.8	Very high	95.2	Very high	101 Å²	101	81.4 Å²	81.4	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-39.8	179	-174.8	-97.2	0	0	0	111.9	M255 T280 H282 A380 A381	M255-W377 HydrophobicContact CB-CZ3 4.38Å; M255-W377 HydrophobicContact CE-CD2 3.95Å; M255-W377 VanDerWaalsContact CE-CE2 3.41Å; M255-W377 HydrophobicContact CE-CE3 4.35Å; M255-W377 HydrophobicContact CE-CH2 3.84Å; M255-W377 HydrophobicContact CE-CZ2 3.37Å; M255-W377 HydrophobicContact CE-CZ3 4.3Å; M255-W377 HydrophobicContact CG-CE3 4.46Å; M255-W377 HydrophobicContact CG-CH2 3.94Å; M255-W377 HydrophobicContact CG-CZ2 4.43Å; M255-W377 HydrophobicContact CG-CZ3 3.95Å; M255-W377 HydrophobicContact SD-CD2 3.85Å; M255-W377 HydrophobicContact SD-CE3 3.79Å; M255-W377 HydrophobicContact SD-CH2 3.98Å; M255-W377 HydrophobicContact SD-CZ2 4.03Å; M255-W377 HydrophobicContact SD-CZ3 3.86Å; T280-W377 HydrophobicContact CG2-CH2 4.32Å; T280-W377 HydrophobicContact CG2-CZ2 3.74Å; H282-W377 HydrophobicContact CB-CH2 3.88Å; H282-W377 HydrophobicContact CB-CZ3 3.8Å; W377-A380 PolarHBondContact O-N 2.95Å; W377-A381 VanDerWaalsContact O-CB 3.29Å; W377-A381 WeakPolarHBondContact O-CB 3.37Å; W377-A381 PolarHBondContact O-N 2.72Å
378	E	95.5	Very high	95.7	Very high	133 Å²	133	73.3 Å²	73.3	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-66.3	-42.7	-178.6	-56.5	72.6	-156.1	0	0	111.4	S376 A381 R382	S376-E378 VanDerWaalsContact C-N 3.27Å; S376-E378 WeakPolarHBondContact CB-OE2 3.48Å; S376-E378 PolarHBondContact O-N 2.57Å; S376-E378 PolarHBondContact OG-OE2 2.76Å; E378-A381 PolarHBondContact O-N 2.89Å; E378-R382 WeakPolarHBondContact O-CB 3.04Å; E378-R382 PolarHBondContact O-N 3.5Å
379	E	96.5	Very high	96	Very high	49 Å²	49	64.8 Å²	64.8	23%	0.229	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-39.1	178.2	177.1	58.2	-168.3	0	0	111.1	L375 S376 R382 R383	L375-E379 HydrophobicContact CD1-CB 4.23Å; L375-E379 HydrophobicContact CD1-CG 3.73Å; L375-E379 HydrophobicContact CD2-CG 4.41Å; L375-E379 HydrophobicContact CG-CB 4.31Å; L375-E379 HydrophobicContact CG-CG 4.19Å; S376-E379 PolarHBondContact O-N 2.84Å; S376-E379 PolarHBondContact OG-N 3.06Å; E379-R382 VanDerWaalsContact CD-NH2 3.35Å; E379-R382 PolarHBondContact O-N 2.9Å; E379-R382 IonicContact OE1-CZ 3.73Å; E379-R382 IonicContact OE1-NE 3.64Å; E379-R382 IonicContact OE1-NH2 3.39Å; E379-R382 PolarHBondContact OE1-NH2 2.88Å; E379-R382 IonicContact OE2-CZ 3.78Å; E379-R382 IonicContact OE2-NE 2.84Å; E379-R382 PolarHBondContact OE2-NE 2.88Å; E379-R382 IonicContact OE2-NH2 2.71Å; E379-R382 PolarHBondContact OE2-NH2 3.23Å; E379-R382 VanDerWaalsContact OE2-NH2 3.12Å; E379-R383 VanDerWaalsContact O-CG 3.29Å; E379-R383 WeakPolarHBondContact O-CG 3.3Å; E379-R383 PolarHBondContact O-N 2.97Å; E379-R383 IonicContact OE1-CZ 2.82Å; E379-R383 IonicContact OE1-NE 3.81Å; E379-R383 PolarHBondContact OE1-NE 2.79Å; E379-R383 IonicContact OE1-NH2 3.14Å; E379-R383 PolarHBondContact OE1-NH2 2.83Å
380	A	97.6	Very high	96.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-50.7	172.8	0	0	0	0	0	111.5	T245 M255 L375 S376 W377 R382 R383 L384	T245-A380 HydrophobicContact CG2-CB 3.45Å; T245-A380 VanDerWaalsContact CG2-CB 3.45Å; M255-A380 HydrophobicContact SD-CB 3.62Å; L375-A380 HydrophobicContact CD2-CB 3.96Å; S376-A380 WeakPolarHBondContact O-CB 3.39Å; S376-A380 PolarHBondContact O-N 3.31Å; W377-A380 PolarHBondContact O-N 2.95Å; A380-R382 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 2.91Å; A380-R383 PolarHBondContact O-N 2.88Å; A380-R383 VanDerWaalsContact O-N 3.16Å; A380-L384 WeakPolarHBondContact O-CG 3.09Å; A380-L384 PolarHBondContact O-N 2.68Å
381	A	96.4	Very high	96.1	Very high	22 Å²	22	56.1 Å²	56.1	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-48	176.8	0	0	0	0	0	111.4	M255 W377 E378 R383 L384 E385	M255-A381 HydrophobicContact CE-CB 3.79Å; W377-A381 VanDerWaalsContact O-CB 3.29Å; W377-A381 WeakPolarHBondContact O-CB 3.37Å; W377-A381 PolarHBondContact O-N 2.72Å; E378-A381 PolarHBondContact O-N 2.89Å; A381-R383 VanDerWaalsContact C-N 3.33Å; A381-R383 PolarHBondContact O-N 3.01Å; A381-L384 PolarHBondContact O-N 3.23Å; A381-E385 WeakPolarHBondContact O-CB 3.39Å; A381-E385 WeakPolarHBondContact O-CG 3.43Å; A381-E385 PolarHBondContact O-N 3.11Å
382	R	96	Very high	96.1	Very high	120 Å²	120	54.6 Å²	54.6	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-41.3	177.7	-169.3	-170	69.6	79	2.3	112.2	E378 E379 A380 E385 V386	E378-R382 WeakPolarHBondContact O-CB 3.04Å; E378-R382 PolarHBondContact O-N 3.5Å; E379-R382 VanDerWaalsContact CD-NH2 3.35Å; E379-R382 PolarHBondContact O-N 2.9Å; E379-R382 IonicContact OE1-CZ 3.73Å; E379-R382 IonicContact OE1-NE 3.64Å; E379-R382 IonicContact OE1-NH2 3.39Å; E379-R382 PolarHBondContact OE1-NH2 2.88Å; E379-R382 IonicContact OE2-CZ 3.78Å; E379-R382 IonicContact OE2-NE 2.84Å; E379-R382 PolarHBondContact OE2-NE 2.88Å; E379-R382 IonicContact OE2-NH2 2.71Å; E379-R382 PolarHBondContact OE2-NH2 3.23Å; E379-R382 VanDerWaalsContact OE2-NH2 3.12Å; A380-R382 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 2.91Å; R382-E385 PolarHBondContact O-N 2.87Å; R382-V386 VanDerWaalsContact O-CG2 3.31Å; R382-V386 WeakPolarHBondContact O-CG2 3.46Å; R382-V386 PolarHBondContact O-N 3.08Å
383	R	97.1	Very high	96.1	Very high	78 Å²	78	55.7 Å²	55.7	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-39.9	178.2	-70.6	-176.6	-169.5	-168	7.4	112.3	L183 G184 P186 E379 A380 A381 A387	L183-R383 PolarHBondContact O-NH1 3.46Å; G184-R383 VanDerWaalsContact C-NH1 3.28Å; G184-R383 WeakPolarHBondContact O-CD 3.21Å; G184-R383 PolarHBondContact O-NH1 3.47Å; P186-R383 HydrophobicContact CG-CB 4.14Å; E379-R383 VanDerWaalsContact O-CG 3.29Å; E379-R383 WeakPolarHBondContact O-CG 3.3Å; E379-R383 PolarHBondContact O-N 2.97Å; E379-R383 IonicContact OE1-CZ 2.82Å; E379-R383 IonicContact OE1-NE 3.81Å; E379-R383 PolarHBondContact OE1-NE 2.79Å; E379-R383 IonicContact OE1-NH2 3.14Å; E379-R383 PolarHBondContact OE1-NH2 2.83Å; A380-R383 PolarHBondContact O-N 2.88Å; A380-R383 VanDerWaalsContact O-N 3.16Å; A381-R383 VanDerWaalsContact C-N 3.33Å; A381-R383 PolarHBondContact O-N 3.01Å; R383-A387 WeakPolarHBondContact O-CB 3.19Å; R383-A387 PolarHBondContact O-N 3.31Å
384	L	97.7	Very high	96.1	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-40.5	173.8	-62.4	179.2	0	0	0	111.7	P186 V241 A242 C243 M255 A380 A381 A387 M388	P186-L384 HydrophobicContact CB-CD2 4.45Å; V241-L384 HydrophobicContact CB-CD2 4.45Å; V241-L384 HydrophobicContact CG1-CB 4.16Å; V241-L384 HydrophobicContact CG1-CD2 4.01Å; V241-L384 HydrophobicContact CG2-CD2 3.91Å; A242-L384 VanDerWaalsContact C-CD2 3.43Å; C243-L384 HydrophobicContact CB-CD2 3.81Å; C243-L384 HydrophobicContact CB-CG 4.49Å; M255-L384 HydrophobicContact CB-CD1 4.33Å; M255-L384 HydrophobicContact CG-CD1 3.84Å; M255-L384 HydrophobicContact SD-CD1 4.27Å; A380-L384 WeakPolarHBondContact O-CG 3.09Å; A380-L384 PolarHBondContact O-N 2.68Å; A381-L384 PolarHBondContact O-N 3.23Å; L384-A387 PolarHBondContact O-N 2.83Å; L384-M388 PolarHBondContact O-N 3.17Å; L384-M388 VanDerWaalsContact O-N 3.09Å
385	E	95.7	Very high	96	Very high	49 Å²	49	48.7 Å²	48.7	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-52.1	173.3	-81.1	-177.6	-153.7	0	0	111.6	A381 R382 A387 M388 Y389 K392	A381-E385 WeakPolarHBondContact O-CB 3.39Å; A381-E385 WeakPolarHBondContact O-CG 3.43Å; A381-E385 PolarHBondContact O-N 3.11Å; R382-E385 PolarHBondContact O-N 2.87Å; E385-A387 VanDerWaalsContact C-N 3.26Å; E385-A387 PolarHBondContact O-N 3.5Å; E385-M388 PolarHBondContact O-N 2.82Å; E385-Y389 WeakPolarHBondContact O-CA 3.25Å; E385-Y389 WeakPolarHBondContact O-CB 3.45Å; E385-Y389 PolarHBondContact O-N 2.96Å; E385-K392 IonicContact OE2-NZ 3.87Å; E385-K392 PolarHBondContact OE2-NZ 3.49Å
386	V	96.3	Very high	96	Very high	30 Å²	30	48.1 Å²	48.1	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-32.8	-179.8	173	0	0	0	0	112	R382 Y389 K392 K393	R382-V386 VanDerWaalsContact O-CG2 3.31Å; R382-V386 WeakPolarHBondContact O-CG2 3.46Å; R382-V386 PolarHBondContact O-N 3.08Å; V386-Y389 CarbonylContact O-C 3.49Å; V386-K392 HydrophobicContact CG2-CB 3.83Å; V386-K393 HydrophobicContact CG1-CG 3.94Å
387	A	95.6	Very high	96	Very high	33 Å²	33	46 Å²	46	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-67.4	-38.6	176.3	0	0	0	0	0	112.7	P186 V241 R383 L384 E385	P186-A387 HydrophobicContact CB-CB 3.77Å; P186-A387 HydrophobicContact CG-CB 3.97Å; V241-A387 HydrophobicContact CG2-CB 4.03Å; R383-A387 WeakPolarHBondContact O-CB 3.19Å; R383-A387 PolarHBondContact O-N 3.31Å; L384-A387 PolarHBondContact O-N 2.83Å; E385-A387 VanDerWaalsContact C-N 3.26Å; E385-A387 PolarHBondContact O-N 3.5Å
388	M	94.7	Very high	96	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-79.3	-34.3	175.2	-78.6	-89.2	-174.2	0	0	112.4	W188 P237 V241 H259 L384 E385	W188-M388 HydrophobicContact CE3-CE 4.42Å; W188-M388 HydrophobicContact CH2-CE 3.8Å; W188-M388 HydrophobicContact CH2-CG 4.18Å; W188-M388 HydrophobicContact CH2-SD 3.54Å; W188-M388 VanDerWaalsContact CH2-SD 3.54Å; W188-M388 HydrophobicContact CZ3-CE 3.42Å; W188-M388 VanDerWaalsContact CZ3-CE 3.42Å; W188-M388 HydrophobicContact CZ3-SD 3.81Å; P237-M388 HydrophobicContact CB-SD 3.81Å; P237-M388 HydrophobicContact CG-CB 4.18Å; P237-M388 WeakPolarHBondContact CG-O 3.45Å; P237-M388 HydrophobicContact CG-SD 3.91Å; V241-M388 HydrophobicContact CB-CE 3.91Å; V241-M388 HydrophobicContact CB-CG 4.41Å; V241-M388 HydrophobicContact CG1-CE 3.57Å; V241-M388 HydrophobicContact CG1-CG 3.61Å; V241-M388 HydrophobicContact CG1-SD 4.43Å; H259-M388 VanDerWaalsContact CE1-SD 3.54Å; L384-M388 PolarHBondContact O-N 3.17Å; L384-M388 VanDerWaalsContact O-N 3.09Å; E385-M388 PolarHBondContact O-N 2.82Å
389	Y	94.9	Very high	96	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.016	20%	0.197	C	C	.	.			trans	-130.8	84.3	-171.3	-63.5	-72	0	0	0	110.6	P237 R257 H259 E385 V386 F391 K392 D423 D424 Q425 R435	P237-Y389 HydrophobicContact CG-CD1 4.14Å; P237-Y389 HydrophobicContact CG-CE1 3.49Å; P237-Y389 VanDerWaalsContact CG-CE1 3.49Å; P237-Y389 HydrophobicContact CG-CE2 4.13Å; R257-Y389 VanDerWaalsContact CZ-CE2 3.49Å; H259-Y389 AromaticContact CE1-CE2 3.78Å; H259-Y389 AromaticContact CE1-CZ 3.68Å; H259-Y389 PolarHBondContact CE1-OH 3.23Å; H259-Y389 PolarHBondContact NE2-OH 3.37Å; E385-Y389 WeakPolarHBondContact O-CA 3.25Å; E385-Y389 WeakPolarHBondContact O-CB 3.45Å; E385-Y389 PolarHBondContact O-N 2.96Å; V386-Y389 CarbonylContact O-C 3.49Å; Y389-F391 HydrophobicContact CD1-CD1 4.37Å; Y389-F391 AromaticContact CD1-CE1 3.91Å; Y389-F391 HydrophobicContact CD1-CE1 3.91Å; Y389-F391 HydrophobicContact CG-CD1 4.44Å; Y389-F391 AromaticContact CG-CE1 3.95Å; Y389-F391 HydrophobicContact CG-CE1 3.95Å; Y389-F391 PolarHBondContact O-N 2.78Å; Y389-K392 WeakPolarHBondContact O-CB 3.45Å; Y389-K392 PolarHBondContact O-N 3.12Å; Y389-D423 WeakPolarHBondContact CD2-O 3.3Å; Y389-D423 WeakPolarHBondContact CE2-O 3.35Å; Y389-D424 WeakPolarHBondContact OH-CA 3.23Å; Y389-Q425 PolarHBondContact OH-NE2 3.09Å; Y389-R435 VanDerWaalsContact CE1-NH1 3.28Å
390	P	93.8	Very high	95.9	Very high	35 Å²	35	38.9 Å²	38.9	23%	0.227	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.7	-23.7	-176.5	-26.8	36.1	0	0	0	114.3	K392 K393 E440	P390-K392 PolarHBondContact O-N 3.08Å; P390-K393 WeakPolarHBondContact O-CB 3.31Å; P390-K393 WeakPolarHBondContact O-CD 3.35Å; P390-K393 WeakPolarHBondContact O-CG 3.49Å; P390-K393 PolarHBondContact O-N 2.82Å; P390-E440 HydrophobicContact CB-CB 3.99Å
391	F	95	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58	-28.4	174.2	85.9	-91	0	0	0	113.4	Y389 K393 V394 Y396 L422 D423 R435 L439	Y389-F391 HydrophobicContact CD1-CD1 4.37Å; Y389-F391 AromaticContact CD1-CE1 3.91Å; Y389-F391 HydrophobicContact CD1-CE1 3.91Å; Y389-F391 HydrophobicContact CG-CD1 4.44Å; Y389-F391 AromaticContact CG-CE1 3.95Å; Y389-F391 HydrophobicContact CG-CE1 3.95Å; Y389-F391 PolarHBondContact O-N 2.78Å; F391-K393 PolarHBondContact O-N 2.77Å; F391-V394 PolarHBondContact O-N 3.33Å; F391-Y396 HydrophobicContact CD2-CD2 4.17Å; F391-Y396 AromaticContact CD2-CE2 3.43Å; F391-Y396 HydrophobicContact CD2-CE2 3.43Å; F391-Y396 VanDerWaalsContact CD2-CE2 3.43Å; F391-Y396 AromaticContact CD2-CZ 3.85Å; F391-Y396 HydrophobicContact CE2-CD2 4.05Å; F391-Y396 AromaticContact CE2-CE2 3.73Å; F391-Y396 HydrophobicContact CE2-CE2 3.73Å; F391-L422 HydrophobicContact CD2-CD2 4.43Å; F391-L422 HydrophobicContact CE1-CG 4.27Å; F391-L422 HydrophobicContact CE2-CD2 3.7Å; F391-L422 HydrophobicContact CE2-CG 3.95Å; F391-L422 HydrophobicContact CZ-CB 4.32Å; F391-L422 HydrophobicContact CZ-CD2 3.94Å; F391-L422 HydrophobicContact CZ-CG 3.63Å; F391-D423 HydrophobicContact CZ-CB 4.05Å; F391-R435 HydrophobicContact CD1-CB 3.75Å; F391-R435 HydrophobicContact CE1-CB 3.98Å; F391-R435 HydrophobicContact CG-CB 4.42Å; F391-L439 HydrophobicContact CB-CB 3.61Å; F391-L439 WeakPolarHBondContact CB-O 3.08Å; F391-L439 HydrophobicContact CD2-CD1 4.48Å; F391-L439 HydrophobicContact CG-CB 4.26Å
392	K	95.9	Very high	95.9	Very high	33 Å²	33	42.3 Å²	42.3	14%	0.143	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-67.9	0.8	175.1	-71.9	-73.4	-167.8	110.3	0	114.2	E385 V386 Y389 P390 V394 Y396 D423	E385-K392 IonicContact OE2-NZ 3.87Å; E385-K392 PolarHBondContact OE2-NZ 3.49Å; V386-K392 HydrophobicContact CG2-CB 3.83Å; Y389-K392 WeakPolarHBondContact O-CB 3.45Å; Y389-K392 PolarHBondContact O-N 3.12Å; P390-K392 PolarHBondContact O-N 3.08Å; K392-V394 CarbonylContact C-O 3.48Å; K392-V394 PolarHBondContact O-N 3.14Å; K392-V394 VanDerWaalsContact O-O 3.08Å; K392-Y396 HydrophobicContact CD-CD2 4.21Å; K392-D423 WeakPolarHBondContact CE-OD2 3.37Å; K392-D423 IonicContact NZ-OD2 2.76Å; K392-D423 PolarHBondContact NZ-OD2 3.12Å
393	K	95.9	Very high	96	Very high	131 Å²	131	36.6 Å²	36.6	57%	0.57	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-61.3	-24.3	162.1	-71.7	171.3	-175.3	170.5	0	111.7	V386 P390 F391 L445	V386-K393 HydrophobicContact CG1-CG 3.94Å; P390-K393 WeakPolarHBondContact O-CB 3.31Å; P390-K393 WeakPolarHBondContact O-CD 3.35Å; P390-K393 WeakPolarHBondContact O-CG 3.49Å; P390-K393 PolarHBondContact O-N 2.82Å; F391-K393 PolarHBondContact O-N 2.77Å; K393-L445 HydrophobicContact CB-CD2 4.3Å; K393-L445 HydrophobicContact CD-CD1 4.11Å
394	V	96.4	Very high	95.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	19%	0.192	C	C	.	.	S	Bend	trans	-81	133.3	162.7	172.2	0	0	0	0	108.7	F391 K392 Y396 L445 L448 S454	F391-V394 PolarHBondContact O-N 3.33Å; K392-V394 CarbonylContact C-O 3.48Å; K392-V394 PolarHBondContact O-N 3.14Å; K392-V394 VanDerWaalsContact O-O 3.08Å; V394-Y396 HydrophobicContact CB-CD2 4.24Å; V394-Y396 HydrophobicContact CB-CE2 3.65Å; V394-Y396 HydrophobicContact CG1-CD2 4.15Å; V394-Y396 HydrophobicContact CG1-CE2 3.75Å; V394-Y396 WeakPolarHBondContact O-CD2 3.35Å; V394-Y396 PolarHBondContact O-N 2.74Å; V394-Y396 VanDerWaalsContact O-N 3.13Å; V394-L445 HydrophobicContact CG2-CD2 3.69Å; V394-L448 HydrophobicContact CG1-CB 4.18Å; V394-L448 HydrophobicContact CG2-CB 3.71Å; V394-L448 HydrophobicContact CG2-CD1 4.08Å; V394-S454 WeakPolarHBondContact CG1-OG 3.32Å
395	N	95.1	Very high	95.8	Very high	94 Å²	94	40.8 Å²	40.8	50%	0.503	21%	0.209	S	C	.	.			trans	-79	96.6	178.5	-172.9	40.1	0	0	0	110.9	L397	N395-L397 VanDerWaalsContact ND2-CD2 3.33Å; N395-L397 WeakPolarHBondContact ND2-CD2 3.36Å
396	Y	97	Very high	95.9	Very high	24 Å²	24	38.5 Å²	38.5	9%	0.094	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.3	173.6	-68.2	-92.8	0	0	0	110.1	F391 K392 V394 S454 W456	F391-Y396 HydrophobicContact CD2-CD2 4.17Å; F391-Y396 AromaticContact CD2-CE2 3.43Å; F391-Y396 HydrophobicContact CD2-CE2 3.43Å; F391-Y396 VanDerWaalsContact CD2-CE2 3.43Å; F391-Y396 AromaticContact CD2-CZ 3.85Å; F391-Y396 HydrophobicContact CE2-CD2 4.05Å; F391-Y396 AromaticContact CE2-CE2 3.73Å; F391-Y396 HydrophobicContact CE2-CE2 3.73Å; K392-Y396 HydrophobicContact CD-CD2 4.21Å; V394-Y396 HydrophobicContact CB-CD2 4.24Å; V394-Y396 HydrophobicContact CB-CE2 3.65Å; V394-Y396 HydrophobicContact CG1-CD2 4.15Å; V394-Y396 HydrophobicContact CG1-CE2 3.75Å; V394-Y396 WeakPolarHBondContact O-CD2 3.35Å; V394-Y396 PolarHBondContact O-N 2.74Å; V394-Y396 VanDerWaalsContact O-N 3.13Å; Y396-S454 WeakPolarHBondContact CA-O 3.5Å; Y396-W456 AromaticContact CD1-CD1 3.74Å; Y396-W456 AromaticContact CG-CD1 3.8Å
397	L	96.9	Very high	95.8	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	157.2	179.7	-62.7	176.8	0	0	0	111.1	N395 E401 A402 R405 I453 S454 T455	N395-L397 VanDerWaalsContact ND2-CD2 3.33Å; N395-L397 WeakPolarHBondContact ND2-CD2 3.36Å; L397-E401 HydrophobicContact CD1-CG 4.47Å; L397-A402 HydrophobicContact CB-CB 4.03Å; L397-R405 HydrophobicContact CD1-CB 4.19Å; L397-R405 HydrophobicContact CD1-CG 4.4Å; L397-I453 HydrophobicContact CD1-CG2 3.92Å; L397-S454 PolarHBondContact N-O 2.97Å; L397-T455 WeakPolarHBondContact O-CB 3.28Å; L397-T455 PolarHBondContact O-OG1 2.97Å
398	P	95.6	Very high	95.8	Very high	79 Å²	79	44.3 Å²	44.3	51%	0.513	23%	0.228	S	C	.	.			trans	-52.1	146	165.1	-24.6	34.2	0	0	0	111.4	T400 E401 A402	P398-T400 PolarHBondContact O-N 3.08Å; P398-E401 HydrophobicContact CB-CB 4.34Å; P398-E401 WeakPolarHBondContact CD-OE2 3.33Å; P398-E401 PolarHBondContact O-N 3.4Å; P398-E401 VanDerWaalsContact O-N 3.12Å; P398-A402 PolarHBondContact O-N 3.35Å
399	F	96.2	Very high	95.8	Very high	16 Å²	16	47.3 Å²	47.3	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-46.9	-54.1	-171	-175.7	-108.5	0	0	0	114	A402 F403 T455 S457 L462 L465 L477 H481	F399-A402 WeakPolarHBondContact O-CB 3.34Å; F399-A402 PolarHBondContact O-N 3.07Å; F399-F403 HydrophobicContact CD2-CE2 4.09Å; F399-F403 HydrophobicContact CE2-CD2 4.3Å; F399-F403 AromaticContact CE2-CE2 3.61Å; F399-F403 HydrophobicContact CE2-CE2 3.61Å; F399-F403 HydrophobicContact CZ-CD2 4.3Å; F399-F403 AromaticContact CZ-CE2 3.85Å; F399-F403 HydrophobicContact CZ-CE2 3.85Å; F399-F403 VanDerWaalsContact O-CD2 3.28Å; F399-F403 WeakPolarHBondContact O-CD2 3.37Å; F399-F403 PolarHBondContact O-N 3.49Å; F399-T455 WeakPolarHBondContact CA-OG1 3.47Å; F399-T455 HydrophobicContact CD2-CG2 4.47Å; F399-S457 WeakPolarHBondContact CB-OG 3.28Å; F399-S457 VanDerWaalsContact CD2-OG 3.32Å; F399-S457 WeakPolarHBondContact CD2-OG 3.27Å; F399-L462 HydrophobicContact CB-CD2 4.45Å; F399-L462 HydrophobicContact CD1-CD2 3.65Å; F399-L462 HydrophobicContact CD2-CD2 3.95Å; F399-L462 HydrophobicContact CE1-CD2 3.74Å; F399-L462 HydrophobicContact CE2-CD1 4.01Å; F399-L462 HydrophobicContact CE2-CD2 4.03Å; F399-L462 HydrophobicContact CG-CD2 3.75Å; F399-L462 HydrophobicContact CZ-CD1 4.07Å; F399-L462 HydrophobicContact CZ-CD2 3.93Å; F399-L465 HydrophobicContact CD1-CD2 3.81Å; F399-L465 HydrophobicContact CE1-CD2 4.08Å; F399-L477 HydrophobicContact CE1-CB 3.85Å; F399-L477 HydrophobicContact CZ-CB 4.09Å; F399-H481 AromaticContact CE2-CD2 3.74Å; F399-H481 AromaticContact CE2-CE1 3.84Å; F399-H481 AromaticContact CE2-CG 3.9Å; F399-H481 AromaticContact CE2-ND1 3.95Å; F399-H481 AromaticContact CE2-NE2 3.7Å; F399-H481 AromaticContact CZ-CE1 3.77Å; F399-H481 AromaticContact CZ-CG 3.88Å; F399-H481 AromaticContact CZ-ND1 3.62Å
400	T	94.9	Very high	95.8	Very high	40 Å²	40	54.4 Å²	54.4	25%	0.245	27%	0.273	C	S	.	.	H	α-helix	trans	-68.2	-43	-176.5	50.2	0	0	0	0	112	P398 A402 F403 D404 L465 H474	P398-T400 PolarHBondContact O-N 3.08Å; T400-A402 VanDerWaalsContact C-N 3.3Å; T400-A402 PolarHBondContact O-N 2.63Å; T400-F403 PolarHBondContact O-N 2.86Å; T400-D404 PolarHBondContact O-N 3.14Å; T400-L465 HydrophobicContact CG2-CD2 4.09Å; T400-H474 HydrophobicContact CG2-CB 4.12Å; T400-H474 WeakPolarHBondContact CG2-ND1 3.33Å
401	E	96.3	Very high	95.9	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-38	177.1	-171.7	-175	159.5	0	0	111.8	L397 P398 F403 D404 R405	L397-E401 HydrophobicContact CD1-CG 4.47Å; P398-E401 HydrophobicContact CB-CB 4.34Å; P398-E401 WeakPolarHBondContact CD-OE2 3.33Å; P398-E401 PolarHBondContact O-N 3.4Å; P398-E401 VanDerWaalsContact O-N 3.12Å; E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 PolarHBondContact O-N 2.68Å; E401-D404 PolarHBondContact O-N 2.97Å; E401-R405 VanDerWaalsContact O-CB 3.3Å; E401-R405 WeakPolarHBondContact O-CB 3.45Å; E401-R405 PolarHBondContact O-N 2.75Å
402	A	97.8	Very high	96.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-44.4	177.1	0	0	0	0	0	111.9	L397 P398 F399 T400 A406 I453 T455	L397-A402 HydrophobicContact CB-CB 4.03Å; P398-A402 PolarHBondContact O-N 3.35Å; F399-A402 WeakPolarHBondContact O-CB 3.34Å; F399-A402 PolarHBondContact O-N 3.07Å; T400-A402 VanDerWaalsContact C-N 3.3Å; T400-A402 PolarHBondContact O-N 2.63Å; A402-A406 VanDerWaalsContact O-CB 3.22Å; A402-A406 WeakPolarHBondContact O-CB 3.26Å; A402-A406 PolarHBondContact O-N 3.24Å; A402-I453 HydrophobicContact CB-CG2 4.01Å; A402-I453 WeakPolarHBondContact O-CG2 3.44Å; A402-T455 HydrophobicContact CB-CG2 4.01Å
403	F	97	Very high	96.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71.7	-36.7	178	-79	-78.9	0	0	0	112.8	F399 T400 E401 A406 R407 V413 L477 H481 C494 L495	F399-F403 HydrophobicContact CD2-CE2 4.09Å; F399-F403 HydrophobicContact CE2-CD2 4.3Å; F399-F403 AromaticContact CE2-CE2 3.61Å; F399-F403 HydrophobicContact CE2-CE2 3.61Å; F399-F403 HydrophobicContact CZ-CD2 4.3Å; F399-F403 AromaticContact CZ-CE2 3.85Å; F399-F403 HydrophobicContact CZ-CE2 3.85Å; F399-F403 VanDerWaalsContact O-CD2 3.28Å; F399-F403 WeakPolarHBondContact O-CD2 3.37Å; F399-F403 PolarHBondContact O-N 3.49Å; T400-F403 PolarHBondContact O-N 2.86Å; E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 PolarHBondContact O-N 2.68Å; F403-A406 PolarHBondContact O-N 2.99Å; F403-R407 WeakPolarHBondContact O-CB 3.2Å; F403-R407 PolarHBondContact O-N 3.45Å; F403-V413 HydrophobicContact CD1-CG2 3.89Å; F403-V413 HydrophobicContact CE1-CB 4.01Å; F403-V413 HydrophobicContact CE1-CG1 4.28Å; F403-V413 HydrophobicContact CE1-CG2 3.72Å; F403-V413 HydrophobicContact CE2-CG1 4.22Å; F403-V413 HydrophobicContact CG-CG2 4.46Å; F403-V413 HydrophobicContact CZ-CB 4.04Å; F403-V413 HydrophobicContact CZ-CG1 3.84Å; F403-V413 HydrophobicContact CZ-CG2 4.13Å; F403-L477 HydrophobicContact CB-CD1 3.63Å; F403-L477 HydrophobicContact CD1-CD1 4.39Å; F403-L477 HydrophobicContact CD1-CD2 3.86Å; F403-L477 HydrophobicContact CD2-CD1 3.97Å; F403-L477 HydrophobicContact CE1-CD2 4.29Å; F403-L477 HydrophobicContact CG-CD1 3.71Å; F403-L477 HydrophobicContact CG-CD2 4.03Å; F403-L477 HydrophobicContact CG-CG 4.44Å; F403-H481 AromaticContact CE2-CE1 3.57Å; F403-H481 AromaticContact CE2-NE2 3.72Å; F403-H481 AromaticContact CZ-CE1 3.18Å; F403-H481 WeakPolarHBondContact CZ-CE1 3.2Å; F403-H481 AromaticContact CZ-NE2 3.37Å; F403-H481 WeakPolarHBondContact CZ-NE2 3.31Å; F403-C494 HydrophobicContact CE1-CB 3.93Å; F403-C494 HydrophobicContact CZ-CB 4.04Å; F403-L495 WeakPolarHBondContact CE1-O 3.46Å
404	D	95	Very high	96.3	Very high	70 Å²	70	48 Å²	48	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-42.5	175.1	-74.2	-22.3	0	0	0	111.8	T400 E401 R407 A408	T400-D404 PolarHBondContact O-N 3.14Å; E401-D404 PolarHBondContact O-N 2.97Å; D404-R407 WeakPolarHBondContact O-CB 3.49Å; D404-R407 PolarHBondContact O-N 2.82Å; D404-R407 IonicContact OD1-CZ 3.18Å; D404-R407 IonicContact OD1-NE 2.7Å; D404-R407 IonicContact OD1-NH2 2.79Å; D404-R407 PolarHBondContact OD1-NH2 2.65Å; D404-A408 PolarHBondContact O-N 3.26Å
405	R	96.8	Very high	96.4	Very high	99 Å²	99	48 Å²	48	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-42	174.1	-171	175.4	-178.9	170	-3.1	112.1	L397 E401 R407 A408 E409 I453	L397-R405 HydrophobicContact CD1-CB 4.19Å; L397-R405 HydrophobicContact CD1-CG 4.4Å; E401-R405 VanDerWaalsContact O-CB 3.3Å; E401-R405 WeakPolarHBondContact O-CB 3.45Å; E401-R405 PolarHBondContact O-N 2.75Å; R405-R407 VanDerWaalsContact C-N 3.26Å; R405-R407 PolarHBondContact O-N 2.96Å; R405-A408 PolarHBondContact O-N 3.04Å; R405-E409 HydrophobicContact CG-CG 4.31Å; R405-E409 WeakPolarHBondContact CG-OE1 3.47Å; R405-E409 IonicContact CZ-OE1 2.99Å; R405-E409 IonicContact NE-OE1 3.71Å; R405-E409 PolarHBondContact NE-OE1 3.18Å; R405-E409 IonicContact NH2-OE1 3.24Å; R405-E409 PolarHBondContact NH2-OE1 2.81Å; R405-E409 VanDerWaalsContact NH2-OE1 3.14Å; R405-E409 WeakPolarHBondContact O-CB 3.36Å; R405-E409 PolarHBondContact O-N 3.14Å; R405-I453 HydrophobicContact CB-CG2 4.44Å; R405-I453 HydrophobicContact CG-CD1 3.99Å; R405-I453 HydrophobicContact CG-CG1 4.4Å
406	A	97	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-36.7	176	0	0	0	0	0	112.3	A402 F403 K410 K411 V413 I453 P496	A402-A406 VanDerWaalsContact O-CB 3.22Å; A402-A406 WeakPolarHBondContact O-CB 3.26Å; A402-A406 PolarHBondContact O-N 3.24Å; F403-A406 PolarHBondContact O-N 2.99Å; A406-K410 VanDerWaalsContact O-CA 3.27Å; A406-K410 WeakPolarHBondContact O-CA 3.47Å; A406-K410 PolarHBondContact O-N 2.82Å; A406-K411 PolarHBondContact O-N 2.9Å; A406-K411 VanDerWaalsContact O-N 3.08Å; A406-V413 HydrophobicContact CB-CG2 3.31Å; A406-I453 HydrophobicContact CB-CB 4.31Å; A406-I453 HydrophobicContact CB-CG1 4.05Å; A406-P496 HydrophobicContact CB-CB 4.32Å; A406-P496 HydrophobicContact CB-CG 4.29Å
407	R	94.6	Very high	96.6	Very high	100 Å²	100	42.3 Å²	42.3	38%	0.377	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-43.7	174.8	-162.7	-164.9	-33.4	-89.2	-6.8	111.8	F403 D404 R405 L473 P496	F403-R407 WeakPolarHBondContact O-CB 3.2Å; F403-R407 PolarHBondContact O-N 3.45Å; D404-R407 WeakPolarHBondContact O-CB 3.49Å; D404-R407 PolarHBondContact O-N 2.82Å; D404-R407 IonicContact OD1-CZ 3.18Å; D404-R407 IonicContact OD1-NE 2.7Å; D404-R407 IonicContact OD1-NH2 2.79Å; D404-R407 PolarHBondContact OD1-NH2 2.65Å; R405-R407 VanDerWaalsContact C-N 3.26Å; R405-R407 PolarHBondContact O-N 2.96Å; R407-L473 VanDerWaalsContact NH2-CD2 3.32Å; R407-P496 HydrophobicContact CB-CB 4.14Å
408	A	95.6	Very high	96.5	Very high	85 Å²	85	41.6 Å²	41.6	70%	0.702	21%	0.209	S	C	*	.	H	α-helix	trans	-67	-43	178.3	0	0	0	0	0	112.4	D404 R405	D404-A408 PolarHBondContact O-N 3.26Å; R405-A408 PolarHBondContact O-N 3.04Å
409	E	95.1	Very high	96.4	Very high	72 Å²	72	39.3 Å²	39.3	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-87.1	-7.9	-178.1	-66.6	-169.1	-153.2	0	0	113.9	R405 K411	R405-E409 HydrophobicContact CG-CG 4.31Å; R405-E409 WeakPolarHBondContact CG-OE1 3.47Å; R405-E409 IonicContact CZ-OE1 2.99Å; R405-E409 IonicContact NE-OE1 3.71Å; R405-E409 PolarHBondContact NE-OE1 3.18Å; R405-E409 IonicContact NH2-OE1 3.24Å; R405-E409 PolarHBondContact NH2-OE1 2.81Å; R405-E409 VanDerWaalsContact NH2-OE1 3.14Å; R405-E409 WeakPolarHBondContact O-CB 3.36Å; R405-E409 PolarHBondContact O-N 3.14Å; E409-K411 VanDerWaalsContact C-N 3.3Å; E409-K411 HydrophobicContact CB-CB 4.47Å; E409-K411 HydrophobicContact CB-CD 4.17Å; E409-K411 HydrophobicContact CB-CG 4.13Å; E409-K411 PolarHBondContact O-N 3.23Å; E409-K411 WeakPolarHBondContact OE2-CD 3.33Å; E409-K411 WeakPolarHBondContact OE2-CE 3.16Å; E409-K411 IonicContact OE2-NZ 3.15Å; E409-K411 PolarHBondContact OE2-NZ 3.27Å
410	K	94.5	Very high	96.3	Very high	153 Å²	153	38.5 Å²	38.5	67%	0.665	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	45.8	-172.7	-56.3	-179.6	-179.2	-178.7	0	112.4	A406	A406-K410 VanDerWaalsContact O-CA 3.27Å; A406-K410 WeakPolarHBondContact O-CA 3.47Å; A406-K410 PolarHBondContact O-N 2.82Å
411	K	96.4	Very high	96.2	Very high	63 Å²	63	36.6 Å²	36.6	27%	0.274	18%	0.175	S	C	.	.			trans	-111.8	156.7	179.2	-76.8	-177.8	179.2	165.6	0	111.5	A406 E409 I453 P496	A406-K411 PolarHBondContact O-N 2.9Å; A406-K411 VanDerWaalsContact O-N 3.08Å; E409-K411 VanDerWaalsContact C-N 3.3Å; E409-K411 HydrophobicContact CB-CB 4.47Å; E409-K411 HydrophobicContact CB-CD 4.17Å; E409-K411 HydrophobicContact CB-CG 4.13Å; E409-K411 PolarHBondContact O-N 3.23Å; E409-K411 WeakPolarHBondContact OE2-CD 3.33Å; E409-K411 WeakPolarHBondContact OE2-CE 3.16Å; E409-K411 IonicContact OE2-NZ 3.15Å; E409-K411 PolarHBondContact OE2-NZ 3.27Å; K411-I453 HydrophobicContact CB-CG1 4.09Å; K411-I453 HydrophobicContact CD-CD1 4.06Å; K411-I453 HydrophobicContact CD-CG1 4.43Å; K411-P496 WeakPolarHBondContact O-CG 3.12Å
412	L	98	Very high	96.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	154.8	169.1	-61.2	179.7	0	0	0	110.2	F452 I453 I493 C494 L495 L548 L555	L412-F452 HydrophobicContact CB-CD1 3.81Å; L412-F452 HydrophobicContact CB-CE1 3.97Å; L412-F452 HydrophobicContact CD1-CE1 4.23Å; L412-F452 WeakPolarHBondContact O-CA 3.38Å; L412-I453 PolarHBondContact O-N 3.22Å; L412-I493 HydrophobicContact CB-CG2 4.3Å; L412-I493 HydrophobicContact CD1-CG2 3.97Å; L412-C494 WeakPolarHBondContact CA-O 3.45Å; L412-L495 HydrophobicContact CD2-CD2 3.62Å; L412-L495 HydrophobicContact CD2-CG 4.46Å; L412-L548 HydrophobicContact CD1-CD2 4.02Å; L412-L555 HydrophobicContact CD2-CD1 3.65Å; L412-L555 HydrophobicContact CD2-CD2 4.14Å; L412-L555 HydrophobicContact CD2-CG 3.83Å; L412-L555 HydrophobicContact CG-CD1 3.84Å
413	V	98.5	Very high	96	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.4	173.3	-178.8	0	0	0	0	109.3	F403 A406 I453 T455 I493 C494	F403-V413 HydrophobicContact CD1-CG2 3.89Å; F403-V413 HydrophobicContact CE1-CB 4.01Å; F403-V413 HydrophobicContact CE1-CG1 4.28Å; F403-V413 HydrophobicContact CE1-CG2 3.72Å; F403-V413 HydrophobicContact CE2-CG1 4.22Å; F403-V413 HydrophobicContact CG-CG2 4.46Å; F403-V413 HydrophobicContact CZ-CB 4.04Å; F403-V413 HydrophobicContact CZ-CG1 3.84Å; F403-V413 HydrophobicContact CZ-CG2 4.13Å; A406-V413 HydrophobicContact CB-CG2 3.31Å; V413-I453 CarbonylContact C-O 3.59Å; V413-I453 WeakPolarHBondContact CA-O 3.29Å; V413-T455 HydrophobicContact CG1-CG2 3.72Å; V413-I493 CarbonylContact O-C 3.59Å; V413-I493 WeakPolarHBondContact O-CA 3.39Å; V413-C494 HydrophobicContact CB-CB 4.22Å; V413-C494 PolarHBondContact N-O 3.43Å; V413-C494 PolarHBondContact O-N 2.86Å
414	H	98.4	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.6	162.1	171.3	-107	0	0	0	107.8	L448 F452 I453 S454 T455 I493 Y540	H414-L448 HydrophobicContact CB-CD2 3.91Å; H414-F452 HydrophobicContact CB-CB 3.91Å; H414-F452 HydrophobicContact CB-CD1 4.15Å; H414-F452 HydrophobicContact CB-CG 4.06Å; H414-I453 PolarHBondContact N-O 3.44Å; H414-S454 CarbonylContact O-C 3.54Å; H414-S454 WeakPolarHBondContact O-CA 3.3Å; H414-T455 PolarHBondContact O-N 3.33Å; H414-I493 HydrophobicContact CB-CD1 4.33Å; H414-Y540 PolarHBondContact CE1-OH 3.15Å; H414-Y540 AromaticContact NE2-CZ 3.86Å; H414-Y540 PolarHBondContact NE2-OH 2.99Å
415	S	98.3	Very high	95.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.3	-173	-173.8	0	0	0	0	110	T455 H481 M492	S415-T455 WeakPolarHBondContact CA-O 3.16Å; S415-H481 PolarHBondContact OG-CD2 3.43Å; S415-H481 PolarHBondContact OG-NE2 3.3Å; S415-M492 PolarHBondContact N-O 3.23Å; S415-M492 PolarHBondContact O-N 3.11Å
416	I	98	Very high	95.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.2	172.5	-48.9	177.8	0	0	0	108.2	L418 L422 L439 T455 W456 S457 V489 M491	I416-L418 HydrophobicContact CB-CD1 4.05Å; I416-L418 HydrophobicContact CG2-CD1 3.59Å; I416-L418 HydrophobicContact CG2-CD2 4.08Å; I416-L418 HydrophobicContact CG2-CG 3.76Å; I416-L418 WeakPolarHBondContact O-CD1 3.41Å; I416-L422 HydrophobicContact CD1-CD2 3.8Å; I416-L439 HydrophobicContact CD1-CD1 3.69Å; I416-L439 HydrophobicContact CD1-CD2 4.11Å; I416-T455 PolarHBondContact N-O 3.24Å; I416-W456 HydrophobicContact CB-CB 3.98Å; I416-W456 CarbonylContact O-C 3.59Å; I416-W456 WeakPolarHBondContact O-CA 3.38Å; I416-W456 WeakPolarHBondContact O-CB 3.48Å; I416-S457 PolarHBondContact O-N 3.17Å; I416-V489 HydrophobicContact CG2-CG1 3.62Å; I416-M491 HydrophobicContact CG1-CG 4.48Å; I416-M491 HydrophobicContact CG2-CG 4.32Å
417	L	97.6	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.8	176.5	-178.6	56.8	0	0	0	109.3	S457 V459 L462 H481 Y485 V489 E490 M492	L417-S457 WeakPolarHBondContact CD1-O 3.34Å; L417-V459 HydrophobicContact CD1-CG2 4.02Å; L417-V459 HydrophobicContact CG-CG2 3.98Å; L417-L462 HydrophobicContact CD1-CD1 3.56Å; L417-L462 HydrophobicContact CD1-CG 4.01Å; L417-L462 HydrophobicContact CD2-CD1 4.06Å; L417-L462 HydrophobicContact CG-CD1 4.44Å; L417-H481 HydrophobicContact CD2-CB 4.2Å; L417-Y485 HydrophobicContact CB-CD2 4.21Å; L417-Y485 HydrophobicContact CD2-CD2 3.7Å; L417-Y485 HydrophobicContact CD2-CG 3.89Å; L417-Y485 HydrophobicContact CG-CD2 3.66Å; L417-Y485 HydrophobicContact CG-CE2 4.22Å; L417-Y485 HydrophobicContact CG-CG 4.31Å; L417-V489 WeakPolarHBondContact O-CA 3.23Å; L417-E490 PolarHBondContact N-O 3.4Å; L417-E490 PolarHBondContact O-N 3.48Å; L417-M492 HydrophobicContact CB-CE 3.4Å; L417-M492 HydrophobicContact CD2-CE 4.06Å; L417-M492 HydrophobicContact CG-CE 4.4Å
418	L	95.7	Very high	95	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.8	-172	-52.5	101.3	0	0	0	111.8	I416 G420 L422 W456 S457 L458 V459 V489	I416-L418 HydrophobicContact CB-CD1 4.05Å; I416-L418 HydrophobicContact CG2-CD1 3.59Å; I416-L418 HydrophobicContact CG2-CD2 4.08Å; I416-L418 HydrophobicContact CG2-CG 3.76Å; I416-L418 WeakPolarHBondContact O-CD1 3.41Å; L418-G420 WeakPolarHBondContact CB-O 3.41Å; L418-L422 HydrophobicContact CD1-CB 4.02Å; L418-L422 HydrophobicContact CD2-CB 4.08Å; L418-L422 HydrophobicContact CD2-CD1 3.82Å; L418-L422 HydrophobicContact CD2-CG 4.4Å; L418-W456 HydrophobicContact CD1-CB 3.94Å; L418-W456 HydrophobicContact CD1-CE3 3.98Å; L418-S457 PolarHBondContact N-O 2.88Å; L418-L458 CarbonylContact O-C 3.53Å; L418-L458 VanDerWaalsContact O-CA 3.28Å; L418-L458 WeakPolarHBondContact O-CA 3.49Å; L418-V459 WeakPolarHBondContact O-CG2 3.37Å; L418-V459 PolarHBondContact O-N 2.82Å; L418-V489 HydrophobicContact CB-CG2 4.32Å; L418-V489 HydrophobicContact CD2-CG1 4.03Å; L418-V489 HydrophobicContact CD2-CG2 3.7Å; L418-V489 HydrophobicContact CG-CG1 4.07Å; L418-V489 HydrophobicContact CG-CG2 4.06Å
419	W	93.1	Very high	94.5	Very high	30 Å²	30	18.7 Å²	18.7	11%	0.114	10%	0.097	C	C	.	.	S	Bend	trans	-73.7	-32.2	168.7	-177.6	61.2	0	0	0	113.3	T137 V323 D324 I325 U428 F487 P488	T137-W419 PolarHBondContact OG1-NE1 2.92Å; V323-W419 HydrophobicContact CB-CH2 4.22Å; V323-W419 HydrophobicContact CB-CZ3 4.31Å; V323-W419 HydrophobicContact CG2-CH2 3.9Å; V323-W419 HydrophobicContact CG2-CZ3 3.95Å; D324-W419 VanDerWaalsContact C-CH2 3.46Å; I325-W419 HydrophobicContact CB-CH2 4.3Å; I325-W419 HydrophobicContact CB-CZ2 4.2Å; I325-W419 HydrophobicContact CG2-CD2 4.15Å; I325-W419 HydrophobicContact CG2-CH2 4.37Å; I325-W419 HydrophobicContact CG2-CZ2 3.79Å; W419-C428 HydrophobicContact CE3-CB 4.16Å; W419-F487 HydrophobicContact CB-CE2 4.3Å; W419-F487 AromaticContact CD2-CE2 3.85Å; W419-F487 HydrophobicContact CD2-CE2 3.85Å; W419-F487 HydrophobicContact CE3-CE2 4.05Å; W419-F487 HydrophobicContact CE3-CZ 4.43Å; W419-F487 HydrophobicContact CG-CD2 4.46Å; W419-F487 AromaticContact CG-CE2 4Å; W419-F487 HydrophobicContact CG-CE2 4Å; W419-P488 PolarHBondContact N-O 2.89Å
420	G	92.9	Very high	94.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-130.1	160.5	177.3	0	0	0	0	0	112.5	L418 L422 S426	L418-G420 WeakPolarHBondContact CB-O 3.41Å; G420-L422 PolarHBondContact O-N 2.86Å; G420-S426 WeakPolarHBondContact CA-O 3.48Å
421	A	94.3	Very high	94	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.			trans	-65.8	132.3	-168.9	0	0	0	0	0	113.2	D423 D424 C427 W456 L458	A421-D423 VanDerWaalsContact C-N 3.29Å; A421-D423 PolarHBondContact O-N 3.08Å; A421-D424 WeakPolarHBondContact CB-OD1 3.4Å; A421-D424 VanDerWaalsContact CB-OD2 3.27Å; A421-D424 WeakPolarHBondContact CB-OD2 3.42Å; A421-C427 WeakPolarHBondContact O-CA 3.31Å; A421-C427 WeakPolarHBondContact O-CB 3.25Å; A421-C427 PolarHBondContact O-N 3.11Å; A421-C427 PolarHBondContact O-SG 3.44Å; A421-C427 VanDerWaalsContact O-SG 3.39Å; A421-W456 HydrophobicContact CB-CH2 4.29Å; A421-W456 HydrophobicContact CB-CZ3 4.34Å; A421-L458 HydrophobicContact CB-CD2 4.41Å
422	L	95	Very high	93.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24.7	-174.8	-174.5	57.7	0	0	0	113.5	F391 I416 L418 G420 R435 L439 W456	F391-L422 HydrophobicContact CD2-CD2 4.43Å; F391-L422 HydrophobicContact CE1-CG 4.27Å; F391-L422 HydrophobicContact CE2-CD2 3.7Å; F391-L422 HydrophobicContact CE2-CG 3.95Å; F391-L422 HydrophobicContact CZ-CB 4.32Å; F391-L422 HydrophobicContact CZ-CD2 3.94Å; F391-L422 HydrophobicContact CZ-CG 3.63Å; I416-L422 HydrophobicContact CD1-CD2 3.8Å; L418-L422 HydrophobicContact CD1-CB 4.02Å; L418-L422 HydrophobicContact CD2-CB 4.08Å; L418-L422 HydrophobicContact CD2-CD1 3.82Å; L418-L422 HydrophobicContact CD2-CG 4.4Å; G420-L422 PolarHBondContact O-N 2.86Å; L422-R435 HydrophobicContact CD1-CB 4.07Å; L422-R435 WeakPolarHBondContact O-CD 3.3Å; L422-R435 PolarHBondContact O-NH1 2.63Å; L422-L439 HydrophobicContact CD1-CD1 4.42Å; L422-L439 HydrophobicContact CD2-CD1 4Å; L422-W456 HydrophobicContact CB-CD2 3.92Å; L422-W456 HydrophobicContact CB-CE3 4.16Å; L422-W456 HydrophobicContact CB-CG 4.12Å; L422-W456 HydrophobicContact CD2-CB 4.19Å; L422-W456 HydrophobicContact CD2-CG 4.11Å
423	D	94.4	Very high	93.2	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.021	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	18	-169.4	61.7	-11.4	0	0	0	114	R257 R303 Y389 F391 K392 A421 W456	R257-D423 PolarHBondContact NH1-O 2.96Å; R257-D423 PolarHBondContact NH2-O 2.95Å; R303-D423 IonicContact CZ-OD1 3.52Å; R303-D423 VanDerWaalsContact CZ-OD1 3.29Å; R303-D423 IonicContact CZ-OD2 2.65Å; R303-D423 IonicContact NH1-OD1 2.63Å; R303-D423 PolarHBondContact NH1-OD1 3.12Å; R303-D423 IonicContact NH1-OD2 3.8Å; R303-D423 VanDerWaalsContact NH2-CG 3.35Å; R303-D423 IonicContact NH2-OD1 3.61Å; R303-D423 PolarHBondContact NH2-OD1 2.92Å; R303-D423 IonicContact NH2-OD2 2.71Å; R303-D423 PolarHBondContact NH2-OD2 2.79Å; Y389-D423 WeakPolarHBondContact CD2-O 3.3Å; Y389-D423 WeakPolarHBondContact CE2-O 3.35Å; F391-D423 HydrophobicContact CZ-CB 4.05Å; K392-D423 WeakPolarHBondContact CE-OD2 3.37Å; K392-D423 IonicContact NZ-OD2 2.76Å; K392-D423 PolarHBondContact NZ-OD2 3.12Å; A421-D423 VanDerWaalsContact C-N 3.29Å; A421-D423 PolarHBondContact O-N 3.08Å; D423-W456 WeakPolarHBondContact OD1-CZ2 3.47Å; D423-W456 WeakPolarHBondContact OD2-CZ2 3Å
424	D	94.5	Very high	92.9	Very high	9 Å²	9	7.1 Å²	7.1	5%	0.048	5%	0.049	C	C	.	.	S	Bend	trans	-148.5	177.6	175	75.2	37.9	0	0	0	112.5	G277 R303 Y389 A421 S426 C427 R435	G277-D424 WeakPolarHBondContact CA-OD1 3.41Å; G277-D424 WeakPolarHBondContact O-CB 3.28Å; R303-D424 IonicContact NH1-OD2 3.91Å; R303-D424 PolarHBondContact NH1-OD2 3.14Å; Y389-D424 WeakPolarHBondContact OH-CA 3.23Å; A421-D424 WeakPolarHBondContact CB-OD1 3.4Å; A421-D424 VanDerWaalsContact CB-OD2 3.27Å; A421-D424 WeakPolarHBondContact CB-OD2 3.42Å; D424-S426 PolarHBondContact O-N 2.9Å; D424-S426 WeakPolarHBondContact OD1-CA 3.43Å; D424-S426 VanDerWaalsContact OD1-CB 3.23Å; D424-S426 WeakPolarHBondContact OD1-CB 3.37Å; D424-S426 PolarHBondContact OD1-N 3.11Å; D424-S426 PolarHBondContact OD1-OG 3.41Å; D424-C427 WeakPolarHBondContact O-CB 2.95Å; D424-C427 PolarHBondContact O-N 2.96Å; D424-R435 PolarHBondContact O-NH1 3.37Å; D424-R435 PolarHBondContact O-NH2 3.3Å
425	Q	93.6	Very high	92.5	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.2	-176.9	-67.6	-62.8	-52.4	0	0	114.1	T233 A236 P237 H259 G277 Y389 C427 R432	T233-Q425 HydrophobicContact CG2-CG 4.45Å; A236-Q425 PolarHBondContact O-NE2 2.91Å; P237-Q425 PolarHBondContact O-NE2 2.94Å; H259-Q425 HydrophobicContact CB-CG 3.81Å; H259-Q425 VanDerWaalsContact CG-CG 3.48Å; H259-Q425 PolarHBondContact ND1-NE2 2.65Å; G277-Q425 WeakPolarHBondContact O-CB 3.28Å; G277-Q425 PolarHBondContact O-N 2.83Å; Y389-Q425 PolarHBondContact OH-NE2 3.09Å; Q425-C427 PolarHBondContact O-N 3.05Å; Q425-R432 PolarHBondContact O-NH2 2.95Å
426	S	92.3	Very high	91.9	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	2.1	172.8	76.4	0	0	0	0	113.7	G420 D424	G420-S426 WeakPolarHBondContact CA-O 3.48Å; D424-S426 PolarHBondContact O-N 2.9Å; D424-S426 WeakPolarHBondContact OD1-CA 3.43Å; D424-S426 VanDerWaalsContact OD1-CB 3.23Å; D424-S426 WeakPolarHBondContact OD1-CB 3.37Å; D424-S426 PolarHBondContact OD1-N 3.11Å; D424-S426 PolarHBondContact OD1-OG 3.41Å
427	C	90.6	Very high	91.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.064	C	C	.	.			trans	-64.3	140.3	178.4	-159.7	0	0	0	0	112.7	A421 D424 Q425 R432	A421-C427 WeakPolarHBondContact O-CA 3.31Å; A421-C427 WeakPolarHBondContact O-CB 3.25Å; A421-C427 PolarHBondContact O-N 3.11Å; A421-C427 PolarHBondContact O-SG 3.44Å; A421-C427 VanDerWaalsContact O-SG 3.39Å; D424-C427 WeakPolarHBondContact O-CB 2.95Å; D424-C427 PolarHBondContact O-N 2.96Å; Q425-C427 PolarHBondContact O-N 3.05Å; C427-R432 HydrophobicContact CB-CG 3.83Å; C427-R432 PolarHBondContact O-NE 2.92Å; C427-R432 PolarHBondContact O-NH2 2.88Å; C427-R432 VanDerWaalsContact O-NH2 3.16Å
428	U	87.6	Confident	90.9	Very high	8 Å²	8	9.9 Å²	9.9	5%	0.054	6%	0.064	C	C	.	.			trans	-69.3	157.2	171.9	59.8	0	0	0	0	112.5	W419 S430 G431 R432 P488 V489	W419-C428 HydrophobicContact CE3-CB 4.16Å; C428-S430 PolarHBondContact O-N 2.93Å; C428-G431 CarbonylContact O-C 3.56Å; C428-G431 WeakPolarHBondContact O-CA 3.48Å; C428-G431 PolarHBondContact O-N 3.43Å; C428-R432 PolarHBondContact O-N 3.32Å; C428-P488 HydrophobicContact CB-CB 4.14Å; C428-V489 WeakPolarHBondContact SG-CG2 3.37Å
429	G	85.9	Confident	90.8	Very high	47 Å²	47	9.9 Å²	9.9	49%	0.485	6%	0.064	S	C	.	.	H	α-helix	trans	-54.4	-43.9	-172.5	0	0	0	0	0	115.5	R432 T433	G429-R432 WeakPolarHBondContact O-CB 3.29Å; G429-R432 PolarHBondContact O-N 2.94Å; G429-T433 PolarHBondContact O-N 2.76Å; G429-T433 PolarHBondContact O-OG1 2.89Å
430	S	88	Confident	90.7	Very high	10 Å²	10	12 Å²	12	7%	0.07	8%	0.075	C	C	.	.	H	α-helix	trans	-72.4	-30.4	177	59.9	0	0	0	0	112.6	U428 T433 L434 P488	C428-S430 PolarHBondContact O-N 2.93Å; S430-T433 PolarHBondContact O-N 2.79Å; S430-L434 WeakPolarHBondContact O-CG 3.37Å; S430-L434 PolarHBondContact O-N 3.1Å; S430-P488 WeakPolarHBondContact OG-CG 3.26Å
431	G	91.6	Very high	90.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-42.2	169.9	0	0	0	0	0	112.5	U428 T433 L434 R435	C428-G431 CarbonylContact O-C 3.56Å; C428-G431 WeakPolarHBondContact O-CA 3.48Å; C428-G431 PolarHBondContact O-N 3.43Å; G431-T433 VanDerWaalsContact C-N 3.33Å; G431-T433 PolarHBondContact O-N 3.46Å; G431-L434 PolarHBondContact O-N 3.13Å; G431-R435 PolarHBondContact O-N 2.88Å; G431-R435 VanDerWaalsContact O-N 3.09Å
432	R	90.3	Very high	90.6	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-45.5	171.9	-64.5	-179.6	-176.2	147.7	3.7	110.8	D308 E310 Q425 C427 U428 G429 L434 R435 E436	D308-R432 IonicContact OD2-CZ 3.47Å; D308-R432 IonicContact OD2-NH2 3.26Å; D308-R432 PolarHBondContact OD2-NH2 2.87Å; E310-R432 IonicContact OE1-CZ 2.88Å; E310-R432 IonicContact OE1-NH1 3.53Å; E310-R432 PolarHBondContact OE1-NH1 2.81Å; E310-R432 IonicContact OE1-NH2 3.15Å; Q425-R432 PolarHBondContact O-NH2 2.95Å; C427-R432 HydrophobicContact CB-CG 3.83Å; C427-R432 PolarHBondContact O-NE 2.92Å; C427-R432 PolarHBondContact O-NH2 2.88Å; C427-R432 VanDerWaalsContact O-NH2 3.16Å; C428-R432 PolarHBondContact O-N 3.32Å; G429-R432 WeakPolarHBondContact O-CB 3.29Å; G429-R432 PolarHBondContact O-N 2.94Å; R432-L434 PolarHBondContact O-N 2.84Å; R432-R435 VanDerWaalsContact O-CG 3.23Å; R432-R435 WeakPolarHBondContact O-CG 3.44Å; R432-R435 PolarHBondContact O-N 3.41Å; R432-E436 WeakPolarHBondContact O-CB 3.43Å; R432-E436 VanDerWaalsContact O-CG 3.31Å; R432-E436 WeakPolarHBondContact O-CG 3.39Å; R432-E436 PolarHBondContact O-N 3.46Å; R432-E436 VanDerWaalsContact O-N 3.14Å
433	T	87.7	Confident	90.6	Very high	34 Å²	34	19.2 Å²	19.2	21%	0.209	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-44.9	177.7	-51.6	0	0	0	0	111.5	G429 S430 G431 R435 E436 T437 L510	G429-T433 PolarHBondContact O-N 2.76Å; G429-T433 PolarHBondContact O-OG1 2.89Å; S430-T433 PolarHBondContact O-N 2.79Å; G431-T433 VanDerWaalsContact C-N 3.33Å; G431-T433 PolarHBondContact O-N 3.46Å; T433-R435 PolarHBondContact O-N 2.71Å; T433-E436 PolarHBondContact O-N 2.82Å; T433-T437 HydrophobicContact CG2-CG2 4.35Å; T433-T437 WeakPolarHBondContact O-CB 3.36Å; T433-T437 WeakPolarHBondContact O-CG2 3.24Å; T433-T437 PolarHBondContact O-N 3.35Å; T433-T437 VanDerWaalsContact O-N 3.11Å; T433-T437 PolarHBondContact O-OG1 3.22Å; T433-L510 HydrophobicContact CG2-CD1 4.17Å; T433-L510 HydrophobicContact CG2-CD2 3.52Å
434	L	90.8	Very high	90.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-44	179.6	-73.7	172.7	0	0	0	112.8	S430 G431 R432 V438 L439 V489 M491 A506 F509 Y540	S430-L434 WeakPolarHBondContact O-CG 3.37Å; S430-L434 PolarHBondContact O-N 3.1Å; G431-L434 PolarHBondContact O-N 3.13Å; R432-L434 PolarHBondContact O-N 2.84Å; L434-V438 HydrophobicContact CB-CG2 4.43Å; L434-V438 HydrophobicContact CD2-CG2 3.67Å; L434-V438 WeakPolarHBondContact O-CG2 3.48Å; L434-V438 PolarHBondContact O-N 3.34Å; L434-L439 HydrophobicContact CB-CD1 4.16Å; L434-L439 HydrophobicContact CB-CG 4.4Å; L434-L439 WeakPolarHBondContact O-CG 3.42Å; L434-L439 PolarHBondContact O-N 3.49Å; L434-V489 HydrophobicContact CD1-CG1 3.83Å; L434-M491 HydrophobicContact CD1-CE 4.15Å; L434-M491 HydrophobicContact CD1-CG 4.23Å; L434-M491 HydrophobicContact CD1-SD 3.66Å; L434-M491 HydrophobicContact CD2-CE 4.26Å; L434-M491 HydrophobicContact CD2-SD 3.75Å; L434-M491 HydrophobicContact CG-SD 4.38Å; L434-A506 HydrophobicContact CD1-CB 3.91Å; L434-F509 HydrophobicContact CD2-CD1 3.91Å; L434-F509 HydrophobicContact CD2-CE1 3.87Å; L434-Y540 HydrophobicContact CD2-CE2 4.3Å
435	R	90.9	Very high	90.7	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-72.9	-28.3	-178.4	70.7	-175.2	-175	-173.4	0.8	113.9	A236 Y389 F391 L422 D424 G431 R432 T433 L439	A236-R435 PolarHBondContact O-NH2 2.97Å; Y389-R435 VanDerWaalsContact CE1-NH1 3.28Å; F391-R435 HydrophobicContact CD1-CB 3.75Å; F391-R435 HydrophobicContact CE1-CB 3.98Å; F391-R435 HydrophobicContact CG-CB 4.42Å; L422-R435 HydrophobicContact CD1-CB 4.07Å; L422-R435 WeakPolarHBondContact O-CD 3.3Å; L422-R435 PolarHBondContact O-NH1 2.63Å; D424-R435 PolarHBondContact O-NH1 3.37Å; D424-R435 PolarHBondContact O-NH2 3.3Å; G431-R435 PolarHBondContact O-N 2.88Å; G431-R435 VanDerWaalsContact O-N 3.09Å; R432-R435 VanDerWaalsContact O-CG 3.23Å; R432-R435 WeakPolarHBondContact O-CG 3.44Å; R432-R435 PolarHBondContact O-N 3.41Å; T433-R435 PolarHBondContact O-N 2.71Å; R435-L439 HydrophobicContact CB-CD1 4.48Å
436	E	84.8	Confident	90.9	Very high	21 Å²	21	22.7 Å²	22.7	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-86.2	-12.3	178.8	-70.4	173.8	-173.2	0	0	113.2	V196 A236 R432 T433	V196-E436 WeakPolarHBondContact CG2-O 3.49Å; A236-E436 VanDerWaalsContact C-OE1 3.29Å; A236-E436 WeakPolarHBondContact CB-OE1 3.36Å; A236-E436 VanDerWaalsContact O-OE1 3.06Å; R432-E436 WeakPolarHBondContact O-CB 3.43Å; R432-E436 VanDerWaalsContact O-CG 3.31Å; R432-E436 WeakPolarHBondContact O-CG 3.39Å; R432-E436 PolarHBondContact O-N 3.46Å; R432-E436 VanDerWaalsContact O-N 3.14Å; T433-E436 PolarHBondContact O-N 2.82Å
437	T	85.2	Confident	91.1	Very high	34 Å²	34	23.8 Å²	23.8	21%	0.209	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-82.6	-177.5	58.3	0	0	0	0	111	T433	T433-T437 HydrophobicContact CG2-CG2 4.35Å; T433-T437 WeakPolarHBondContact O-CB 3.36Å; T433-T437 WeakPolarHBondContact O-CG2 3.24Å; T433-T437 PolarHBondContact O-N 3.35Å; T433-T437 VanDerWaalsContact O-N 3.11Å; T433-T437 PolarHBondContact O-OG1 3.22Å
438	V	90.7	Very high	91.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-37.9	-166.3	-61.4	0	0	0	0	112.9	L434 E440 S441 I444 F509 Y540	L434-V438 HydrophobicContact CB-CG2 4.43Å; L434-V438 HydrophobicContact CD2-CG2 3.67Å; L434-V438 WeakPolarHBondContact O-CG2 3.48Å; L434-V438 PolarHBondContact O-N 3.34Å; V438-E440 VanDerWaalsContact C-N 3.31Å; V438-E440 PolarHBondContact O-N 3.17Å; V438-S441 WeakPolarHBondContact O-CB 3.37Å; V438-S441 PolarHBondContact O-N 3.22Å; V438-I444 VanDerWaalsContact O-CB 3.29Å; V438-I444 WeakPolarHBondContact O-CB 3.49Å; V438-I444 WeakPolarHBondContact O-CG1 3.36Å; V438-F509 HydrophobicContact CG1-CE1 4.24Å; V438-F509 HydrophobicContact CG1-CZ 3.9Å; V438-Y540 HydrophobicContact CB-CD2 3.99Å; V438-Y540 HydrophobicContact CB-CG 3.94Å; V438-Y540 HydrophobicContact CG1-CD2 4.47Å; V438-Y540 HydrophobicContact CG1-CG 4.47Å; V438-Y540 HydrophobicContact CG2-CD2 3.48Å; V438-Y540 VanDerWaalsContact CG2-CD2 3.48Å; V438-Y540 HydrophobicContact CG2-CE2 3.75Å; V438-Y540 HydrophobicContact CG2-CG 3.94Å
439	L	93.4	Very high	91.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.1	-174.1	-58.5	176.9	0	0	0	113.2	F391 I416 L422 L434 R435 L445 Y540	F391-L439 HydrophobicContact CB-CB 3.61Å; F391-L439 WeakPolarHBondContact CB-O 3.08Å; F391-L439 HydrophobicContact CD2-CD1 4.48Å; F391-L439 HydrophobicContact CG-CB 4.26Å; I416-L439 HydrophobicContact CD1-CD1 3.69Å; I416-L439 HydrophobicContact CD1-CD2 4.11Å; L422-L439 HydrophobicContact CD1-CD1 4.42Å; L422-L439 HydrophobicContact CD2-CD1 4Å; L434-L439 HydrophobicContact CB-CD1 4.16Å; L434-L439 HydrophobicContact CB-CG 4.4Å; L434-L439 WeakPolarHBondContact O-CG 3.42Å; L434-L439 PolarHBondContact O-N 3.49Å; R435-L439 HydrophobicContact CB-CD1 4.48Å; L439-L445 WeakPolarHBondContact O-CD2 3.46Å; L439-Y540 HydrophobicContact CD2-CE1 4.09Å; L439-Y540 HydrophobicContact CD2-CE2 4.27Å; L439-Y540 WeakPolarHBondContact CD2-OH 3.38Å
440	E	91	Very high	92.3	Very high	73 Å²	73	31.4 Å²	31.4	34%	0.341	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.9	172.5	63.5	169.8	-143	0	0	114.1	P390 V438 L445	P390-E440 HydrophobicContact CB-CB 3.99Å; V438-E440 VanDerWaalsContact C-N 3.31Å; V438-E440 PolarHBondContact O-N 3.17Å; E440-L445 WeakPolarHBondContact O-CD1 3.44Å
441	S	92.1	Very high	92.7	Very high	15 Å²	15	32.6 Å²	32.6	11%	0.105	18%	0.183	C	C	.	.			trans	-63.8	125.7	179.6	-178.2	0	0	0	0	111.3	V438 P443 I444 L445 T537	V438-S441 WeakPolarHBondContact O-CB 3.37Å; V438-S441 PolarHBondContact O-N 3.22Å; S441-P443 WeakPolarHBondContact OG-CD 3.38Å; S441-P443 WeakPolarHBondContact OG-CG 3.02Å; S441-I444 WeakPolarHBondContact O-CB 3.4Å; S441-I444 PolarHBondContact O-N 3.48Å; S441-L445 WeakPolarHBondContact O-CG 3.29Å; S441-L445 PolarHBondContact O-N 3.22Å; S441-T537 WeakPolarHBondContact OG-CG2 3.44Å
442	P	93	Very high	93	Very high	93 Å²	93	33 Å²	33	60%	0.604	18%	0.184	S	C	*	.	H	α-helix	trans	-50.4	-44.7	-179.1	-27.9	34.6	0	0	0	116.2	L445 T446	P442-L445 PolarHBondContact O-N 2.91Å; P442-T446 WeakPolarHBondContact O-CB 3.29Å; P442-T446 PolarHBondContact O-N 2.89Å; P442-T446 PolarHBondContact O-OG1 3.02Å
443	P	94.2	Very high	93.4	Very high	45 Å²	45	33.2 Å²	33.2	29%	0.292	19%	0.186	S	C	.	.	H	α-helix	trans	-64	-37.4	175.5	23.4	-34.7	0	0	0	113.1	S441 T446 L447 T537 M541	S441-P443 WeakPolarHBondContact OG-CD 3.38Å; S441-P443 WeakPolarHBondContact OG-CG 3.02Å; P443-T446 PolarHBondContact O-N 2.76Å; P443-L447 WeakPolarHBondContact O-CB 3.32Å; P443-L447 PolarHBondContact O-N 3.14Å; P443-T537 HydrophobicContact CG-CG2 4.04Å; P443-M541 HydrophobicContact CB-SD 4.44Å
444	I	95.7	Very high	93.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-50.1	175.7	-60	-47.3	0	0	0	110.2	V438 S441 T446 L447 L448 T537 Y540 M541 L544	V438-I444 VanDerWaalsContact O-CB 3.29Å; V438-I444 WeakPolarHBondContact O-CB 3.49Å; V438-I444 WeakPolarHBondContact O-CG1 3.36Å; S441-I444 WeakPolarHBondContact O-CB 3.4Å; S441-I444 PolarHBondContact O-N 3.48Å; I444-T446 VanDerWaalsContact C-N 3.25Å; I444-T446 PolarHBondContact O-N 3.32Å; I444-L447 PolarHBondContact O-N 3.43Å; I444-L448 HydrophobicContact CG2-CD1 3.71Å; I444-L448 HydrophobicContact CG2-CG 4.08Å; I444-L448 WeakPolarHBondContact O-CB 3.32Å; I444-L448 WeakPolarHBondContact O-CG 3.39Å; I444-L448 PolarHBondContact O-N 2.83Å; I444-T537 HydrophobicContact CG1-CG2 4.43Å; I444-Y540 HydrophobicContact CD1-CD1 3.76Å; I444-Y540 HydrophobicContact CD1-CG 4.41Å; I444-Y540 HydrophobicContact CG1-CD1 4.16Å; I444-Y540 HydrophobicContact CG2-CD1 3.95Å; I444-Y540 HydrophobicContact CG2-CE1 3.95Å; I444-M541 HydrophobicContact CD1-CB 4.27Å; I444-M541 HydrophobicContact CD1-CG 3.37Å; I444-M541 HydrophobicContact CD1-SD 3.29Å; I444-M541 WeakPolarHBondContact CD1-SD 3.11Å; I444-L544 HydrophobicContact CD1-CD1 4.29Å; I444-L544 HydrophobicContact CG2-CD1 4.2Å
445	L	95.9	Very high	94.3	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-55	-42.7	178.4	-70.2	175.4	0	0	0	112	K393 V394 L439 E440 S441 P442 N449	K393-L445 HydrophobicContact CB-CD2 4.3Å; K393-L445 HydrophobicContact CD-CD1 4.11Å; V394-L445 HydrophobicContact CG2-CD2 3.69Å; L439-L445 WeakPolarHBondContact O-CD2 3.46Å; E440-L445 WeakPolarHBondContact O-CD1 3.44Å; S441-L445 WeakPolarHBondContact O-CG 3.29Å; S441-L445 PolarHBondContact O-N 3.22Å; P442-L445 PolarHBondContact O-N 2.91Å; L445-N449 WeakPolarHBondContact O-CB 3.3Å; L445-N449 PolarHBondContact O-N 3.15Å; L445-N449 PolarHBondContact O-ND2 3.4Å
446	T	96.4	Very high	94.6	Very high	72 Å²	72	32.9 Å²	32.9	44%	0.442	18%	0.181	S	C	.	.	H	α-helix	trans	-63.9	-51.7	178.5	-56.3	0	0	0	0	110.4	P442 P443 I444 L448 N449 E450	P442-T446 WeakPolarHBondContact O-CB 3.29Å; P442-T446 PolarHBondContact O-N 2.89Å; P442-T446 PolarHBondContact O-OG1 3.02Å; P443-T446 PolarHBondContact O-N 2.76Å; I444-T446 VanDerWaalsContact C-N 3.25Å; I444-T446 PolarHBondContact O-N 3.32Å; T446-L448 PolarHBondContact O-N 2.78Å; T446-N449 PolarHBondContact O-N 3.35Å; T446-E450 WeakPolarHBondContact CG2-OE1 3.08Å; T446-E450 WeakPolarHBondContact O-CG 3.29Å; T446-E450 PolarHBondContact O-N 2.8Å
447	L	96.7	Very high	95.1	Very high	23 Å²	23	32 Å²	32	12%	0.12	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-41.4	-178.3	-177.8	60.4	0	0	0	112.6	P443 I444 E450 S451 F452 M541 L544 L548	P443-L447 WeakPolarHBondContact O-CB 3.32Å; P443-L447 PolarHBondContact O-N 3.14Å; I444-L447 PolarHBondContact O-N 3.43Å; L447-E450 PolarHBondContact O-N 2.88Å; L447-S451 WeakPolarHBondContact O-CB 3.29Å; L447-S451 PolarHBondContact O-N 2.91Å; L447-F452 HydrophobicContact CG-CE2 4.32Å; L447-M541 HydrophobicContact CB-SD 4.46Å; L447-M541 HydrophobicContact CD2-CE 3.8Å; L447-M541 HydrophobicContact CD2-SD 3.78Å; L447-L544 HydrophobicContact CD2-CB 3.68Å; L447-L544 HydrophobicContact CD2-CD1 3.79Å; L447-L544 HydrophobicContact CD2-CG 4.41Å; L447-L544 HydrophobicContact CG-CD1 4.31Å; L447-L548 HydrophobicContact CD1-CD1 4.13Å
448	L	97.7	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-46.8	177.5	-73.1	178.3	0	0	0	111.9	V394 H414 I444 T446 E450 F452 L544	V394-L448 HydrophobicContact CG1-CB 4.18Å; V394-L448 HydrophobicContact CG2-CB 3.71Å; V394-L448 HydrophobicContact CG2-CD1 4.08Å; H414-L448 HydrophobicContact CB-CD2 3.91Å; I444-L448 HydrophobicContact CG2-CD1 3.71Å; I444-L448 HydrophobicContact CG2-CG 4.08Å; I444-L448 WeakPolarHBondContact O-CB 3.32Å; I444-L448 WeakPolarHBondContact O-CG 3.39Å; I444-L448 PolarHBondContact O-N 2.83Å; T446-L448 PolarHBondContact O-N 2.78Å; L448-E450 PolarHBondContact O-N 2.96Å; L448-F452 HydrophobicContact CD2-CD2 4.05Å; L448-F452 HydrophobicContact CD2-CG 4.5Å; L448-F452 PolarHBondContact O-N 3.42Å; L448-F452 VanDerWaalsContact O-N 3.14Å; L448-L544 HydrophobicContact CD2-CD1 3.98Å; L448-L544 HydrophobicContact CD2-CD2 3.98Å; L448-L544 HydrophobicContact CG-CD1 4.23Å
449	N	96.6	Very high	95.8	Very high	81 Å²	81	31 Å²	31	43%	0.433	17%	0.171	S	C	.	.	H	α-helix	trans	-66.6	-35.4	179.4	-81	-58	0	0	0	113.3	L445 T446	L445-N449 WeakPolarHBondContact O-CB 3.3Å; L445-N449 PolarHBondContact O-N 3.15Å; L445-N449 PolarHBondContact O-ND2 3.4Å; T446-N449 PolarHBondContact O-N 3.35Å
450	E	96.2	Very high	95.8	Very high	135 Å²	135	34.7 Å²	34.7	63%	0.631	19%	0.188	S	C	*	.	H	α-helix	trans	-78.6	-41	-177.5	-71.3	177.3	173.9	0	0	112.5	T446 L447 L448	T446-E450 WeakPolarHBondContact CG2-OE1 3.08Å; T446-E450 WeakPolarHBondContact O-CG 3.29Å; T446-E450 PolarHBondContact O-N 2.8Å; L447-E450 PolarHBondContact O-N 2.88Å; L448-E450 PolarHBondContact O-N 2.96Å
451	S	96.5	Very high	95.9	Very high	35 Å²	35	34.3 Å²	34.3	25%	0.245	19%	0.186	C	C	.	.	H	α-helix	trans	-110.7	-16.4	-163.1	-60.7	0	0	0	0	115.2	L447	L447-S451 WeakPolarHBondContact O-CB 3.29Å; L447-S451 PolarHBondContact O-N 2.91Å
452	F	98.2	Very high	96	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.2	-170.9	-60.8	-85.4	0	0	0	112.9	L412 H414 L447 L448 I493 L544 L548	L412-F452 HydrophobicContact CB-CD1 3.81Å; L412-F452 HydrophobicContact CB-CE1 3.97Å; L412-F452 HydrophobicContact CD1-CE1 4.23Å; L412-F452 WeakPolarHBondContact O-CA 3.38Å; H414-F452 HydrophobicContact CB-CB 3.91Å; H414-F452 HydrophobicContact CB-CD1 4.15Å; H414-F452 HydrophobicContact CB-CG 4.06Å; L447-F452 HydrophobicContact CG-CE2 4.32Å; L448-F452 HydrophobicContact CD2-CD2 4.05Å; L448-F452 HydrophobicContact CD2-CG 4.5Å; L448-F452 PolarHBondContact O-N 3.42Å; L448-F452 VanDerWaalsContact O-N 3.14Å; F452-I493 HydrophobicContact CD1-CD1 4.38Å; F452-I493 HydrophobicContact CE1-CD1 3.79Å; F452-I493 HydrophobicContact CE1-CG2 3.87Å; F452-I493 HydrophobicContact CZ-CD1 4.17Å; F452-L544 HydrophobicContact CE2-CB 4.29Å; F452-L544 HydrophobicContact CE2-CD2 4.25Å; F452-L544 HydrophobicContact CZ-CB 4.37Å; F452-L544 HydrophobicContact CZ-CD2 4.32Å; F452-L548 HydrophobicContact CE1-CD2 4.06Å; F452-L548 HydrophobicContact CE1-CG 4.25Å; F452-L548 HydrophobicContact CE2-CD1 4.14Å; F452-L548 HydrophobicContact CE2-CD2 4.27Å; F452-L548 HydrophobicContact CE2-CG 4.15Å; F452-L548 HydrophobicContact CZ-CD1 4.06Å; F452-L548 HydrophobicContact CZ-CD2 3.78Å; F452-L548 HydrophobicContact CZ-CG 3.58Å
453	I	98.4	Very high	96	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.1	153.6	-56.1	-55.1	0	0	0	106.9	L397 A402 R405 A406 K411 L412 V413 H414	L397-I453 HydrophobicContact CD1-CG2 3.92Å; A402-I453 HydrophobicContact CB-CG2 4.01Å; A402-I453 WeakPolarHBondContact O-CG2 3.44Å; R405-I453 HydrophobicContact CB-CG2 4.44Å; R405-I453 HydrophobicContact CG-CD1 3.99Å; R405-I453 HydrophobicContact CG-CG1 4.4Å; A406-I453 HydrophobicContact CB-CB 4.31Å; A406-I453 HydrophobicContact CB-CG1 4.05Å; K411-I453 HydrophobicContact CB-CG1 4.09Å; K411-I453 HydrophobicContact CD-CD1 4.06Å; K411-I453 HydrophobicContact CD-CG1 4.43Å; L412-I453 PolarHBondContact O-N 3.22Å; V413-I453 CarbonylContact C-O 3.59Å; V413-I453 WeakPolarHBondContact CA-O 3.29Å; H414-I453 PolarHBondContact N-O 3.44Å
454	S	98.4	Very high	95.9	Very high	3 Å²	3	33 Å²	33	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.3	-174	-57.8	0	0	0	0	111.5	V394 Y396 L397 H414	V394-S454 WeakPolarHBondContact CG1-OG 3.32Å; Y396-S454 WeakPolarHBondContact CA-O 3.5Å; L397-S454 PolarHBondContact N-O 2.97Å; H414-S454 CarbonylContact O-C 3.54Å; H414-S454 WeakPolarHBondContact O-CA 3.3Å
455	T	98.2	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.6	174	-176	0	0	0	0	110	L397 F399 A402 V413 H414 S415 I416	L397-T455 WeakPolarHBondContact O-CB 3.28Å; L397-T455 PolarHBondContact O-OG1 2.97Å; F399-T455 WeakPolarHBondContact CA-OG1 3.47Å; F399-T455 HydrophobicContact CD2-CG2 4.47Å; A402-T455 HydrophobicContact CB-CG2 4.01Å; V413-T455 HydrophobicContact CG1-CG2 3.72Å; H414-T455 PolarHBondContact O-N 3.33Å; S415-T455 WeakPolarHBondContact CA-O 3.16Å; I416-T455 PolarHBondContact N-O 3.24Å
456	W	97	Very high	95.4	Very high	27 Å²	27	37.7 Å²	37.7	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.2	161.6	67.8	-91.6	0	0	0	108.5	Y396 I416 L418 A421 L422 D423 L458	Y396-W456 AromaticContact CD1-CD1 3.74Å; Y396-W456 AromaticContact CG-CD1 3.8Å; I416-W456 HydrophobicContact CB-CB 3.98Å; I416-W456 CarbonylContact O-C 3.59Å; I416-W456 WeakPolarHBondContact O-CA 3.38Å; I416-W456 WeakPolarHBondContact O-CB 3.48Å; L418-W456 HydrophobicContact CD1-CB 3.94Å; L418-W456 HydrophobicContact CD1-CE3 3.98Å; A421-W456 HydrophobicContact CB-CH2 4.29Å; A421-W456 HydrophobicContact CB-CZ3 4.34Å; L422-W456 HydrophobicContact CB-CD2 3.92Å; L422-W456 HydrophobicContact CB-CE3 4.16Å; L422-W456 HydrophobicContact CB-CG 4.12Å; L422-W456 HydrophobicContact CD2-CB 4.19Å; L422-W456 HydrophobicContact CD2-CG 4.11Å; D423-W456 WeakPolarHBondContact OD1-CZ2 3.47Å; D423-W456 WeakPolarHBondContact OD2-CZ2 3Å; W456-L458 HydrophobicContact CZ3-CD2 4.13Å; W456-L458 HydrophobicContact CZ3-CG 4.33Å
457	S	96.1	Very high	95	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.6	-176.3	-51.6	0	0	0	0	111.3	F399 I416 L417 L418	F399-S457 WeakPolarHBondContact CB-OG 3.28Å; F399-S457 VanDerWaalsContact CD2-OG 3.32Å; F399-S457 WeakPolarHBondContact CD2-OG 3.27Å; I416-S457 PolarHBondContact O-N 3.17Å; L417-S457 WeakPolarHBondContact CD1-O 3.34Å; L418-S457 PolarHBondContact N-O 2.88Å
458	L	95.2	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	143.2	171.6	-57.5	-178.4	0	0	0	110.8	L418 A421 W456 K460 E461 L462	L418-L458 CarbonylContact O-C 3.53Å; L418-L458 VanDerWaalsContact O-CA 3.28Å; L418-L458 WeakPolarHBondContact O-CA 3.49Å; A421-L458 HydrophobicContact CB-CD2 4.41Å; W456-L458 HydrophobicContact CZ3-CD2 4.13Å; W456-L458 HydrophobicContact CZ3-CG 4.33Å; L458-K460 PolarHBondContact O-N 3.39Å; L458-E461 HydrophobicContact CB-CB 4.23Å; L458-E461 HydrophobicContact CB-CG 3.88Å; L458-E461 HydrophobicContact CD1-CG 4.4Å; L458-E461 HydrophobicContact CG-CG 4.39Å; L458-E461 PolarHBondContact N-OE2 2.95Å; L458-E461 WeakPolarHBondContact O-CB 3.24Å; L458-E461 PolarHBondContact O-N 3.26Å; L458-E461 VanDerWaalsContact O-N 3.1Å; L458-L462 PolarHBondContact O-N 3.2Å; L458-L462 VanDerWaalsContact O-N 3.1Å
459	V	95.1	Very high	92.9	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-52.4	-44.3	170.6	175.1	0	0	0	0	110.3	L417 L418 E461 L462 E463 L482 Y485	L417-V459 HydrophobicContact CD1-CG2 4.02Å; L417-V459 HydrophobicContact CG-CG2 3.98Å; L418-V459 WeakPolarHBondContact O-CG2 3.37Å; L418-V459 PolarHBondContact O-N 2.82Å; V459-E461 VanDerWaalsContact C-N 3.35Å; V459-E461 PolarHBondContact O-N 3.19Å; V459-L462 PolarHBondContact O-N 3.17Å; V459-E463 HydrophobicContact CG1-CG 4.24Å; V459-E463 WeakPolarHBondContact O-CG 3.28Å; V459-E463 PolarHBondContact O-N 3.49Å; V459-L482 HydrophobicContact CG1-CD2 3.97Å; V459-Y485 HydrophobicContact CG1-CD1 4.44Å; V459-Y485 HydrophobicContact CG1-CE1 4.3Å; V459-Y485 HydrophobicContact CG2-CD1 3.88Å; V459-Y485 HydrophobicContact CG2-CD2 3.87Å; V459-Y485 HydrophobicContact CG2-CE1 3.48Å; V459-Y485 VanDerWaalsContact CG2-CE1 3.48Å; V459-Y485 HydrophobicContact CG2-CE2 3.48Å; V459-Y485 VanDerWaalsContact CG2-CE2 3.48Å; V459-Y485 HydrophobicContact CG2-CG 4.06Å
460	K	92.3	Very high	92	Very high	79 Å²	79	55.7 Å²	55.7	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-42.8	178.8	-179.8	55.2	179.5	151.6	0	112.7	L305 L458 L462 E463 D464	L305-K460 HydrophobicContact CD1-CB 4.01Å; L305-K460 HydrophobicContact CD1-CG 4.29Å; L458-K460 PolarHBondContact O-N 3.39Å; K460-L462 VanDerWaalsContact C-N 3.33Å; K460-L462 PolarHBondContact O-N 3.03Å; K460-E463 PolarHBondContact O-N 2.92Å; K460-D464 WeakPolarHBondContact CE-OD2 3.45Å; K460-D464 IonicContact NZ-OD1 2.79Å; K460-D464 PolarHBondContact NZ-OD1 3.09Å; K460-D464 IonicContact NZ-OD2 3.12Å; K460-D464 PolarHBondContact NZ-OD2 3.2Å; K460-D464 WeakPolarHBondContact O-CB 3.26Å; K460-D464 VanDerWaalsContact O-CG 3.23Å; K460-D464 PolarHBondContact O-N 2.66Å
461	E	93	Very high	91.5	Very high	64 Å²	64	52 Å²	52	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-39.2	177.6	-69	165.6	172.8	0	0	111.4	L458 V459 D464 L465	L458-E461 HydrophobicContact CB-CB 4.23Å; L458-E461 HydrophobicContact CB-CG 3.88Å; L458-E461 HydrophobicContact CD1-CG 4.4Å; L458-E461 HydrophobicContact CG-CG 4.39Å; L458-E461 PolarHBondContact N-OE2 2.95Å; L458-E461 WeakPolarHBondContact O-CB 3.24Å; L458-E461 PolarHBondContact O-N 3.26Å; L458-E461 VanDerWaalsContact O-N 3.1Å; V459-E461 VanDerWaalsContact C-N 3.35Å; V459-E461 PolarHBondContact O-N 3.19Å; E461-D464 PolarHBondContact O-N 3.07Å; E461-L465 VanDerWaalsContact O-CB 3.28Å; E461-L465 WeakPolarHBondContact O-CB 3.48Å; E461-L465 PolarHBondContact O-N 3.09Å
462	L	94.6	Very high	91.2	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-73.1	-35.9	176.9	-61.2	-162	0	0	0	112.6	F399 L417 L458 V459 K460 D464 L465 Q466 A478 H481 L482	F399-L462 HydrophobicContact CB-CD2 4.45Å; F399-L462 HydrophobicContact CD1-CD2 3.65Å; F399-L462 HydrophobicContact CD2-CD2 3.95Å; F399-L462 HydrophobicContact CE1-CD2 3.74Å; F399-L462 HydrophobicContact CE2-CD1 4.01Å; F399-L462 HydrophobicContact CE2-CD2 4.03Å; F399-L462 HydrophobicContact CG-CD2 3.75Å; F399-L462 HydrophobicContact CZ-CD1 4.07Å; F399-L462 HydrophobicContact CZ-CD2 3.93Å; L417-L462 HydrophobicContact CD1-CD1 3.56Å; L417-L462 HydrophobicContact CD1-CG 4.01Å; L417-L462 HydrophobicContact CD2-CD1 4.06Å; L417-L462 HydrophobicContact CG-CD1 4.44Å; L458-L462 PolarHBondContact O-N 3.2Å; L458-L462 VanDerWaalsContact O-N 3.1Å; V459-L462 PolarHBondContact O-N 3.17Å; K460-L462 VanDerWaalsContact C-N 3.33Å; K460-L462 PolarHBondContact O-N 3.03Å; L462-D464 VanDerWaalsContact C-N 3.34Å; L462-L465 HydrophobicContact CD2-CD2 4.34Å; L462-L465 PolarHBondContact O-N 3.46Å; L462-Q466 WeakPolarHBondContact O-CB 3.44Å; L462-Q466 PolarHBondContact O-N 3.07Å; L462-A478 HydrophobicContact CB-CB 4.27Å; L462-H481 HydrophobicContact CD1-CB 3.75Å; L462-L482 HydrophobicContact CB-CD1 4.19Å; L462-L482 HydrophobicContact CB-CD2 4.08Å; L462-L482 HydrophobicContact CB-CG 4.06Å
463	E	93.7	Very high	90.9	Very high	68 Å²	68	56.9 Å²	56.9	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-58.8	-47.5	170.7	-74.2	177.9	164.7	0	0	110.2	V459 K460 Q466 T467 L482	V459-E463 HydrophobicContact CG1-CG 4.24Å; V459-E463 WeakPolarHBondContact O-CG 3.28Å; V459-E463 PolarHBondContact O-N 3.49Å; K460-E463 PolarHBondContact O-N 2.92Å; E463-Q466 WeakPolarHBondContact O-CB 3.19Å; E463-Q466 PolarHBondContact O-N 2.86Å; E463-T467 WeakPolarHBondContact O-CG2 3.34Å; E463-T467 PolarHBondContact O-N 2.99Å; E463-L482 HydrophobicContact CG-CD1 4.37Å; E463-L482 HydrophobicContact CG-CD2 4.25Å
464	D	91.8	Very high	90.5	Very high	55 Å²	55	57.9 Å²	57.9	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-45.1	178.2	-67.7	-19.9	0	0	0	110.7	K460 E461 L462 Q466 T467 Q468	K460-D464 WeakPolarHBondContact CE-OD2 3.45Å; K460-D464 IonicContact NZ-OD1 2.79Å; K460-D464 PolarHBondContact NZ-OD1 3.09Å; K460-D464 IonicContact NZ-OD2 3.12Å; K460-D464 PolarHBondContact NZ-OD2 3.2Å; K460-D464 WeakPolarHBondContact O-CB 3.26Å; K460-D464 VanDerWaalsContact O-CG 3.23Å; K460-D464 PolarHBondContact O-N 2.66Å; E461-D464 PolarHBondContact O-N 3.07Å; L462-D464 VanDerWaalsContact C-N 3.34Å; D464-Q466 PolarHBondContact O-N 2.72Å; D464-T467 PolarHBondContact O-N 2.62Å; D464-T467 PolarHBondContact O-OG1 2.98Å; D464-Q468 WeakPolarHBondContact O-CG 3.18Å; D464-Q468 PolarHBondContact O-N 3.16Å
465	L	91.8	Very high	90.3	Very high	29 Å²	29	62 Å²	62	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-32.6	175.7	-170.9	62.8	0	0	0	112.7	F399 T400 E461 L462 T467 H474 A478	F399-L465 HydrophobicContact CD1-CD2 3.81Å; F399-L465 HydrophobicContact CE1-CD2 4.08Å; T400-L465 HydrophobicContact CG2-CD2 4.09Å; E461-L465 VanDerWaalsContact O-CB 3.28Å; E461-L465 WeakPolarHBondContact O-CB 3.48Å; E461-L465 PolarHBondContact O-N 3.09Å; L462-L465 HydrophobicContact CD2-CD2 4.34Å; L462-L465 PolarHBondContact O-N 3.46Å; L465-T467 VanDerWaalsContact C-N 3.31Å; L465-H474 HydrophobicContact CD1-CB 4.08Å; L465-H474 HydrophobicContact CD2-CB 4.22Å; L465-H474 HydrophobicContact CG-CB 4.25Å; L465-A478 HydrophobicContact CB-CB 4.34Å; L465-A478 HydrophobicContact CD2-CB 4.18Å; L465-A478 HydrophobicContact CG-CB 4.33Å
466	Q	90.2	Very high	90.1	Very high	86 Å²	86	67.4 Å²	67.4	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-34	175.8	-165.1	-178.8	38.5	0	0	111.8	L462 E463 D464 R475 A478 L482	L462-Q466 WeakPolarHBondContact O-CB 3.44Å; L462-Q466 PolarHBondContact O-N 3.07Å; E463-Q466 WeakPolarHBondContact O-CB 3.19Å; E463-Q466 PolarHBondContact O-N 2.86Å; D464-Q466 PolarHBondContact O-N 2.72Å; Q466-R475 HydrophobicContact CG-CG 4.14Å; Q466-R475 WeakPolarHBondContact O-CD 3.3Å; Q466-R475 WeakPolarHBondContact O-CG 3.38Å; Q466-R475 PolarHBondContact O-NE 2.91Å; Q466-A478 HydrophobicContact CB-CB 4.5Å; Q466-L482 HydrophobicContact CB-CD1 4.42Å
467	T	88.3	Confident	90	Very high	108 Å²	108	66.1 Å²	66.1	66%	0.663	33%	0.326	S	S	*	.	H	α-helix	trans	-81.9	-25.5	178.8	67.5	0	0	0	0	113.8	E463 D464 L465	E463-T467 WeakPolarHBondContact O-CG2 3.34Å; E463-T467 PolarHBondContact O-N 2.99Å; D464-T467 PolarHBondContact O-N 2.62Å; D464-T467 PolarHBondContact O-OG1 2.98Å; L465-T467 VanDerWaalsContact C-N 3.31Å
468	Q	82.5	Confident	90	Very high	93 Å²	93	66 Å²	66	44%	0.435	33%	0.326	S	S	.	.			trans	-65.4	141	-179.8	-74.6	172.2	-1.2	0	0	112.2	D464 R475	D464-Q468 WeakPolarHBondContact O-CG 3.18Å; D464-Q468 PolarHBondContact O-N 3.16Å; Q468-R475 PolarHBondContact O-NH2 3.28Å
469	Q	67.7	Low	90	Very high	175 Å²	175	67 Å²	67	82%	0.818	34%	0.335	S	S	*	.	S	Bend	trans	-85.8	-11.1	-175.8	-75.6	-172.2	9.5	0	0	114.8	N471 R475	Q469-N471 PolarHBondContact O-N 3.37Å; Q469-R475 VanDerWaalsContact CA-NH2 3.34Å
470	E	77.3	Confident	90.1	Very high	178 Å²	178	68.5 Å²	68.5	83%	0.832	34%	0.343	S	S	*	.	S	Bend	trans	-70	-41.1	-159.5	-60.5	-172.9	167.8	0	0	114.7
471	N	84.9	Confident	90.3	Very high	57 Å²	57	64.7 Å²	64.7	31%	0.305	33%	0.326	S	S	.	.			trans	-137.1	109.2	-176.8	-169.2	-19.7	0	0	0	112.3	Q469 L473 H474 R475	Q469-N471 PolarHBondContact O-N 3.37Å; N471-L473 PolarHBondContact O-N 3.35Å; N471-L473 VanDerWaalsContact OD1-CB 3.28Å; N471-L473 WeakPolarHBondContact OD1-CB 3.44Å; N471-L473 PolarHBondContact OD1-N 2.63Å; N471-H474 HydrophobicContact CB-CB 4.05Å; N471-H474 PolarHBondContact ND2-CD2 2.82Å; N471-H474 PolarHBondContact ND2-CE1 2.79Å; N471-H474 PolarHBondContact ND2-ND1 2.91Å; N471-H474 PolarHBondContact ND2-NE2 2.82Å; N471-H474 PolarHBondContact O-N 2.8Å; N471-H474 VanDerWaalsContact O-N 3.14Å; N471-R475 PolarHBondContact O-N 3.44Å; N471-R475 VanDerWaalsContact O-N 3.13Å
472	P	90.7	Very high	90.5	Very high	91 Å²	91	63.3 Å²	63.3	59%	0.591	32%	0.321	S	S	*	.	H	α-helix	trans	-55.3	-33.1	177.6	-26.1	34.3	0	0	0	113.9	Q476	P472-Q476 PolarHBondContact O-N 3.27Å; P472-Q476 VanDerWaalsContact O-N 3.07Å
473	L	91	Very high	90.6	Very high	53 Å²	53	69.6 Å²	69.6	28%	0.277	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-45.6	178.9	-176.2	63.2	0	0	0	111.1	R407 N471 R475 Q476 L477	R407-L473 VanDerWaalsContact NH2-CD2 3.32Å; N471-L473 PolarHBondContact O-N 3.35Å; N471-L473 VanDerWaalsContact OD1-CB 3.28Å; N471-L473 WeakPolarHBondContact OD1-CB 3.44Å; N471-L473 PolarHBondContact OD1-N 2.63Å; L473-R475 VanDerWaalsContact C-N 3.32Å; L473-R475 PolarHBondContact O-N 3.41Å; L473-Q476 WeakPolarHBondContact O-CB 3.44Å; L473-Q476 PolarHBondContact O-N 3.27Å; L473-Q476 VanDerWaalsContact O-N 3.15Å; L473-L477 WeakPolarHBondContact O-CG 3.22Å; L473-L477 PolarHBondContact O-N 3.13Å
474	H	91.9	Very high	90.7	Very high	31 Å²	31	69.7 Å²	69.7	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-40	178.2	-63.3	173.3	0	0	0	111.6	T400 L465 N471 Q476 L477 A478	T400-H474 HydrophobicContact CG2-CB 4.12Å; T400-H474 WeakPolarHBondContact CG2-ND1 3.33Å; L465-H474 HydrophobicContact CD1-CB 4.08Å; L465-H474 HydrophobicContact CD2-CB 4.22Å; L465-H474 HydrophobicContact CG-CB 4.25Å; N471-H474 HydrophobicContact CB-CB 4.05Å; N471-H474 PolarHBondContact ND2-CD2 2.82Å; N471-H474 PolarHBondContact ND2-CE1 2.79Å; N471-H474 PolarHBondContact ND2-ND1 2.91Å; N471-H474 PolarHBondContact ND2-NE2 2.82Å; N471-H474 PolarHBondContact O-N 2.8Å; N471-H474 VanDerWaalsContact O-N 3.14Å; H474-Q476 VanDerWaalsContact C-N 3.32Å; H474-Q476 PolarHBondContact O-N 3.34Å; H474-L477 PolarHBondContact O-N 3.39Å; H474-A478 WeakPolarHBondContact O-CB 3.46Å; H474-A478 PolarHBondContact O-N 3.13Å
475	R	92.7	Very high	90.9	Very high	90 Å²	90	69.5 Å²	69.5	34%	0.34	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-43.7	173	-176.8	-177	-52.3	132.1	13.8	111.9	Q466 Q468 Q469 N471 L473 A478 G479	Q466-R475 HydrophobicContact CG-CG 4.14Å; Q466-R475 WeakPolarHBondContact O-CD 3.3Å; Q466-R475 WeakPolarHBondContact O-CG 3.38Å; Q466-R475 PolarHBondContact O-NE 2.91Å; Q468-R475 PolarHBondContact O-NH2 3.28Å; Q469-R475 VanDerWaalsContact CA-NH2 3.34Å; N471-R475 PolarHBondContact O-N 3.44Å; N471-R475 VanDerWaalsContact O-N 3.13Å; L473-R475 VanDerWaalsContact C-N 3.32Å; L473-R475 PolarHBondContact O-N 3.41Å; R475-A478 PolarHBondContact O-N 3.15Å; R475-G479 PolarHBondContact O-N 2.95Å
476	Q	93.8	Very high	91.1	Very high	114 Å²	114	71.1 Å²	71.1	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-45.5	177.5	-177	-177.9	-4	0	0	111.3	P472 L473 H474 A478 G479 L480	P472-Q476 PolarHBondContact O-N 3.27Å; P472-Q476 VanDerWaalsContact O-N 3.07Å; L473-Q476 WeakPolarHBondContact O-CB 3.44Å; L473-Q476 PolarHBondContact O-N 3.27Å; L473-Q476 VanDerWaalsContact O-N 3.15Å; H474-Q476 VanDerWaalsContact C-N 3.32Å; H474-Q476 PolarHBondContact O-N 3.34Å; Q476-A478 PolarHBondContact O-N 2.97Å; Q476-G479 PolarHBondContact O-N 3.38Å; Q476-L480 HydrophobicContact CG-CD1 4.25Å; Q476-L480 WeakPolarHBondContact O-CG 3.2Å; Q476-L480 PolarHBondContact O-N 2.85Å
477	L	95.6	Very high	91.2	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.1	-48.7	176.5	-65.9	175.4	0	0	0	111.2	F399 F403 L473 H474 G479 L480 H481 N497	F399-L477 HydrophobicContact CE1-CB 3.85Å; F399-L477 HydrophobicContact CZ-CB 4.09Å; F403-L477 HydrophobicContact CB-CD1 3.63Å; F403-L477 HydrophobicContact CD1-CD1 4.39Å; F403-L477 HydrophobicContact CD1-CD2 3.86Å; F403-L477 HydrophobicContact CD2-CD1 3.97Å; F403-L477 HydrophobicContact CE1-CD2 4.29Å; F403-L477 HydrophobicContact CG-CD1 3.71Å; F403-L477 HydrophobicContact CG-CD2 4.03Å; F403-L477 HydrophobicContact CG-CG 4.44Å; L473-L477 WeakPolarHBondContact O-CG 3.22Å; L473-L477 PolarHBondContact O-N 3.13Å; H474-L477 PolarHBondContact O-N 3.39Å; L477-G479 PolarHBondContact O-N 3.44Å; L477-L480 PolarHBondContact O-N 3.12Å; L477-H481 PolarHBondContact O-N 3.24Å; L477-H481 PolarHBondContact O-ND1 3.01Å; L477-N497 WeakPolarHBondContact CD2-O 3.5Å
478	A	95.8	Very high	91.4	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-47.1	177.5	0	0	0	0	0	111.7	L462 L465 Q466 H474 R475 Q476 L480 H481 L482	L462-A478 HydrophobicContact CB-CB 4.27Å; L465-A478 HydrophobicContact CB-CB 4.34Å; L465-A478 HydrophobicContact CD2-CB 4.18Å; L465-A478 HydrophobicContact CG-CB 4.33Å; Q466-A478 HydrophobicContact CB-CB 4.5Å; H474-A478 WeakPolarHBondContact O-CB 3.46Å; H474-A478 PolarHBondContact O-N 3.13Å; R475-A478 PolarHBondContact O-N 3.15Å; Q476-A478 PolarHBondContact O-N 2.97Å; A478-L480 PolarHBondContact O-N 3.22Å; A478-H481 PolarHBondContact O-N 3.12Å; A478-L482 WeakPolarHBondContact O-CB 3.1Å; A478-L482 WeakPolarHBondContact O-CG 3.1Å; A478-L482 PolarHBondContact O-N 3.39Å
479	G	96	Very high	92	Very high	20 Å²	20	62.9 Å²	62.9	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-42.4	178.2	0	0	0	0	0	113.4	R475 Q476 L477 H481 L482 E483	R475-G479 PolarHBondContact O-N 2.95Å; Q476-G479 PolarHBondContact O-N 3.38Å; L477-G479 PolarHBondContact O-N 3.44Å; G479-H481 VanDerWaalsContact C-N 3.33Å; G479-H481 PolarHBondContact O-N 2.89Å; G479-L482 PolarHBondContact O-N 3.2Å; G479-E483 WeakPolarHBondContact O-CB 3.14Å; G479-E483 PolarHBondContact O-N 3.32Å
480	L	96.3	Very high	93.4	Very high	44 Å²	44	54.8 Å²	54.8	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-34.3	177.8	-71	171.2	0	0	0	112.9	Q476 L477 A478	Q476-L480 HydrophobicContact CG-CD1 4.25Å; Q476-L480 WeakPolarHBondContact O-CG 3.2Å; Q476-L480 PolarHBondContact O-N 2.85Å; L477-L480 PolarHBondContact O-N 3.12Å; A478-L480 PolarHBondContact O-N 3.22Å
481	H	96.9	Very high	94.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-74.4	-45.2	176.4	-73.8	66.8	0	0	0	111.4	F399 F403 S415 L417 L462 L477 A478 G479 E483 K484 Y485 M492	F399-H481 AromaticContact CE2-CD2 3.74Å; F399-H481 AromaticContact CE2-CE1 3.84Å; F399-H481 AromaticContact CE2-CG 3.9Å; F399-H481 AromaticContact CE2-ND1 3.95Å; F399-H481 AromaticContact CE2-NE2 3.7Å; F399-H481 AromaticContact CZ-CE1 3.77Å; F399-H481 AromaticContact CZ-CG 3.88Å; F399-H481 AromaticContact CZ-ND1 3.62Å; F403-H481 AromaticContact CE2-CE1 3.57Å; F403-H481 AromaticContact CE2-NE2 3.72Å; F403-H481 AromaticContact CZ-CE1 3.18Å; F403-H481 WeakPolarHBondContact CZ-CE1 3.2Å; F403-H481 AromaticContact CZ-NE2 3.37Å; F403-H481 WeakPolarHBondContact CZ-NE2 3.31Å; S415-H481 PolarHBondContact OG-CD2 3.43Å; S415-H481 PolarHBondContact OG-NE2 3.3Å; L417-H481 HydrophobicContact CD2-CB 4.2Å; L462-H481 HydrophobicContact CD1-CB 3.75Å; L477-H481 PolarHBondContact O-N 3.24Å; L477-H481 PolarHBondContact O-ND1 3.01Å; A478-H481 PolarHBondContact O-N 3.12Å; G479-H481 VanDerWaalsContact C-N 3.33Å; G479-H481 PolarHBondContact O-N 2.89Å; H481-E483 VanDerWaalsContact C-N 3.27Å; H481-E483 PolarHBondContact O-N 3.23Å; H481-K484 PolarHBondContact O-N 3.22Å; H481-K484 VanDerWaalsContact O-N 3.11Å; H481-Y485 PolarHBondContact O-N 3.43Å; H481-Y485 VanDerWaalsContact O-N 3.13Å; H481-M492 HydrophobicContact CB-CE 4.28Å; H481-M492 HydrophobicContact CB-SD 4.39Å
482	L	96.9	Very high	95	Very high	35 Å²	35	43.6 Å²	43.6	18%	0.183	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-33.6	178.1	-71	170.2	0	0	0	112.2	V459 L462 E463 Q466 A478 G479 K484 Y485	V459-L482 HydrophobicContact CG1-CD2 3.97Å; L462-L482 HydrophobicContact CB-CD1 4.19Å; L462-L482 HydrophobicContact CB-CD2 4.08Å; L462-L482 HydrophobicContact CB-CG 4.06Å; E463-L482 HydrophobicContact CG-CD1 4.37Å; E463-L482 HydrophobicContact CG-CD2 4.25Å; Q466-L482 HydrophobicContact CB-CD1 4.42Å; A478-L482 WeakPolarHBondContact O-CB 3.1Å; A478-L482 WeakPolarHBondContact O-CG 3.1Å; A478-L482 PolarHBondContact O-N 3.39Å; G479-L482 PolarHBondContact O-N 3.2Å; L482-K484 PolarHBondContact O-N 3.08Å; L482-Y485 PolarHBondContact O-N 3.15Å
483	E	96.7	Very high	95.4	Very high	134 Å²	134	39.2 Å²	39.2	63%	0.626	19%	0.192	S	C	*	.	H	α-helix	trans	-61.2	-33.2	174.9	-168.8	-159.4	127.7	0	0	112.6	G479 H481	G479-E483 WeakPolarHBondContact O-CB 3.14Å; G479-E483 PolarHBondContact O-N 3.32Å; H481-E483 VanDerWaalsContact C-N 3.27Å; H481-E483 PolarHBondContact O-N 3.23Å
484	K	96.4	Very high	95.7	Very high	70 Å²	70	36.7 Å²	36.7	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-91.6	-13.3	-179.6	-62.9	-52.2	-178.3	-154.5	0	114	H481 L482 S486 M492 V500	H481-K484 PolarHBondContact O-N 3.22Å; H481-K484 VanDerWaalsContact O-N 3.11Å; L482-K484 PolarHBondContact O-N 3.08Å; K484-S486 PolarHBondContact O-N 3.32Å; K484-M492 HydrophobicContact CB-SD 4.14Å; K484-V500 HydrophobicContact CG-CB 4.05Å; K484-V500 HydrophobicContact CG-CG1 4.18Å; K484-V500 HydrophobicContact CG-CG2 3.88Å
485	Y	96.8	Very high	96	Very high	51 Å²	51	35.9 Å²	35.9	20%	0.2	18%	0.175	C	C	.	.			trans	-64.1	125.2	-175	179.2	-110.1	0	0	0	112.3	L417 V459 H481 L482 P488 E490	L417-Y485 HydrophobicContact CB-CD2 4.21Å; L417-Y485 HydrophobicContact CD2-CD2 3.7Å; L417-Y485 HydrophobicContact CD2-CG 3.89Å; L417-Y485 HydrophobicContact CG-CD2 3.66Å; L417-Y485 HydrophobicContact CG-CE2 4.22Å; L417-Y485 HydrophobicContact CG-CG 4.31Å; V459-Y485 HydrophobicContact CG1-CD1 4.44Å; V459-Y485 HydrophobicContact CG1-CE1 4.3Å; V459-Y485 HydrophobicContact CG2-CD1 3.88Å; V459-Y485 HydrophobicContact CG2-CD2 3.87Å; V459-Y485 HydrophobicContact CG2-CE1 3.48Å; V459-Y485 VanDerWaalsContact CG2-CE1 3.48Å; V459-Y485 HydrophobicContact CG2-CE2 3.48Å; V459-Y485 VanDerWaalsContact CG2-CE2 3.48Å; V459-Y485 HydrophobicContact CG2-CG 4.06Å; H481-Y485 PolarHBondContact O-N 3.43Å; H481-Y485 VanDerWaalsContact O-N 3.13Å; L482-Y485 PolarHBondContact O-N 3.15Å; Y485-P488 PolarHBondContact OH-O 2.69Å; Y485-P488 VanDerWaalsContact OH-O 3.14Å; Y485-E490 HydrophobicContact CD2-CB 3.96Å
486	S	95.3	Very high	96.1	Very high	63 Å²	63	32.4 Å²	32.4	44%	0.441	16%	0.164	S	C	.	.			trans	-118.6	137.9	162.4	-167.1	0	0	0	0	110.1	K484 E490 N505	K484-S486 PolarHBondContact O-N 3.32Å; S486-E490 WeakPolarHBondContact CB-OE2 3.24Å; S486-E490 PolarHBondContact N-OE2 3.49Å; S486-N505 PolarHBondContact O-ND2 2.98Å
487	F	91.9	Very high	96.1	Very high	107 Å²	107	30.7 Å²	30.7	47%	0.469	16%	0.158	S	C	.	.	S	Bend	trans	-60.5	145.8	-178.4	177.3	-88	0	0	0	111.9	W419 N505	W419-F487 HydrophobicContact CB-CE2 4.3Å; W419-F487 AromaticContact CD2-CE2 3.85Å; W419-F487 HydrophobicContact CD2-CE2 3.85Å; W419-F487 HydrophobicContact CE3-CE2 4.05Å; W419-F487 HydrophobicContact CE3-CZ 4.43Å; W419-F487 HydrophobicContact CG-CD2 4.46Å; W419-F487 AromaticContact CG-CE2 4Å; W419-F487 HydrophobicContact CG-CE2 4Å; F487-N505 PolarHBondContact O-ND2 2.87Å
488	P	92.4	Very high	96.1	Very high	8 Å²	8	30.7 Å²	30.7	5%	0.052	16%	0.158	C	C	.	.	S	Bend	cis	-95.6	-10.2	-7.3	35.8	-36.3	0	0	0	114.3	W419 U428 S430 Y485	W419-P488 PolarHBondContact N-O 2.89Å; C428-P488 HydrophobicContact CB-CB 4.14Å; S430-P488 WeakPolarHBondContact OG-CG 3.26Å; Y485-P488 PolarHBondContact OH-O 2.69Å; Y485-P488 VanDerWaalsContact OH-O 3.14Å
489	V	95.4	Very high	96.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128	-175.6	179.8	0	0	0	0	109.9	I416 L417 L418 U428 L434 N505 A506	I416-V489 HydrophobicContact CG2-CG1 3.62Å; L417-V489 WeakPolarHBondContact O-CA 3.23Å; L418-V489 HydrophobicContact CB-CG2 4.32Å; L418-V489 HydrophobicContact CD2-CG1 4.03Å; L418-V489 HydrophobicContact CD2-CG2 3.7Å; L418-V489 HydrophobicContact CG-CG1 4.07Å; L418-V489 HydrophobicContact CG-CG2 4.06Å; C428-V489 WeakPolarHBondContact SG-CG2 3.37Å; L434-V489 HydrophobicContact CD1-CG1 3.83Å; V489-N505 WeakPolarHBondContact O-CA 3.26Å; V489-N505 PolarHBondContact O-ND2 2.83Å; V489-A506 HydrophobicContact CB-CB 3.67Å; V489-A506 HydrophobicContact CG1-CB 4.06Å; V489-A506 PolarHBondContact O-N 2.81Å
490	E	97.7	Very high	96.1	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.9	173.8	-168	69.8	-135.2	0	0	109.5	L417 Y485 S486 M492 H503 I504 N505	L417-E490 PolarHBondContact N-O 3.4Å; L417-E490 PolarHBondContact O-N 3.48Å; Y485-E490 HydrophobicContact CD2-CB 3.96Å; S486-E490 WeakPolarHBondContact CB-OE2 3.24Å; S486-E490 PolarHBondContact N-OE2 3.49Å; E490-M492 HydrophobicContact CB-CE 4.35Å; E490-M492 HydrophobicContact CG-CE 4.35Å; E490-M492 HydrophobicContact CG-CG 3.97Å; E490-M492 HydrophobicContact CG-SD 4.33Å; E490-H503 HydrophobicContact CG-CB 4.48Å; E490-H503 IonicContact OE1-CE1 3.7Å; E490-H503 IonicContact OE1-CG 2.82Å; E490-H503 IonicContact OE1-ND1 3.45Å; E490-H503 PolarHBondContact OE1-ND1 2.96Å; E490-I504 WeakPolarHBondContact OE1-CA 2.92Å; E490-I504 PolarHBondContact OE1-N 3.26Å; E490-I504 VanDerWaalsContact OE1-N 3.17Å; E490-N505 PolarHBondContact OE1-N 2.9Å; E490-N505 VanDerWaalsContact OE1-N 3.16Å
491	M	97.6	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.7	174.3	-63.3	160.6	-78.6	0	0	108.5	I416 L434 H503 I504 A506 F509 Y540 F543	I416-M491 HydrophobicContact CG1-CG 4.48Å; I416-M491 HydrophobicContact CG2-CG 4.32Å; L434-M491 HydrophobicContact CD1-CE 4.15Å; L434-M491 HydrophobicContact CD1-CG 4.23Å; L434-M491 HydrophobicContact CD1-SD 3.66Å; L434-M491 HydrophobicContact CD2-CE 4.26Å; L434-M491 HydrophobicContact CD2-SD 3.75Å; L434-M491 HydrophobicContact CG-SD 4.38Å; M491-H503 CarbonylContact O-C 3.56Å; M491-H503 WeakPolarHBondContact O-CA 2.9Å; M491-H503 WeakPolarHBondContact O-CB 3.31Å; M491-I504 HydrophobicContact CB-CG2 4.23Å; M491-I504 HydrophobicContact CE-CG2 3.74Å; M491-I504 WeakPolarHBondContact CE-O 3.32Å; M491-I504 PolarHBondContact N-O 2.75Å; M491-I504 PolarHBondContact O-N 2.86Å; M491-A506 HydrophobicContact CE-CB 3.98Å; M491-F509 HydrophobicContact CE-CB 3.96Å; M491-F509 HydrophobicContact CE-CG 4.2Å; M491-Y540 HydrophobicContact SD-CD2 4.24Å; M491-Y540 HydrophobicContact SD-CE2 3.39Å; M491-Y540 WeakPolarHBondContact SD-CE2 3.49Å; M491-F543 HydrophobicContact CB-CE1 4.01Å; M491-F543 HydrophobicContact CB-CZ 3.94Å
492	M	98.4	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.6	-171.1	-67.4	173.5	-86.5	0	0	111.4	S415 L417 H481 K484 E490 V500 H502 H503	S415-M492 PolarHBondContact N-O 3.23Å; S415-M492 PolarHBondContact O-N 3.11Å; L417-M492 HydrophobicContact CB-CE 3.4Å; L417-M492 HydrophobicContact CD2-CE 4.06Å; L417-M492 HydrophobicContact CG-CE 4.4Å; H481-M492 HydrophobicContact CB-CE 4.28Å; H481-M492 HydrophobicContact CB-SD 4.39Å; K484-M492 HydrophobicContact CB-SD 4.14Å; E490-M492 HydrophobicContact CB-CE 4.35Å; E490-M492 HydrophobicContact CG-CE 4.35Å; E490-M492 HydrophobicContact CG-CG 3.97Å; E490-M492 HydrophobicContact CG-SD 4.33Å; M492-V500 HydrophobicContact CB-CG1 4.2Å; M492-V500 HydrophobicContact CG-CG1 4.09Å; M492-V500 HydrophobicContact SD-CG2 4.07Å; M492-H502 CarbonylContact C-O 3.48Å; M492-H502 WeakPolarHBondContact CA-O 3.49Å; M492-H503 HydrophobicContact CB-CB 4.44Å; M492-H503 HydrophobicContact CG-CB 3.76Å
493	I	98.4	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.6	165.8	-53.6	-60.4	0	0	0	107.3	L412 V413 H414 F452 V501 H502 F543 L544	L412-I493 HydrophobicContact CB-CG2 4.3Å; L412-I493 HydrophobicContact CD1-CG2 3.97Å; V413-I493 CarbonylContact O-C 3.59Å; V413-I493 WeakPolarHBondContact O-CA 3.39Å; H414-I493 HydrophobicContact CB-CD1 4.33Å; F452-I493 HydrophobicContact CD1-CD1 4.38Å; F452-I493 HydrophobicContact CE1-CD1 3.79Å; F452-I493 HydrophobicContact CE1-CG2 3.87Å; F452-I493 HydrophobicContact CZ-CD1 4.17Å; I493-V501 HydrophobicContact CB-CG2 4.13Å; I493-V501 HydrophobicContact CG2-CG2 3.83Å; I493-V501 WeakPolarHBondContact O-CG2 3.37Å; I493-V501 PolarHBondContact O-N 2.96Å; I493-H502 HydrophobicContact CB-CB 4.3Å; I493-H502 HydrophobicContact CG1-CB 4.48Å; I493-H502 PolarHBondContact N-O 3.15Å; I493-H502 PolarHBondContact O-N 3.41Å; I493-F543 HydrophobicContact CD1-CE1 4.03Å; I493-F543 HydrophobicContact CD1-CZ 4.15Å; I493-F543 HydrophobicContact CG1-CE1 4.12Å; I493-F543 HydrophobicContact CG1-CE2 4.32Å; I493-F543 HydrophobicContact CG1-CZ 3.78Å; I493-L544 HydrophobicContact CD1-CD2 3.9Å
494	C	98	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.9	-170.8	-52.6	0	0	0	0	111.6	F403 L412 V413 T499	F403-C494 HydrophobicContact CE1-CB 3.93Å; F403-C494 HydrophobicContact CZ-CB 4.04Å; L412-C494 WeakPolarHBondContact CA-O 3.45Å; V413-C494 HydrophobicContact CB-CB 4.22Å; V413-C494 PolarHBondContact N-O 3.43Å; V413-C494 PolarHBondContact O-N 2.86Å; C494-T499 CarbonylContact C-O 3.56Å; C494-T499 WeakPolarHBondContact CA-O 3.39Å
495	L	97.2	Very high	96.2	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.068	15%	0.152	C	C	.	.			trans	-75.5	160.1	164.6	-70.1	169	0	0	0	110.5	F403 L412 N497 G498 T499 V501 L554 L555	F403-L495 WeakPolarHBondContact CE1-O 3.46Å; L412-L495 HydrophobicContact CD2-CD2 3.62Å; L412-L495 HydrophobicContact CD2-CG 4.46Å; L495-N497 VanDerWaalsContact CB-OD1 3.23Å; L495-N497 WeakPolarHBondContact CB-OD1 3.32Å; L495-N497 PolarHBondContact O-N 3.37Å; L495-G498 PolarHBondContact O-N 3.25Å; L495-T499 HydrophobicContact CD1-CG2 4.43Å; L495-T499 PolarHBondContact N-O 2.81Å; L495-V501 HydrophobicContact CD1-CG1 3.87Å; L495-V501 HydrophobicContact CG-CG1 3.78Å; L495-L554 HydrophobicContact CD1-CB 3.82Å; L495-L554 HydrophobicContact CD1-CD1 4.1Å; L495-L554 HydrophobicContact CD2-CB 3.93Å; L495-L555 HydrophobicContact CD2-CD2 3.78Å; L495-L555 HydrophobicContact CD2-CG 3.88Å
496	P	95.7	Very high	96	Very high	17 Å²	17	26.4 Å²	26.4	11%	0.11	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.1	177	-29	34.3	0	0	0	116	A406 R407 K411 G498 L555	A406-P496 HydrophobicContact CB-CB 4.32Å; A406-P496 HydrophobicContact CB-CG 4.29Å; R407-P496 HydrophobicContact CB-CB 4.14Å; K411-P496 WeakPolarHBondContact O-CG 3.12Å; P496-G498 VanDerWaalsContact C-N 3.33Å; P496-L555 HydrophobicContact CG-CD2 3.71Å
497	N	93.5	Very high	95.8	Very high	78 Å²	78	26.5 Å²	26.5	42%	0.417	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.3	175.3	70	-8.9	0	0	0	113.3	L477 L495 T499	L477-N497 WeakPolarHBondContact CD2-O 3.5Å; L495-N497 VanDerWaalsContact CB-OD1 3.23Å; L495-N497 WeakPolarHBondContact CB-OD1 3.32Å; L495-N497 PolarHBondContact O-N 3.37Å; N497-T499 PolarHBondContact ND2-OG1 2.6Å; N497-T499 WeakPolarHBondContact OD1-CB 3.38Å; N497-T499 PolarHBondContact OD1-N 3.39Å; N497-T499 PolarHBondContact OD1-OG1 2.99Å
498	G	94.7	Very high	95.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	90.4	-4.9	-178.8	0	0	0	0	0	115.8	L495 P496 V500	L495-G498 PolarHBondContact O-N 3.25Å; P496-G498 VanDerWaalsContact C-N 3.33Å; G498-V500 PolarHBondContact O-N 3.02Å
499	T	96	Very high	95.7	Very high	61 Å²	61	27.2 Å²	27.2	37%	0.374	14%	0.137	S	C	.	.			trans	-65	120.4	177.8	-59	0	0	0	0	110.4	C494 L495 N497 V501	C494-T499 CarbonylContact C-O 3.56Å; C494-T499 WeakPolarHBondContact CA-O 3.39Å; L495-T499 HydrophobicContact CD1-CG2 4.43Å; L495-T499 PolarHBondContact N-O 2.81Å; N497-T499 PolarHBondContact ND2-OG1 2.6Å; N497-T499 WeakPolarHBondContact OD1-CB 3.38Å; N497-T499 PolarHBondContact OD1-N 3.39Å; N497-T499 PolarHBondContact OD1-OG1 2.99Å; T499-V501 PolarHBondContact O-N 3.15Å
500	V	97.1	Very high	95.3	Very high	25 Å²	25	28.9 Å²	28.9	15%	0.152	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117	177.2	-175.6	0	0	0	0	109.6	K484 M492 G498 H503	K484-V500 HydrophobicContact CG-CB 4.05Å; K484-V500 HydrophobicContact CG-CG1 4.18Å; K484-V500 HydrophobicContact CG-CG2 3.88Å; M492-V500 HydrophobicContact CB-CG1 4.2Å; M492-V500 HydrophobicContact CG-CG1 4.09Å; M492-V500 HydrophobicContact SD-CG2 4.07Å; G498-V500 PolarHBondContact O-N 3.02Å; V500-H503 HydrophobicContact CG1-CB 3.93Å
501	V	96.9	Very high	94.7	Very high	23 Å²	23	33.3 Å²	33.3	14%	0.139	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-24.3	-178.7	-64.3	0	0	0	0	113.1	I493 L495 T499 R550 L554	I493-V501 HydrophobicContact CB-CG2 4.13Å; I493-V501 HydrophobicContact CG2-CG2 3.83Å; I493-V501 WeakPolarHBondContact O-CG2 3.37Å; I493-V501 PolarHBondContact O-N 2.96Å; L495-V501 HydrophobicContact CD1-CG1 3.87Å; L495-V501 HydrophobicContact CG-CG1 3.78Å; T499-V501 PolarHBondContact O-N 3.15Å; V501-R550 HydrophobicContact CB-CB 4.41Å; V501-R550 WeakPolarHBondContact O-CD 3.26Å; V501-L554 HydrophobicContact CG1-CD1 3.87Å
502	H	97.5	Very high	94	Very high	34 Å²	34	34.2 Å²	34.2	16%	0.157	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	143.8	173.9	-163.9	24.7	0	0	0	109.4	M492 I493 F543	M492-H502 CarbonylContact C-O 3.48Å; M492-H502 WeakPolarHBondContact CA-O 3.49Å; I493-H502 HydrophobicContact CB-CB 4.3Å; I493-H502 HydrophobicContact CG1-CB 4.48Å; I493-H502 PolarHBondContact N-O 3.15Å; I493-H502 PolarHBondContact O-N 3.41Å; H502-F543 AromaticContact CD2-CD2 3.5Å; H502-F543 AromaticContact CD2-CE2 3.76Å; H502-F543 PolarHBondContact CD2-O 3.36Å; H502-F543 AromaticContact NE2-CD2 3.57Å
503	H	97.6	Very high	93.1	Very high	78 Å²	78	35.2 Å²	35.2	36%	0.361	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.9	176	70.1	100.1	0	0	0	110.6	E490 M491 M492 V500	E490-H503 HydrophobicContact CG-CB 4.48Å; E490-H503 IonicContact OE1-CE1 3.7Å; E490-H503 IonicContact OE1-CG 2.82Å; E490-H503 IonicContact OE1-ND1 3.45Å; E490-H503 PolarHBondContact OE1-ND1 2.96Å; M491-H503 CarbonylContact O-C 3.56Å; M491-H503 WeakPolarHBondContact O-CA 2.9Å; M491-H503 WeakPolarHBondContact O-CB 3.31Å; M492-H503 HydrophobicContact CB-CB 4.44Å; M492-H503 HydrophobicContact CG-CB 3.76Å; V500-H503 HydrophobicContact CG1-CB 3.93Å
504	I	96.1	Very high	92	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.108	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	133.1	174.7	-169.3	171.5	0	0	0	109.8	E490 M491 Y508 F509 F543	E490-I504 WeakPolarHBondContact OE1-CA 2.92Å; E490-I504 PolarHBondContact OE1-N 3.26Å; E490-I504 VanDerWaalsContact OE1-N 3.17Å; M491-I504 HydrophobicContact CB-CG2 4.23Å; M491-I504 HydrophobicContact CE-CG2 3.74Å; M491-I504 WeakPolarHBondContact CE-O 3.32Å; M491-I504 PolarHBondContact N-O 2.75Å; M491-I504 PolarHBondContact O-N 2.86Å; I504-Y508 HydrophobicContact CD1-CD1 3.88Å; I504-Y508 HydrophobicContact CD1-CE1 4.31Å; I504-Y508 HydrophobicContact CG1-CD1 3.84Å; I504-F509 HydrophobicContact CD1-CB 3.95Å; I504-F509 HydrophobicContact CD1-CD2 4.29Å; I504-F509 HydrophobicContact CG1-CB 4.23Å; I504-F543 HydrophobicContact CB-CD2 4.23Å; I504-F543 HydrophobicContact CB-CE2 4.26Å; I504-F543 HydrophobicContact CG2-CD1 4.47Å; I504-F543 HydrophobicContact CG2-CD2 3.53Å; I504-F543 HydrophobicContact CG2-CE2 3.61Å; I504-F543 HydrophobicContact CG2-CG 3.99Å; I504-F543 HydrophobicContact CG2-CZ 4.13Å
505	N	96.3	Very high	90.2	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.118	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	142	173.2	173.9	-89.9	0	0	0	110.1	S486 F487 V489 E490 N507 Y508 F509	S486-N505 PolarHBondContact O-ND2 2.98Å; F487-N505 PolarHBondContact O-ND2 2.87Å; V489-N505 WeakPolarHBondContact O-CA 3.26Å; V489-N505 PolarHBondContact O-ND2 2.83Å; E490-N505 PolarHBondContact OE1-N 2.9Å; E490-N505 VanDerWaalsContact OE1-N 3.16Å; N505-N507 PolarHBondContact O-N 2.84Å; N505-N507 WeakPolarHBondContact OD1-CB 3.26Å; N505-N507 PolarHBondContact OD1-N 2.55Å; N505-Y508 PolarHBondContact O-N 3.33Å; N505-Y508 PolarHBondContact OD1-N 3.06Å; N505-F509 WeakPolarHBondContact O-CB 3.23Å; N505-F509 PolarHBondContact O-N 2.98Å
506	A	92.9	Very high	88.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-34.1	-175.7	0	0	0	0	0	114	L434 V489 M491 F509 L510	L434-A506 HydrophobicContact CD1-CB 3.91Å; V489-A506 HydrophobicContact CB-CB 3.67Å; V489-A506 HydrophobicContact CG1-CB 4.06Å; V489-A506 PolarHBondContact O-N 2.81Å; M491-A506 HydrophobicContact CE-CB 3.98Å; A506-F509 WeakPolarHBondContact O-CB 3.37Å; A506-F509 PolarHBondContact O-N 3.34Å; A506-L510 WeakPolarHBondContact O-CB 3.4Å; A506-L510 WeakPolarHBondContact O-CG 3.38Å; A506-L510 PolarHBondContact O-N 2.79Å
507	N	90.1	Very high	86	Confident	66 Å²	66	54 Å²	54	35%	0.353	29%	0.285	S	S	.	.	H	α-helix	trans	-68	-44.7	178.4	-65.3	-10.5	0	0	0	110.4	N505 F509 L510 D511	N505-N507 PolarHBondContact O-N 2.84Å; N505-N507 WeakPolarHBondContact OD1-CB 3.26Å; N505-N507 PolarHBondContact OD1-N 2.55Å; N507-F509 VanDerWaalsContact C-N 3.3Å; N507-F509 PolarHBondContact O-N 2.91Å; N507-L510 PolarHBondContact O-N 3.14Å; N507-D511 WeakPolarHBondContact O-CB 3.48Å; N507-D511 PolarHBondContact O-N 3.33Å
508	Y	91.4	Very high	84	Confident	130 Å²	130	57.8 Å²	57.8	51%	0.51	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-40.4	174.8	-178.3	-109.2	0	0	0	112.2	I504 N505 I512	I504-Y508 HydrophobicContact CD1-CD1 3.88Å; I504-Y508 HydrophobicContact CD1-CE1 4.31Å; I504-Y508 HydrophobicContact CG1-CD1 3.84Å; N505-Y508 PolarHBondContact O-N 3.33Å; N505-Y508 PolarHBondContact OD1-N 3.06Å; Y508-I512 HydrophobicContact CD1-CD1 3.71Å; Y508-I512 HydrophobicContact CD2-CD1 4.47Å; Y508-I512 HydrophobicContact CE1-CD1 3.26Å; Y508-I512 HydrophobicContact CE1-CG1 4.35Å; Y508-I512 HydrophobicContact CE2-CD1 4.09Å; Y508-I512 HydrophobicContact CE2-CG1 4.37Å; Y508-I512 HydrophobicContact CG-CD1 4.31Å; Y508-I512 VanDerWaalsContact CZ-CD1 3.47Å; Y508-I512 WeakPolarHBondContact O-CD1 3.46Å; Y508-I512 WeakPolarHBondContact O-CG1 3.28Å; Y508-I512 PolarHBondContact O-N 3.15Å; Y508-I512 VanDerWaalsContact O-N 3.16Å
509	F	91.1	Very high	82.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-50.3	173.3	170.6	-95.4	0	0	0	111.7	L434 V438 M491 I504 N505 A506 N507 D511 I512 T513 S536 T539 Y540	L434-F509 HydrophobicContact CD2-CD1 3.91Å; L434-F509 HydrophobicContact CD2-CE1 3.87Å; V438-F509 HydrophobicContact CG1-CE1 4.24Å; V438-F509 HydrophobicContact CG1-CZ 3.9Å; M491-F509 HydrophobicContact CE-CB 3.96Å; M491-F509 HydrophobicContact CE-CG 4.2Å; I504-F509 HydrophobicContact CD1-CB 3.95Å; I504-F509 HydrophobicContact CD1-CD2 4.29Å; I504-F509 HydrophobicContact CG1-CB 4.23Å; N505-F509 WeakPolarHBondContact O-CB 3.23Å; N505-F509 PolarHBondContact O-N 2.98Å; A506-F509 WeakPolarHBondContact O-CB 3.37Å; A506-F509 PolarHBondContact O-N 3.34Å; N507-F509 VanDerWaalsContact C-N 3.3Å; N507-F509 PolarHBondContact O-N 2.91Å; F509-D511 PolarHBondContact O-N 2.75Å; F509-I512 PolarHBondContact O-N 2.73Å; F509-T513 HydrophobicContact CE1-CG2 4.32Å; F509-T513 HydrophobicContact CE2-CG2 4.13Å; F509-T513 HydrophobicContact CZ-CG2 3.98Å; F509-T513 VanDerWaalsContact O-CG2 3.29Å; F509-T513 WeakPolarHBondContact O-CG2 3.47Å; F509-T513 PolarHBondContact O-N 3Å; F509-T513 PolarHBondContact O-OG1 3.15Å; F509-S536 WeakPolarHBondContact CZ-O 3.46Å; F509-T539 HydrophobicContact CD2-CG2 3.91Å; F509-T539 HydrophobicContact CE2-CG2 3.65Å; F509-Y540 AromaticContact CE2-CD2 3.98Å; F509-Y540 HydrophobicContact CE2-CD2 3.98Å; F509-Y540 AromaticContact CZ-CD2 3.96Å; F509-Y540 HydrophobicContact CZ-CD2 3.96Å
510	L	86.5	Confident	79.8	Confident	35 Å²	35	61.2 Å²	61.2	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-41.3	-179.2	-69.4	174	0	0	0	111.7	T433 A506 N507 I512 T513 S514	T433-L510 HydrophobicContact CG2-CD1 4.17Å; T433-L510 HydrophobicContact CG2-CD2 3.52Å; A506-L510 WeakPolarHBondContact O-CB 3.4Å; A506-L510 WeakPolarHBondContact O-CG 3.38Å; A506-L510 PolarHBondContact O-N 2.79Å; N507-L510 PolarHBondContact O-N 3.14Å; L510-I512 PolarHBondContact O-N 3.03Å; L510-T513 WeakPolarHBondContact CA-OG1 3.42Å; L510-T513 PolarHBondContact O-N 3.01Å; L510-T513 VanDerWaalsContact O-N 3.13Å; L510-T513 PolarHBondContact O-OG1 2.99Å; L510-S514 WeakPolarHBondContact O-CB 3.24Å; L510-S514 PolarHBondContact O-N 3.34Å; L510-S514 PolarHBondContact O-OG 3.3Å
511	D	84.9	Confident	77.4	Confident	96 Å²	96	68.4 Å²	68.4	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-56.3	-49.4	176.6	-71.5	-18.3	0	0	0	111.1	N507 F509 T513 S514 M515	N507-D511 WeakPolarHBondContact O-CB 3.48Å; N507-D511 PolarHBondContact O-N 3.33Å; F509-D511 PolarHBondContact O-N 2.75Å; D511-T513 VanDerWaalsContact C-N 3.28Å; D511-T513 PolarHBondContact O-N 3.12Å; D511-S514 PolarHBondContact O-N 2.74Å; D511-S514 PolarHBondContact O-OG 2.78Å; D511-M515 PolarHBondContact O-N 2.67Å
512	I	83	Confident	74.8	Confident	19 Å²	19	74.6 Å²	74.6	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-59.5	-41	178	-66.9	161.5	0	0	0	111.2	Y508 F509 L510 S514 F526	Y508-I512 HydrophobicContact CD1-CD1 3.71Å; Y508-I512 HydrophobicContact CD2-CD1 4.47Å; Y508-I512 HydrophobicContact CE1-CD1 3.26Å; Y508-I512 HydrophobicContact CE1-CG1 4.35Å; Y508-I512 HydrophobicContact CE2-CD1 4.09Å; Y508-I512 HydrophobicContact CE2-CG1 4.37Å; Y508-I512 HydrophobicContact CG-CD1 4.31Å; Y508-I512 VanDerWaalsContact CZ-CD1 3.47Å; Y508-I512 WeakPolarHBondContact O-CD1 3.46Å; Y508-I512 WeakPolarHBondContact O-CG1 3.28Å; Y508-I512 PolarHBondContact O-N 3.15Å; Y508-I512 VanDerWaalsContact O-N 3.16Å; F509-I512 PolarHBondContact O-N 2.73Å; L510-I512 PolarHBondContact O-N 3.03Å; I512-S514 VanDerWaalsContact C-N 3.33Å; I512-F526 HydrophobicContact CD1-CE2 3.94Å; I512-F526 HydrophobicContact CD1-CZ 4.35Å; I512-F526 HydrophobicContact CG2-CD2 4.16Å; I512-F526 HydrophobicContact CG2-CE2 4.25Å
513	T	80.3	Confident	72	Confident	21 Å²	21	78.3 Å²	78.3	13%	0.129	40%	0.401	C	S	.	.	H	α-helix	trans	-79.4	-17.8	-175.2	63.4	0	0	0	0	113.7	F509 L510 D511 S536 T539	F509-T513 HydrophobicContact CE1-CG2 4.32Å; F509-T513 HydrophobicContact CE2-CG2 4.13Å; F509-T513 HydrophobicContact CZ-CG2 3.98Å; F509-T513 VanDerWaalsContact O-CG2 3.29Å; F509-T513 WeakPolarHBondContact O-CG2 3.47Å; F509-T513 PolarHBondContact O-N 3Å; F509-T513 PolarHBondContact O-OG1 3.15Å; L510-T513 WeakPolarHBondContact CA-OG1 3.42Å; L510-T513 PolarHBondContact O-N 3.01Å; L510-T513 VanDerWaalsContact O-N 3.13Å; L510-T513 PolarHBondContact O-OG1 2.99Å; D511-T513 VanDerWaalsContact C-N 3.28Å; D511-T513 PolarHBondContact O-N 3.12Å; T513-S536 VanDerWaalsContact CB-OG 3.26Å; T513-S536 WeakPolarHBondContact CB-OG 3.27Å; T513-S536 PolarHBondContact OG1-OG 2.94Å; T513-T539 HydrophobicContact CG2-CG2 4.03Å
514	S	74.9	Confident	69.3	Low	91 Å²	91	82.8 Å²	82.8	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-83.4	-14	176.2	73	0	0	0	0	113.6	L510 D511 I512	L510-S514 WeakPolarHBondContact O-CB 3.24Å; L510-S514 PolarHBondContact O-N 3.34Å; L510-S514 PolarHBondContact O-OG 3.3Å; D511-S514 PolarHBondContact O-N 2.74Å; D511-S514 PolarHBondContact O-OG 2.78Å; I512-S514 VanDerWaalsContact C-N 3.33Å
515	M	60.6	Low	67.2	Low	99 Å²	99	86 Å²	86	49%	0.488	45%	0.448	S	S	.	.	S	Bend	trans	-67.5	136.6	177.9	-69.7	-164	163.4	0	0	110.7	D511 M520	D511-M515 PolarHBondContact O-N 2.67Å; M515-M520 HydrophobicContact CB-CG 4.36Å
516	K	55.2	Low	64.7	Low	132 Å²	132	87.4 Å²	87.4	57%	0.574	45%	0.453	S	S	*	.			trans	-62.8	144.6	172.5	-68.6	-177.1	179.3	-178.6	0	108.6	E518 D519	K516-E518 PolarHBondContact O-N 3.28Å; K516-D519 PolarHBondContact O-N 3.45Å
517	P	50.4	Low	62.1	Low	104 Å²	104	93 Å²	93	68%	0.675	49%	0.492	S	S	*	.	H	α-helix	trans	-51.5	-31.1	177.5	-26.2	33.2	0	0	0	113.2	D519 M520	P517-D519 VanDerWaalsContact C-N 3.28Å; P517-D519 PolarHBondContact O-N 3.46Å; P517-M520 PolarHBondContact O-N 3.05Å
518	E	51.1	Low	59.8	Low	157 Å²	157	93.9 Å²	93.9	73%	0.734	49%	0.493	S	S	*	.	H	α-helix	trans	-61.4	-30.7	177.9	-50.1	179.5	-129	0	0	113.4	K516	K516-E518 PolarHBondContact O-N 3.28Å
519	D	53.2	Low	57.3	Low	101 Å²	101	92.1 Å²	92.1	54%	0.54	50%	0.5	S	S	.	.	H	α-helix	trans	-88.7	-12.2	-177.9	-63.1	-43.1	0	0	0	112.5	K516 P517	K516-D519 PolarHBondContact O-N 3.45Å; P517-D519 VanDerWaalsContact C-N 3.28Å; P517-D519 PolarHBondContact O-N 3.46Å
520	M	49.2	Very low	54.8	Low	32 Å²	32	98.2 Å²	98.2	16%	0.158	54%	0.542	C	S	.	.	H	α-helix	trans	-80.6	-23.5	-175.4	-65	-165.3	66.4	0	0	114	M515 P517 N522 N523 F526 F528	M515-M520 HydrophobicContact CB-CG 4.36Å; P517-M520 PolarHBondContact O-N 3.05Å; M520-N522 PolarHBondContact O-N 3.35Å; M520-N522 VanDerWaalsContact O-N 3.07Å; M520-N523 PolarHBondContact O-N 3.5Å; M520-N523 VanDerWaalsContact O-N 3.12Å; M520-F526 HydrophobicContact CE-CB 3.73Å; M520-F528 HydrophobicContact CE-CD2 3.91Å; M520-F528 HydrophobicContact CE-CE2 3.45Å; M520-F528 VanDerWaalsContact CE-CE2 3.45Å; M520-F528 HydrophobicContact SD-CD2 3.99Å; M520-F528 HydrophobicContact SD-CE2 3.61Å
521	E	45.8	Very low	52.7	Low	175 Å²	175	99.9 Å²	99.9	82%	0.818	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-18.5	-177.1	-73.3	-165.8	159	0	0	113.8
522	N	42.6	Very low	51	Low	154 Å²	154	106.2 Å²	106.2	82%	0.824	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-9.2	178.7	-78.9	-33.3	0	0	0	114.8	M520	M520-N522 PolarHBondContact O-N 3.35Å; M520-N522 VanDerWaalsContact O-N 3.07Å
523	N	39.3	Very low	49.8	Very low	112 Å²	112	109.9 Å²	109.9	60%	0.599	60%	0.597	S	S	*	*			trans	-114.2	101.1	174.3	-93.1	-16	0	0	0	109.3	M520 V525	M520-N523 PolarHBondContact O-N 3.5Å; M520-N523 VanDerWaalsContact O-N 3.12Å; N523-V525 PolarHBondContact O-N 3.27Å
524	N	40.6	Very low	49.7	Very low	171 Å²	171	112.6 Å²	112.6	91%	0.914	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	30.8	177.6	-88.2	-23.8	0	0	0	115.4
525	V	51.5	Low	50.1	Low	90 Å²	90	111 Å²	111	55%	0.545	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.9	-20	-175.1	-166.2	0	0	0	0	112	N523	N523-V525 PolarHBondContact O-N 3.27Å
526	F	43.7	Very low	51.3	Low	51 Å²	51	107 Å²	107	22%	0.224	58%	0.58	C	S	.	*			trans	-146.8	111.6	-177	-62.4	-75.4	0	0	0	113	I512 M520	I512-F526 HydrophobicContact CD1-CE2 3.94Å; I512-F526 HydrophobicContact CD1-CZ 4.35Å; I512-F526 HydrophobicContact CG2-CD2 4.16Å; I512-F526 HydrophobicContact CG2-CE2 4.25Å; M520-F526 HydrophobicContact CE-CB 3.73Å
527	S	38.2	Very low	52.9	Low	117 Å²	117	101.2 Å²	101.2	82%	0.818	56%	0.556	S	S	*	*			trans	-100.9	106.6	172.7	170.1	0	0	0	0	109.3	S529	S527-S529 PolarHBondContact O-N 2.95Å
528	F	41.9	Very low	54.7	Low	85 Å²	85	97.2 Å²	97.2	37%	0.373	53%	0.531	S	S	.	.			trans	-74	120.8	175	-81.5	-89.9	0	0	0	111	M520 P535 A538 T539	M520-F528 HydrophobicContact CE-CD2 3.91Å; M520-F528 HydrophobicContact CE-CE2 3.45Å; M520-F528 VanDerWaalsContact CE-CE2 3.45Å; M520-F528 HydrophobicContact SD-CD2 3.99Å; M520-F528 HydrophobicContact SD-CE2 3.61Å; F528-P535 HydrophobicContact CE1-CB 4.29Å; F528-P535 HydrophobicContact CZ-CB 4.16Å; F528-A538 HydrophobicContact CD1-CB 4.04Å; F528-A538 HydrophobicContact CE1-CB 3.6Å; F528-T539 WeakPolarHBondContact CZ-OG1 3.41Å
529	S	39.2	Very low	56.6	Low	93 Å²	93	89.9 Å²	89.9	65%	0.65	50%	0.497	S	S	*	.			trans	-75	137	162.4	56.6	0	0	0	0	109.4	S527 S531	S527-S529 PolarHBondContact O-N 2.95Å; S529-S531 PolarHBondContact O-N 3.27Å
530	S	37.8	Very low	58.6	Low	127 Å²	127	85.1 Å²	85.1	89%	0.888	47%	0.472	S	S	*	.	S	Bend	trans	-65.7	40.3	-172.1	61.2	0	0	0	0	116.7
531	S	43.2	Very low	60.7	Low	70 Å²	70	84.4 Å²	84.4	49%	0.49	47%	0.468	S	S	.	.			trans	-83.3	140.9	169.4	-46.6	0	0	0	0	108.3	S529 E533	S529-S531 PolarHBondContact O-N 3.27Å; S531-E533 PolarHBondContact O-N 2.98Å
532	F	49	Very low	63	Low	229 Å²	229	80 Å²	80	100%	1.004	45%	0.447	S	S	*	.	S	Bend	trans	-60.1	30.8	178.9	-94	-97.6	0	0	0	115.3
533	E	58.8	Low	65.6	Low	97 Å²	97	73 Å²	73	45%	0.453	41%	0.41	S	S	.	.			trans	-92.4	138	-177.9	-68.5	178.7	178.7	0	0	110.5	S531 A538	S531-E533 PolarHBondContact O-N 2.98Å; E533-A538 HydrophobicContact CB-CB 4.44Å
534	D	77.3	Confident	68.3	Low	77 Å²	77	67.7 Å²	67.7	41%	0.412	38%	0.382	S	S	.	.			trans	-50.2	132.9	169.7	158.6	65.2	0	0	0	110.8	S536 T537 A538	D534-S536 PolarHBondContact O-N 3.21Å; D534-S536 VanDerWaalsContact O-N 3.16Å; D534-S536 WeakPolarHBondContact OD2-CB 3.29Å; D534-S536 PolarHBondContact OD2-N 3.35Å; D534-T537 WeakPolarHBondContact O-CB 3.23Å; D534-T537 PolarHBondContact O-N 3.48Å; D534-T537 PolarHBondContact OD2-N 2.84Å; D534-T537 PolarHBondContact OD2-OG1 3Å; D534-T537 VanDerWaalsContact OD2-OG1 3.07Å; D534-A538 PolarHBondContact O-N 3.43Å
535	P	83.1	Confident	71	Confident	58 Å²	58	67.1 Å²	67.1	38%	0.377	37%	0.367	S	S	.	.	H	α-helix	trans	-53.9	-36.5	-176.8	-28.1	34.9	0	0	0	113.8	F528 T539	F528-P535 HydrophobicContact CE1-CB 4.29Å; F528-P535 HydrophobicContact CZ-CB 4.16Å; P535-T539 WeakPolarHBondContact O-CB 3.36Å; P535-T539 PolarHBondContact O-N 3.3Å; P535-T539 PolarHBondContact O-OG1 2.63Å
536	S	86.8	Confident	73.2	Confident	16 Å²	16	64.9 Å²	64.9	11%	0.112	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-46.5	177.2	-54.1	0	0	0	0	111.4	F509 T513 D534 A538 T539 Y540	F509-S536 WeakPolarHBondContact CZ-O 3.46Å; T513-S536 VanDerWaalsContact CB-OG 3.26Å; T513-S536 WeakPolarHBondContact CB-OG 3.27Å; T513-S536 PolarHBondContact OG1-OG 2.94Å; D534-S536 PolarHBondContact O-N 3.21Å; D534-S536 VanDerWaalsContact O-N 3.16Å; D534-S536 WeakPolarHBondContact OD2-CB 3.29Å; D534-S536 PolarHBondContact OD2-N 3.35Å; S536-A538 PolarHBondContact O-N 3.17Å; S536-T539 PolarHBondContact O-N 3.28Å; S536-Y540 WeakPolarHBondContact O-CB 3.41Å; S536-Y540 PolarHBondContact O-N 3.01Å
537	T	88.8	Confident	75.7	Confident	10 Å²	10	62.4 Å²	62.4	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-47.9	175.5	-63.4	0	0	0	0	112	S441 P443 I444 D534 Y540 M541	S441-T537 WeakPolarHBondContact OG-CG2 3.44Å; P443-T537 HydrophobicContact CG-CG2 4.04Å; I444-T537 HydrophobicContact CG1-CG2 4.43Å; D534-T537 WeakPolarHBondContact O-CB 3.23Å; D534-T537 PolarHBondContact O-N 3.48Å; D534-T537 PolarHBondContact OD2-N 2.84Å; D534-T537 PolarHBondContact OD2-OG1 3Å; D534-T537 VanDerWaalsContact OD2-OG1 3.07Å; T537-Y540 PolarHBondContact O-N 2.98Å; T537-M541 WeakPolarHBondContact O-CB 3.19Å; T537-M541 WeakPolarHBondContact O-CG 3.41Å; T537-M541 PolarHBondContact O-N 3.28Å
538	A	88.4	Confident	78.5	Confident	20 Å²	20	58 Å²	58	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-38.3	-179.9	0	0	0	0	0	112.5	F528 E533 D534 S536 M541 Q542	F528-A538 HydrophobicContact CD1-CB 4.04Å; F528-A538 HydrophobicContact CE1-CB 3.6Å; E533-A538 HydrophobicContact CB-CB 4.44Å; D534-A538 PolarHBondContact O-N 3.43Å; S536-A538 PolarHBondContact O-N 3.17Å; A538-M541 WeakPolarHBondContact O-CB 3.32Å; A538-M541 PolarHBondContact O-N 2.82Å; A538-Q542 PolarHBondContact O-N 2.97Å
539	T	90.8	Very high	81.2	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-41.9	174.3	-56	0	0	0	0	111.3	F509 T513 F528 P535 S536 Q542 F543	F509-T539 HydrophobicContact CD2-CG2 3.91Å; F509-T539 HydrophobicContact CE2-CG2 3.65Å; T513-T539 HydrophobicContact CG2-CG2 4.03Å; F528-T539 WeakPolarHBondContact CZ-OG1 3.41Å; P535-T539 WeakPolarHBondContact O-CB 3.36Å; P535-T539 PolarHBondContact O-N 3.3Å; P535-T539 PolarHBondContact O-OG1 2.63Å; S536-T539 PolarHBondContact O-N 3.28Å; T539-Q542 WeakPolarHBondContact O-CB 3.2Å; T539-Q542 PolarHBondContact O-N 2.96Å; T539-F543 PolarHBondContact O-N 3.38Å
540	Y	94.5	Very high	83.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-40.5	177.5	-158.3	-86.6	0	0	0	112	H414 L434 V438 L439 I444 M491 F509 S536 T537 Q542 F543 L544	H414-Y540 PolarHBondContact CE1-OH 3.15Å; H414-Y540 AromaticContact NE2-CZ 3.86Å; H414-Y540 PolarHBondContact NE2-OH 2.99Å; L434-Y540 HydrophobicContact CD2-CE2 4.3Å; V438-Y540 HydrophobicContact CB-CD2 3.99Å; V438-Y540 HydrophobicContact CB-CG 3.94Å; V438-Y540 HydrophobicContact CG1-CD2 4.47Å; V438-Y540 HydrophobicContact CG1-CG 4.47Å; V438-Y540 HydrophobicContact CG2-CD2 3.48Å; V438-Y540 VanDerWaalsContact CG2-CD2 3.48Å; V438-Y540 HydrophobicContact CG2-CE2 3.75Å; V438-Y540 HydrophobicContact CG2-CG 3.94Å; L439-Y540 HydrophobicContact CD2-CE1 4.09Å; L439-Y540 HydrophobicContact CD2-CE2 4.27Å; L439-Y540 WeakPolarHBondContact CD2-OH 3.38Å; I444-Y540 HydrophobicContact CD1-CD1 3.76Å; I444-Y540 HydrophobicContact CD1-CG 4.41Å; I444-Y540 HydrophobicContact CG1-CD1 4.16Å; I444-Y540 HydrophobicContact CG2-CD1 3.95Å; I444-Y540 HydrophobicContact CG2-CE1 3.95Å; M491-Y540 HydrophobicContact SD-CD2 4.24Å; M491-Y540 HydrophobicContact SD-CE2 3.39Å; M491-Y540 WeakPolarHBondContact SD-CE2 3.49Å; F509-Y540 AromaticContact CE2-CD2 3.98Å; F509-Y540 HydrophobicContact CE2-CD2 3.98Å; F509-Y540 AromaticContact CZ-CD2 3.96Å; F509-Y540 HydrophobicContact CZ-CD2 3.96Å; S536-Y540 WeakPolarHBondContact O-CB 3.41Å; S536-Y540 PolarHBondContact O-N 3.01Å; T537-Y540 PolarHBondContact O-N 2.98Å; Y540-Q542 VanDerWaalsContact C-N 3.28Å; Y540-Q542 PolarHBondContact O-N 3.39Å; Y540-F543 WeakPolarHBondContact O-CB 3.33Å; Y540-F543 PolarHBondContact O-N 3.29Å; Y540-L544 HydrophobicContact CD1-CD1 3.87Å; Y540-L544 HydrophobicContact CD1-CG 3.94Å; Y540-L544 HydrophobicContact CE1-CD1 3.84Å; Y540-L544 HydrophobicContact CE1-CD2 3.95Å; Y540-L544 HydrophobicContact CE1-CG 3.87Å; Y540-L544 WeakPolarHBondContact O-CG 3.42Å; Y540-L544 PolarHBondContact O-N 2.99Å
541	M	94.3	Very high	86.7	Confident	18 Å²	18	56.1 Å²	56.1	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-42.5	172	-82.9	-59.8	-75.8	0	0	111.8	P443 I444 L447 T537 A538 L544 R545	P443-M541 HydrophobicContact CB-SD 4.44Å; I444-M541 HydrophobicContact CD1-CB 4.27Å; I444-M541 HydrophobicContact CD1-CG 3.37Å; I444-M541 HydrophobicContact CD1-SD 3.29Å; I444-M541 WeakPolarHBondContact CD1-SD 3.11Å; L447-M541 HydrophobicContact CB-SD 4.46Å; L447-M541 HydrophobicContact CD2-CE 3.8Å; L447-M541 HydrophobicContact CD2-SD 3.78Å; T537-M541 WeakPolarHBondContact O-CB 3.19Å; T537-M541 WeakPolarHBondContact O-CG 3.41Å; T537-M541 PolarHBondContact O-N 3.28Å; A538-M541 WeakPolarHBondContact O-CB 3.32Å; A538-M541 PolarHBondContact O-N 2.82Å; M541-L544 PolarHBondContact O-N 2.81Å; M541-R545 WeakPolarHBondContact O-CB 3.46Å; M541-R545 WeakPolarHBondContact O-CG 3.28Å; M541-R545 PolarHBondContact O-N 3.27Å
542	Q	94	Very high	89.1	Confident	81 Å²	81	57.1 Å²	57.1	38%	0.379	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176.5	-177.1	174.2	-13.6	0	0	111.6	A538 T539 Y540 L544 R545 E546	A538-Q542 PolarHBondContact O-N 2.97Å; T539-Q542 WeakPolarHBondContact O-CB 3.2Å; T539-Q542 PolarHBondContact O-N 2.96Å; Y540-Q542 VanDerWaalsContact C-N 3.28Å; Y540-Q542 PolarHBondContact O-N 3.39Å; Q542-L544 VanDerWaalsContact C-N 3.35Å; Q542-L544 PolarHBondContact O-N 2.86Å; Q542-R545 PolarHBondContact O-N 3.42Å; Q542-E546 VanDerWaalsContact O-CB 3.24Å; Q542-E546 WeakPolarHBondContact O-CB 3.22Å; Q542-E546 PolarHBondContact O-N 3.1Å
543	F	96.2	Very high	91.3	Very high	9 Å²	9	50 Å²	50	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-54.4	-49.2	173.2	165.3	-106.3	0	0	0	111.7	M491 I493 H502 I504 T539 Y540 E546 G547	M491-F543 HydrophobicContact CB-CE1 4.01Å; M491-F543 HydrophobicContact CB-CZ 3.94Å; I493-F543 HydrophobicContact CD1-CE1 4.03Å; I493-F543 HydrophobicContact CD1-CZ 4.15Å; I493-F543 HydrophobicContact CG1-CE1 4.12Å; I493-F543 HydrophobicContact CG1-CE2 4.32Å; I493-F543 HydrophobicContact CG1-CZ 3.78Å; H502-F543 AromaticContact CD2-CD2 3.5Å; H502-F543 AromaticContact CD2-CE2 3.76Å; H502-F543 PolarHBondContact CD2-O 3.36Å; H502-F543 AromaticContact NE2-CD2 3.57Å; I504-F543 HydrophobicContact CB-CD2 4.23Å; I504-F543 HydrophobicContact CB-CE2 4.26Å; I504-F543 HydrophobicContact CG2-CD1 4.47Å; I504-F543 HydrophobicContact CG2-CD2 3.53Å; I504-F543 HydrophobicContact CG2-CE2 3.61Å; I504-F543 HydrophobicContact CG2-CG 3.99Å; I504-F543 HydrophobicContact CG2-CZ 4.13Å; T539-F543 PolarHBondContact O-N 3.38Å; Y540-F543 WeakPolarHBondContact O-CB 3.33Å; Y540-F543 PolarHBondContact O-N 3.29Å; F543-E546 PolarHBondContact O-N 3Å; F543-G547 PolarHBondContact O-N 2.99Å
544	L	97.3	Very high	92.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-45.6	178.5	-65.4	-178.9	0	0	0	112.5	I444 L447 L448 F452 I493 Y540 M541 Q542 E546 G547 L548	I444-L544 HydrophobicContact CD1-CD1 4.29Å; I444-L544 HydrophobicContact CG2-CD1 4.2Å; L447-L544 HydrophobicContact CD2-CB 3.68Å; L447-L544 HydrophobicContact CD2-CD1 3.79Å; L447-L544 HydrophobicContact CD2-CG 4.41Å; L447-L544 HydrophobicContact CG-CD1 4.31Å; L448-L544 HydrophobicContact CD2-CD1 3.98Å; L448-L544 HydrophobicContact CD2-CD2 3.98Å; L448-L544 HydrophobicContact CG-CD1 4.23Å; F452-L544 HydrophobicContact CE2-CB 4.29Å; F452-L544 HydrophobicContact CE2-CD2 4.25Å; F452-L544 HydrophobicContact CZ-CB 4.37Å; F452-L544 HydrophobicContact CZ-CD2 4.32Å; I493-L544 HydrophobicContact CD1-CD2 3.9Å; Y540-L544 HydrophobicContact CD1-CD1 3.87Å; Y540-L544 HydrophobicContact CD1-CG 3.94Å; Y540-L544 HydrophobicContact CE1-CD1 3.84Å; Y540-L544 HydrophobicContact CE1-CD2 3.95Å; Y540-L544 HydrophobicContact CE1-CG 3.87Å; Y540-L544 WeakPolarHBondContact O-CG 3.42Å; Y540-L544 PolarHBondContact O-N 2.99Å; M541-L544 PolarHBondContact O-N 2.81Å; Q542-L544 VanDerWaalsContact C-N 3.35Å; Q542-L544 PolarHBondContact O-N 2.86Å; L544-E546 PolarHBondContact O-N 2.98Å; L544-G547 PolarHBondContact O-N 3Å; L544-L548 PolarHBondContact O-N 3.39Å
545	R	96.9	Very high	93.4	Very high	159 Å²	159	48.7 Å²	48.7	60%	0.6	23%	0.234	S	C	*	.	H	α-helix	trans	-64.3	-39.8	179.3	-75.8	177.4	174.8	165.7	2.6	112.4	M541 Q542 G547 L548 R549	M541-R545 WeakPolarHBondContact O-CB 3.46Å; M541-R545 WeakPolarHBondContact O-CG 3.28Å; M541-R545 PolarHBondContact O-N 3.27Å; Q542-R545 PolarHBondContact O-N 3.42Å; R545-G547 VanDerWaalsContact C-N 3.33Å; R545-L548 PolarHBondContact O-N 3.1Å; R545-R549 WeakPolarHBondContact O-CB 3.44Å; R545-R549 PolarHBondContact O-N 2.87Å
546	E	96.7	Very high	92.7	Very high	42 Å²	42	53 Å²	53	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-39.4	175	179.8	62.7	-175.9	0	0	111.1	Q542 F543 L544 L548 R549 R550	Q542-E546 VanDerWaalsContact O-CB 3.24Å; Q542-E546 WeakPolarHBondContact O-CB 3.22Å; Q542-E546 PolarHBondContact O-N 3.1Å; F543-E546 PolarHBondContact O-N 3Å; L544-E546 PolarHBondContact O-N 2.98Å; E546-L548 PolarHBondContact O-N 2.78Å; E546-R549 VanDerWaalsContact CD-NH2 3.29Å; E546-R549 PolarHBondContact O-N 3.06Å; E546-R549 IonicContact OE1-CZ 3.59Å; E546-R549 IonicContact OE1-NE 3.75Å; E546-R549 IonicContact OE1-NH2 3.57Å; E546-R549 PolarHBondContact OE1-NH2 3.41Å; E546-R549 IonicContact OE2-CZ 3.35Å; E546-R549 IonicContact OE2-NE 2.73Å; E546-R549 PolarHBondContact OE2-NE 3.36Å; E546-R549 IonicContact OE2-NH2 2.72Å; E546-R549 PolarHBondContact OE2-NH2 3.4Å; E546-R549 VanDerWaalsContact OE2-NH2 3.15Å; E546-R550 WeakPolarHBondContact O-CG 3.42Å; E546-R550 PolarHBondContact O-N 3.14Å; E546-R550 IonicContact OE1-CZ 3.5Å; E546-R550 IonicContact OE1-NE 3.76Å; E546-R550 PolarHBondContact OE1-NE 2.74Å; E546-R550 IonicContact OE1-NH2 2.68Å; E546-R550 PolarHBondContact OE1-NH2 2.8Å
547	G	97.3	Very high	91.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.5	-47	170.6	0	0	0	0	0	113	F543 L544 R545 R550 G551	F543-G547 PolarHBondContact O-N 2.99Å; L544-G547 PolarHBondContact O-N 3Å; R545-G547 VanDerWaalsContact C-N 3.33Å; G547-R550 PolarHBondContact O-N 2.94Å; G547-G551 PolarHBondContact O-N 3.37Å
548	L	97	Very high	91.5	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-46.6	174.7	-72	165.2	0	0	0	111.8	L412 L447 F452 L544 R545 E546 R550 G551 L552	L412-L548 HydrophobicContact CD1-CD2 4.02Å; L447-L548 HydrophobicContact CD1-CD1 4.13Å; F452-L548 HydrophobicContact CE1-CD2 4.06Å; F452-L548 HydrophobicContact CE1-CG 4.25Å; F452-L548 HydrophobicContact CE2-CD1 4.14Å; F452-L548 HydrophobicContact CE2-CD2 4.27Å; F452-L548 HydrophobicContact CE2-CG 4.15Å; F452-L548 HydrophobicContact CZ-CD1 4.06Å; F452-L548 HydrophobicContact CZ-CD2 3.78Å; F452-L548 HydrophobicContact CZ-CG 3.58Å; L544-L548 PolarHBondContact O-N 3.39Å; R545-L548 PolarHBondContact O-N 3.1Å; E546-L548 PolarHBondContact O-N 2.78Å; L548-R550 VanDerWaalsContact C-N 3.27Å; L548-R550 PolarHBondContact O-N 3.18Å; L548-G551 PolarHBondContact O-N 2.87Å; L548-L552 HydrophobicContact CB-CD1 4.07Å; L548-L552 HydrophobicContact CB-CG 4.39Å; L548-L552 HydrophobicContact CD2-CD1 4.2Å; L548-L552 HydrophobicContact CD2-CD2 4.33Å; L548-L552 HydrophobicContact CD2-CG 4.2Å; L548-L552 VanDerWaalsContact O-CB 3.28Å; L548-L552 WeakPolarHBondContact O-CB 3.3Å; L548-L552 VanDerWaalsContact O-CG 3.22Å; L548-L552 WeakPolarHBondContact O-CG 3.4Å; L548-L552 PolarHBondContact O-N 3.45Å
549	R	97	Very high	91.7	Very high	156 Å²	156	66.5 Å²	66.5	59%	0.589	33%	0.325	S	S	*	.	H	α-helix	trans	-59.2	-38.6	-179.7	-168.1	-172.9	68.5	78.9	-1.6	112.2	R545 E546 P553	R545-R549 WeakPolarHBondContact O-CB 3.44Å; R545-R549 PolarHBondContact O-N 2.87Å; E546-R549 VanDerWaalsContact CD-NH2 3.29Å; E546-R549 PolarHBondContact O-N 3.06Å; E546-R549 IonicContact OE1-CZ 3.59Å; E546-R549 IonicContact OE1-NE 3.75Å; E546-R549 IonicContact OE1-NH2 3.57Å; E546-R549 PolarHBondContact OE1-NH2 3.41Å; E546-R549 IonicContact OE2-CZ 3.35Å; E546-R549 IonicContact OE2-NE 2.73Å; E546-R549 PolarHBondContact OE2-NE 3.36Å; E546-R549 IonicContact OE2-NH2 2.72Å; E546-R549 PolarHBondContact OE2-NH2 3.4Å; E546-R549 VanDerWaalsContact OE2-NH2 3.15Å; R549-P553 WeakPolarHBondContact O-CD 3.49Å
550	R	96.3	Very high	91.8	Very high	110 Å²	110	70 Å²	70	42%	0.415	34%	0.342	S	S	.	.	H	α-helix	trans	-79.4	-40.3	177.5	-67.3	-178.5	-172.2	-163.3	5.7	113	V501 E546 G547 L548	V501-R550 HydrophobicContact CB-CB 4.41Å; V501-R550 WeakPolarHBondContact O-CD 3.26Å; E546-R550 WeakPolarHBondContact O-CG 3.42Å; E546-R550 PolarHBondContact O-N 3.14Å; E546-R550 IonicContact OE1-CZ 3.5Å; E546-R550 IonicContact OE1-NE 3.76Å; E546-R550 PolarHBondContact OE1-NE 2.74Å; E546-R550 IonicContact OE1-NH2 2.68Å; E546-R550 PolarHBondContact OE1-NH2 2.8Å; G547-R550 PolarHBondContact O-N 2.94Å; L548-R550 VanDerWaalsContact C-N 3.27Å; L548-R550 PolarHBondContact O-N 3.18Å
551	G	96.3	Very high	91.6	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-84.8	-39.4	-170.8	0	0	0	0	0	114.7	G547 L548 L554 L555	G547-G551 PolarHBondContact O-N 3.37Å; L548-G551 PolarHBondContact O-N 2.87Å; G551-L554 WeakPolarHBondContact O-CA 3.33Å; G551-L554 WeakPolarHBondContact O-CB 3.44Å; G551-L554 PolarHBondContact O-N 3.4Å; G551-L555 PolarHBondContact O-N 2.83Å
552	L	94.9	Very high	91.4	Very high	91 Å²	91	77.6 Å²	77.6	48%	0.476	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-57.7	-41.5	-175.8	-70.6	172.7	0	0	0	113.7	L548 L554 L555	L548-L552 HydrophobicContact CB-CD1 4.07Å; L548-L552 HydrophobicContact CB-CG 4.39Å; L548-L552 HydrophobicContact CD2-CD1 4.2Å; L548-L552 HydrophobicContact CD2-CD2 4.33Å; L548-L552 HydrophobicContact CD2-CG 4.2Å; L548-L552 VanDerWaalsContact O-CB 3.28Å; L548-L552 WeakPolarHBondContact O-CB 3.3Å; L548-L552 VanDerWaalsContact O-CG 3.22Å; L548-L552 WeakPolarHBondContact O-CG 3.4Å; L548-L552 PolarHBondContact O-N 3.45Å; L552-L554 PolarHBondContact O-N 3.01Å; L552-L555 HydrophobicContact CD2-CD1 4.13Å; L552-L555 PolarHBondContact O-N 3.43Å
553	P	94.2	Very high	91.3	Very high	80 Å²	80	77.4 Å²	77.4	52%	0.519	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-61.9	-28.5	174.9	-23.5	35.4	0	0	0	113.7	R549	R549-P553 WeakPolarHBondContact O-CD 3.49Å
554	L	93.3	Very high	90.9	Very high	107 Å²	107	82.3 Å²	82.3	56%	0.56	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-87.2	-8.7	-177.5	-56.8	175.6	0	0	0	113.2	L495 V501 G551 L552 Q556	L495-L554 HydrophobicContact CD1-CB 3.82Å; L495-L554 HydrophobicContact CD1-CD1 4.1Å; L495-L554 HydrophobicContact CD2-CB 3.93Å; V501-L554 HydrophobicContact CG1-CD1 3.87Å; G551-L554 WeakPolarHBondContact O-CA 3.33Å; G551-L554 WeakPolarHBondContact O-CB 3.44Å; G551-L554 PolarHBondContact O-N 3.4Å; L552-L554 PolarHBondContact O-N 3.01Å; L554-Q556 VanDerWaalsContact C-N 3.33Å
555	L	87.5	Confident	90.4	Very high	38 Å²	38	88.6 Å²	88.6	20%	0.199	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-81.2	-14.9	172.1	-75.9	174.8	0	0	0	112.9	L412 L495 P496 G551 L552	L412-L555 HydrophobicContact CD2-CD1 3.65Å; L412-L555 HydrophobicContact CD2-CD2 4.14Å; L412-L555 HydrophobicContact CD2-CG 3.83Å; L412-L555 HydrophobicContact CG-CD1 3.84Å; L495-L555 HydrophobicContact CD2-CD2 3.78Å; L495-L555 HydrophobicContact CD2-CG 3.88Å; P496-L555 HydrophobicContact CG-CD2 3.71Å; G551-L555 PolarHBondContact O-N 2.83Å; L552-L555 HydrophobicContact CD2-CD1 4.13Å; L552-L555 PolarHBondContact O-N 3.43Å
556	Q	69.5	Low	89.9	Confident	150 Å²	150	82.8 Å²	82.8	70%	0.701	42%	0.421	S	S	*	.			trans	-71	138.8	178.2	-62.9	-171.7	-4.9	0	0	109.7	L554	L554-Q556 VanDerWaalsContact C-N 3.33Å
557	P	58.9	Low	89.3	Confident	195 Å²	195	86.5 Å²	86.5	100%	1.266	44%	0.441	S	S	*	.			trans	-63.6	0	-170.5	24.8	-33.3	0	0	0	114.8

Retrieved 557 of 557 residues in 173.7 ms (Link to these results)

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