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7-dehydrocholesterol reductase

Catalyzes the last step of the cholesterol synthesis pathway, which transforms cholesta-5,7-dien-3beta-ol (7-dehydrocholesterol,7-DHC) into cholesterol by reducing the C7-C8 double bond of its sterol core. Can also metabolize cholesta-5,7,24-trien-3beta-ol (7-dehydrodemosterol, 7-DHD) to desmosterol, which is then metabolized by the Delta(24)-sterol reductase (DHCR24) to cholesterol. Modulates ferroptosis (a form of regulated cell death driven by iron-dependent lipid peroxidation) through the metabolic breakdown of the anti-ferroptotic metabolites 7-DHC and 7-DHD which, when accumulated, divert the propagation of peroxyl radical-mediated damage from phospholipid components to its sterol core, protecting plasma and mitochondrial membranes from phospholipid autoxidation. Catalyzes the reduction of the C14-unsaturated bond of lanosterol, as part of the metabolic pathway leading to cholesterol biosynthesis.

AlphaFold DB , UniProt , Accession X5DRD7, Species HUMAN (Homo sapiens, Human), Gene DHCR7, Length 335 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	33.6	Very low	241 Å²	241	151.8 Å²	151.8	100%	1.187	84%	0.843	S	S	*	*				0	93.3	0	-64	-179.9	-143.2	0	0	106.4
2	A	32	Very low	33.7	Very low	105 Å²	105	148 Å²	148	87%	0.868	85%	0.846	S	S	*	*				87.3	111.8	92.4	0	0	0	0	0	111.5
3	A	32.5	Very low	33.5	Very low	94 Å²	94	152.1 Å²	152.1	78%	0.777	85%	0.848	S	S	*	*			trans	-66.7	162	179.6	0	0	0	0	0	113.6
4	K	30.7	Very low	33.2	Very low	216 Å²	216	149 Å²	149	94%	0.939	84%	0.842	S	S	*	*			trans	-170.3	121.9	132	-103.7	166.2	-173.3	-175.5	0	111.3
5	S	34.6	Very low	33.6	Very low	114 Å²	114	149.8 Å²	149.8	80%	0.797	84%	0.842	S	S	*	*			trans	-131.2	131.8	163.4	58.3	0	0	0	0	107.8
6	Q	32.3	Very low	33.7	Very low	188 Å²	188	150.9 Å²	150.9	88%	0.879	85%	0.845	S	S	*	*			trans	-175.6	161.6	160.1	-101.2	-165	-2.3	0	0	108.9
7	P	42.6	Very low	33.7	Very low	95 Å²	95	146.1 Å²	146.1	62%	0.617	84%	0.837	S	S	*	*			cis	-139	173.2	-40.4	34.6	-16.3	0	0	0	112.5
8	N	27.8	Very low	33.8	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	84%	0.839	S	S	*	*				-176.5	114	126.7	-94.6	-16.9	0	0	0	115
9	I	36.4	Very low	33.7	Very low	144 Å²	144	145.2 Å²	145.2	74%	0.738	84%	0.837	S	S	*	*			trans	56	116.4	135.7	-46	168.3	0	0	0	119.7
10	P	31.2	Very low	33.9	Very low	127 Å²	127	144.5 Å²	144.5	83%	0.825	83%	0.831	S	S	*	*			trans	-107.2	152.6	148.5	11.4	9.4	0	0	0	113.3
11	K	31.4	Very low	33.9	Very low	205 Å²	205	144.4 Å²	144.4	89%	0.891	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-60.4	152.2	-170.2	-69.7	167.3	172	174.8	0	115.2
12	A	35	Very low	33.9	Very low	106 Å²	106	143.4 Å²	143.4	88%	0.876	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-49	131.8	174.5	0	0	0	0	0	113.6
13	K	31.9	Very low	34	Very low	201 Å²	201	143.9 Å²	143.9	87%	0.874	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-96.8	129.7	160.2	-94.3	-177.3	174.2	-179.6	0	108.8
14	S	28.8	Very low	34.2	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57.5	136.3	177.1	50.3	0	0	0	0	112	D16	S14-D16 PolarHBondContact O-N 3.18Å
15	L	38.7	Very low	34.7	Very low	161 Å²	161	137 Å²	137	84%	0.843	78%	0.781	S	S	*	*			trans	-64.3	113.6	159.1	-77.8	92.6	0	0	0	107.9
16	D	35.5	Very low	35.2	Very low	167 Å²	167	139 Å²	139	89%	0.893	78%	0.778	S	S	*	*			trans	-163.4	98.1	151.5	-90.2	-32.4	0	0	0	107.5	S14	S14-D16 PolarHBondContact O-N 3.18Å
17	G	33.5	Very low	35.9	Very low	69 Å²	69	132 Å²	132	71%	0.711	76%	0.756	S	S	*	*			trans	168.8	42.5	-174.9	0	0	0	0	0	113.2
18	V	35.9	Very low	36.5	Very low	144 Å²	144	135.6 Å²	135.6	87%	0.873	77%	0.765	S	S	*	*			trans	-114.6	69.7	165	-174.7	0	0	0	0	107	N20	V18-N20 PolarHBondContact O-N 2.9Å
19	T	32.8	Very low	38.1	Very low	131 Å²	131	133.4 Å²	133.4	80%	0.804	75%	0.746	S	S	*	*			trans	-87.7	103.2	169.6	40.4	0	0	0	0	109.2	D21	T19-D21 PolarHBondContact O-N 2.79Å
20	N	37.6	Very low	39.7	Very low	132 Å²	132	128.1 Å²	128.1	71%	0.706	73%	0.727	S	S	*	*			trans	42.3	69.9	147.7	-73.7	-14.7	0	0	0	118.9	V18 R22	V18-N20 PolarHBondContact O-N 2.9Å; N20-R22 VanDerWaalsContact C-N 3.28Å
21	D	33.3	Very low	41.8	Very low	143 Å²	143	122.5 Å²	122.5	77%	0.765	69%	0.69	S	S	*	*			trans	-87	5.5	161.5	-123	-9.4	0	0	0	113.2	T19	T19-D21 PolarHBondContact O-N 2.79Å
22	R	36.6	Very low	43.8	Very low	220 Å²	220	114.6 Å²	114.6	83%	0.83	66%	0.663	S	S	*	*	S	Bend	trans	-84.7	-10.9	-176.5	-78.5	-173.9	177.2	178.8	0.1	115	N20	N20-R22 VanDerWaalsContact C-N 3.28Å
23	T	35	Very low	45.5	Very low	114 Å²	114	114.3 Å²	114.3	70%	0.699	64%	0.639	S	S	*	*	S	Bend	trans	-94.2	-11	180	36.8	0	0	0	0	113.8
24	A	35.8	Very low	47.7	Very low	79 Å²	79	113.1 Å²	113.1	65%	0.653	64%	0.636	S	S	*	*	S	Bend	trans	-96.5	-8.3	-174.7	0	0	0	0	0	115.1
25	S	41.1	Very low	50.4	Low	88 Å²	88	109.7 Å²	109.7	62%	0.615	61%	0.611	S	S	*	*	S	Bend	trans	-107.9	-2.3	-173.6	64.1	0	0	0	0	115.7	G27	S25-G27 PolarHBondContact O-N 3.4Å
26	Q	46	Very low	52.8	Low	154 Å²	154	105.9 Å²	105.9	72%	0.72	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-3.6	-178.6	-95.3	-179.3	-27.4	0	0	114.8
27	G	46.2	Very low	55.5	Low	41 Å²	41	108 Å²	108	42%	0.423	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.1	14.4	-167.4	0	0	0	0	0	117.7	S25 W33	S25-G27 PolarHBondContact O-N 3.4Å; G27-W33 VanDerWaalsContact C-CH2 3.41Å; G27-W33 WeakPolarHBondContact O-CZ2 3.43Å; G27-W33 PolarHBondContact O-NE1 3.09Å
28	Q	55.8	Low	58.3	Low	172 Å²	172	112 Å²	112	80%	0.804	59%	0.585	S	S	*	*	S	Bend	trans	-120.5	-10.5	-172.1	-69.9	-166.1	-15.7	0	0	117.1	W33	Q28-W33 VanDerWaalsContact C-CZ2 3.45Å
29	W	62.6	Low	60.9	Low	94 Å²	94	106.7 Å²	106.7	36%	0.356	55%	0.554	S	S	.	*	S	Bend	trans	-102	126.1	-174.2	-171.6	89.8	0	0	0	114.7	W33 P136 K210 F225 C298	W29-W33 VanDerWaalsContact N-CZ2 3.29Å; W29-W33 WeakPolarHBondContact O-CH2 3.39Å; W29-W33 WeakPolarHBondContact O-CZ2 3.41Å; W29-P136 HydrophobicContact CD2-CG 3.99Å; W29-P136 HydrophobicContact CE3-CB 4.43Å; W29-P136 HydrophobicContact CE3-CG 3.17Å; W29-P136 HydrophobicContact CH2-CG 3.79Å; W29-P136 VanDerWaalsContact CZ3-CD 3.42Å; W29-P136 HydrophobicContact CZ3-CG 3.08Å; W29-K210 WeakPolarHBondContact O-CE 3.42Å; W29-K210 PolarHBondContact O-NZ 3.49Å; W29-F225 AromaticContact CH2-CE1 3.74Å; W29-F225 HydrophobicContact CH2-CE1 3.74Å; W29-F225 AromaticContact CH2-CE2 3.95Å; W29-F225 HydrophobicContact CH2-CE2 3.95Å; W29-F225 AromaticContact CH2-CZ 3.45Å; W29-F225 HydrophobicContact CH2-CZ 3.45Å; W29-F225 VanDerWaalsContact CH2-CZ 3.45Å; W29-F225 HydrophobicContact CZ3-CD1 4.45Å; W29-F225 HydrophobicContact CZ3-CD2 4.4Å; W29-F225 HydrophobicContact CZ3-CE1 4.1Å; W29-F225 HydrophobicContact CZ3-CE2 4.06Å; W29-F225 AromaticContact CZ3-CZ 3.93Å; W29-F225 HydrophobicContact CZ3-CZ 3.93Å; W29-C298 WeakPolarHBondContact CH2-O 3.22Å; W29-C298 WeakPolarHBondContact CZ2-O 3.41Å
30	G	69.1	Low	63.8	Low	34 Å²	34	101.8 Å²	101.8	35%	0.351	52%	0.523	S	S	.	.	S	Bend	trans	103.4	-153.3	173.9	0	0	0	0	0	114.9
31	R	74.5	Confident	66.5	Low	9 Å²	9	97.6 Å²	97.6	3%	0.034	51%	0.506	C	S	.	.	S	Bend	trans	-55.1	158.2	178.3	61.7	170.3	-86.7	-174.5	-12.3	114.5	K210 T212 Y217 N218 M221 G222	R31-K210 HydrophobicContact CG-CD 3.96Å; R31-K210 PolarHBondContact O-NZ 2.95Å; R31-T212 VanDerWaalsContact NH2-CG2 3.34Å; R31-Y217 VanDerWaalsContact CZ-CE1 3.46Å; R31-Y217 PolarHBondContact NH1-O 3.31Å; R31-N218 PolarHBondContact NH2-OD1 2.91Å; R31-M221 PolarHBondContact NH1-O 3.27Å; R31-G222 VanDerWaalsContact NH1-C 3.35Å; R31-G222 PolarHBondContact NH1-O 3.15Å
32	A	74.4	Confident	69.4	Low	39 Å²	39	92.6 Å²	92.6	32%	0.322	48%	0.483	S	S	.	.			trans	-61.4	148.6	-178.8	0	0	0	0	0	113.1	T212 Y217	A32-T212 WeakPolarHBondContact O-CG2 3.33Å; A32-Y217 WeakPolarHBondContact CB-OH 3.33Å; A32-Y217 PolarHBondContact N-OH 3.37Å
33	W	70.4	Confident	72.2	Confident	100 Å²	100	82.6 Å²	82.6	38%	0.379	45%	0.446	S	S	.	.	S	Bend	trans	-105.2	-40.4	-170.5	-38.7	82.6	0	0	0	111.3	G27 Q28 W29 K210 T212	G27-W33 VanDerWaalsContact C-CH2 3.41Å; G27-W33 WeakPolarHBondContact O-CZ2 3.43Å; G27-W33 PolarHBondContact O-NE1 3.09Å; Q28-W33 VanDerWaalsContact C-CZ2 3.45Å; W29-W33 VanDerWaalsContact N-CZ2 3.29Å; W29-W33 WeakPolarHBondContact O-CH2 3.39Å; W29-W33 WeakPolarHBondContact O-CZ2 3.41Å; W33-K210 HydrophobicContact CE3-CD 4.07Å; W33-K210 HydrophobicContact CH2-CD 4.09Å; W33-K210 HydrophobicContact CZ3-CD 3.71Å; W33-K210 HydrophobicContact CZ3-CG 4.22Å; W33-K210 VanDerWaalsContact CZ3-NZ 3.33Å; W33-T212 WeakPolarHBondContact O-CB 3.2Å; W33-T212 WeakPolarHBondContact O-CG2 3.4Å
34	E	78.8	Confident	75	Confident	176 Å²	176	80 Å²	80	82%	0.822	43%	0.427	S	S	*	.	S	Bend	trans	-99.3	129	170.2	-64	-174.9	174.5	0	0	107.8
35	V	84.7	Confident	77.9	Confident	37 Å²	37	81.3 Å²	81.3	22%	0.224	42%	0.418	C	S	.	.			trans	-97.4	101	178.6	-172.3	0	0	0	0	107.1	L40 T212 N214 Y217	V35-L40 HydrophobicContact CG1-CB 3.88Å; V35-T212 HydrophobicContact CG2-CG2 4.25Å; V35-T212 WeakPolarHBondContact CG2-OG1 3.37Å; V35-N214 HydrophobicContact CB-CB 4.43Å; V35-N214 HydrophobicContact CG2-CB 4.07Å; V35-Y217 HydrophobicContact CB-CG 4.37Å; V35-Y217 HydrophobicContact CG1-CD2 3.84Å; V35-Y217 HydrophobicContact CG1-CG 3.92Å; V35-Y217 HydrophobicContact CG2-CD1 3.37Å; V35-Y217 HydrophobicContact CG2-CD2 4.06Å; V35-Y217 HydrophobicContact CG2-CE1 3.99Å; V35-Y217 HydrophobicContact CG2-CG 3.47Å; V35-Y217 VanDerWaalsContact CG2-CG 3.47Å
36	D	89.9	Confident	80.5	Confident	81 Å²	81	80.6 Å²	80.6	43%	0.433	41%	0.408	S	S	.	.			trans	-69.3	162.8	170.9	71.1	-85.6	0	0	0	110.7	F38 S39 L40	D36-F38 VanDerWaalsContact C-N 3.27Å; D36-F38 PolarHBondContact O-N 3.02Å; D36-F38 WeakPolarHBondContact OD2-CA 3.12Å; D36-F38 VanDerWaalsContact OD2-CB 3.22Å; D36-F38 WeakPolarHBondContact OD2-CB 3.39Å; D36-F38 PolarHBondContact OD2-N 3.08Å; D36-S39 PolarHBondContact O-N 2.91Å; D36-S39 VanDerWaalsContact OD1-CB 3.22Å; D36-S39 WeakPolarHBondContact OD1-CB 3.46Å; D36-S39 PolarHBondContact OD1-OG 2.9Å; D36-S39 PolarHBondContact OD2-N 3.37Å; D36-L40 PolarHBondContact O-N 3.29Å
37	W	91.3	Very high	82.9	Confident	210 Å²	210	74.4 Å²	74.4	80%	0.795	38%	0.379	S	S	*	.	H	α-helix	trans	-60.1	-36.2	-177.1	178.3	-101	0	0	0	113.1	L40 A41	W37-L40 PolarHBondContact O-N 2.83Å; W37-A41 VanDerWaalsContact O-CB 3.3Å; W37-A41 WeakPolarHBondContact O-CB 3.33Å; W37-A41 PolarHBondContact O-N 3.44Å
38	F	92.4	Very high	85.1	Confident	154 Å²	154	78 Å²	78	68%	0.675	39%	0.388	S	S	*	.	H	α-helix	trans	-69.8	-42.8	179.7	175.3	-92.7	0	0	0	111.1	D36 L40 A41 S42	D36-F38 VanDerWaalsContact C-N 3.27Å; D36-F38 PolarHBondContact O-N 3.02Å; D36-F38 WeakPolarHBondContact OD2-CA 3.12Å; D36-F38 VanDerWaalsContact OD2-CB 3.22Å; D36-F38 WeakPolarHBondContact OD2-CB 3.39Å; D36-F38 PolarHBondContact OD2-N 3.08Å; F38-L40 VanDerWaalsContact C-N 3.34Å; F38-L40 PolarHBondContact O-N 2.78Å; F38-A41 PolarHBondContact O-N 2.7Å; F38-S42 VanDerWaalsContact O-CB 3.31Å; F38-S42 WeakPolarHBondContact O-CB 3.31Å; F38-S42 PolarHBondContact O-N 3.06Å; F38-S42 PolarHBondContact O-OG 3.1Å
39	S	90.4	Very high	87	Confident	32 Å²	32	74.4 Å²	74.4	22%	0.224	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-43.8	172.9	-70.4	0	0	0	0	111.9	D36 S42 V43	D36-S39 PolarHBondContact O-N 2.91Å; D36-S39 VanDerWaalsContact OD1-CB 3.22Å; D36-S39 WeakPolarHBondContact OD1-CB 3.46Å; D36-S39 PolarHBondContact OD1-OG 2.9Å; D36-S39 PolarHBondContact OD2-N 3.37Å; S39-S42 PolarHBondContact O-N 3.29Å; S39-V43 WeakPolarHBondContact O-CG2 3.25Å; S39-V43 PolarHBondContact O-N 3.32Å
40	L	93.1	Very high	88.6	Confident	28 Å²	28	70.3 Å²	70.3	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-48.3	177.1	-179.7	56.3	0	0	0	112.1	V35 D36 W37 F38 S42 V43 I44 N214 F216	V35-L40 HydrophobicContact CG1-CB 3.88Å; D36-L40 PolarHBondContact O-N 3.29Å; W37-L40 PolarHBondContact O-N 2.83Å; F38-L40 VanDerWaalsContact C-N 3.34Å; F38-L40 PolarHBondContact O-N 2.78Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.33Å; L40-V43 PolarHBondContact O-N 3.4Å; L40-I44 HydrophobicContact CD1-CD1 3.86Å; L40-I44 HydrophobicContact CD1-CG1 4.15Å; L40-I44 HydrophobicContact CG-CD1 3.94Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.01Å; L40-N214 WeakPolarHBondContact CD1-ND2 3.26Å; L40-N214 WeakPolarHBondContact CD1-OD1 3.35Å; L40-N214 WeakPolarHBondContact CD2-ND2 3.29Å; L40-F216 HydrophobicContact CD1-CB 4.2Å
41	A	94.7	Very high	89.9	Confident	44 Å²	44	69.9 Å²	69.9	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-59.4	-41.6	177.9	0	0	0	0	0	111.3	W37 F38 I44 F45	W37-A41 VanDerWaalsContact O-CB 3.3Å; W37-A41 WeakPolarHBondContact O-CB 3.33Å; W37-A41 PolarHBondContact O-N 3.44Å; F38-A41 PolarHBondContact O-N 2.7Å; A41-I44 PolarHBondContact O-N 3.25Å; A41-F45 VanDerWaalsContact O-CB 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.46Å; A41-F45 PolarHBondContact O-N 3.3Å
42	S	94.4	Very high	90.9	Very high	39 Å²	39	74.7 Å²	74.7	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-43.3	176.9	-59.8	0	0	0	0	112	F38 S39 L40 F45 L46	F38-S42 VanDerWaalsContact O-CB 3.31Å; F38-S42 WeakPolarHBondContact O-CB 3.31Å; F38-S42 PolarHBondContact O-N 3.06Å; F38-S42 PolarHBondContact O-OG 3.1Å; S39-S42 PolarHBondContact O-N 3.29Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.33Å; S42-F45 PolarHBondContact O-N 2.92Å; S42-L46 WeakPolarHBondContact O-CG 3.39Å; S42-L46 PolarHBondContact O-N 3.43Å
43	V	95	Very high	91.9	Very high	9 Å²	9	75.7 Å²	75.7	6%	0.055	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-47.7	176.1	160.6	0	0	0	0	111.5	S39 L40 F45 L46 L47 F216 Y217 M220	S39-V43 WeakPolarHBondContact O-CG2 3.25Å; S39-V43 PolarHBondContact O-N 3.32Å; L40-V43 PolarHBondContact O-N 3.4Å; V43-F45 VanDerWaalsContact C-N 3.3Å; V43-F45 PolarHBondContact O-N 2.95Å; V43-L46 PolarHBondContact O-N 3.08Å; V43-L47 HydrophobicContact CG1-CD1 3.73Å; V43-L47 HydrophobicContact CG1-CG 4.33Å; V43-L47 WeakPolarHBondContact O-CB 3.42Å; V43-L47 VanDerWaalsContact O-CG 3.29Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.29Å; V43-F216 HydrophobicContact CG1-CB 4.16Å; V43-F216 WeakPolarHBondContact CG1-O 3.44Å; V43-Y217 HydrophobicContact CG2-CD2 3.75Å; V43-Y217 HydrophobicContact CG2-CE2 4.25Å; V43-M220 HydrophobicContact CB-SD 4.22Å; V43-M220 HydrophobicContact CG1-CB 3.59Å; V43-M220 HydrophobicContact CG1-CG 4.14Å; V43-M220 HydrophobicContact CG1-SD 3.88Å; V43-M220 HydrophobicContact CG2-CB 4.24Å; V43-M220 HydrophobicContact CG2-CG 4.18Å; V43-M220 HydrophobicContact CG2-SD 4.1Å
44	I	95.4	Very high	93.2	Very high	59 Å²	59	71 Å²	71	30%	0.303	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-42.7	178.5	-68.4	170.7	0	0	0	110.2	L40 A41 L47 L48 F216	L40-I44 HydrophobicContact CD1-CD1 3.86Å; L40-I44 HydrophobicContact CD1-CG1 4.15Å; L40-I44 HydrophobicContact CG-CD1 3.94Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.01Å; A41-I44 PolarHBondContact O-N 3.25Å; I44-L47 PolarHBondContact O-N 3.3Å; I44-L48 HydrophobicContact CG2-CD1 3.86Å; I44-L48 VanDerWaalsContact O-CG 3.32Å; I44-L48 WeakPolarHBondContact O-CG 3.21Å; I44-L48 PolarHBondContact O-N 3.11Å; I44-L48 VanDerWaalsContact O-N 3.14Å; I44-F216 HydrophobicContact CD1-CD2 4.3Å; I44-F216 HydrophobicContact CG1-CB 4.33Å; I44-F216 HydrophobicContact CG1-CD2 4.38Å; I44-F216 HydrophobicContact CG1-CG 4.2Å
45	F	95.9	Very high	94.1	Very high	107 Å²	107	64 Å²	64	47%	0.469	32%	0.316	S	S	.	.	H	α-helix	trans	-57.5	-51.9	175.1	177.9	-92.6	0	0	0	111.1	A41 S42 V43 L47 L48 F49	A41-F45 VanDerWaalsContact O-CB 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.46Å; A41-F45 PolarHBondContact O-N 3.3Å; S42-F45 PolarHBondContact O-N 2.92Å; V43-F45 VanDerWaalsContact C-N 3.3Å; V43-F45 PolarHBondContact O-N 2.95Å; F45-L47 PolarHBondContact O-N 3.42Å; F45-L48 PolarHBondContact O-N 3.48Å; F45-F49 HydrophobicContact CB-CD2 4.49Å; F45-F49 HydrophobicContact CD1-CD2 4.42Å; F45-F49 AromaticContact CD2-CD2 3.23Å; F45-F49 HydrophobicContact CD2-CD2 3.23Å; F45-F49 AromaticContact CD2-CE2 3.45Å; F45-F49 HydrophobicContact CD2-CE2 3.45Å; F45-F49 VanDerWaalsContact CD2-CE2 3.45Å; F45-F49 HydrophobicContact CD2-CG 4.13Å; F45-F49 HydrophobicContact CD2-CZ 4.48Å; F45-F49 HydrophobicContact CE1-CB 4.33Å; F45-F49 HydrophobicContact CE1-CD2 4.49Å; F45-F49 HydrophobicContact CE2-CB 4.37Å; F45-F49 HydrophobicContact CE2-CD1 4.43Å; F45-F49 AromaticContact CE2-CD2 3.31Å; F45-F49 HydrophobicContact CE2-CD2 3.31Å; F45-F49 AromaticContact CE2-CE2 3.57Å; F45-F49 HydrophobicContact CE2-CE2 3.57Å; F45-F49 AromaticContact CE2-CG 3.79Å; F45-F49 HydrophobicContact CE2-CG 3.79Å; F45-F49 HydrophobicContact CE2-CZ 4.24Å; F45-F49 AromaticContact CG-CD2 3.82Å; F45-F49 HydrophobicContact CG-CD2 3.82Å; F45-F49 HydrophobicContact CG-CE2 4.39Å; F45-F49 HydrophobicContact CZ-CB 4.17Å; F45-F49 AromaticContact CZ-CD2 3.97Å; F45-F49 HydrophobicContact CZ-CD2 3.97Å; F45-F49 HydrophobicContact CZ-CG 4.05Å; F45-F49 WeakPolarHBondContact O-CB 3.47Å; F45-F49 VanDerWaalsContact O-CD2 3.26Å; F45-F49 WeakPolarHBondContact O-CD2 3.44Å; F45-F49 PolarHBondContact O-N 3.21Å
46	L	95.8	Very high	94.6	Very high	74 Å²	74	64.9 Å²	64.9	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-40.9	-178.2	-69.5	172.5	0	0	0	112.8	S42 V43 L48 A50 M220	S42-L46 WeakPolarHBondContact O-CG 3.39Å; S42-L46 PolarHBondContact O-N 3.43Å; V43-L46 PolarHBondContact O-N 3.08Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.88Å; L46-A50 VanDerWaalsContact O-CB 3.24Å; L46-A50 WeakPolarHBondContact O-CB 3.26Å; L46-A50 PolarHBondContact O-N 3.1Å; L46-M220 HydrophobicContact CB-CE 3.7Å; L46-M220 HydrophobicContact CB-SD 4.06Å; L46-M220 HydrophobicContact CD1-CE 3.64Å; L46-M220 HydrophobicContact CG-CE 4.33Å
47	L	95.3	Very high	94.9	Very high	23 Å²	23	64 Å²	64	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-36.2	176.8	-74.7	170	0	0	0	112.5	V43 I44 F45 F216 Y219 M220 W304	V43-L47 HydrophobicContact CG1-CD1 3.73Å; V43-L47 HydrophobicContact CG1-CG 4.33Å; V43-L47 WeakPolarHBondContact O-CB 3.42Å; V43-L47 VanDerWaalsContact O-CG 3.29Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.29Å; I44-L47 PolarHBondContact O-N 3.3Å; F45-L47 PolarHBondContact O-N 3.42Å; L47-F216 HydrophobicContact CD1-CB 4.35Å; L47-F216 HydrophobicContact CD1-CD1 4.23Å; L47-Y219 HydrophobicContact CD2-CD1 3.97Å; L47-Y219 HydrophobicContact CD2-CE1 4.1Å; L47-M220 HydrophobicContact CD1-CB 4.43Å; L47-M220 HydrophobicContact CD2-CB 4.41Å; L47-M220 HydrophobicContact CD2-SD 4.15Å; L47-M220 HydrophobicContact CG-SD 3.87Å; L47-W304 HydrophobicContact CD2-CB 4.25Å; L47-W304 HydrophobicContact CD2-CD2 3.44Å; L47-W304 VanDerWaalsContact CD2-CD2 3.44Å; L47-W304 HydrophobicContact CD2-CE3 3.5Å; L47-W304 VanDerWaalsContact CD2-CE3 3.5Å; L47-W304 HydrophobicContact CD2-CG 3.8Å; L47-W304 HydrophobicContact CD2-CH2 4.41Å; L47-W304 HydrophobicContact CD2-CZ2 4.39Å; L47-W304 HydrophobicContact CD2-CZ3 4Å; L47-W304 HydrophobicContact CG-CE3 4.49Å
48	L	93.8	Very high	95.2	Very high	118 Å²	118	54 Å²	54	62%	0.618	27%	0.271	S	S	*	.	H	α-helix	trans	-84.8	-44.2	-179.4	-67.3	173.7	0	0	0	112.5	I44 F45 L46	I44-L48 HydrophobicContact CG2-CD1 3.86Å; I44-L48 VanDerWaalsContact O-CG 3.32Å; I44-L48 WeakPolarHBondContact O-CG 3.21Å; I44-L48 PolarHBondContact O-N 3.11Å; I44-L48 VanDerWaalsContact O-N 3.14Å; F45-L48 PolarHBondContact O-N 3.48Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.88Å
49	F	95.6	Very high	95.3	Very high	95 Å²	95	46.9 Å²	46.9	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-92.5	-30.6	-167.6	-73.6	-81.7	0	0	0	113.9	F45 F52 I53	F45-F49 HydrophobicContact CB-CD2 4.49Å; F45-F49 HydrophobicContact CD1-CD2 4.42Å; F45-F49 AromaticContact CD2-CD2 3.23Å; F45-F49 HydrophobicContact CD2-CD2 3.23Å; F45-F49 AromaticContact CD2-CE2 3.45Å; F45-F49 HydrophobicContact CD2-CE2 3.45Å; F45-F49 VanDerWaalsContact CD2-CE2 3.45Å; F45-F49 HydrophobicContact CD2-CG 4.13Å; F45-F49 HydrophobicContact CD2-CZ 4.48Å; F45-F49 HydrophobicContact CE1-CB 4.33Å; F45-F49 HydrophobicContact CE1-CD2 4.49Å; F45-F49 HydrophobicContact CE2-CB 4.37Å; F45-F49 HydrophobicContact CE2-CD1 4.43Å; F45-F49 AromaticContact CE2-CD2 3.31Å; F45-F49 HydrophobicContact CE2-CD2 3.31Å; F45-F49 AromaticContact CE2-CE2 3.57Å; F45-F49 HydrophobicContact CE2-CE2 3.57Å; F45-F49 AromaticContact CE2-CG 3.79Å; F45-F49 HydrophobicContact CE2-CG 3.79Å; F45-F49 HydrophobicContact CE2-CZ 4.24Å; F45-F49 AromaticContact CG-CD2 3.82Å; F45-F49 HydrophobicContact CG-CD2 3.82Å; F45-F49 HydrophobicContact CG-CE2 4.39Å; F45-F49 HydrophobicContact CZ-CB 4.17Å; F45-F49 AromaticContact CZ-CD2 3.97Å; F45-F49 HydrophobicContact CZ-CD2 3.97Å; F45-F49 HydrophobicContact CZ-CG 4.05Å; F45-F49 WeakPolarHBondContact O-CB 3.47Å; F45-F49 VanDerWaalsContact O-CD2 3.26Å; F45-F49 WeakPolarHBondContact O-CD2 3.44Å; F45-F49 PolarHBondContact O-N 3.21Å; F49-F52 CarbonylContact O-C 3.25Å; F49-F52 WeakPolarHBondContact O-CB 3.31Å; F49-F52 PolarHBondContact O-N 3.25Å; F49-F52 VanDerWaalsContact O-N 3.13Å; F49-I53 VanDerWaalsContact O-CG1 3.3Å; F49-I53 WeakPolarHBondContact O-CG1 3.33Å; F49-I53 PolarHBondContact O-N 3.28Å
50	A	96.6	Very high	95.5	Very high	9 Å²	9	45.4 Å²	45.4	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-40.5	-177.1	0	0	0	0	0	113.7	L46 F52 I53 V54 W304 W308 W313	L46-A50 VanDerWaalsContact O-CB 3.24Å; L46-A50 WeakPolarHBondContact O-CB 3.26Å; L46-A50 PolarHBondContact O-N 3.1Å; A50-F52 VanDerWaalsContact C-N 3.3Å; A50-F52 PolarHBondContact O-N 3.42Å; A50-I53 WeakPolarHBondContact O-CB 3.44Å; A50-I53 PolarHBondContact O-N 2.61Å; A50-V54 PolarHBondContact O-N 2.77Å; A50-V54 VanDerWaalsContact O-N 3.09Å; A50-W304 HydrophobicContact CB-CH2 4.09Å; A50-W308 HydrophobicContact CB-CH2 3.98Å; A50-W308 HydrophobicContact CB-CZ3 3.9Å; A50-W313 HydrophobicContact CB-CZ3 4.22Å
51	P	96.3	Very high	95.6	Very high	24 Å²	24	44.4 Å²	44.4	16%	0.156	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-38.6	171.6	-21.3	32.5	0	0	0	113	I53 V54 Y55 Y189 W304 W308	P51-I53 VanDerWaalsContact C-N 3.34Å; P51-V54 PolarHBondContact O-N 2.69Å; P51-Y55 WeakPolarHBondContact O-CB 3.29Å; P51-Y55 PolarHBondContact O-N 2.7Å; P51-Y189 VanDerWaalsContact CG-OH 3.27Å; P51-Y189 WeakPolarHBondContact CG-OH 3.46Å; P51-W304 HydrophobicContact CG-CZ2 4Å; P51-W308 HydrophobicContact CB-CZ2 4Å; P51-W308 HydrophobicContact CG-CH2 4.49Å; P51-W308 HydrophobicContact CG-CZ2 3.94Å
52	F	94.9	Very high	95.6	Very high	110 Å²	110	45.4 Å²	45.4	48%	0.482	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-38.9	175.9	179.8	-96.1	0	0	0	111.8	F49 A50 Y55 Y56	F49-F52 CarbonylContact O-C 3.25Å; F49-F52 WeakPolarHBondContact O-CB 3.31Å; F49-F52 PolarHBondContact O-N 3.25Å; F49-F52 VanDerWaalsContact O-N 3.13Å; A50-F52 VanDerWaalsContact C-N 3.3Å; A50-F52 PolarHBondContact O-N 3.42Å; F52-Y55 PolarHBondContact O-N 3.14Å; F52-Y56 VanDerWaalsContact O-CB 3.23Å; F52-Y56 WeakPolarHBondContact O-CB 3.29Å; F52-Y56 PolarHBondContact O-N 2.99Å
53	I	96	Very high	95.6	Very high	60 Å²	60	45.7 Å²	45.7	31%	0.308	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-52.2	175.3	-70.5	166	0	0	0	109.8	F49 A50 P51 Y55 Y56 F57 W313	F49-I53 VanDerWaalsContact O-CG1 3.3Å; F49-I53 WeakPolarHBondContact O-CG1 3.33Å; F49-I53 PolarHBondContact O-N 3.28Å; A50-I53 WeakPolarHBondContact O-CB 3.44Å; A50-I53 PolarHBondContact O-N 2.61Å; P51-I53 VanDerWaalsContact C-N 3.34Å; I53-Y55 VanDerWaalsContact C-N 3.33Å; I53-Y55 PolarHBondContact O-N 3.5Å; I53-Y56 WeakPolarHBondContact O-CB 3.44Å; I53-Y56 PolarHBondContact O-N 3.27Å; I53-Y56 VanDerWaalsContact O-N 3.15Å; I53-F57 HydrophobicContact CG2-CD2 3.85Å; I53-F57 HydrophobicContact CG2-CE2 3.81Å; I53-F57 VanDerWaalsContact O-CD2 3.31Å; I53-F57 WeakPolarHBondContact O-CD2 3.34Å; I53-F57 PolarHBondContact O-N 2.92Å; I53-W313 HydrophobicContact CG2-CH2 4.46Å; I53-W313 HydrophobicContact CG2-CZ3 4.31Å
54	V	97.4	Very high	95.6	Very high	1 Å²	1	47 Å²	47	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-47.8	179.3	177.8	0	0	0	0	110.6	A50 P51 Y56 F57 I58 L181 W308 V312 W313 Y316 L317	A50-V54 PolarHBondContact O-N 2.77Å; A50-V54 VanDerWaalsContact O-N 3.09Å; P51-V54 PolarHBondContact O-N 2.69Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.13Å; V54-F57 PolarHBondContact O-N 2.93Å; V54-I58 HydrophobicContact CG1-CG1 4.4Å; V54-I58 WeakPolarHBondContact O-CG1 3.2Å; V54-I58 PolarHBondContact O-N 2.88Å; V54-I58 VanDerWaalsContact O-N 3.08Å; V54-L181 HydrophobicContact CG1-CD1 3.86Å; V54-W308 HydrophobicContact CG2-CH2 3.71Å; V54-W308 HydrophobicContact CG2-CZ2 4.2Å; V54-V312 HydrophobicContact CB-CG1 4.39Å; V54-V312 HydrophobicContact CG1-CG1 3.94Å; V54-V312 HydrophobicContact CG2-CG1 4.35Å; V54-W313 HydrophobicContact CG2-CE3 3.9Å; V54-W313 HydrophobicContact CG2-CZ3 4.38Å; V54-Y316 HydrophobicContact CG1-CG 4.24Å; V54-L317 HydrophobicContact CG2-CD1 4.15Å; V54-L317 HydrophobicContact CG2-CD2 4.23Å; V54-L317 HydrophobicContact CG2-CG 4.1Å
55	Y	96.4	Very high	95.5	Very high	29 Å²	29	47.4 Å²	47.4	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-54	-47.4	175.3	176.9	-92.8	0	0	0	111.9	P51 F52 I53 F57 I58 M59 W86 T89 W182	P51-Y55 WeakPolarHBondContact O-CB 3.29Å; P51-Y55 PolarHBondContact O-N 2.7Å; F52-Y55 PolarHBondContact O-N 3.14Å; I53-Y55 VanDerWaalsContact C-N 3.33Å; I53-Y55 PolarHBondContact O-N 3.5Å; Y55-F57 PolarHBondContact O-N 3.17Å; Y55-I58 PolarHBondContact O-N 2.88Å; Y55-M59 HydrophobicContact CD1-CG 3.95Å; Y55-M59 HydrophobicContact CD2-CG 4.03Å; Y55-M59 HydrophobicContact CE1-CB 4.41Å; Y55-M59 HydrophobicContact CE1-CG 3.54Å; Y55-M59 HydrophobicContact CE2-CG 3.63Å; Y55-M59 HydrophobicContact CE2-SD 4Å; Y55-M59 HydrophobicContact CG-CG 4.18Å; Y55-M59 WeakPolarHBondContact O-CB 3.29Å; Y55-M59 VanDerWaalsContact O-CG 3.29Å; Y55-M59 WeakPolarHBondContact O-CG 3.24Å; Y55-M59 PolarHBondContact O-N 2.88Å; Y55-W86 HydrophobicContact CE2-CE3 4.28Å; Y55-W86 AromaticContact CE2-CZ3 3.98Å; Y55-W86 HydrophobicContact CE2-CZ3 3.98Å; Y55-W86 AromaticContact CZ-CE3 3.89Å; Y55-T89 HydrophobicContact CE2-CG2 3.87Å; Y55-T89 PolarHBondContact OH-OG1 3.37Å; Y55-W182 AromaticContact CD2-CH2 3.87Å; Y55-W182 HydrophobicContact CD2-CH2 3.87Å; Y55-W182 HydrophobicContact CD2-CZ2 4.23Å; Y55-W182 AromaticContact CE2-CH2 3.87Å; Y55-W182 HydrophobicContact CE2-CH2 3.87Å; Y55-W182 AromaticContact CE2-CZ2 3.92Å; Y55-W182 HydrophobicContact CE2-CZ2 3.92Å
56	Y	95.9	Very high	95.4	Very high	56 Å²	56	43 Å²	43	22%	0.22	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-49.3	179.9	178.5	-95.5	0	0	0	112.4	F52 I53 V54 I58 M59 A60 L68 P71 V72	F52-Y56 VanDerWaalsContact O-CB 3.23Å; F52-Y56 WeakPolarHBondContact O-CB 3.29Å; F52-Y56 PolarHBondContact O-N 2.99Å; I53-Y56 WeakPolarHBondContact O-CB 3.44Å; I53-Y56 PolarHBondContact O-N 3.27Å; I53-Y56 VanDerWaalsContact O-N 3.15Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.13Å; Y56-I58 VanDerWaalsContact C-N 3.34Å; Y56-I58 PolarHBondContact O-N 2.86Å; Y56-M59 PolarHBondContact O-N 3.4Å; Y56-A60 VanDerWaalsContact O-CB 3.22Å; Y56-A60 WeakPolarHBondContact O-CB 3.47Å; Y56-A60 PolarHBondContact O-N 2.63Å; Y56-L68 HydrophobicContact CE1-CD2 4.24Å; Y56-L68 PolarHBondContact OH-O 3.34Å; Y56-P71 HydrophobicContact CE2-CB 4.06Å; Y56-P71 HydrophobicContact CE2-CG 4.22Å; Y56-V72 HydrophobicContact CE2-CG2 4.35Å; Y56-V72 VanDerWaalsContact OH-CG2 3.31Å; Y56-V72 WeakPolarHBondContact OH-CG2 3.15Å
57	F	96.7	Very high	95.3	Very high	62 Å²	62	41.6 Å²	41.6	27%	0.272	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-43.1	178.4	-86.3	-86.1	0	0	0	111.8	I53 V54 Y55 C61 L68 L317 L320	I53-F57 HydrophobicContact CG2-CD2 3.85Å; I53-F57 HydrophobicContact CG2-CE2 3.81Å; I53-F57 VanDerWaalsContact O-CD2 3.31Å; I53-F57 WeakPolarHBondContact O-CD2 3.34Å; I53-F57 PolarHBondContact O-N 2.92Å; V54-F57 PolarHBondContact O-N 2.93Å; Y55-F57 PolarHBondContact O-N 3.17Å; F57-C61 PolarHBondContact O-N 3.31Å; F57-L68 HydrophobicContact CD1-CD2 3.65Å; F57-L68 HydrophobicContact CE1-CD1 3.79Å; F57-L68 HydrophobicContact CE1-CD2 3.69Å; F57-L68 HydrophobicContact CE1-CG 4.41Å; F57-L68 HydrophobicContact CG-CD2 4.47Å; F57-L68 HydrophobicContact CZ-CD1 4.37Å; F57-L317 HydrophobicContact CB-CD2 4.17Å; F57-L317 HydrophobicContact CD2-CD2 4.25Å; F57-L317 HydrophobicContact CG-CD2 4.25Å; F57-L320 HydrophobicContact CB-CD1 4.24Å; F57-L320 HydrophobicContact CB-CD2 4.13Å; F57-L320 HydrophobicContact CD1-CD1 3.61Å; F57-L320 HydrophobicContact CD1-CD2 4.47Å; F57-L320 HydrophobicContact CE1-CD1 4.19Å; F57-L320 HydrophobicContact CG-CD1 4.04Å
58	I	96.4	Very high	95.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-44.3	179.4	-61.5	-45.2	0	0	0	111.5	V54 Y55 Y56 C61 D62 W177 I178 L181 Y316 L320 L323	V54-I58 HydrophobicContact CG1-CG1 4.4Å; V54-I58 WeakPolarHBondContact O-CG1 3.2Å; V54-I58 PolarHBondContact O-N 2.88Å; V54-I58 VanDerWaalsContact O-N 3.08Å; Y55-I58 PolarHBondContact O-N 2.88Å; Y56-I58 VanDerWaalsContact C-N 3.34Å; Y56-I58 PolarHBondContact O-N 2.86Å; I58-C61 WeakPolarHBondContact O-CB 3.26Å; I58-C61 PolarHBondContact O-N 3.13Å; I58-D62 WeakPolarHBondContact O-CB 3.27Å; I58-D62 PolarHBondContact O-N 3.32Å; I58-W177 HydrophobicContact CD1-CZ2 4.43Å; I58-I178 HydrophobicContact CG2-CD1 4.46Å; I58-I178 HydrophobicContact CG2-CG1 3.79Å; I58-L181 HydrophobicContact CB-CD2 4.35Å; I58-L181 HydrophobicContact CG1-CD2 4.25Å; I58-L181 HydrophobicContact CG2-CD2 4.4Å; I58-Y316 HydrophobicContact CD1-CD1 3.99Å; I58-Y316 HydrophobicContact CG1-CD1 3.97Å; I58-L320 HydrophobicContact CD1-CD2 4.18Å; I58-L323 HydrophobicContact CD1-CD2 3.9Å
59	M	94.9	Very high	95.2	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-33.7	179.2	-63.3	-41.9	-60.1	0	0	112.9	Y55 Y56 C61 D62 Q63 T89 I178	Y55-M59 HydrophobicContact CD1-CG 3.95Å; Y55-M59 HydrophobicContact CD2-CG 4.03Å; Y55-M59 HydrophobicContact CE1-CB 4.41Å; Y55-M59 HydrophobicContact CE1-CG 3.54Å; Y55-M59 HydrophobicContact CE2-CG 3.63Å; Y55-M59 HydrophobicContact CE2-SD 4Å; Y55-M59 HydrophobicContact CG-CG 4.18Å; Y55-M59 WeakPolarHBondContact O-CB 3.29Å; Y55-M59 VanDerWaalsContact O-CG 3.29Å; Y55-M59 WeakPolarHBondContact O-CG 3.24Å; Y55-M59 PolarHBondContact O-N 2.88Å; Y56-M59 PolarHBondContact O-N 3.4Å; M59-C61 VanDerWaalsContact C-N 3.26Å; M59-C61 PolarHBondContact O-N 3.41Å; M59-D62 PolarHBondContact O-N 3.48Å; M59-Q63 HydrophobicContact CE-CG 3.91Å; M59-Q63 WeakPolarHBondContact O-CB 3.32Å; M59-Q63 PolarHBondContact O-N 3.01Å; M59-T89 HydrophobicContact CE-CG2 4.22Å; M59-T89 WeakPolarHBondContact CE-OG1 3.45Å; M59-T89 HydrophobicContact SD-CG2 4Å; M59-I178 HydrophobicContact CE-CD1 4.18Å; M59-I178 HydrophobicContact SD-CD1 3.88Å; M59-I178 HydrophobicContact SD-CG1 4.46Å
60	A	95.8	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-39	170.6	0	0	0	0	0	110.7	Y56 Y64 S65 C66 L68 P71	Y56-A60 VanDerWaalsContact O-CB 3.22Å; Y56-A60 WeakPolarHBondContact O-CB 3.47Å; Y56-A60 PolarHBondContact O-N 2.63Å; A60-Y64 CarbonylContact O-C 3.57Å; A60-Y64 VanDerWaalsContact O-C 3.25Å; A60-Y64 VanDerWaalsContact O-CA 3.29Å; A60-Y64 WeakPolarHBondContact O-CA 3.49Å; A60-Y64 VanDerWaalsContact O-CB 3.26Å; A60-Y64 WeakPolarHBondContact O-CB 3.46Å; A60-Y64 PolarHBondContact O-N 2.89Å; A60-Y64 VanDerWaalsContact O-N 3.08Å; A60-S65 PolarHBondContact O-N 3.23Å; A60-C66 VanDerWaalsContact O-CA 3.32Å; A60-C66 WeakPolarHBondContact O-CA 3.28Å; A60-C66 PolarHBondContact O-N 3.46Å; A60-L68 HydrophobicContact CB-CD2 4.09Å; A60-P71 HydrophobicContact CB-CG 4.08Å
61	C	95	Very high	94.9	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-51.1	173.4	-85.1	0	0	0	0	113.7	F57 I58 M59 S65 C66 L323 Y327	F57-C61 PolarHBondContact O-N 3.31Å; I58-C61 WeakPolarHBondContact O-CB 3.26Å; I58-C61 PolarHBondContact O-N 3.13Å; M59-C61 VanDerWaalsContact C-N 3.26Å; M59-C61 PolarHBondContact O-N 3.41Å; C61-S65 PolarHBondContact O-N 3.43Å; C61-C66 WeakPolarHBondContact CA-SG 3.34Å; C61-C66 HydrophobicContact CB-CB 4.14Å; C61-C66 WeakPolarHBondContact CB-SG 3.23Å; C61-C66 PolarHBondContact O-N 3.44Å; C61-C66 WeakPolarHBondContact SG-CB 3.45Å; C61-C66 CovalentContact SG-SG 2.05Å; C61-C66 PolarHBondContact SG-SG 2.92Å; C61-L323 HydrophobicContact CB-CD2 3.61Å; C61-L323 HydrophobicContact CB-CG 3.98Å; C61-Y327 HydrophobicContact CB-CE2 4.41Å
62	D	93.9	Very high	94.7	Very high	66 Å²	66	41.8 Å²	41.8	35%	0.353	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-47.8	-175.8	-176.9	69.8	0	0	0	113.3	I58 M59 I178	I58-D62 WeakPolarHBondContact O-CB 3.27Å; I58-D62 PolarHBondContact O-N 3.32Å; M59-D62 PolarHBondContact O-N 3.48Å; D62-I178 HydrophobicContact CB-CD1 3.83Å; D62-I178 VanDerWaalsContact CG-CD1 3.48Å
63	Q	94.3	Very high	94.6	Very high	44 Å²	44	40.1 Å²	40.1	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-96.9	-20.6	-171.9	-61.8	-175.5	12.5	0	0	114	M59 I85	M59-Q63 HydrophobicContact CE-CG 3.91Å; M59-Q63 WeakPolarHBondContact O-CB 3.32Å; M59-Q63 PolarHBondContact O-N 3.01Å; Q63-I85 PolarHBondContact NE2-O 3.02Å; Q63-I85 VanDerWaalsContact NE2-O 3.08Å
64	Y	94.9	Very high	94.4	Very high	38 Å²	38	39.4 Å²	39.4	15%	0.149	22%	0.223	C	C	.	.	H	α-helix	trans	-127.4	20.3	-171.4	-66.7	-90.1	0	0	0	113.1	A60 C66 A67 P71 D74	A60-Y64 CarbonylContact O-C 3.57Å; A60-Y64 VanDerWaalsContact O-C 3.25Å; A60-Y64 VanDerWaalsContact O-CA 3.29Å; A60-Y64 WeakPolarHBondContact O-CA 3.49Å; A60-Y64 VanDerWaalsContact O-CB 3.26Å; A60-Y64 WeakPolarHBondContact O-CB 3.46Å; A60-Y64 PolarHBondContact O-N 2.89Å; A60-Y64 VanDerWaalsContact O-N 3.08Å; Y64-C66 PolarHBondContact O-N 3.08Å; Y64-C66 VanDerWaalsContact O-N 3.15Å; Y64-A67 VanDerWaalsContact O-CB 3.24Å; Y64-A67 WeakPolarHBondContact O-CB 3.47Å; Y64-A67 PolarHBondContact O-N 2.89Å; Y64-P71 HydrophobicContact CD2-CB 4.35Å; Y64-P71 HydrophobicContact CD2-CG 3.53Å; Y64-P71 HydrophobicContact CE2-CB 4.08Å; Y64-P71 HydrophobicContact CE2-CG 3.77Å; Y64-P71 HydrophobicContact CG-CG 4Å; Y64-D74 HydrophobicContact CE1-CB 4.41Å; Y64-D74 WeakPolarHBondContact CE1-OD2 3.31Å; Y64-D74 PolarHBondContact OH-OD2 3.42Å
65	S	93.3	Very high	94.2	Very high	66 Å²	66	42.5 Å²	42.5	46%	0.462	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	41.9	-178.5	-53.6	0	0	0	0	112	A60 C61 A67 H328	A60-S65 PolarHBondContact O-N 3.23Å; C61-S65 PolarHBondContact O-N 3.43Å; S65-A67 PolarHBondContact O-N 3.15Å; S65-A67 VanDerWaalsContact O-N 3.15Å; S65-H328 PolarHBondContact O-NE2 3.42Å
66	C	94.1	Very high	94	Very high	14 Å²	14	46.8 Å²	46.8	10%	0.095	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	15.1	-178.4	-58.3	0	0	0	0	115.3	A60 C61 Y64 L68 Y324	A60-C66 VanDerWaalsContact O-CA 3.32Å; A60-C66 WeakPolarHBondContact O-CA 3.28Å; A60-C66 PolarHBondContact O-N 3.46Å; C61-C66 WeakPolarHBondContact CA-SG 3.34Å; C61-C66 HydrophobicContact CB-CB 4.14Å; C61-C66 WeakPolarHBondContact CB-SG 3.23Å; C61-C66 PolarHBondContact O-N 3.44Å; C61-C66 WeakPolarHBondContact SG-CB 3.45Å; C61-C66 CovalentContact SG-SG 2.05Å; C61-C66 PolarHBondContact SG-SG 2.92Å; Y64-C66 PolarHBondContact O-N 3.08Å; Y64-C66 VanDerWaalsContact O-N 3.15Å; C66-L68 PolarHBondContact O-N 2.94Å; C66-L68 VanDerWaalsContact O-N 3.08Å; C66-Y324 HydrophobicContact CB-CD2 3.57Å; C66-Y324 HydrophobicContact CB-CE2 4.19Å
67	A	94.4	Very high	93.9	Very high	46 Å²	46	47.7 Å²	47.7	38%	0.38	28%	0.279	S	S	.	.			trans	-72.7	100.5	170.8	0	0	0	0	0	109.9	Y64 S65 T69 G70 P71	Y64-A67 VanDerWaalsContact O-CB 3.24Å; Y64-A67 WeakPolarHBondContact O-CB 3.47Å; Y64-A67 PolarHBondContact O-N 2.89Å; S65-A67 PolarHBondContact O-N 3.15Å; S65-A67 VanDerWaalsContact O-N 3.15Å; A67-T69 PolarHBondContact O-N 3.47Å; A67-T69 VanDerWaalsContact O-N 3.14Å; A67-G70 PolarHBondContact O-N 3.32Å; A67-P71 WeakPolarHBondContact O-CD 3.36Å
68	L	93	Very high	93.6	Very high	78 Å²	78	47.7 Å²	47.7	41%	0.408	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22	-177.9	-63.3	179.7	0	0	0	113.5	Y56 F57 A60 C66	Y56-L68 HydrophobicContact CE1-CD2 4.24Å; Y56-L68 PolarHBondContact OH-O 3.34Å; F57-L68 HydrophobicContact CD1-CD2 3.65Å; F57-L68 HydrophobicContact CE1-CD1 3.79Å; F57-L68 HydrophobicContact CE1-CD2 3.69Å; F57-L68 HydrophobicContact CE1-CG 4.41Å; F57-L68 HydrophobicContact CG-CD2 4.47Å; F57-L68 HydrophobicContact CZ-CD1 4.37Å; A60-L68 HydrophobicContact CB-CD2 4.09Å; C66-L68 PolarHBondContact O-N 2.94Å; C66-L68 VanDerWaalsContact O-N 3.08Å
69	T	94.4	Very high	93.2	Very high	102 Å²	102	54.6 Å²	54.6	63%	0.626	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.8	175.6	49.7	0	0	0	0	112.8	A67 V72 V73	A67-T69 PolarHBondContact O-N 3.47Å; A67-T69 VanDerWaalsContact O-N 3.14Å; T69-V72 PolarHBondContact O-N 3.49Å; T69-V73 VanDerWaalsContact O-CG2 3.3Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.02Å
70	G	92.7	Very high	92.9	Very high	13 Å²	13	55 Å²	55	13%	0.134	33%	0.332	C	S	.	.	H	α-helix	trans	-55	-58.8	-174.6	0	0	0	0	0	113.6	A67 V72 V73 D74	A67-G70 PolarHBondContact O-N 3.32Å; G70-V72 VanDerWaalsContact C-N 3.26Å; G70-V72 PolarHBondContact O-N 3.41Å; G70-V73 PolarHBondContact O-N 3.27Å; G70-D74 PolarHBondContact O-N 3.19Å
71	P	92.1	Very high	92.7	Very high	7 Å²	7	63.7 Å²	63.7	5%	0.045	37%	0.365	C	S	.	.	H	α-helix	trans	-55.8	-39.9	179.5	-22.6	29	0	0	0	113.3	Y56 A60 Y64 A67 I75 I85	Y56-P71 HydrophobicContact CE2-CB 4.06Å; Y56-P71 HydrophobicContact CE2-CG 4.22Å; A60-P71 HydrophobicContact CB-CG 4.08Å; Y64-P71 HydrophobicContact CD2-CB 4.35Å; Y64-P71 HydrophobicContact CD2-CG 3.53Å; Y64-P71 HydrophobicContact CE2-CB 4.08Å; Y64-P71 HydrophobicContact CE2-CG 3.77Å; Y64-P71 HydrophobicContact CG-CG 4Å; A67-P71 WeakPolarHBondContact O-CD 3.36Å; P71-I75 WeakPolarHBondContact O-CD1 3.38Å; P71-I75 WeakPolarHBondContact O-CG1 3.27Å; P71-I75 PolarHBondContact O-N 3.27Å; P71-I75 VanDerWaalsContact O-N 3.13Å; P71-I85 HydrophobicContact CB-CD1 4.27Å
72	V	92.8	Very high	92.4	Very high	73 Å²	73	68.9 Å²	68.9	44%	0.442	39%	0.392	S	S	.	.	H	α-helix	trans	-70.2	-45.2	-178.3	175.4	0	0	0	0	110.9	Y56 T69 G70 D74 I75 V76	Y56-V72 HydrophobicContact CE2-CG2 4.35Å; Y56-V72 VanDerWaalsContact OH-CG2 3.31Å; Y56-V72 WeakPolarHBondContact OH-CG2 3.15Å; T69-V72 PolarHBondContact O-N 3.49Å; G70-V72 VanDerWaalsContact C-N 3.26Å; G70-V72 PolarHBondContact O-N 3.41Å; V72-D74 VanDerWaalsContact C-N 3.34Å; V72-D74 PolarHBondContact O-N 2.91Å; V72-I75 PolarHBondContact O-N 3.15Å; V72-V76 HydrophobicContact CG1-CG2 4.23Å; V72-V76 WeakPolarHBondContact O-CB 3.5Å; V72-V76 VanDerWaalsContact O-CG2 3.27Å; V72-V76 WeakPolarHBondContact O-CG2 3.43Å; V72-V76 PolarHBondContact O-N 2.9Å
73	V	93	Very high	92.3	Very high	75 Å²	75	68.9 Å²	68.9	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-45.6	178.2	170.6	0	0	0	0	110.1	T69 G70 I75 V76 T77	T69-V73 VanDerWaalsContact O-CG2 3.3Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.02Å; G70-V73 PolarHBondContact O-N 3.27Å; V73-I75 VanDerWaalsContact C-N 3.33Å; V73-I75 PolarHBondContact O-N 3.37Å; V73-V76 PolarHBondContact O-N 3.04Å; V73-T77 HydrophobicContact CG1-CG2 4.09Å; V73-T77 VanDerWaalsContact O-CB 3.31Å; V73-T77 WeakPolarHBondContact O-CB 3.41Å; V73-T77 VanDerWaalsContact O-CG2 3.29Å; V73-T77 WeakPolarHBondContact O-CG2 3.24Å; V73-T77 PolarHBondContact O-N 3.26Å; V73-T77 PolarHBondContact O-OG1 2.87Å
74	D	91.6	Very high	92.1	Very high	44 Å²	44	70 Å²	70	24%	0.235	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-39	178.8	-86.2	11.9	0	0	0	113	Y64 G70 V72 T77 G78 H79 A80	Y64-D74 HydrophobicContact CE1-CB 4.41Å; Y64-D74 WeakPolarHBondContact CE1-OD2 3.31Å; Y64-D74 PolarHBondContact OH-OD2 3.42Å; G70-D74 PolarHBondContact O-N 3.19Å; V72-D74 VanDerWaalsContact C-N 3.34Å; V72-D74 PolarHBondContact O-N 2.91Å; D74-T77 PolarHBondContact O-OG1 3.34Å; D74-G78 CarbonylContact O-C 3.07Å; D74-G78 PolarHBondContact O-N 3.39Å; D74-G78 VanDerWaalsContact O-N 3.13Å; D74-H79 HydrophobicContact CB-CB 4.4Å; D74-H79 PolarHBondContact O-N 3.38Å; D74-A80 HydrophobicContact CB-CB 3.95Å; D74-A80 PolarHBondContact O-N 3.1Å; D74-A80 VanDerWaalsContact O-N 3.09Å
75	I	92.4	Very high	91.9	Very high	67 Å²	67	68.9 Å²	68.9	34%	0.344	40%	0.401	S	S	.	.	H	α-helix	trans	-68.3	-46.6	176.3	-68.3	164.4	0	0	0	111	P71 V72 V73 G78 A80 L82 I85	P71-I75 WeakPolarHBondContact O-CD1 3.38Å; P71-I75 WeakPolarHBondContact O-CG1 3.27Å; P71-I75 PolarHBondContact O-N 3.27Å; P71-I75 VanDerWaalsContact O-N 3.13Å; V72-I75 PolarHBondContact O-N 3.15Å; V73-I75 VanDerWaalsContact C-N 3.33Å; V73-I75 PolarHBondContact O-N 3.37Å; I75-G78 PolarHBondContact O-N 2.88Å; I75-A80 WeakPolarHBondContact CA-O 3.3Å; I75-L82 HydrophobicContact CD1-CD2 3.57Å; I75-L82 HydrophobicContact CD1-CG 4.26Å; I75-I85 HydrophobicContact CD1-CD1 3.91Å; I75-I85 HydrophobicContact CG1-CD1 4.22Å
76	V	93.1	Very high	91.8	Very high	119 Å²	119	73 Å²	73	72%	0.721	41%	0.407	S	S	*	.	H	α-helix	trans	-68.2	-36.7	-177.3	170.5	0	0	0	0	111.8	V72 V73 G78	V72-V76 HydrophobicContact CG1-CG2 4.23Å; V72-V76 WeakPolarHBondContact O-CB 3.5Å; V72-V76 VanDerWaalsContact O-CG2 3.27Å; V72-V76 WeakPolarHBondContact O-CG2 3.43Å; V72-V76 PolarHBondContact O-N 2.9Å; V73-V76 PolarHBondContact O-N 3.04Å; V76-G78 VanDerWaalsContact C-N 3.29Å
77	T	92.8	Very high	91.8	Very high	75 Å²	75	76.3 Å²	76.3	46%	0.46	44%	0.435	S	S	.	.	H	α-helix	trans	-80.7	-9.6	177.6	55.4	0	0	0	0	113.2	V73 D74 H79	V73-T77 HydrophobicContact CG1-CG2 4.09Å; V73-T77 VanDerWaalsContact O-CB 3.31Å; V73-T77 WeakPolarHBondContact O-CB 3.41Å; V73-T77 VanDerWaalsContact O-CG2 3.29Å; V73-T77 WeakPolarHBondContact O-CG2 3.24Å; V73-T77 PolarHBondContact O-N 3.26Å; V73-T77 PolarHBondContact O-OG1 2.87Å; D74-T77 PolarHBondContact O-OG1 3.34Å; T77-H79 VanDerWaalsContact C-N 3.31Å; T77-H79 PolarHBondContact OG1-ND1 3.01Å
78	G	89.8	Confident	91.7	Very high	62 Å²	62	80.9 Å²	80.9	64%	0.639	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	10.6	179.9	0	0	0	0	0	114.5	D74 I75 V76 A80	D74-G78 CarbonylContact O-C 3.07Å; D74-G78 PolarHBondContact O-N 3.39Å; D74-G78 VanDerWaalsContact O-N 3.13Å; I75-G78 PolarHBondContact O-N 2.88Å; V76-G78 VanDerWaalsContact C-N 3.29Å; G78-A80 VanDerWaalsContact C-N 3.32Å
79	H	89.4	Confident	91.8	Very high	146 Å²	146	77.9 Å²	77.9	68%	0.676	43%	0.431	S	S	*	.	S	Bend	trans	-71.2	-26.4	174.9	-64.3	138.8	0	0	0	113	D74 T77	D74-H79 HydrophobicContact CB-CB 4.4Å; D74-H79 PolarHBondContact O-N 3.38Å; T77-H79 VanDerWaalsContact C-N 3.31Å; T77-H79 PolarHBondContact OG1-ND1 3.01Å
80	A	89.3	Confident	91.8	Very high	12 Å²	12	75 Å²	75	10%	0.099	41%	0.414	C	S	.	.			trans	-140.4	151.2	173.4	0	0	0	0	0	111.4	D74 I75 G78	D74-A80 HydrophobicContact CB-CB 3.95Å; D74-A80 PolarHBondContact O-N 3.1Å; D74-A80 VanDerWaalsContact O-N 3.09Å; I75-A80 WeakPolarHBondContact CA-O 3.3Å; G78-A80 VanDerWaalsContact C-N 3.32Å
81	R	91	Very high	92	Very high	183 Å²	183	79 Å²	79	69%	0.691	44%	0.437	S	S	*	.			trans	-101.6	161	166.9	-61.2	177.6	178	-176.3	0	109.9	S83 D84 I85	R81-S83 WeakPolarHBondContact CB-OG 3.31Å; R81-S83 PolarHBondContact O-N 2.97Å; R81-D84 WeakPolarHBondContact CB-OD2 3.49Å; R81-D84 PolarHBondContact N-OD2 2.94Å; R81-D84 WeakPolarHBondContact O-CB 3.33Å; R81-D84 PolarHBondContact O-N 3.44Å; R81-I85 PolarHBondContact O-N 2.72Å
82	L	88.7	Confident	92.2	Very high	117 Å²	117	82.7 Å²	82.7	61%	0.613	46%	0.456	S	S	*	.	H	α-helix	trans	-54.7	-34.6	171	-70.8	173	0	0	0	112.2	I75 D84 W86	I75-L82 HydrophobicContact CD1-CD2 3.57Å; I75-L82 HydrophobicContact CD1-CG 4.26Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 2.88Å; L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 2.89Å
83	S	90.8	Very high	92.5	Very high	66 Å²	66	81.6 Å²	81.6	46%	0.462	45%	0.45	S	S	.	.	H	α-helix	trans	-61.7	-33.9	174.5	54.5	0	0	0	0	113	R81 A87	R81-S83 WeakPolarHBondContact CB-OG 3.31Å; R81-S83 PolarHBondContact O-N 2.97Å; S83-A87 VanDerWaalsContact O-CB 3.22Å; S83-A87 WeakPolarHBondContact O-CB 3.46Å; S83-A87 PolarHBondContact O-N 3.37Å
84	D	90.8	Very high	92.7	Very high	68 Å²	68	87.9 Å²	87.9	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-77.8	-39.5	-175	-51.7	-28	0	0	0	110.3	R81 L82 W86 A87 K88	R81-D84 WeakPolarHBondContact CB-OD2 3.49Å; R81-D84 PolarHBondContact N-OD2 2.94Å; R81-D84 WeakPolarHBondContact O-CB 3.33Å; R81-D84 PolarHBondContact O-N 3.44Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 2.88Å; D84-W86 VanDerWaalsContact C-N 3.35Å; D84-A87 PolarHBondContact O-N 2.71Å; D84-K88 WeakPolarHBondContact O-CG 3.45Å; D84-K88 PolarHBondContact O-N 3.44Å
85	I	89.9	Confident	92.9	Very high	14 Å²	14	91 Å²	91	7%	0.072	48%	0.477	C	S	.	.	H	α-helix	trans	-61.2	-47.3	171.4	-62.3	174.3	0	0	0	109.6	Q63 P71 I75 R81 K88 T89	Q63-I85 PolarHBondContact NE2-O 3.02Å; Q63-I85 VanDerWaalsContact NE2-O 3.08Å; P71-I85 HydrophobicContact CB-CD1 4.27Å; I75-I85 HydrophobicContact CD1-CD1 3.91Å; I75-I85 HydrophobicContact CG1-CD1 4.22Å; R81-I85 PolarHBondContact O-N 2.72Å; I85-K88 PolarHBondContact O-N 3.11Å; I85-T89 PolarHBondContact O-N 3.28Å; I85-T89 PolarHBondContact O-OG1 3.03Å; I85-T89 VanDerWaalsContact O-OG1 3.1Å
86	W	92.3	Very high	93.2	Very high	153 Å²	153	87.9 Å²	87.9	58%	0.58	46%	0.46	S	S	*	.	H	α-helix	trans	-63.7	-39.9	178.3	-176.4	-96.2	0	0	0	112.9	Y55 L82 D84 K88 T89 W182	Y55-W86 HydrophobicContact CE2-CE3 4.28Å; Y55-W86 AromaticContact CE2-CZ3 3.98Å; Y55-W86 HydrophobicContact CE2-CZ3 3.98Å; Y55-W86 AromaticContact CZ-CE3 3.89Å; L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 2.89Å; D84-W86 VanDerWaalsContact C-N 3.35Å; W86-K88 PolarHBondContact O-N 2.91Å; W86-T89 VanDerWaalsContact O-CB 3.25Å; W86-T89 WeakPolarHBondContact O-CB 3.09Å; W86-T89 PolarHBondContact O-N 2.87Å; W86-T89 PolarHBondContact O-OG1 2.9Å; W86-W182 AromaticContact CH2-CH2 3.67Å; W86-W182 HydrophobicContact CH2-CH2 3.67Å; W86-W182 HydrophobicContact CH2-CZ2 4.03Å; W86-W182 AromaticContact CZ3-CH2 3.8Å; W86-W182 HydrophobicContact CZ3-CH2 3.8Å; W86-W182 HydrophobicContact CZ3-CZ2 4.2Å
87	A	93.1	Very high	93.4	Very high	83 Å²	83	83.8 Å²	83.8	69%	0.686	44%	0.439	S	S	*	.	H	α-helix	trans	-64.3	-27.7	179.2	0	0	0	0	0	112.8	S83 D84	S83-A87 VanDerWaalsContact O-CB 3.22Å; S83-A87 WeakPolarHBondContact O-CB 3.46Å; S83-A87 PolarHBondContact O-N 3.37Å; D84-A87 PolarHBondContact O-N 2.71Å
88	K	92.6	Very high	93.6	Very high	142 Å²	142	85.8 Å²	85.8	62%	0.617	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11	175.5	-71	175.7	-174.4	176.3	0	113.3	D84 I85 W86 P90	D84-K88 WeakPolarHBondContact O-CG 3.45Å; D84-K88 PolarHBondContact O-N 3.44Å; I85-K88 PolarHBondContact O-N 3.11Å; W86-K88 PolarHBondContact O-N 2.91Å; K88-P90 VanDerWaalsContact O-CD 3.29Å; K88-P90 WeakPolarHBondContact O-CD 3.38Å
89	T	94.8	Very high	94	Very high	14 Å²	14	85.3 Å²	85.3	9%	0.086	43%	0.426	C	S	.	.	S	Bend	trans	-70.1	121.4	-179	-59.8	0	0	0	0	110.8	Y55 M59 I85 W86 I178 W182	Y55-T89 HydrophobicContact CE2-CG2 3.87Å; Y55-T89 PolarHBondContact OH-OG1 3.37Å; M59-T89 HydrophobicContact CE-CG2 4.22Å; M59-T89 WeakPolarHBondContact CE-OG1 3.45Å; M59-T89 HydrophobicContact SD-CG2 4Å; I85-T89 PolarHBondContact O-N 3.28Å; I85-T89 PolarHBondContact O-OG1 3.03Å; I85-T89 VanDerWaalsContact O-OG1 3.1Å; W86-T89 VanDerWaalsContact O-CB 3.25Å; W86-T89 WeakPolarHBondContact O-CB 3.09Å; W86-T89 PolarHBondContact O-N 2.87Å; W86-T89 PolarHBondContact O-OG1 2.9Å; T89-I178 HydrophobicContact CG2-CG2 3.96Å; T89-W182 HydrophobicContact CG2-CZ2 3.8Å
90	P	95.7	Very high	94.4	Very high	43 Å²	43	79.7 Å²	79.7	28%	0.279	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-56.6	127	176.5	-28.4	36.9	0	0	0	112	K88 I178 P179 W182	K88-P90 VanDerWaalsContact O-CD 3.29Å; K88-P90 WeakPolarHBondContact O-CD 3.38Å; P90-I178 HydrophobicContact CB-CB 4.23Å; P90-I178 HydrophobicContact CB-CG2 4.21Å; P90-I178 HydrophobicContact CG-CB 4.2Å; P90-I178 HydrophobicContact CG-CD1 3.91Å; P90-I178 HydrophobicContact CG-CG2 4.35Å; P90-P179 HydrophobicContact CB-CG 4.16Å; P90-W182 PolarHBondContact O-NE1 3.44Å; P90-W182 VanDerWaalsContact O-NE1 3.08Å
91	P	96.4	Very high	94.8	Very high	95 Å²	95	83.3 Å²	83.3	62%	0.617	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-73.5	167.8	177.1	31.9	-35.6	0	0	0	110.7	T93	P91-T93 PolarHBondContact O-N 3.04Å
92	I	96.3	Very high	95.1	Very high	85 Å²	85	80.3 Å²	80.3	44%	0.436	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-58	130.8	170.3	-167.9	168.3	0	0	0	110.4	W182 I186	I92-W182 HydrophobicContact CB-CB 4.32Å; I92-I186 HydrophobicContact CD1-CD1 3.91Å
93	T	97.7	Very high	95.6	Very high	51 Å²	51	76.7 Å²	76.7	31%	0.313	40%	0.395	S	S	.	.			trans	-109.4	151.8	178.8	70.5	0	0	0	0	110.5	P91 K95 A96 A97 P179	P91-T93 PolarHBondContact O-N 3.04Å; T93-K95 PolarHBondContact O-N 3.1Å; T93-A96 PolarHBondContact O-N 3.28Å; T93-A96 WeakPolarHBondContact OG1-CB 3.24Å; T93-A96 PolarHBondContact OG1-N 3.33Å; T93-A96 VanDerWaalsContact OG1-N 3.11Å; T93-A97 PolarHBondContact O-N 2.92Å; T93-P179 HydrophobicContact CG2-CB 4.26Å; T93-P179 HydrophobicContact CG2-CG 4.01Å
94	R	97.5	Very high	95.9	Very high	206 Å²	206	74.6 Å²	74.6	78%	0.777	38%	0.38	S	S	*	.	H	α-helix	trans	-56.5	-40.1	173.9	178.2	-179	-84.7	-149.8	-2.8	111.4	A97 Q98	R94-A97 PolarHBondContact O-N 3.12Å; R94-Q98 HydrophobicContact CG-CG 4.39Å; R94-Q98 WeakPolarHBondContact O-CB 3.36Å; R94-Q98 VanDerWaalsContact O-CG 3.29Å; R94-Q98 WeakPolarHBondContact O-CG 3.46Å; R94-Q98 PolarHBondContact O-N 3.45Å
95	K	96.8	Very high	96.3	Very high	111 Å²	111	74.7 Å²	74.7	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-50	178.4	-176.1	178	177.9	179.8	0	111.1	T93 A97 Q98 L99	T93-K95 PolarHBondContact O-N 3.1Å; K95-A97 PolarHBondContact O-N 3.37Å; K95-Q98 PolarHBondContact O-N 2.98Å; K95-L99 HydrophobicContact CG-CD1 4.04Å; K95-L99 HydrophobicContact CG-CG 4.49Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.03Å
96	A	97.6	Very high	96.6	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-63.4	-41.9	178.7	0	0	0	0	0	112.4	T93 Q98 L99 Y100 N176 P179 L180	T93-A96 PolarHBondContact O-N 3.28Å; T93-A96 WeakPolarHBondContact OG1-CB 3.24Å; T93-A96 PolarHBondContact OG1-N 3.33Å; T93-A96 VanDerWaalsContact OG1-N 3.11Å; A96-Q98 VanDerWaalsContact C-N 3.34Å; A96-Q98 PolarHBondContact O-N 3.33Å; A96-L99 PolarHBondContact O-N 2.91Å; A96-Y100 WeakPolarHBondContact O-CB 3.44Å; A96-Y100 PolarHBondContact O-N 2.89Å; A96-N176 HydrophobicContact CB-CB 4.36Å; A96-P179 HydrophobicContact CB-CB 3.34Å; A96-L180 HydrophobicContact CB-CD2 4.16Å; A96-L180 HydrophobicContact CB-CG 4.32Å
97	A	97.9	Very high	96.9	Very high	34 Å²	34	69.4 Å²	69.4	28%	0.281	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.8	0	0	0	0	0	112.1	T93 R94 K95 T101	T93-A97 PolarHBondContact O-N 2.92Å; R94-A97 PolarHBondContact O-N 3.12Å; K95-A97 PolarHBondContact O-N 3.37Å; A97-T101 VanDerWaalsContact O-CB 3.27Å; A97-T101 WeakPolarHBondContact O-CB 3.27Å; A97-T101 PolarHBondContact O-N 2.86Å; A97-T101 PolarHBondContact O-OG1 3.24Å
98	Q	97.9	Very high	97.1	Very high	117 Å²	117	67.6 Å²	67.6	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-46.1	175.5	-74.5	173.4	-32.4	0	0	111.9	R94 K95 A96 T101 L102	R94-Q98 HydrophobicContact CG-CG 4.39Å; R94-Q98 WeakPolarHBondContact O-CB 3.36Å; R94-Q98 VanDerWaalsContact O-CG 3.29Å; R94-Q98 WeakPolarHBondContact O-CG 3.46Å; R94-Q98 PolarHBondContact O-N 3.45Å; K95-Q98 PolarHBondContact O-N 2.98Å; A96-Q98 VanDerWaalsContact C-N 3.34Å; A96-Q98 PolarHBondContact O-N 3.33Å; Q98-T101 PolarHBondContact O-N 3.2Å; Q98-L102 VanDerWaalsContact O-CB 3.3Å; Q98-L102 WeakPolarHBondContact O-CB 3.31Å; Q98-L102 PolarHBondContact O-N 2.89Å
99	L	97.4	Very high	97.3	Very high	51 Å²	51	65.4 Å²	65.4	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-48.5	178.2	-71.8	170	0	0	0	111.5	K95 A96 L102 W103 I172 L180	K95-L99 HydrophobicContact CG-CD1 4.04Å; K95-L99 HydrophobicContact CG-CG 4.49Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.03Å; A96-L99 PolarHBondContact O-N 2.91Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-W103 WeakPolarHBondContact O-CB 3.36Å; L99-W103 PolarHBondContact O-N 3Å; L99-I172 HydrophobicContact CD1-CD1 3.74Å; L99-I172 HydrophobicContact CD1-CG1 3.72Å; L99-I172 HydrophobicContact CD2-CD1 3.63Å; L99-I172 HydrophobicContact CD2-CG1 4.41Å; L99-I172 HydrophobicContact CG-CD1 4.33Å; L99-L180 HydrophobicContact CB-CD2 4.41Å
100	Y	97.8	Very high	97.5	Very high	28 Å²	28	65.3 Å²	65.3	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-39.9	-178.5	-159.5	-104.4	0	0	0	111.8	A96 W103 V104 L180 C183 A184 L187	A96-Y100 WeakPolarHBondContact O-CB 3.44Å; A96-Y100 PolarHBondContact O-N 2.89Å; Y100-W103 WeakPolarHBondContact O-CB 3.3Å; Y100-W103 PolarHBondContact O-N 3.01Å; Y100-V104 HydrophobicContact CD1-CG2 4.15Å; Y100-V104 HydrophobicContact CE1-CG2 3.94Å; Y100-V104 WeakPolarHBondContact O-CG2 3.34Å; Y100-V104 PolarHBondContact O-N 2.81Å; Y100-L180 HydrophobicContact CD2-CD2 4.01Å; Y100-L180 HydrophobicContact CG-CD2 4.4Å; Y100-C183 HydrophobicContact CD1-CB 3.58Å; Y100-C183 HydrophobicContact CD2-CB 4.27Å; Y100-C183 HydrophobicContact CE1-CB 4.21Å; Y100-C183 HydrophobicContact CG-CB 3.6Å; Y100-A184 HydrophobicContact CE2-CB 4.14Å; Y100-A184 WeakPolarHBondContact OH-CA 3.41Å; Y100-A184 WeakPolarHBondContact OH-CB 3.42Å; Y100-L187 HydrophobicContact CE1-CB 3.94Å; Y100-L187 HydrophobicContact CE1-CD2 3.63Å; Y100-L187 HydrophobicContact CE1-CG 4.45Å
101	T	98.1	Very high	97.5	Very high	88 Å²	88	63.6 Å²	63.6	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.2	-57.9	0	0	0	0	111.2	A97 Q98 T105	A97-T101 VanDerWaalsContact O-CB 3.27Å; A97-T101 WeakPolarHBondContact O-CB 3.27Å; A97-T101 PolarHBondContact O-N 2.86Å; A97-T101 PolarHBondContact O-OG1 3.24Å; Q98-T101 PolarHBondContact O-N 3.2Å; T101-T105 VanDerWaalsContact O-CB 3.24Å; T101-T105 WeakPolarHBondContact O-CB 3.42Å; T101-T105 PolarHBondContact O-N 3.36Å; T101-T105 PolarHBondContact O-OG1 2.96Å
102	L	97.6	Very high	97.4	Very high	121 Å²	121	62.6 Å²	62.6	63%	0.634	32%	0.318	S	S	*	.	H	α-helix	trans	-63.2	-43.4	177	-178.4	63.2	0	0	0	111.1	Q98 L99 T105 F106	Q98-L102 VanDerWaalsContact O-CB 3.3Å; Q98-L102 WeakPolarHBondContact O-CB 3.31Å; Q98-L102 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 3.41Å; L102-T105 PolarHBondContact O-N 3.28Å; L102-F106 WeakPolarHBondContact O-CB 3.3Å; L102-F106 PolarHBondContact O-N 3.35Å
103	W	97.8	Very high	97.3	Very high	41 Å²	41	62.7 Å²	62.7	16%	0.155	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-54.4	176	167.5	-117.7	0	0	0	112	L99 Y100 T105 F106 Q107 T154 P243 V246 A247 L250	L99-W103 WeakPolarHBondContact O-CB 3.36Å; L99-W103 PolarHBondContact O-N 3Å; Y100-W103 WeakPolarHBondContact O-CB 3.3Å; Y100-W103 PolarHBondContact O-N 3.01Å; W103-T105 VanDerWaalsContact C-N 3.35Å; W103-T105 PolarHBondContact O-N 3.14Å; W103-F106 HydrophobicContact CE3-CD1 4.43Å; W103-F106 HydrophobicContact CZ3-CD1 4.35Å; W103-F106 WeakPolarHBondContact O-CB 3.42Å; W103-F106 PolarHBondContact O-N 2.79Å; W103-Q107 HydrophobicContact CD2-CG 4.01Å; W103-Q107 HydrophobicContact CE3-CG 4.11Å; W103-Q107 VanDerWaalsContact CH2-CD 3.5Å; W103-Q107 HydrophobicContact CH2-CG 3.71Å; W103-Q107 HydrophobicContact CZ2-CG 3.55Å; W103-Q107 HydrophobicContact CZ3-CG 3.98Å; W103-Q107 WeakPolarHBondContact O-CG 3.38Å; W103-Q107 PolarHBondContact O-N 3.27Å; W103-T154 HydrophobicContact CH2-CG2 3.97Å; W103-T154 HydrophobicContact CZ3-CG2 3.68Å; W103-P243 PolarHBondContact NE1-O 2.91Å; W103-V246 HydrophobicContact CH2-CB 3.96Å; W103-V246 HydrophobicContact CH2-CG1 3.74Å; W103-V246 HydrophobicContact CZ2-CB 4.21Å; W103-V246 HydrophobicContact CZ2-CG1 4.48Å; W103-A247 HydrophobicContact CZ2-CB 3.69Å; W103-L250 HydrophobicContact CH2-CD1 3.9Å; W103-L250 HydrophobicContact CZ3-CD1 3.74Å
104	V	98	Very high	97.1	Very high	22 Å²	22	61.7 Å²	61.7	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-41.1	-177.8	175.8	0	0	0	0	110.4	Y100 F106 Q107 V108 L187	Y100-V104 HydrophobicContact CD1-CG2 4.15Å; Y100-V104 HydrophobicContact CE1-CG2 3.94Å; Y100-V104 WeakPolarHBondContact O-CG2 3.34Å; Y100-V104 PolarHBondContact O-N 2.81Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 3.15Å; V104-Q107 PolarHBondContact O-N 2.93Å; V104-V108 HydrophobicContact CG1-CG2 4.43Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.23Å; V104-V108 PolarHBondContact O-N 3.24Å; V104-L187 HydrophobicContact CG1-CD2 4.29Å; V104-L187 HydrophobicContact CG2-CD2 3.76Å
105	T	98.1	Very high	96.8	Very high	70 Å²	70	54.7 Å²	54.7	43%	0.429	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-44.8	175.8	-57.1	0	0	0	0	111.1	T101 L102 W103 Q107 V108 L109	T101-T105 VanDerWaalsContact O-CB 3.24Å; T101-T105 WeakPolarHBondContact O-CB 3.42Å; T101-T105 PolarHBondContact O-N 3.36Å; T101-T105 PolarHBondContact O-OG1 2.96Å; L102-T105 PolarHBondContact O-N 3.28Å; W103-T105 VanDerWaalsContact C-N 3.35Å; W103-T105 PolarHBondContact O-N 3.14Å; T105-Q107 PolarHBondContact O-N 2.51Å; T105-V108 PolarHBondContact O-N 2.99Å; T105-L109 HydrophobicContact CG2-CD1 4.31Å; T105-L109 VanDerWaalsContact O-CG 3.32Å; T105-L109 WeakPolarHBondContact O-CG 3.18Å; T105-L109 PolarHBondContact O-N 3.44Å
106	F	97.9	Very high	96.5	Very high	56 Å²	56	49.5 Å²	49.5	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-46.5	175.8	176.1	-115	0	0	0	111.4	L102 W103 V104 V108 L109 L110 T154 L157	L102-F106 WeakPolarHBondContact O-CB 3.3Å; L102-F106 PolarHBondContact O-N 3.35Å; W103-F106 HydrophobicContact CE3-CD1 4.43Å; W103-F106 HydrophobicContact CZ3-CD1 4.35Å; W103-F106 WeakPolarHBondContact O-CB 3.42Å; W103-F106 PolarHBondContact O-N 2.79Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 3.15Å; F106-V108 PolarHBondContact O-N 3.41Å; F106-L109 WeakPolarHBondContact O-CB 3.14Å; F106-L109 PolarHBondContact O-N 3.3Å; F106-L110 HydrophobicContact CD1-CD1 4.19Å; F106-L110 HydrophobicContact CD2-CG 4.4Å; F106-L110 HydrophobicContact CE1-CD1 3.59Å; F106-L110 HydrophobicContact CE1-CG 4.27Å; F106-L110 HydrophobicContact CE2-CD1 4.16Å; F106-L110 HydrophobicContact CE2-CD2 3.96Å; F106-L110 HydrophobicContact CE2-CG 4.04Å; F106-L110 HydrophobicContact CZ-CD1 3.57Å; F106-L110 HydrophobicContact CZ-CD2 4.08Å; F106-L110 HydrophobicContact CZ-CG 3.98Å; F106-L110 WeakPolarHBondContact O-CG 3.33Å; F106-L110 PolarHBondContact O-N 3.4Å; F106-T154 HydrophobicContact CE1-CG2 4.35Å; F106-T154 WeakPolarHBondContact CE1-OG1 3.37Å; F106-L157 HydrophobicContact CE2-CD1 4.25Å; F106-L157 HydrophobicContact CZ-CD1 3.74Å
107	Q	98	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-38.6	176	-71.4	-53.4	-47	0	0	112.8	W103 V104 T105 L110 Y111 T154 F238 R242	W103-Q107 HydrophobicContact CD2-CG 4.01Å; W103-Q107 HydrophobicContact CE3-CG 4.11Å; W103-Q107 VanDerWaalsContact CH2-CD 3.5Å; W103-Q107 HydrophobicContact CH2-CG 3.71Å; W103-Q107 HydrophobicContact CZ2-CG 3.55Å; W103-Q107 HydrophobicContact CZ3-CG 3.98Å; W103-Q107 WeakPolarHBondContact O-CG 3.38Å; W103-Q107 PolarHBondContact O-N 3.27Å; V104-Q107 PolarHBondContact O-N 2.93Å; T105-Q107 PolarHBondContact O-N 2.51Å; Q107-L110 PolarHBondContact O-N 2.86Å; Q107-Y111 VanDerWaalsContact O-CB 3.26Å; Q107-Y111 WeakPolarHBondContact O-CB 3.22Å; Q107-Y111 PolarHBondContact O-N 3.46Å; Q107-T154 PolarHBondContact NE2-OG1 3.42Å; Q107-F238 HydrophobicContact CB-CE2 4.13Å; Q107-F238 HydrophobicContact CB-CZ 4.25Å; Q107-R242 HydrophobicContact CB-CB 4.13Å; Q107-R242 HydrophobicContact CG-CB 4.47Å
108	V	97.6	Very high	95.9	Very high	45 Å²	45	53.5 Å²	53.5	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-44.5	173.3	168.8	0	0	0	0	110.7	V104 T105 F106 Y111 T112 F233 F238	V104-V108 HydrophobicContact CG1-CG2 4.43Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.23Å; V104-V108 PolarHBondContact O-N 3.24Å; T105-V108 PolarHBondContact O-N 2.99Å; F106-V108 PolarHBondContact O-N 3.41Å; V108-Y111 PolarHBondContact O-N 3.44Å; V108-T112 HydrophobicContact CG1-CG2 4.34Å; V108-T112 WeakPolarHBondContact O-CB 3.35Å; V108-T112 WeakPolarHBondContact O-CG2 3.09Å; V108-T112 PolarHBondContact O-N 3.08Å; V108-T112 PolarHBondContact O-OG1 3.15Å; V108-F233 HydrophobicContact CG1-CE2 4.19Å; V108-F233 HydrophobicContact CG2-CE2 4.22Å; V108-F233 HydrophobicContact CG2-CZ 4.49Å; V108-F238 HydrophobicContact CB-CE2 4.47Å; V108-F238 HydrophobicContact CB-CZ 4.44Å; V108-F238 HydrophobicContact CG2-CE1 4.1Å; V108-F238 HydrophobicContact CG2-CE2 3.86Å; V108-F238 HydrophobicContact CG2-CZ 3.44Å; V108-F238 VanDerWaalsContact CG2-CZ 3.44Å
109	L	97.3	Very high	95.5	Very high	96 Å²	96	51.2 Å²	51.2	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-44.8	178	-70.4	173.3	0	0	0	111.4	T105 F106 T112 S113	T105-L109 HydrophobicContact CG2-CD1 4.31Å; T105-L109 VanDerWaalsContact O-CG 3.32Å; T105-L109 WeakPolarHBondContact O-CG 3.18Å; T105-L109 PolarHBondContact O-N 3.44Å; F106-L109 WeakPolarHBondContact O-CB 3.14Å; F106-L109 PolarHBondContact O-N 3.3Å; L109-T112 PolarHBondContact O-OG1 2.86Å; L109-S113 WeakPolarHBondContact O-CA 3.48Å; L109-S113 WeakPolarHBondContact O-CB 3.15Å; L109-S113 PolarHBondContact O-N 3.21Å; L109-S113 PolarHBondContact O-OG 2.83Å
110	L	97.1	Very high	95.3	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-48.3	174.7	-64.9	-172.8	0	0	0	111.1	F106 Q107 T112 L114 N146 A150 L153	F106-L110 HydrophobicContact CD1-CD1 4.19Å; F106-L110 HydrophobicContact CD2-CG 4.4Å; F106-L110 HydrophobicContact CE1-CD1 3.59Å; F106-L110 HydrophobicContact CE1-CG 4.27Å; F106-L110 HydrophobicContact CE2-CD1 4.16Å; F106-L110 HydrophobicContact CE2-CD2 3.96Å; F106-L110 HydrophobicContact CE2-CG 4.04Å; F106-L110 HydrophobicContact CZ-CD1 3.57Å; F106-L110 HydrophobicContact CZ-CD2 4.08Å; F106-L110 HydrophobicContact CZ-CG 3.98Å; F106-L110 WeakPolarHBondContact O-CG 3.33Å; F106-L110 PolarHBondContact O-N 3.4Å; Q107-L110 PolarHBondContact O-N 2.86Å; L110-T112 VanDerWaalsContact C-N 3.33Å; L110-T112 PolarHBondContact O-N 3.08Å; L110-L114 HydrophobicContact CD2-CD2 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.01Å; L110-L114 PolarHBondContact O-N 3.04Å; L110-L114 VanDerWaalsContact O-N 3.09Å; L110-N146 PolarHBondContact O-ND2 2.83Å; L110-N146 VanDerWaalsContact O-ND2 3.1Å; L110-A150 HydrophobicContact CB-CB 4.12Å; L110-A150 HydrophobicContact CD1-CB 3.94Å; L110-L153 HydrophobicContact CD2-CD2 3.7Å
111	Y	96.6	Very high	95	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.027	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-41.3	-178.4	-178.2	-112.5	0	0	0	112.9	Q107 V108 N146 F233 D234 L237 F238 R242	Q107-Y111 VanDerWaalsContact O-CB 3.26Å; Q107-Y111 WeakPolarHBondContact O-CB 3.22Å; Q107-Y111 PolarHBondContact O-N 3.46Å; V108-Y111 PolarHBondContact O-N 3.44Å; Y111-N146 PolarHBondContact O-ND2 3.18Å; Y111-F233 AromaticContact CD1-CD2 3.7Å; Y111-F233 HydrophobicContact CD1-CD2 3.7Å; Y111-F233 AromaticContact CD1-CE2 3.8Å; Y111-F233 HydrophobicContact CD1-CE2 3.8Å; Y111-F233 AromaticContact CE1-CD2 3.85Å; Y111-F233 HydrophobicContact CE1-CD2 3.85Å; Y111-F233 HydrophobicContact CE1-CE2 4.19Å; Y111-F233 HydrophobicContact CE1-CG 4.25Å; Y111-D234 PolarHBondContact OH-N 3.44Å; Y111-D234 PolarHBondContact OH-O 2.99Å; Y111-L237 HydrophobicContact CE2-CD2 4.15Å; Y111-L237 HydrophobicContact CE2-CG 4.29Å; Y111-F238 HydrophobicContact CD1-CB 4.16Å; Y111-F238 AromaticContact CD1-CD2 3.71Å; Y111-F238 HydrophobicContact CD1-CD2 3.71Å; Y111-F238 HydrophobicContact CD1-CG 4.29Å; Y111-F238 HydrophobicContact CD2-CD2 4.31Å; Y111-F238 HydrophobicContact CE1-CB 3.93Å; Y111-F238 HydrophobicContact CE1-CD2 4.34Å; Y111-F238 AromaticContact CG-CD2 3.68Å; Y111-F238 HydrophobicContact CG-CD2 3.68Å; Y111-F238 HydrophobicContact CG-CE2 4.46Å; Y111-R242 HydrophobicContact CD2-CG 4.09Å; Y111-R242 HydrophobicContact CG-CG 4.45Å
112	T	94.6	Very high	94.7	Very high	74 Å²	74	60.5 Å²	60.5	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-87	-35.3	-175	54.5	0	0	0	0	114.4	V108 L109 L110 F233	V108-T112 HydrophobicContact CG1-CG2 4.34Å; V108-T112 WeakPolarHBondContact O-CB 3.35Å; V108-T112 WeakPolarHBondContact O-CG2 3.09Å; V108-T112 PolarHBondContact O-N 3.08Å; V108-T112 PolarHBondContact O-OG1 3.15Å; L109-T112 PolarHBondContact O-OG1 2.86Å; L110-T112 VanDerWaalsContact C-N 3.33Å; L110-T112 PolarHBondContact O-N 3.08Å; T112-F233 HydrophobicContact CG2-CD2 3.68Å; T112-F233 HydrophobicContact CG2-CE2 4.33Å
113	S	93.9	Very high	94.4	Very high	86 Å²	86	60.4 Å²	60.4	60%	0.601	32%	0.32	S	S	*	.	H	α-helix	trans	-111.4	-17.3	-166.3	-52.6	0	0	0	0	113.4	L109 P115	L109-S113 WeakPolarHBondContact O-CA 3.48Å; L109-S113 WeakPolarHBondContact O-CB 3.15Å; L109-S113 PolarHBondContact O-N 3.21Å; L109-S113 PolarHBondContact O-OG 2.83Å; S113-P115 WeakPolarHBondContact O-CD 3.31Å
114	L	93.7	Very high	94	Very high	31 Å²	31	61.8 Å²	61.8	16%	0.162	35%	0.347	C	S	.	.			trans	-84.5	109.1	-179.2	-167.4	68.9	0	0	0	110.1	L110 N146 Q149 A150	L110-L114 HydrophobicContact CD2-CD2 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.01Å; L110-L114 PolarHBondContact O-N 3.04Å; L110-L114 VanDerWaalsContact O-N 3.09Å; L114-N146 PolarHBondContact O-ND2 2.71Å; L114-Q149 VanDerWaalsContact CD1-NE2 3.31Å; L114-Q149 HydrophobicContact CD2-CB 4.15Å; L114-Q149 HydrophobicContact CD2-CG 3.94Å; L114-Q149 VanDerWaalsContact CG-NE2 3.3Å; L114-A150 HydrophobicContact CD2-CB 4.28Å
115	P	91	Very high	93.8	Very high	58 Å²	58	61.2 Å²	61.2	38%	0.377	34%	0.343	S	S	.	.			trans	-66.9	146.2	166.2	30.2	-35.4	0	0	0	109.6	S113 F117 Q149	S113-P115 WeakPolarHBondContact O-CD 3.31Å; P115-F117 HydrophobicContact CB-CE2 4.38Å; P115-F117 HydrophobicContact CB-CZ 4.34Å; P115-F117 HydrophobicContact CG-CD2 4.23Å; P115-F117 HydrophobicContact CG-CE1 4.43Å; P115-F117 HydrophobicContact CG-CE2 3.46Å; P115-F117 VanDerWaalsContact CG-CE2 3.46Å; P115-F117 HydrophobicContact CG-CZ 3.56Å; P115-F117 PolarHBondContact O-N 3.37Å; P115-Q149 PolarHBondContact O-NE2 3.17Å; P115-Q149 PolarHBondContact O-OE1 3.33Å
116	D	91.5	Very high	93.5	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	34%	0.341	C	S	.	.			trans	-79.5	118.4	172.3	-175.9	68.8	0	0	0	108.5	H119 Y125 G128 I145 N146	D116-H119 PolarHBondContact O-CE1 2.94Å; D116-H119 PolarHBondContact O-ND1 2.91Å; D116-H119 WeakPolarHBondContact OD2-CB 3.36Å; D116-H119 IonicContact OD2-CE1 3.93Å; D116-H119 IonicContact OD2-CG 3.31Å; D116-H119 VanDerWaalsContact OD2-CG 3.31Å; D116-H119 PolarHBondContact OD2-N 2.86Å; D116-H119 IonicContact OD2-ND1 2.73Å; D116-H119 PolarHBondContact OD2-ND1 2.87Å; D116-Y125 PolarHBondContact OD1-OH 3.2Å; D116-G128 PolarHBondContact OD2-N 3.42Å; D116-I145 WeakPolarHBondContact CB-O 3.44Å; D116-N146 HydrophobicContact CB-CB 3.94Å
117	F	92.3	Very high	93.3	Very high	100 Å²	100	58.6 Å²	58.6	44%	0.439	33%	0.332	S	S	.	.			trans	-102.4	-23.2	171.5	-66.7	-69.7	0	0	0	111.1	P115 H119 K120 F121	P115-F117 HydrophobicContact CB-CE2 4.38Å; P115-F117 HydrophobicContact CB-CZ 4.34Å; P115-F117 HydrophobicContact CG-CD2 4.23Å; P115-F117 HydrophobicContact CG-CE1 4.43Å; P115-F117 HydrophobicContact CG-CE2 3.46Å; P115-F117 VanDerWaalsContact CG-CE2 3.46Å; P115-F117 HydrophobicContact CG-CZ 3.56Å; P115-F117 PolarHBondContact O-N 3.37Å; F117-H119 VanDerWaalsContact C-N 3.26Å; F117-H119 PolarHBondContact O-N 3.39Å; F117-K120 WeakPolarHBondContact O-CB 3.44Å; F117-K120 PolarHBondContact O-N 3.06Å; F117-F121 HydrophobicContact CB-CE2 4.49Å; F117-F121 VanDerWaalsContact O-CD2 3.3Å; F117-F121 WeakPolarHBondContact O-CD2 3.44Å
118	C	90.1	Very high	93.1	Very high	18 Å²	18	58.8 Å²	58.8	12%	0.122	33%	0.333	C	S	.	.	H	α-helix	trans	-53.8	-40.3	179.6	-74.7	0	0	0	0	112.4	K120 F121 L122 Y125	C118-K120 PolarHBondContact O-N 2.05Å; C118-K120 VanDerWaalsContact O-N 3.11Å; C118-F121 PolarHBondContact O-N 2.72Å; C118-F121 VanDerWaalsContact O-N 3.14Å; C118-L122 HydrophobicContact CB-CD1 3.84Å; C118-L122 WeakPolarHBondContact O-CB 3.43Å; C118-L122 WeakPolarHBondContact O-CG 3.34Å; C118-L122 PolarHBondContact O-N 3.36Å; C118-Y125 HydrophobicContact CB-CD1 3.96Å; C118-Y125 HydrophobicContact CB-CE1 3.65Å
119	H	90	Very high	93	Very high	69 Å²	69	61.1 Å²	61.1	32%	0.319	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-20.6	177.5	75.1	-87.7	0	0	0	114.8	D116 F117 Y125	D116-H119 PolarHBondContact O-CE1 2.94Å; D116-H119 PolarHBondContact O-ND1 2.91Å; D116-H119 WeakPolarHBondContact OD2-CB 3.36Å; D116-H119 IonicContact OD2-CE1 3.93Å; D116-H119 IonicContact OD2-CG 3.31Å; D116-H119 VanDerWaalsContact OD2-CG 3.31Å; D116-H119 PolarHBondContact OD2-N 2.86Å; D116-H119 IonicContact OD2-ND1 2.73Å; D116-H119 PolarHBondContact OD2-ND1 2.87Å; F117-H119 VanDerWaalsContact C-N 3.26Å; F117-H119 PolarHBondContact O-N 3.39Å; H119-Y125 HydrophobicContact CB-CD1 4.12Å; H119-Y125 HydrophobicContact CB-CE1 4.26Å
120	K	91.4	Very high	92.9	Very high	136 Å²	136	59.1 Å²	59.1	59%	0.591	33%	0.331	S	S	*	.	H	α-helix	trans	-80.8	-25.6	179.8	-60.7	-174.1	179.4	179.5	0	112.6	F117 C118	F117-K120 WeakPolarHBondContact O-CB 3.44Å; F117-K120 PolarHBondContact O-N 3.06Å; C118-K120 PolarHBondContact O-N 2.05Å; C118-K120 VanDerWaalsContact O-N 3.11Å
121	F	92.1	Very high	92.8	Very high	167 Å²	167	64.5 Å²	64.5	73%	0.732	36%	0.356	S	S	*	.	H	α-helix	trans	-114.6	-26.4	-171.4	-59.2	-73.3	0	0	0	113.3	F117 C118 P123	F117-F121 HydrophobicContact CB-CE2 4.49Å; F117-F121 VanDerWaalsContact O-CD2 3.3Å; F117-F121 WeakPolarHBondContact O-CD2 3.44Å; C118-F121 PolarHBondContact O-N 2.72Å; C118-F121 VanDerWaalsContact O-N 3.14Å; F121-P123 WeakPolarHBondContact O-CD 3.49Å
122	L	92.5	Very high	92.6	Very high	59 Å²	59	64.8 Å²	64.8	31%	0.309	36%	0.361	S	S	.	.	S	Bend	trans	-92.1	109.8	-177.2	-63.4	178.5	0	0	0	110.3	C118 G124 Y125 L148 W286	C118-L122 HydrophobicContact CB-CD1 3.84Å; C118-L122 WeakPolarHBondContact O-CB 3.43Å; C118-L122 WeakPolarHBondContact O-CG 3.34Å; C118-L122 PolarHBondContact O-N 3.36Å; L122-G124 PolarHBondContact O-N 2.95Å; L122-Y125 HydrophobicContact CB-CD1 4.46Å; L122-Y125 HydrophobicContact CB-CG 4.49Å; L122-Y125 HydrophobicContact CD1-CD1 4.35Å; L122-Y125 PolarHBondContact O-N 2.81Å; L122-L148 HydrophobicContact CD1-CD2 3.84Å; L122-W286 HydrophobicContact CB-CH2 4.09Å; L122-W286 HydrophobicContact CB-CZ3 4.47Å; L122-W286 HydrophobicContact CD1-CH2 4.36Å; L122-W286 HydrophobicContact CD1-CZ3 3.91Å
123	P	90.9	Very high	92.5	Very high	118 Å²	118	63.4 Å²	63.4	77%	0.766	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	133.2	177.5	27.4	-33.3	0	0	0	110.3	F121 Y125	F121-P123 WeakPolarHBondContact O-CD 3.49Å; P123-Y125 VanDerWaalsContact C-N 3.26Å; P123-Y125 PolarHBondContact O-N 3.4Å
124	G	88.4	Confident	92.3	Very high	70 Å²	70	63.7 Å²	63.7	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-9.1	178.7	0	0	0	0	0	115.6	L122	L122-G124 PolarHBondContact O-N 2.95Å
125	Y	93.9	Very high	92.1	Very high	11 Å²	11	62.4 Å²	62.4	4%	0.043	35%	0.349	C	S	.	.			trans	-80.8	125.2	171.5	173.9	-117.4	0	0	0	110.3	D116 C118 H119 L122 P123 L148 F285 W286	D116-Y125 PolarHBondContact OD1-OH 3.2Å; C118-Y125 HydrophobicContact CB-CD1 3.96Å; C118-Y125 HydrophobicContact CB-CE1 3.65Å; H119-Y125 HydrophobicContact CB-CD1 4.12Å; H119-Y125 HydrophobicContact CB-CE1 4.26Å; L122-Y125 HydrophobicContact CB-CD1 4.46Å; L122-Y125 HydrophobicContact CB-CG 4.49Å; L122-Y125 HydrophobicContact CD1-CD1 4.35Å; L122-Y125 PolarHBondContact O-N 2.81Å; P123-Y125 VanDerWaalsContact C-N 3.26Å; P123-Y125 PolarHBondContact O-N 3.4Å; Y125-L148 HydrophobicContact CD2-CD2 4.06Å; Y125-L148 HydrophobicContact CE1-CD2 4.45Å; Y125-L148 HydrophobicContact CE2-CB 4.09Å; Y125-L148 HydrophobicContact CE2-CD2 3.94Å; Y125-L148 HydrophobicContact CG-CD2 4.38Å; Y125-F285 WeakPolarHBondContact CE2-O 3.41Å; Y125-W286 HydrophobicContact CD2-CD2 4.2Å; Y125-W286 HydrophobicContact CD2-CE3 4.44Å; Y125-W286 HydrophobicContact CD2-CG 4.35Å; Y125-W286 VanDerWaalsContact CD2-O 3.24Å; Y125-W286 WeakPolarHBondContact CD2-O 3.45Å; Y125-W286 WeakPolarHBondContact CE2-O 3.35Å
126	V	93.6	Very high	91.8	Very high	67 Å²	67	63 Å²	63	41%	0.406	35%	0.353	S	S	.	.			trans	-102.4	93.3	178.1	-174.1	0	0	0	0	108.2	T289	V126-T289 HydrophobicContact CG1-CG2 3.88Å; V126-T289 PolarHBondContact O-OG1 2.99Å
127	G	92.6	Very high	91.6	Very high	4 Å²	4	63.1 Å²	63.1	4%	0.041	35%	0.354	C	S	.	.			trans	-120.1	-164.4	175.9	0	0	0	0	0	112.7	Q130	G127-Q130 PolarHBondContact O-NE2 3.32Å
128	G	93.8	Very high	91.4	Very high	3 Å²	3	61 Å²	61	3%	0.031	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-154.6	-180	0	0	0	0	0	113.3	D116 Q130 I145	D116-G128 PolarHBondContact OD2-N 3.42Å; G128-Q130 PolarHBondContact O-N 3.42Å; G128-I145 PolarHBondContact N-O 3.13Å; G128-I145 WeakPolarHBondContact O-CB 3.18Å; G128-I145 PolarHBondContact O-N 2.88Å
129	I	95.3	Very high	91.4	Very high	94 Å²	94	62.9 Å²	62.9	48%	0.482	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.3	-179.2	-61.7	170.7	0	0	0	109.1	K142 Y143 W232	I129-K142 HydrophobicContact CG2-CB 4.23Å; I129-K142 HydrophobicContact CG2-CD 4.22Å; I129-Y143 CarbonylContact C-O 3.58Å; I129-Y143 WeakPolarHBondContact CA-O 3.43Å; I129-W232 HydrophobicContact CD1-CH2 4.06Å; I129-W232 HydrophobicContact CG1-CH2 4.45Å; I129-W232 HydrophobicContact CG1-CZ3 4.46Å; I129-W232 HydrophobicContact CG2-CH2 4.43Å; I129-W232 HydrophobicContact CG2-CZ3 4.38Å
130	Q	96.1	Very high	91.5	Very high	55 Å²	55	62.6 Å²	62.6	26%	0.257	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.3	179.3	-59.5	-59.4	-34.6	0	0	111.1	G127 G128 K142 Y143 I145 T289 L292	G127-Q130 PolarHBondContact O-NE2 3.32Å; G128-Q130 PolarHBondContact O-N 3.42Å; Q130-K142 WeakPolarHBondContact O-CA 3.45Å; Q130-Y143 PolarHBondContact N-O 2.95Å; Q130-Y143 PolarHBondContact O-N 3.28Å; Q130-I145 HydrophobicContact CB-CG1 3.9Å; Q130-I145 HydrophobicContact CG-CB 4.38Å; Q130-I145 HydrophobicContact CG-CG1 3.76Å; Q130-T289 HydrophobicContact CB-CG2 4.2Å; Q130-T289 HydrophobicContact CG-CG2 3.95Å; Q130-L292 HydrophobicContact CB-CD1 4.05Å
131	E	95.3	Very high	91.6	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.584	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	133.6	177	-62.5	-169.9	155.7	0	0	110.1	V140 K142	E131-V140 HydrophobicContact CB-CG1 3.84Å; E131-V140 HydrophobicContact CG-CG1 4.21Å; E131-K142 HydrophobicContact CG-CG 4.49Å
132	G	92.8	Very high	91.7	Very high	13 Å²	13	54.1 Å²	54.1	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-174	170.6	0	0	0	0	0	112.4	N141	G132-N141 PolarHBondContact N-O 3.16Å
133	A	90.6	Very high	91.9	Very high	45 Å²	45	51.5 Å²	51.5	37%	0.372	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	156.3	174.9	0	0	0	0	0	112.9	T135 C298	A133-T135 PolarHBondContact O-N 2.95Å; A133-C298 HydrophobicContact CB-CB 4.32Å; A133-C298 WeakPolarHBondContact CB-SG 3.33Å
134	V	90.9	Very high	92	Very high	91 Å²	91	47.9 Å²	47.9	55%	0.552	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	123.6	172.6	-174.7	0	0	0	0	108.7	V139 V140	V134-V139 WeakPolarHBondContact CA-O 3.5Å; V134-V140 HydrophobicContact CG2-CG2 3.83Å
135	T	89.7	Confident	92.4	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.031	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.5	162.8	174.6	75.3	0	0	0	0	111.3	A133 A137 G138 V139 D208 F225	A133-T135 PolarHBondContact O-N 2.95Å; T135-A137 PolarHBondContact O-N 2.9Å; T135-A137 VanDerWaalsContact O-N 3.15Å; T135-A137 PolarHBondContact OG1-N 3.43Å; T135-G138 WeakPolarHBondContact O-CA 3.5Å; T135-G138 PolarHBondContact O-N 3.11Å; T135-V139 HydrophobicContact CG2-CB 4.44Å; T135-V139 WeakPolarHBondContact CG2-O 3.42Å; T135-V139 PolarHBondContact N-O 3.11Å; T135-V139 PolarHBondContact OG1-N 2.79Å; T135-D208 WeakPolarHBondContact CB-OD1 3.4Å; T135-D208 PolarHBondContact OG1-OD1 2.82Å; T135-D208 PolarHBondContact OG1-OD2 3.01Å; T135-F225 HydrophobicContact CG2-CD1 4.08Å; T135-F225 HydrophobicContact CG2-CE1 4.01Å
136	P	84.2	Confident	92.5	Very high	70 Å²	70	44 Å²	44	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31	172.2	-30.9	38.8	0	0	0	114.5	W29 G138 D208	W29-P136 HydrophobicContact CD2-CG 3.99Å; W29-P136 HydrophobicContact CE3-CB 4.43Å; W29-P136 HydrophobicContact CE3-CG 3.17Å; W29-P136 HydrophobicContact CH2-CG 3.79Å; W29-P136 VanDerWaalsContact CZ3-CD 3.42Å; W29-P136 HydrophobicContact CZ3-CG 3.08Å; P136-G138 PolarHBondContact O-N 3.46Å; P136-D208 VanDerWaalsContact CD-OD1 3.31Å; P136-D208 WeakPolarHBondContact CD-OD1 3.5Å
137	A	87.6	Confident	92.7	Very high	6 Å²	6	40.9 Å²	40.9	5%	0.05	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.3	173.3	0	0	0	0	0	114.3	T135 V139 S205 R207 D208	T135-A137 PolarHBondContact O-N 2.9Å; T135-A137 VanDerWaalsContact O-N 3.15Å; T135-A137 PolarHBondContact OG1-N 3.43Å; A137-V139 HydrophobicContact CB-CG2 4.22Å; A137-S205 WeakPolarHBondContact CB-OG 3.18Å; A137-R207 HydrophobicContact CB-CB 3.71Å; A137-R207 PolarHBondContact O-NH1 3.28Å; A137-R207 VanDerWaalsContact O-NH1 3.15Å; A137-R207 PolarHBondContact O-NH2 2.7Å; A137-D208 VanDerWaalsContact CB-CG 3.44Å; A137-D208 VanDerWaalsContact CB-OD1 3.25Å; A137-D208 WeakPolarHBondContact CB-OD1 3.26Å; A137-D208 WeakPolarHBondContact CB-OD2 3.09Å; A137-D208 PolarHBondContact N-OD1 3Å
138	G	88.2	Confident	92.8	Very high	55 Å²	55	41 Å²	41	57%	0.567	24%	0.241	S	C	*	.	S	Bend	trans	80.1	19.1	-176.7	0	0	0	0	0	113.8	T135 P136	T135-G138 WeakPolarHBondContact O-CA 3.5Å; T135-G138 PolarHBondContact O-N 3.11Å; P136-G138 PolarHBondContact O-N 3.46Å
139	V	89.6	Confident	92.9	Very high	58 Å²	58	42.3 Å²	42.3	35%	0.352	25%	0.246	S	C	.	.			trans	-93.1	136.1	-178.5	-178.8	0	0	0	0	109.8	V134 T135 A137	V134-V139 WeakPolarHBondContact CA-O 3.5Å; T135-V139 HydrophobicContact CG2-CB 4.44Å; T135-V139 WeakPolarHBondContact CG2-O 3.42Å; T135-V139 PolarHBondContact N-O 3.11Å; T135-V139 PolarHBondContact OG1-N 2.79Å; A137-V139 HydrophobicContact CB-CG2 4.22Å
140	V	92.6	Very high	93	Very high	63 Å²	63	37.8 Å²	37.8	38%	0.382	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	108.8	169.9	179.4	0	0	0	0	108.5	E131 V134	E131-V140 HydrophobicContact CB-CG1 3.84Å; E131-V140 HydrophobicContact CG-CG1 4.21Å; V134-V140 HydrophobicContact CG2-CG2 3.83Å
141	N	93.1	Very high	93.1	Very high	24 Å²	24	36.5 Å²	36.5	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138	179.4	-78.9	-25.8	0	0	0	111	G132 Y143	G132-N141 PolarHBondContact N-O 3.16Å; N141-Y143 HydrophobicContact CB-CD2 4.48Å; N141-Y143 HydrophobicContact CB-CE2 3.61Å; N141-Y143 WeakPolarHBondContact O-CD2 3.32Å; N141-Y143 WeakPolarHBondContact O-CE2 3.48Å
142	K	95.1	Very high	93.2	Very high	101 Å²	101	33.7 Å²	33.7	44%	0.439	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144.1	171.9	-63.3	-171.5	177.7	-170.8	0	110.6	I129 Q130 E131 R228 W232	I129-K142 HydrophobicContact CG2-CB 4.23Å; I129-K142 HydrophobicContact CG2-CD 4.22Å; Q130-K142 WeakPolarHBondContact O-CA 3.45Å; E131-K142 HydrophobicContact CG-CG 4.49Å; K142-R228 PolarHBondContact O-NH1 3.45Å; K142-W232 HydrophobicContact CB-CH2 4.5Å; K142-W232 HydrophobicContact CB-CZ3 4.09Å
143	Y	95.1	Very high	93.4	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.8	-177.6	-61.8	-96.7	0	0	0	109.8	I129 Q130 N141 R228 D234 L237 L292	I129-Y143 CarbonylContact C-O 3.58Å; I129-Y143 WeakPolarHBondContact CA-O 3.43Å; Q130-Y143 PolarHBondContact N-O 2.95Å; Q130-Y143 PolarHBondContact O-N 3.28Å; N141-Y143 HydrophobicContact CB-CD2 4.48Å; N141-Y143 HydrophobicContact CB-CE2 3.61Å; N141-Y143 WeakPolarHBondContact O-CD2 3.32Å; N141-Y143 WeakPolarHBondContact O-CE2 3.48Å; Y143-R228 PolarHBondContact OH-NH2 3.36Å; Y143-D234 HydrophobicContact CD1-CB 4.22Å; Y143-D234 HydrophobicContact CE1-CB 3.86Å; Y143-L237 HydrophobicContact CD1-CB 4.27Å; Y143-L237 HydrophobicContact CD1-CD2 3.57Å; Y143-L237 HydrophobicContact CE1-CB 4.37Å; Y143-L237 HydrophobicContact CE1-CD2 4.43Å; Y143-L237 HydrophobicContact CG-CD2 4.22Å; Y143-L292 HydrophobicContact CD1-CD2 3.82Å; Y143-L292 HydrophobicContact CD2-CD1 3.88Å; Y143-L292 HydrophobicContact CD2-CD2 3.84Å; Y143-L292 HydrophobicContact CD2-CG 4.48Å; Y143-L292 HydrophobicContact CE1-CD2 4.08Å; Y143-L292 HydrophobicContact CE2-CD2 4.17Å; Y143-L292 HydrophobicContact CG-CD1 4.13Å; Y143-L292 HydrophobicContact CG-CD2 3.66Å
144	Q	94.6	Very high	93.7	Very high	42 Å²	42	34.2 Å²	34.2	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	105.7	171.2	-176	78.6	16.5	0	0	108.3	N146	Q144-N146 PolarHBondContact O-N 3.21Å
145	I	96.4	Very high	94	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	97	-179.5	-55.3	-51.8	0	0	0	108.8	D116 G128 Q130 L237 E288 L292	D116-I145 WeakPolarHBondContact CB-O 3.44Å; G128-I145 PolarHBondContact N-O 3.13Å; G128-I145 WeakPolarHBondContact O-CB 3.18Å; G128-I145 PolarHBondContact O-N 2.88Å; Q130-I145 HydrophobicContact CB-CG1 3.9Å; Q130-I145 HydrophobicContact CG-CB 4.38Å; Q130-I145 HydrophobicContact CG-CG1 3.76Å; I145-L237 HydrophobicContact CD1-CD2 3.9Å; I145-E288 HydrophobicContact CD1-CG 4.36Å; I145-E288 HydrophobicContact CG2-CB 3.8Å; I145-E288 HydrophobicContact CG2-CG 3.92Å; I145-E288 VanDerWaalsContact CG2-OE2 3.24Å; I145-E288 WeakPolarHBondContact CG2-OE2 3.37Å; I145-L292 HydrophobicContact CD1-CD1 4.06Å; I145-L292 HydrophobicContact CD1-CD2 4.23Å; I145-L292 HydrophobicContact CD1-CG 4.24Å; I145-L292 HydrophobicContact CG1-CD1 4.48Å
146	N	96.3	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.			trans	-131.6	13.4	-176	67.5	1.5	0	0	0	112.9	L110 Y111 L114 D116 Q144 L148 Q149 A150 R242	L110-N146 PolarHBondContact O-ND2 2.83Å; L110-N146 VanDerWaalsContact O-ND2 3.1Å; Y111-N146 PolarHBondContact O-ND2 3.18Å; L114-N146 PolarHBondContact O-ND2 2.71Å; D116-N146 HydrophobicContact CB-CB 3.94Å; Q144-N146 PolarHBondContact O-N 3.21Å; N146-L148 PolarHBondContact O-N 3.4Å; N146-Q149 PolarHBondContact O-N 3.15Å; N146-A150 WeakPolarHBondContact O-CB 3.32Å; N146-A150 PolarHBondContact O-N 3.48Å; N146-R242 PolarHBondContact OD1-NH2 3Å
147	G	95.9	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-41.2	-171	0	0	0	0	0	112.7	Q149 A150 W151 E288	G147-Q149 PolarHBondContact O-N 3.02Å; G147-A150 PolarHBondContact O-N 3.29Å; G147-W151 VanDerWaalsContact O-CB 3.31Å; G147-W151 WeakPolarHBondContact O-CB 3.32Å; G147-W151 PolarHBondContact O-N 3.46Å; G147-E288 WeakPolarHBondContact CA-OE2 3.33Å; G147-E288 PolarHBondContact N-OE2 2.73Å
148	L	96.3	Very high	95.4	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-45.6	176.7	-175.9	61.8	0	0	0	111.8	L122 Y125 N146 W151 L152 F285 W286	L122-L148 HydrophobicContact CD1-CD2 3.84Å; Y125-L148 HydrophobicContact CD2-CD2 4.06Å; Y125-L148 HydrophobicContact CE1-CD2 4.45Å; Y125-L148 HydrophobicContact CE2-CB 4.09Å; Y125-L148 HydrophobicContact CE2-CD2 3.94Å; Y125-L148 HydrophobicContact CG-CD2 4.38Å; N146-L148 PolarHBondContact O-N 3.4Å; L148-W151 PolarHBondContact O-N 3.28Å; L148-L152 HydrophobicContact CG-CD1 4.24Å; L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 3.19Å; L148-L152 PolarHBondContact O-N 3.49Å; L148-F285 HydrophobicContact CB-CB 4.1Å; L148-F285 HydrophobicContact CD1-CB 4.14Å; L148-W286 HydrophobicContact CD2-CE3 3.77Å; L148-W286 HydrophobicContact CD2-CZ3 4.21Å
149	Q	96.1	Very high	95.8	Very high	30 Å²	30	38.3 Å²	38.3	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-40.2	178	-166	177.9	-55.2	0	0	112.1	L114 P115 N146 G147 W151 L152 L153	L114-Q149 VanDerWaalsContact CD1-NE2 3.31Å; L114-Q149 HydrophobicContact CD2-CB 4.15Å; L114-Q149 HydrophobicContact CD2-CG 3.94Å; L114-Q149 VanDerWaalsContact CG-NE2 3.3Å; P115-Q149 PolarHBondContact O-NE2 3.17Å; P115-Q149 PolarHBondContact O-OE1 3.33Å; N146-Q149 PolarHBondContact O-N 3.15Å; G147-Q149 PolarHBondContact O-N 3.02Å; Q149-W151 VanDerWaalsContact C-N 3.34Å; Q149-L152 PolarHBondContact O-N 3.47Å; Q149-L153 WeakPolarHBondContact O-CB 3.47Å; Q149-L153 PolarHBondContact O-N 2.85Å
150	A	97.3	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-42.2	175.6	0	0	0	0	0	111.5	L110 L114 N146 G147 T154	L110-A150 HydrophobicContact CB-CB 4.12Å; L110-A150 HydrophobicContact CD1-CB 3.94Å; L114-A150 HydrophobicContact CD2-CB 4.28Å; N146-A150 WeakPolarHBondContact O-CB 3.32Å; N146-A150 PolarHBondContact O-N 3.48Å; G147-A150 PolarHBondContact O-N 3.29Å; A150-T154 VanDerWaalsContact O-CB 3.26Å; A150-T154 WeakPolarHBondContact O-CB 3.5Å; A150-T154 PolarHBondContact O-N 2.97Å; A150-T154 PolarHBondContact O-OG1 2.91Å
151	W	97.6	Very high	96.3	Very high	27 Å²	27	34 Å²	34	10%	0.102	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-49.1	175.3	-177.1	93.3	0	0	0	111.3	G147 L148 Q149 L153 T154 H155 T249 I282 F285	G147-W151 VanDerWaalsContact O-CB 3.31Å; G147-W151 WeakPolarHBondContact O-CB 3.32Å; G147-W151 PolarHBondContact O-N 3.46Å; L148-W151 PolarHBondContact O-N 3.28Å; Q149-W151 VanDerWaalsContact C-N 3.34Å; W151-L153 PolarHBondContact O-N 2.83Å; W151-T154 WeakPolarHBondContact O-CB 3.46Å; W151-T154 PolarHBondContact O-N 3.26Å; W151-H155 AromaticContact CD1-CE1 3.4Å; W151-H155 AromaticContact CD1-ND1 3.69Å; W151-H155 AromaticContact CD2-CE1 3.9Å; W151-H155 AromaticContact CD2-ND1 3.56Å; W151-H155 AromaticContact CE2-CE1 3.33Å; W151-H155 AromaticContact CE2-CG 3.85Å; W151-H155 AromaticContact CE2-ND1 3.39Å; W151-H155 AromaticContact CE2-NE2 3.72Å; W151-H155 AromaticContact CG-CE1 3.93Å; W151-H155 AromaticContact CG-ND1 3.75Å; W151-H155 AromaticContact CZ2-CD2 3.77Å; W151-H155 AromaticContact CZ2-CE1 3.85Å; W151-H155 AromaticContact CZ2-CG 3.84Å; W151-H155 AromaticContact CZ2-ND1 3.87Å; W151-H155 AromaticContact CZ2-NE2 3.79Å; W151-H155 AromaticContact NE1-CE1 3.01Å; W151-H155 PolarHBondContact NE1-CE1 2.88Å; W151-H155 AromaticContact NE1-ND1 3.5Å; W151-H155 PolarHBondContact NE1-ND1 3.47Å; W151-H155 AromaticContact NE1-NE2 3.58Å; W151-H155 PolarHBondContact O-N 3.34Å; W151-H155 PolarHBondContact O-ND1 2.91Å; W151-T249 PolarHBondContact NE1-OG1 3.35Å; W151-I282 HydrophobicContact CE3-CG1 4.41Å; W151-I282 HydrophobicContact CH2-CD1 3.62Å; W151-I282 HydrophobicContact CH2-CG1 3.77Å; W151-I282 HydrophobicContact CZ2-CD1 4.11Å; W151-I282 HydrophobicContact CZ2-CG1 3.92Å; W151-I282 HydrophobicContact CZ3-CD1 4.07Å; W151-I282 HydrophobicContact CZ3-CG1 4.01Å; W151-F285 HydrophobicContact CB-CD2 3.87Å; W151-F285 HydrophobicContact CB-CE2 3.97Å; W151-F285 HydrophobicContact CB-CG 4.48Å; W151-F285 AromaticContact CD1-CD2 3.77Å; W151-F285 AromaticContact CD1-CE2 3.45Å; W151-F285 VanDerWaalsContact CD1-CE2 3.45Å; W151-F285 AromaticContact CG-CD2 3.87Å; W151-F285 HydrophobicContact CG-CD2 3.87Å; W151-F285 AromaticContact CG-CE2 3.92Å; W151-F285 HydrophobicContact CG-CE2 3.92Å
152	L	96.8	Very high	96.3	Very high	67 Å²	67	34.1 Å²	34.1	35%	0.351	17%	0.173	S	C	.	.	H	α-helix	trans	-57.5	-50.8	178.2	-75.8	169.2	0	0	0	111.4	L148 Q149 T154 H155 L156	L148-L152 HydrophobicContact CG-CD1 4.24Å; L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 3.19Å; L148-L152 PolarHBondContact O-N 3.49Å; Q149-L152 PolarHBondContact O-N 3.47Å; L152-T154 VanDerWaalsContact C-N 3.33Å; L152-T154 PolarHBondContact O-N 2.92Å; L152-H155 PolarHBondContact O-N 3.49Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.47Å
153	L	97.3	Very high	96.3	Very high	63 Å²	63	35.7 Å²	35.7	33%	0.33	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-43.8	179.6	179.9	59.9	0	0	0	111.4	L110 Q149 W151 H155 L156 L157	L110-L153 HydrophobicContact CD2-CD2 3.7Å; Q149-L153 WeakPolarHBondContact O-CB 3.47Å; Q149-L153 PolarHBondContact O-N 2.85Å; W151-L153 PolarHBondContact O-N 2.83Å; L153-H155 PolarHBondContact O-N 3.16Å; L153-L156 PolarHBondContact O-N 3.26Å; L153-L157 HydrophobicContact CD1-CD1 4.14Å; L153-L157 HydrophobicContact CD1-CG 4.21Å; L153-L157 HydrophobicContact CG-CD1 4.1Å; L153-L157 WeakPolarHBondContact O-CB 3.23Å; L153-L157 VanDerWaalsContact O-CG 3.22Å; L153-L157 WeakPolarHBondContact O-CG 3.19Å; L153-L157 PolarHBondContact O-N 3.39Å
154	T	97.4	Very high	96.3	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-58.8	-46.1	177.7	-61.8	0	0	0	0	111.7	W103 F106 Q107 A150 W151 L152 W158 V246 L250	W103-T154 HydrophobicContact CH2-CG2 3.97Å; W103-T154 HydrophobicContact CZ3-CG2 3.68Å; F106-T154 HydrophobicContact CE1-CG2 4.35Å; F106-T154 WeakPolarHBondContact CE1-OG1 3.37Å; Q107-T154 PolarHBondContact NE2-OG1 3.42Å; A150-T154 VanDerWaalsContact O-CB 3.26Å; A150-T154 WeakPolarHBondContact O-CB 3.5Å; A150-T154 PolarHBondContact O-N 2.97Å; A150-T154 PolarHBondContact O-OG1 2.91Å; W151-T154 WeakPolarHBondContact O-CB 3.46Å; W151-T154 PolarHBondContact O-N 3.26Å; L152-T154 VanDerWaalsContact C-N 3.33Å; L152-T154 PolarHBondContact O-N 2.92Å; T154-W158 PolarHBondContact O-N 2.79Å; T154-W158 VanDerWaalsContact O-N 3.1Å; T154-V246 HydrophobicContact CG2-CG1 3.8Å; T154-L250 HydrophobicContact CG2-CD1 3.63Å; T154-L250 HydrophobicContact CG2-CD2 4.44Å; T154-L250 HydrophobicContact CG2-CG 4.29Å
155	H	97.4	Very high	96.3	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.032	23%	0.225	C	C	.	.	H	α-helix	trans	-74	-39.7	-178.2	-73.5	70.7	0	0	0	112.2	W151 L152 L153 L157 W158 F159 T249	W151-H155 AromaticContact CD1-CE1 3.4Å; W151-H155 AromaticContact CD1-ND1 3.69Å; W151-H155 AromaticContact CD2-CE1 3.9Å; W151-H155 AromaticContact CD2-ND1 3.56Å; W151-H155 AromaticContact CE2-CE1 3.33Å; W151-H155 AromaticContact CE2-CG 3.85Å; W151-H155 AromaticContact CE2-ND1 3.39Å; W151-H155 AromaticContact CE2-NE2 3.72Å; W151-H155 AromaticContact CG-CE1 3.93Å; W151-H155 AromaticContact CG-ND1 3.75Å; W151-H155 AromaticContact CZ2-CD2 3.77Å; W151-H155 AromaticContact CZ2-CE1 3.85Å; W151-H155 AromaticContact CZ2-CG 3.84Å; W151-H155 AromaticContact CZ2-ND1 3.87Å; W151-H155 AromaticContact CZ2-NE2 3.79Å; W151-H155 AromaticContact NE1-CE1 3.01Å; W151-H155 PolarHBondContact NE1-CE1 2.88Å; W151-H155 AromaticContact NE1-ND1 3.5Å; W151-H155 PolarHBondContact NE1-ND1 3.47Å; W151-H155 AromaticContact NE1-NE2 3.58Å; W151-H155 PolarHBondContact O-N 3.34Å; W151-H155 PolarHBondContact O-ND1 2.91Å; L152-H155 PolarHBondContact O-N 3.49Å; L153-H155 PolarHBondContact O-N 3.16Å; H155-L157 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 3.03Å; H155-W158 PolarHBondContact O-N 3.4Å; H155-W158 VanDerWaalsContact O-N 3.15Å; H155-F159 WeakPolarHBondContact O-CD2 3.22Å; H155-F159 PolarHBondContact O-N 3.17Å; H155-T249 PolarHBondContact CE1-OG1 2.94Å; H155-T249 WeakPolarHBondContact NE2-CB 3.47Å; H155-T249 PolarHBondContact NE2-OG1 3.48Å
156	L	97.3	Very high	96.2	Very high	114 Å²	114	48.1 Å²	48.1	60%	0.597	26%	0.256	S	S	*	.	H	α-helix	trans	-59.4	-41.8	174.1	-73.1	172.5	0	0	0	111.3	L152 L153 F159 A160	L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.47Å; L153-L156 PolarHBondContact O-N 3.26Å; L156-F159 PolarHBondContact O-N 2.87Å; L156-A160 VanDerWaalsContact O-CB 3.23Å; L156-A160 WeakPolarHBondContact O-CB 3.41Å; L156-A160 PolarHBondContact O-N 3.38Å
157	L	96.7	Very high	96.1	Very high	80 Å²	80	57.5 Å²	57.5	42%	0.419	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-40.7	174.9	-72.5	171.5	0	0	0	112	F106 L153 H155 N161	F106-L157 HydrophobicContact CE2-CD1 4.25Å; F106-L157 HydrophobicContact CZ-CD1 3.74Å; L153-L157 HydrophobicContact CD1-CD1 4.14Å; L153-L157 HydrophobicContact CD1-CG 4.21Å; L153-L157 HydrophobicContact CG-CD1 4.1Å; L153-L157 WeakPolarHBondContact O-CB 3.23Å; L153-L157 VanDerWaalsContact O-CG 3.22Å; L153-L157 WeakPolarHBondContact O-CG 3.19Å; L153-L157 PolarHBondContact O-N 3.39Å; H155-L157 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 3.03Å; L157-N161 WeakPolarHBondContact O-CB 3.26Å; L157-N161 PolarHBondContact O-N 3.1Å
158	W	96.4	Very high	96	Very high	22 Å²	22	61.5 Å²	61.5	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-45.8	175.6	-174.1	94.7	0	0	0	112	T154 H155 N161 A162 P170 L250 L253	T154-W158 PolarHBondContact O-N 2.79Å; T154-W158 VanDerWaalsContact O-N 3.1Å; H155-W158 PolarHBondContact O-N 3.4Å; H155-W158 VanDerWaalsContact O-N 3.15Å; W158-N161 WeakPolarHBondContact O-CB 3.3Å; W158-N161 PolarHBondContact O-N 2.99Å; W158-A162 HydrophobicContact CE3-CB 4.38Å; W158-A162 HydrophobicContact CH2-CB 4.35Å; W158-A162 HydrophobicContact CZ3-CB 4.16Å; W158-A162 WeakPolarHBondContact O-CB 3.38Å; W158-A162 PolarHBondContact O-N 3.44Å; W158-P170 HydrophobicContact CH2-CB 4.29Å; W158-P170 HydrophobicContact CZ2-CB 3.8Å; W158-L250 HydrophobicContact CB-CD2 3.79Å; W158-L250 HydrophobicContact CG-CD2 3.77Å; W158-L253 HydrophobicContact CD2-CD1 4.42Å; W158-L253 HydrophobicContact CE3-CD1 4Å; W158-L253 HydrophobicContact CH2-CB 3.82Å; W158-L253 HydrophobicContact CZ2-CB 3.89Å; W158-L253 HydrophobicContact CZ3-CB 4.2Å; W158-L253 HydrophobicContact CZ3-CD1 4.08Å; W158-L253 HydrophobicContact CZ3-CD2 4.48Å; W158-L253 HydrophobicContact CZ3-CG 4.49Å
159	F	96.6	Very high	96	Very high	90 Å²	90	63.5 Å²	63.5	40%	0.395	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-43.1	176.5	-81	-66.6	0	0	0	112.1	H155 L156 N161 A162 H163 L253	H155-F159 WeakPolarHBondContact O-CD2 3.22Å; H155-F159 PolarHBondContact O-N 3.17Å; L156-F159 PolarHBondContact O-N 2.87Å; F159-N161 VanDerWaalsContact C-N 3.28Å; F159-N161 PolarHBondContact O-N 3.41Å; F159-A162 PolarHBondContact O-N 2.86Å; F159-H163 PolarHBondContact O-CD2 3.34Å; F159-H163 PolarHBondContact O-N 3.15Å; F159-L253 HydrophobicContact CE2-CD1 4.46Å; F159-L253 HydrophobicContact CZ-CD1 4.3Å; F159-L253 HydrophobicContact CZ-CD2 4.39Å
160	A	97.1	Very high	96	Very high	29 Å²	29	63.9 Å²	63.9	24%	0.24	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-40.9	174.3	0	0	0	0	0	111	L156 L164 L165	L156-A160 VanDerWaalsContact O-CB 3.23Å; L156-A160 WeakPolarHBondContact O-CB 3.41Å; L156-A160 PolarHBondContact O-N 3.38Å; A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.3Å; A160-L164 WeakPolarHBondContact O-CB 3.39Å; A160-L164 PolarHBondContact O-N 3.43Å; A160-L165 HydrophobicContact CB-CD1 4.38Å; A160-L165 PolarHBondContact O-N 3.33Å
161	N	95.9	Very high	96.1	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.011	33%	0.33	C	S	.	.	I	π-helix	trans	-62.2	-48.9	172.8	174.8	74.8	0	0	0	112.2	L157 W158 F159 H163 S166 W167 F168	L157-N161 WeakPolarHBondContact O-CB 3.26Å; L157-N161 PolarHBondContact O-N 3.1Å; W158-N161 WeakPolarHBondContact O-CB 3.3Å; W158-N161 PolarHBondContact O-N 2.99Å; F159-N161 VanDerWaalsContact C-N 3.28Å; F159-N161 PolarHBondContact O-N 3.41Å; N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 PolarHBondContact O-N 2.84Å; N161-S166 WeakPolarHBondContact O-CA 3.27Å; N161-S166 PolarHBondContact O-N 3.23Å; N161-W167 WeakPolarHBondContact OD1-CA 3.5Å; N161-W167 WeakPolarHBondContact OD1-CB 3.31Å; N161-W167 PolarHBondContact OD1-N 3.13Å; N161-F168 HydrophobicContact CB-CE1 3.97Å; N161-F168 HydrophobicContact CB-CZ 3.93Å; N161-F168 VanDerWaalsContact CG-CE1 3.43Å; N161-F168 WeakPolarHBondContact ND2-CD2 3.32Å; N161-F168 WeakPolarHBondContact ND2-CE2 3.16Å; N161-F168 WeakPolarHBondContact ND2-CZ 3.29Å; N161-F168 PolarHBondContact ND2-O 2.85Å; N161-F168 WeakPolarHBondContact OD1-CD1 3.22Å; N161-F168 PolarHBondContact OD1-N 3.02Å; N161-F168 VanDerWaalsContact OD1-N 3.14Å
162	A	93.4	Very high	96.1	Very high	25 Å²	25	63.7 Å²	63.7	21%	0.207	33%	0.33	C	S	.	.	I	π-helix	trans	-66.2	-29.5	-175	0	0	0	0	0	114	W158 F159 P170	W158-A162 HydrophobicContact CE3-CB 4.38Å; W158-A162 HydrophobicContact CH2-CB 4.35Å; W158-A162 HydrophobicContact CZ3-CB 4.16Å; W158-A162 WeakPolarHBondContact O-CB 3.38Å; W158-A162 PolarHBondContact O-N 3.44Å; F159-A162 PolarHBondContact O-N 2.86Å; A162-P170 HydrophobicContact CB-CB 4.41Å; A162-P170 HydrophobicContact CB-CG 3.87Å
163	H	94	Very high	96.1	Very high	135 Å²	135	62 Å²	62	63%	0.625	32%	0.321	S	S	*	.	I	π-helix	trans	-111.8	-25.5	-173.9	-66.8	-66.5	0	0	0	115.3	F159 N161	F159-H163 PolarHBondContact O-CD2 3.34Å; F159-H163 PolarHBondContact O-N 3.15Å; N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 PolarHBondContact O-N 2.84Å
164	L	95.5	Very high	96.2	Very high	142 Å²	142	60.2 Å²	60.2	74%	0.743	31%	0.31	S	S	*	.	I	π-helix	trans	-120.2	-51.6	-171.8	-53.8	175.2	0	0	0	112.2	A160	A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.3Å; A160-L164 WeakPolarHBondContact O-CB 3.39Å; A160-L164 PolarHBondContact O-N 3.43Å
165	L	94.9	Very high	96.2	Very high	70 Å²	70	63.3 Å²	63.3	37%	0.366	33%	0.327	S	S	.	.	I	π-helix	trans	-88.8	-34.3	-166.2	-53	170	0	0	0	113.3	A160 W167	A160-L165 HydrophobicContact CB-CD1 4.38Å; A160-L165 PolarHBondContact O-N 3.33Å; L165-W167 HydrophobicContact CB-CD2 3.93Å; L165-W167 HydrophobicContact CB-CG 3.96Å; L165-W167 HydrophobicContact CB-CZ2 4.44Å; L165-W167 HydrophobicContact CD1-CD2 4.04Å; L165-W167 HydrophobicContact CD1-CE3 3.99Å; L165-W167 HydrophobicContact CD1-CH2 3.78Å; L165-W167 HydrophobicContact CD1-CZ2 3.81Å; L165-W167 HydrophobicContact CD1-CZ3 3.86Å; L165-W167 HydrophobicContact CD2-CZ2 4.07Å; L165-W167 HydrophobicContact CG-CZ2 4.33Å; L165-W167 PolarHBondContact O-N 3.43Å; L165-W167 VanDerWaalsContact O-N 3.17Å
166	S	94	Very high	96.2	Very high	95 Å²	95	63.6 Å²	63.6	66%	0.664	33%	0.329	S	S	*	.			trans	50.8	33.9	-176.1	-54.1	0	0	0	0	114.2	N161 F168	N161-S166 WeakPolarHBondContact O-CA 3.27Å; N161-S166 PolarHBondContact O-N 3.23Å; S166-F168 VanDerWaalsContact C-N 3.33Å; S166-F168 PolarHBondContact O-N 2.83Å
167	W	93.5	Very high	96.2	Very high	196 Å²	196	58.9 Å²	58.9	74%	0.742	30%	0.303	S	S	*	.	S	Bend	trans	-69.7	-30.8	-179.8	-64.7	-18	0	0	0	112.7	N161 L165	N161-W167 WeakPolarHBondContact OD1-CA 3.5Å; N161-W167 WeakPolarHBondContact OD1-CB 3.31Å; N161-W167 PolarHBondContact OD1-N 3.13Å; L165-W167 HydrophobicContact CB-CD2 3.93Å; L165-W167 HydrophobicContact CB-CG 3.96Å; L165-W167 HydrophobicContact CB-CZ2 4.44Å; L165-W167 HydrophobicContact CD1-CD2 4.04Å; L165-W167 HydrophobicContact CD1-CE3 3.99Å; L165-W167 HydrophobicContact CD1-CH2 3.78Å; L165-W167 HydrophobicContact CD1-CZ2 3.81Å; L165-W167 HydrophobicContact CD1-CZ3 3.86Å; L165-W167 HydrophobicContact CD2-CZ2 4.07Å; L165-W167 HydrophobicContact CG-CZ2 4.33Å; L165-W167 PolarHBondContact O-N 3.43Å; L165-W167 VanDerWaalsContact O-N 3.17Å
168	F	94.4	Very high	96.3	Very high	84 Å²	84	55.4 Å²	55.4	37%	0.368	28%	0.284	S	S	.	.	S	Bend	trans	-147.3	157.3	174.5	59	-94.1	0	0	0	111.6	N161 S166 I172	N161-F168 HydrophobicContact CB-CE1 3.97Å; N161-F168 HydrophobicContact CB-CZ 3.93Å; N161-F168 VanDerWaalsContact CG-CE1 3.43Å; N161-F168 WeakPolarHBondContact ND2-CD2 3.32Å; N161-F168 WeakPolarHBondContact ND2-CE2 3.16Å; N161-F168 WeakPolarHBondContact ND2-CZ 3.29Å; N161-F168 PolarHBondContact ND2-O 2.85Å; N161-F168 WeakPolarHBondContact OD1-CD1 3.22Å; N161-F168 PolarHBondContact OD1-N 3.02Å; N161-F168 VanDerWaalsContact OD1-N 3.14Å; S166-F168 VanDerWaalsContact C-N 3.33Å; S166-F168 PolarHBondContact O-N 2.83Å; F168-I172 HydrophobicContact CB-CD1 4.04Å; F168-I172 HydrophobicContact CD2-CB 4.49Å; F168-I172 HydrophobicContact CD2-CD1 4.5Å; F168-I172 HydrophobicContact CD2-CG2 3.79Å; F168-I172 HydrophobicContact CE2-CG2 4.2Å
169	S	96.6	Very high	96.4	Very high	50 Å²	50	54.8 Å²	54.8	35%	0.35	28%	0.283	S	S	.	.			trans	-63.2	134.5	179	-174.9	0	0	0	0	111.6	T171 I172	S169-T171 PolarHBondContact O-N 2.77Å; S169-T171 VanDerWaalsContact O-N 3.1Å; S169-T171 PolarHBondContact OG-N 3.09Å; S169-T171 PolarHBondContact OG-OG1 3.32Å; S169-I172 WeakPolarHBondContact O-CB 3.27Å; S169-I172 VanDerWaalsContact O-CG2 3.31Å; S169-I172 WeakPolarHBondContact O-CG2 3.2Å; S169-I172 PolarHBondContact O-N 3.42Å
170	P	96.8	Very high	96.5	Very high	38 Å²	38	51.1 Å²	51.1	25%	0.247	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.9	170.6	-25.2	35.8	0	0	0	114	W158 A162 I172 S254 A257	W158-P170 HydrophobicContact CH2-CB 4.29Å; W158-P170 HydrophobicContact CZ2-CB 3.8Å; A162-P170 HydrophobicContact CB-CB 4.41Å; A162-P170 HydrophobicContact CB-CG 3.87Å; P170-I172 VanDerWaalsContact C-N 3.35Å; P170-S254 WeakPolarHBondContact O-CA 3.38Å; P170-S254 WeakPolarHBondContact O-CB 3.5Å; P170-S254 PolarHBondContact O-OG 3.38Å; P170-A257 HydrophobicContact CB-CB 3.84Å
171	T	97.8	Very high	96.5	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.3	177.8	60.8	0	0	0	0	114.1	S169 I173 F174 D175 S254 A257 K258 E261	S169-T171 PolarHBondContact O-N 2.77Å; S169-T171 VanDerWaalsContact O-N 3.1Å; S169-T171 PolarHBondContact OG-N 3.09Å; S169-T171 PolarHBondContact OG-OG1 3.32Å; T171-I173 PolarHBondContact O-N 3.24Å; T171-F174 WeakPolarHBondContact O-CB 3.43Å; T171-F174 PolarHBondContact O-N 3.3Å; T171-D175 WeakPolarHBondContact CB-OD2 3.35Å; T171-D175 VanDerWaalsContact O-CG 3.32Å; T171-D175 PolarHBondContact O-N 2.93Å; T171-D175 PolarHBondContact OG1-OD2 2.95Å; T171-S254 VanDerWaalsContact C-OG 3.27Å; T171-S254 WeakPolarHBondContact CA-OG 3.3Å; T171-S254 PolarHBondContact O-OG 2.79Å; T171-A257 HydrophobicContact CG2-CB 4.07Å; T171-K258 HydrophobicContact CG2-CB 4.18Å; T171-K258 HydrophobicContact CG2-CD 3.99Å; T171-E261 HydrophobicContact CG2-CB 4.46Å
172	I	97.8	Very high	96.6	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-31.7	-166.4	-167.8	164.2	0	0	0	114.4	L99 F168 S169 P170 N176	L99-I172 HydrophobicContact CD1-CD1 3.74Å; L99-I172 HydrophobicContact CD1-CG1 3.72Å; L99-I172 HydrophobicContact CD2-CD1 3.63Å; L99-I172 HydrophobicContact CD2-CG1 4.41Å; L99-I172 HydrophobicContact CG-CD1 4.33Å; F168-I172 HydrophobicContact CB-CD1 4.04Å; F168-I172 HydrophobicContact CD2-CB 4.49Å; F168-I172 HydrophobicContact CD2-CD1 4.5Å; F168-I172 HydrophobicContact CD2-CG2 3.79Å; F168-I172 HydrophobicContact CE2-CG2 4.2Å; S169-I172 WeakPolarHBondContact O-CB 3.27Å; S169-I172 VanDerWaalsContact O-CG2 3.31Å; S169-I172 WeakPolarHBondContact O-CG2 3.2Å; S169-I172 PolarHBondContact O-N 3.42Å; P170-I172 VanDerWaalsContact C-N 3.35Å; I172-N176 PolarHBondContact O-N 2.82Å; I172-N176 PolarHBondContact O-ND2 3.22Å
173	I	98	Very high	96.9	Very high	32 Å²	32	51.9 Å²	51.9	16%	0.164	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-49.7	178.9	-59.1	173.9	0	0	0	109.5	T171 D175 N176 W177 L180 L250 I251 S254	T171-I173 PolarHBondContact O-N 3.24Å; I173-D175 VanDerWaalsContact C-N 3.33Å; I173-D175 PolarHBondContact O-N 2.85Å; I173-N176 CarbonylContact O-C 3.6Å; I173-N176 PolarHBondContact O-N 2.92Å; I173-W177 HydrophobicContact CG2-CE3 3.94Å; I173-W177 HydrophobicContact CG2-CZ3 4.04Å; I173-W177 WeakPolarHBondContact O-CA 3.24Å; I173-W177 PolarHBondContact O-N 2.82Å; I173-L180 HydrophobicContact CG2-CD1 4.17Å; I173-L250 HydrophobicContact CD1-CB 3.96Å; I173-I251 HydrophobicContact CG2-CG1 3.9Å; I173-S254 PolarHBondContact N-OG 3.35Å
174	F	98.1	Very high	97.1	Very high	25 Å²	25	45.5 Å²	45.5	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-46.6	174.7	-177.4	-83.6	0	0	0	111.3	T171 N176 W177 S254 F255 K258 L323 V326 Y327	T171-F174 WeakPolarHBondContact O-CB 3.43Å; T171-F174 PolarHBondContact O-N 3.3Å; F174-N176 PolarHBondContact O-N 3.26Å; F174-N176 VanDerWaalsContact O-N 3.1Å; F174-W177 VanDerWaalsContact O-CB 3.23Å; F174-W177 WeakPolarHBondContact O-CB 3.47Å; F174-W177 PolarHBondContact O-N 3.47Å; F174-W177 VanDerWaalsContact O-N 3.1Å; F174-S254 PolarHBondContact N-OG 3.47Å; F174-S254 VanDerWaalsContact N-OG 3.11Å; F174-F255 HydrophobicContact CB-CD1 4.01Å; F174-F255 HydrophobicContact CB-CE1 4.2Å; F174-F255 AromaticContact CD2-CD1 3.58Å; F174-F255 HydrophobicContact CD2-CD1 3.58Å; F174-F255 AromaticContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CG-CD1 4.28Å; F174-F255 HydrophobicContact CG-CE1 4.43Å; F174-K258 HydrophobicContact CB-CB 4.14Å; F174-K258 HydrophobicContact CB-CG 4.32Å; F174-K258 HydrophobicContact CD1-CB 4.13Å; F174-K258 HydrophobicContact CD1-CD 3.46Å; F174-K258 VanDerWaalsContact CD1-CD 3.46Å; F174-K258 HydrophobicContact CD1-CG 3.39Å; F174-K258 HydrophobicContact CD2-CB 4.25Å; F174-K258 HydrophobicContact CD2-CG 4.11Å; F174-K258 HydrophobicContact CE1-CD 3.86Å; F174-K258 HydrophobicContact CE1-CG 3.6Å; F174-K258 HydrophobicContact CE2-CG 4.28Å; F174-K258 HydrophobicContact CG-CB 3.9Å; F174-K258 HydrophobicContact CG-CD 4.09Å; F174-K258 HydrophobicContact CG-CG 3.66Å; F174-K258 HydrophobicContact CZ-CG 4.03Å; F174-L323 HydrophobicContact CD2-CD1 4.25Å; F174-L323 HydrophobicContact CE2-CD1 3.75Å; F174-V326 HydrophobicContact CD2-CG1 4.31Å; F174-V326 HydrophobicContact CD2-CG2 4.22Å; F174-V326 HydrophobicContact CE2-CB 3.95Å; F174-V326 HydrophobicContact CE2-CG1 3.59Å; F174-V326 HydrophobicContact CE2-CG2 3.99Å; F174-V326 HydrophobicContact CZ-CG1 3.76Å; F174-Y327 HydrophobicContact CE2-CE2 4.37Å; F174-Y327 HydrophobicContact CZ-CE1 4.36Å; F174-Y327 HydrophobicContact CZ-CE2 4.34Å; F174-Y327 AromaticContact CZ-CZ 3.83Å; F174-Y327 WeakPolarHBondContact CZ-OH 3.47Å
175	D	97.8	Very high	97.2	Very high	71 Å²	71	39.6 Å²	39.6	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-17.7	-176.6	-61.3	-29.9	0	0	0	113.2	T171 I173 K258	T171-D175 WeakPolarHBondContact CB-OD2 3.35Å; T171-D175 VanDerWaalsContact O-CG 3.32Å; T171-D175 PolarHBondContact O-N 2.93Å; T171-D175 PolarHBondContact OG1-OD2 2.95Å; I173-D175 VanDerWaalsContact C-N 3.33Å; I173-D175 PolarHBondContact O-N 2.85Å; D175-K258 IonicContact OD1-NZ 3.49Å; D175-K258 PolarHBondContact OD1-NZ 3.48Å
176	N	98.1	Very high	97.3	Very high	14 Å²	14	41.3 Å²	41.3	8%	0.075	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	20.8	177.6	-64.3	-94.2	0	0	0	111.8	A96 I172 I173 F174 I178 P179 L180	A96-N176 HydrophobicContact CB-CB 4.36Å; I172-N176 PolarHBondContact O-N 2.82Å; I172-N176 PolarHBondContact O-ND2 3.22Å; I173-N176 CarbonylContact O-C 3.6Å; I173-N176 PolarHBondContact O-N 2.92Å; F174-N176 PolarHBondContact O-N 3.26Å; F174-N176 VanDerWaalsContact O-N 3.1Å; N176-I178 PolarHBondContact O-N 3.47Å; N176-P179 VanDerWaalsContact O-CD 3.31Å; N176-P179 WeakPolarHBondContact O-CD 3.2Å; N176-L180 HydrophobicContact CB-CD1 4.05Å; N176-L180 HydrophobicContact CB-CG 4.11Å; N176-L180 WeakPolarHBondContact O-CB 3.3Å; N176-L180 WeakPolarHBondContact O-CG 3.42Å; N176-L180 PolarHBondContact O-N 2.88Å
177	W	97.7	Very high	97.5	Very high	15 Å²	15	38.5 Å²	38.5	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-49.3	-167.4	-173.1	-126.1	0	0	0	113.9	I58 I173 F174 L180 L181 I251 F255 Y316	I58-W177 HydrophobicContact CD1-CZ2 4.43Å; I173-W177 HydrophobicContact CG2-CE3 3.94Å; I173-W177 HydrophobicContact CG2-CZ3 4.04Å; I173-W177 WeakPolarHBondContact O-CA 3.24Å; I173-W177 PolarHBondContact O-N 2.82Å; F174-W177 VanDerWaalsContact O-CB 3.23Å; F174-W177 WeakPolarHBondContact O-CB 3.47Å; F174-W177 PolarHBondContact O-N 3.47Å; F174-W177 VanDerWaalsContact O-N 3.1Å; W177-L180 PolarHBondContact O-N 3.03Å; W177-L181 PolarHBondContact O-N 2.95Å; W177-I251 HydrophobicContact CH2-CD1 3.91Å; W177-I251 HydrophobicContact CH2-CG1 4.22Å; W177-I251 HydrophobicContact CH2-CG2 3.64Å; W177-I251 HydrophobicContact CZ2-CG2 4.43Å; W177-I251 HydrophobicContact CZ3-CB 4.45Å; W177-I251 HydrophobicContact CZ3-CD1 3.89Å; W177-I251 HydrophobicContact CZ3-CG1 3.84Å; W177-I251 HydrophobicContact CZ3-CG2 3.7Å; W177-F255 HydrophobicContact CD2-CE1 4.32Å; W177-F255 HydrophobicContact CD2-CZ 4.11Å; W177-F255 AromaticContact CE2-CZ 3.85Å; W177-F255 HydrophobicContact CE3-CE1 4.42Å; W177-F255 HydrophobicContact CE3-CZ 4.34Å; W177-F255 HydrophobicContact CH2-CZ 4.15Å; W177-F255 AromaticContact CZ2-CZ 3.85Å; W177-F255 HydrophobicContact CZ2-CZ 3.85Å; W177-F255 HydrophobicContact CZ3-CZ 4.38Å; W177-Y316 HydrophobicContact CD2-CD1 4.27Å; W177-Y316 AromaticContact CD2-CE1 3.78Å; W177-Y316 HydrophobicContact CD2-CE1 3.78Å; W177-Y316 AromaticContact CE2-CD1 3.52Å; W177-Y316 AromaticContact CE2-CE1 3.52Å; W177-Y316 AromaticContact CE3-CE1 3.92Å; W177-Y316 HydrophobicContact CE3-CE1 3.92Å; W177-Y316 AromaticContact CH2-CD1 3.6Å; W177-Y316 HydrophobicContact CH2-CD1 3.6Å; W177-Y316 AromaticContact CH2-CE1 3.57Å; W177-Y316 HydrophobicContact CH2-CE1 3.57Å; W177-Y316 HydrophobicContact CH2-CG 4.08Å; W177-Y316 AromaticContact CZ2-CD1 3.17Å; W177-Y316 HydrophobicContact CZ2-CD1 3.17Å; W177-Y316 AromaticContact CZ2-CE1 3.45Å; W177-Y316 HydrophobicContact CZ2-CE1 3.45Å; W177-Y316 VanDerWaalsContact CZ2-CE1 3.45Å; W177-Y316 AromaticContact CZ2-CG 3.9Å; W177-Y316 HydrophobicContact CZ2-CG 3.9Å; W177-Y316 HydrophobicContact CZ3-CD1 4.3Å; W177-Y316 AromaticContact CZ3-CE1 3.8Å; W177-Y316 HydrophobicContact CZ3-CE1 3.8Å
178	I	97.8	Very high	97.7	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-71.5	-44.9	179.3	-61.2	166.4	0	0	0	112.1	I58 M59 D62 T89 P90 N176 L180 L181 W182	I58-I178 HydrophobicContact CG2-CD1 4.46Å; I58-I178 HydrophobicContact CG2-CG1 3.79Å; M59-I178 HydrophobicContact CE-CD1 4.18Å; M59-I178 HydrophobicContact SD-CD1 3.88Å; M59-I178 HydrophobicContact SD-CG1 4.46Å; D62-I178 HydrophobicContact CB-CD1 3.83Å; D62-I178 VanDerWaalsContact CG-CD1 3.48Å; T89-I178 HydrophobicContact CG2-CG2 3.96Å; P90-I178 HydrophobicContact CB-CB 4.23Å; P90-I178 HydrophobicContact CB-CG2 4.21Å; P90-I178 HydrophobicContact CG-CB 4.2Å; P90-I178 HydrophobicContact CG-CD1 3.91Å; P90-I178 HydrophobicContact CG-CG2 4.35Å; N176-I178 PolarHBondContact O-N 3.47Å; I178-L180 PolarHBondContact O-N 3.29Å; I178-L181 VanDerWaalsContact O-CB 3.27Å; I178-L181 WeakPolarHBondContact O-CB 3.34Å; I178-L181 PolarHBondContact O-N 2.87Å; I178-W182 PolarHBondContact O-N 3.47Å
179	P	98.3	Very high	97.9	Very high	9 Å²	9	29 Å²	29	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-56.2	-35.3	171.1	-30.8	38.2	0	0	0	114.4	P90 T93 A96 N176 W182 C183	P90-P179 HydrophobicContact CB-CG 4.16Å; T93-P179 HydrophobicContact CG2-CB 4.26Å; T93-P179 HydrophobicContact CG2-CG 4.01Å; A96-P179 HydrophobicContact CB-CB 3.34Å; N176-P179 VanDerWaalsContact O-CD 3.31Å; N176-P179 WeakPolarHBondContact O-CD 3.2Å; P179-W182 PolarHBondContact O-N 3.26Å; P179-C183 PolarHBondContact O-N 3.32Å; P179-C183 PolarHBondContact O-SG 3.1Å
180	L	98.4	Very high	98	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-70.2	-31.7	174.4	-69.7	169.9	0	0	0	112	A96 L99 Y100 I173 N176 W177 I178 W182 C183 A184 Y316	A96-L180 HydrophobicContact CB-CD2 4.16Å; A96-L180 HydrophobicContact CB-CG 4.32Å; L99-L180 HydrophobicContact CB-CD2 4.41Å; Y100-L180 HydrophobicContact CD2-CD2 4.01Å; Y100-L180 HydrophobicContact CG-CD2 4.4Å; I173-L180 HydrophobicContact CG2-CD1 4.17Å; N176-L180 HydrophobicContact CB-CD1 4.05Å; N176-L180 HydrophobicContact CB-CG 4.11Å; N176-L180 WeakPolarHBondContact O-CB 3.3Å; N176-L180 WeakPolarHBondContact O-CG 3.42Å; N176-L180 PolarHBondContact O-N 2.88Å; W177-L180 PolarHBondContact O-N 3.03Å; I178-L180 PolarHBondContact O-N 3.29Å; L180-W182 VanDerWaalsContact C-N 3.28Å; L180-W182 PolarHBondContact O-N 2.61Å; L180-C183 WeakPolarHBondContact O-CB 3.41Å; L180-C183 PolarHBondContact O-N 3.44Å; L180-C183 VanDerWaalsContact O-N 3.15Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.43Å; L180-Y316 PolarHBondContact O-OH 3.19Å
181	L	98.2	Very high	98	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-41.2	175	175.9	63.3	0	0	0	110.9	V54 I58 W177 I178 A184 N185 V312 Y316	V54-L181 HydrophobicContact CG1-CD1 3.86Å; I58-L181 HydrophobicContact CB-CD2 4.35Å; I58-L181 HydrophobicContact CG1-CD2 4.25Å; I58-L181 HydrophobicContact CG2-CD2 4.4Å; W177-L181 PolarHBondContact O-N 2.95Å; I178-L181 VanDerWaalsContact O-CB 3.27Å; I178-L181 WeakPolarHBondContact O-CB 3.34Å; I178-L181 PolarHBondContact O-N 2.87Å; L181-A184 PolarHBondContact O-N 3.48Å; L181-N185 WeakPolarHBondContact CD1-ND2 3.49Å; L181-N185 PolarHBondContact O-N 2.96Å; L181-N185 PolarHBondContact O-ND2 3.08Å; L181-V312 HydrophobicContact CD1-CG1 3.84Å; L181-Y316 VanDerWaalsContact CA-CZ 3.45Å; L181-Y316 WeakPolarHBondContact CA-OH 3.49Å; L181-Y316 HydrophobicContact CB-CD1 4.32Å; L181-Y316 HydrophobicContact CB-CE1 3.58Å; L181-Y316 HydrophobicContact CD1-CD1 3.74Å; L181-Y316 HydrophobicContact CD1-CD2 3.91Å; L181-Y316 HydrophobicContact CD1-CE1 3.76Å; L181-Y316 HydrophobicContact CD1-CE2 3.93Å; L181-Y316 HydrophobicContact CD1-CG 3.84Å; L181-Y316 HydrophobicContact CG-CD1 4.47Å; L181-Y316 HydrophobicContact CG-CE1 4.19Å; L181-Y316 PolarHBondContact N-OH 3.13Å
182	W	98.1	Very high	98	Very high	60 Å²	60	27.6 Å²	27.6	23%	0.227	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-42.7	174.9	-61.2	125.9	0	0	0	112.2	Y55 W86 T89 P90 I92 I178 P179 L180 A184 N185 I186	Y55-W182 AromaticContact CD2-CH2 3.87Å; Y55-W182 HydrophobicContact CD2-CH2 3.87Å; Y55-W182 HydrophobicContact CD2-CZ2 4.23Å; Y55-W182 AromaticContact CE2-CH2 3.87Å; Y55-W182 HydrophobicContact CE2-CH2 3.87Å; Y55-W182 AromaticContact CE2-CZ2 3.92Å; Y55-W182 HydrophobicContact CE2-CZ2 3.92Å; W86-W182 AromaticContact CH2-CH2 3.67Å; W86-W182 HydrophobicContact CH2-CH2 3.67Å; W86-W182 HydrophobicContact CH2-CZ2 4.03Å; W86-W182 AromaticContact CZ3-CH2 3.8Å; W86-W182 HydrophobicContact CZ3-CH2 3.8Å; W86-W182 HydrophobicContact CZ3-CZ2 4.2Å; T89-W182 HydrophobicContact CG2-CZ2 3.8Å; P90-W182 PolarHBondContact O-NE1 3.44Å; P90-W182 VanDerWaalsContact O-NE1 3.08Å; I92-W182 HydrophobicContact CB-CB 4.32Å; I178-W182 PolarHBondContact O-N 3.47Å; P179-W182 PolarHBondContact O-N 3.26Å; L180-W182 VanDerWaalsContact C-N 3.28Å; L180-W182 PolarHBondContact O-N 2.61Å; W182-A184 VanDerWaalsContact C-N 3.34Å; W182-A184 PolarHBondContact O-N 3.35Å; W182-N185 PolarHBondContact O-N 3.01Å; W182-I186 VanDerWaalsContact O-CG1 3.28Å; W182-I186 WeakPolarHBondContact O-CG1 3.41Å; W182-I186 PolarHBondContact O-N 3.17Å
183	C	98.4	Very high	98	Very high	11 Å²	11	29.6 Å²	29.6	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-42.5	176.9	-60	0	0	0	0	111.7	Y100 P179 L180 I186 L187	Y100-C183 HydrophobicContact CD1-CB 3.58Å; Y100-C183 HydrophobicContact CD2-CB 4.27Å; Y100-C183 HydrophobicContact CE1-CB 4.21Å; Y100-C183 HydrophobicContact CG-CB 3.6Å; P179-C183 PolarHBondContact O-N 3.32Å; P179-C183 PolarHBondContact O-SG 3.1Å; L180-C183 WeakPolarHBondContact O-CB 3.41Å; L180-C183 PolarHBondContact O-N 3.44Å; L180-C183 VanDerWaalsContact O-N 3.15Å; C183-I186 PolarHBondContact O-N 3.31Å; C183-L187 PolarHBondContact O-N 3.46Å
184	A	98.1	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-41.3	177.1	0	0	0	0	0	112.4	Y100 L180 L181 W182 L187 G188 V312 Y316	Y100-A184 HydrophobicContact CE2-CB 4.14Å; Y100-A184 WeakPolarHBondContact OH-CA 3.41Å; Y100-A184 WeakPolarHBondContact OH-CB 3.42Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.43Å; L181-A184 PolarHBondContact O-N 3.48Å; W182-A184 VanDerWaalsContact C-N 3.34Å; W182-A184 PolarHBondContact O-N 3.35Å; A184-L187 PolarHBondContact O-N 3.38Å; A184-G188 PolarHBondContact O-N 2.68Å; A184-V312 VanDerWaalsContact C-CG2 3.49Å; A184-V312 HydrophobicContact CB-CG2 3.93Å; A184-V312 WeakPolarHBondContact O-CG2 3.4Å; A184-Y316 HydrophobicContact CB-CE2 3.93Å
185	N	98.1	Very high	97.9	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-50	172.8	-86.9	-81.9	0	0	0	111.2	L181 W182 L187 G188 Y189 W308	L181-N185 WeakPolarHBondContact CD1-ND2 3.49Å; L181-N185 PolarHBondContact O-N 2.96Å; L181-N185 PolarHBondContact O-ND2 3.08Å; W182-N185 PolarHBondContact O-N 3.01Å; N185-L187 VanDerWaalsContact C-N 3.28Å; N185-L187 PolarHBondContact O-N 3.26Å; N185-G188 PolarHBondContact O-N 3.45Å; N185-Y189 WeakPolarHBondContact O-CD2 3.22Å; N185-Y189 PolarHBondContact O-N 3.28Å; N185-W308 PolarHBondContact OD1-NE1 3.46Å
186	I	98.2	Very high	97.8	Very high	105 Å²	105	28 Å²	28	54%	0.538	15%	0.145	S	C	.	.	H	α-helix	trans	-55.8	-45.9	178.4	-69.5	164.5	0	0	0	110.4	I92 W182 C183 A190	I92-I186 HydrophobicContact CD1-CD1 3.91Å; W182-I186 VanDerWaalsContact O-CG1 3.28Å; W182-I186 WeakPolarHBondContact O-CG1 3.41Å; W182-I186 PolarHBondContact O-N 3.17Å; C183-I186 PolarHBondContact O-N 3.31Å; I186-A190 WeakPolarHBondContact O-CB 3.5Å; I186-A190 PolarHBondContact O-N 3.38Å
187	L	98.1	Very high	97.8	Very high	37 Å²	37	30 Å²	30	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-45.7	177.6	-179.5	61.6	0	0	0	112.3	Y100 V104 C183 A184 N185 Y189 A190 V191 F239	Y100-L187 HydrophobicContact CE1-CB 3.94Å; Y100-L187 HydrophobicContact CE1-CD2 3.63Å; Y100-L187 HydrophobicContact CE1-CG 4.45Å; V104-L187 HydrophobicContact CG1-CD2 4.29Å; V104-L187 HydrophobicContact CG2-CD2 3.76Å; C183-L187 PolarHBondContact O-N 3.46Å; A184-L187 PolarHBondContact O-N 3.38Å; N185-L187 VanDerWaalsContact C-N 3.28Å; N185-L187 PolarHBondContact O-N 3.26Å; L187-Y189 PolarHBondContact O-N 3.39Å; L187-A190 PolarHBondContact O-N 3.17Å; L187-V191 WeakPolarHBondContact O-CB 3.25Å; L187-V191 WeakPolarHBondContact O-CG1 3.11Å; L187-V191 PolarHBondContact O-N 3.26Å; L187-F239 HydrophobicContact CD1-CE1 4.37Å; L187-F239 HydrophobicContact CD1-CZ 4.33Å; L187-F239 HydrophobicContact CD2-CE1 3.94Å; L187-F239 HydrophobicContact CG-CE1 4.03Å; L187-F239 HydrophobicContact CG-CZ 4.48Å
188	G	97.7	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-46.9	177.6	0	0	0	0	0	112.3	A184 N185 V191 S192	A184-G188 PolarHBondContact O-N 2.68Å; N185-G188 PolarHBondContact O-N 3.45Å; G188-V191 WeakPolarHBondContact O-CG1 3.12Å; G188-S192 WeakPolarHBondContact O-CB 3.41Å; G188-S192 PolarHBondContact O-N 2.78Å; G188-S192 PolarHBondContact O-OG 3.35Å
189	Y	98.1	Very high	97.5	Very high	81 Å²	81	29.3 Å²	29.3	32%	0.318	16%	0.155	S	C	.	.	H	α-helix	trans	-67.1	-40	174.8	-77.5	-75.8	0	0	0	112.5	P51 N185 L187 T193 Y219 W304 W308	P51-Y189 VanDerWaalsContact CG-OH 3.27Å; P51-Y189 WeakPolarHBondContact CG-OH 3.46Å; N185-Y189 WeakPolarHBondContact O-CD2 3.22Å; N185-Y189 PolarHBondContact O-N 3.28Å; L187-Y189 PolarHBondContact O-N 3.39Å; Y189-T193 VanDerWaalsContact O-CB 3.29Å; Y189-T193 WeakPolarHBondContact O-CB 3.25Å; Y189-T193 PolarHBondContact O-N 2.86Å; Y189-T193 PolarHBondContact O-OG1 3.39Å; Y189-Y219 WeakPolarHBondContact CD1-OH 3.5Å; Y189-W304 AromaticContact CD1-CD1 3.89Å; Y189-W304 AromaticContact CD1-NE1 3.71Å; Y189-W304 AromaticContact CE1-CD1 3.79Å; Y189-W304 AromaticContact CE1-NE1 3.22Å; Y189-W304 AromaticContact CZ-NE1 3.52Å; Y189-W308 AromaticContact CE2-CD1 3.97Å
190	A	98.1	Very high	97.3	Very high	53 Å²	53	33.9 Å²	33.9	44%	0.438	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-45.3	-180	0	0	0	0	0	112	I186 L187 T193 F194	I186-A190 WeakPolarHBondContact O-CB 3.5Å; I186-A190 PolarHBondContact O-N 3.38Å; L187-A190 PolarHBondContact O-N 3.17Å; A190-T193 PolarHBondContact O-N 3.43Å; A190-F194 VanDerWaalsContact O-CB 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.27Å; A190-F194 PolarHBondContact O-N 2.97Å
191	V	97.4	Very high	97.1	Very high	8 Å²	8	41 Å²	41	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-39.1	-179.6	73.2	0	0	0	0	111.6	L187 G188 F194 A195 F235 F239 F302	L187-V191 WeakPolarHBondContact O-CB 3.25Å; L187-V191 WeakPolarHBondContact O-CG1 3.11Å; L187-V191 PolarHBondContact O-N 3.26Å; G188-V191 WeakPolarHBondContact O-CG1 3.12Å; V191-F194 WeakPolarHBondContact O-CB 3.08Å; V191-F194 PolarHBondContact O-N 2.71Å; V191-A195 WeakPolarHBondContact O-CB 3.45Å; V191-A195 PolarHBondContact O-N 2.97Å; V191-F235 HydrophobicContact CG2-CD1 3.5Å; V191-F235 HydrophobicContact CG2-CE1 3.67Å; V191-F239 HydrophobicContact CB-CE1 4.36Å; V191-F239 HydrophobicContact CB-CE2 4.13Å; V191-F239 HydrophobicContact CB-CZ 3.82Å; V191-F239 HydrophobicContact CG1-CE1 4.23Å; V191-F239 HydrophobicContact CG1-CE2 4.5Å; V191-F239 HydrophobicContact CG1-CZ 4.16Å; V191-F239 HydrophobicContact CG2-CD2 3.92Å; V191-F239 HydrophobicContact CG2-CE1 4.3Å; V191-F239 HydrophobicContact CG2-CE2 3.24Å; V191-F239 HydrophobicContact CG2-CZ 3.45Å; V191-F239 VanDerWaalsContact CG2-CZ 3.45Å; V191-F302 HydrophobicContact CG1-CZ 4.47Å; V191-F302 HydrophobicContact CG2-CE1 3.86Å; V191-F302 HydrophobicContact CG2-CZ 4.17Å
192	S	97.5	Very high	96.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-71.7	-38.1	179	-56.6	0	0	0	0	112.1	G188 A195 M196 G303 W304	G188-S192 WeakPolarHBondContact O-CB 3.41Å; G188-S192 PolarHBondContact O-N 2.78Å; G188-S192 PolarHBondContact O-OG 3.35Å; S192-A195 PolarHBondContact O-N 2.87Å; S192-M196 PolarHBondContact O-N 3.02Å; S192-G303 PolarHBondContact OG-O 3.44Å; S192-W304 WeakPolarHBondContact OG-CA 3.44Å
193	T	97.8	Very high	96.7	Very high	60 Å²	60	45.1 Å²	45.1	37%	0.368	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-45.3	170.6	-57.7	0	0	0	0	110.7	Y189 A190 A195 M196 V197	Y189-T193 VanDerWaalsContact O-CB 3.29Å; Y189-T193 WeakPolarHBondContact O-CB 3.25Å; Y189-T193 PolarHBondContact O-N 2.86Å; Y189-T193 PolarHBondContact O-OG1 3.39Å; A190-T193 PolarHBondContact O-N 3.43Å; T193-A195 PolarHBondContact O-N 3.46Å; T193-M196 PolarHBondContact O-N 3.38Å; T193-V197 HydrophobicContact CG2-CG2 4.41Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.24Å; T193-V197 PolarHBondContact O-N 3.06Å
194	F	97.5	Very high	96.2	Very high	71 Å²	71	48.1 Å²	48.1	31%	0.311	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-46.3	175.3	172.2	-95.3	0	0	0	111.8	A190 V191 M196 V197 K198 F202 I229 F235	A190-F194 VanDerWaalsContact O-CB 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.27Å; A190-F194 PolarHBondContact O-N 2.97Å; V191-F194 WeakPolarHBondContact O-CB 3.08Å; V191-F194 PolarHBondContact O-N 2.71Å; F194-M196 VanDerWaalsContact C-N 3.33Å; F194-M196 PolarHBondContact O-N 3.04Å; F194-V197 PolarHBondContact O-N 3.32Å; F194-K198 HydrophobicContact CE1-CB 4.42Å; F194-K198 HydrophobicContact CE1-CD 3.99Å; F194-K198 HydrophobicContact CZ-CD 4.22Å; F194-K198 WeakPolarHBondContact O-CB 3.44Å; F194-K198 PolarHBondContact O-N 3.47Å; F194-F202 HydrophobicContact CE2-CE2 4.15Å; F194-F202 HydrophobicContact CE2-CZ 4.27Å; F194-F202 HydrophobicContact CZ-CE2 4.17Å; F194-I229 HydrophobicContact CZ-CD1 4.38Å; F194-F235 AromaticContact CD1-CE1 3.73Å; F194-F235 HydrophobicContact CD1-CE1 3.73Å; F194-F235 AromaticContact CD1-CZ 3.72Å; F194-F235 HydrophobicContact CD1-CZ 3.72Å; F194-F235 AromaticContact CE1-CE1 3.78Å; F194-F235 HydrophobicContact CE1-CE1 3.78Å; F194-F235 AromaticContact CE1-CE2 3.88Å; F194-F235 HydrophobicContact CE1-CE2 3.88Å; F194-F235 AromaticContact CE1-CZ 3.24Å; F194-F235 HydrophobicContact CE1-CZ 3.24Å; F194-F235 HydrophobicContact CZ-CZ 4.17Å
195	A	96.9	Very high	95.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-40	178.8	0	0	0	0	0	112.1	V191 S192 T193 G199 P227 F302	V191-A195 WeakPolarHBondContact O-CB 3.45Å; V191-A195 PolarHBondContact O-N 2.97Å; S192-A195 PolarHBondContact O-N 2.87Å; T193-A195 PolarHBondContact O-N 3.46Å; A195-G199 PolarHBondContact O-N 3.33Å; A195-P227 HydrophobicContact CB-CG 4.4Å; A195-F302 HydrophobicContact CB-CD1 3.73Å; A195-F302 HydrophobicContact CB-CE1 4.2Å
196	M	96.3	Very high	95.2	Very high	23 Å²	23	52 Å²	52	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-50.2	174.8	-174.2	179.6	65.8	0	0	111.7	S192 T193 F194 K198 G199 Y200 F215 Y219 I223	S192-M196 PolarHBondContact O-N 3.02Å; T193-M196 PolarHBondContact O-N 3.38Å; F194-M196 VanDerWaalsContact C-N 3.33Å; F194-M196 PolarHBondContact O-N 3.04Å; M196-K198 VanDerWaalsContact C-N 3.32Å; M196-K198 PolarHBondContact O-N 3.45Å; M196-G199 PolarHBondContact O-N 2.91Å; M196-Y200 HydrophobicContact CG-CD2 4.07Å; M196-Y200 HydrophobicContact CG-CE2 3.8Å; M196-Y200 VanDerWaalsContact O-CD2 3.24Å; M196-Y200 WeakPolarHBondContact O-CD2 3.28Å; M196-Y200 PolarHBondContact O-N 2.92Å; M196-Y200 HydrophobicContact SD-CE2 4.4Å; M196-F215 HydrophobicContact CE-CE2 3.52Å; M196-F215 HydrophobicContact CE-CZ 3.72Å; M196-F215 HydrophobicContact SD-CD2 4.29Å; M196-F215 HydrophobicContact SD-CE2 3.73Å; M196-F215 HydrophobicContact SD-CZ 4.15Å; M196-Y219 HydrophobicContact CB-CD2 4.48Å; M196-Y219 HydrophobicContact CE-CD2 3.92Å; M196-Y219 HydrophobicContact SD-CD2 3.75Å; M196-Y219 HydrophobicContact SD-CG 4.39Å; M196-I223 HydrophobicContact CG-CD1 3.79Å
197	V	96.7	Very high	94.7	Very high	55 Å²	55	55 Å²	55	33%	0.333	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-46.9	177.3	170	0	0	0	0	110.2	T193 F194 G199 Y200 F201 F202	T193-V197 HydrophobicContact CG2-CG2 4.41Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.24Å; T193-V197 PolarHBondContact O-N 3.06Å; F194-V197 PolarHBondContact O-N 3.32Å; V197-G199 VanDerWaalsContact C-N 3.34Å; V197-G199 PolarHBondContact O-N 3.17Å; V197-Y200 PolarHBondContact O-N 2.86Å; V197-Y200 VanDerWaalsContact O-N 3.15Å; V197-F201 HydrophobicContact CG1-CD2 3.74Å; V197-F201 HydrophobicContact CG1-CE2 4.17Å; V197-F201 VanDerWaalsContact O-CD2 3.22Å; V197-F201 WeakPolarHBondContact O-CD2 3.46Å; V197-F201 PolarHBondContact O-N 2.72Å; V197-F202 HydrophobicContact CG1-CE1 4.18Å; V197-F202 HydrophobicContact CG1-CZ 4.32Å
198	K	95.7	Very high	94.3	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.022	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-46.9	175.7	176.9	176.4	-171.7	-41	0	111.9	F194 M196 Y200 F201 F202 P203 T204 E224 P227 R228	F194-K198 HydrophobicContact CE1-CB 4.42Å; F194-K198 HydrophobicContact CE1-CD 3.99Å; F194-K198 HydrophobicContact CZ-CD 4.22Å; F194-K198 WeakPolarHBondContact O-CB 3.44Å; F194-K198 PolarHBondContact O-N 3.47Å; M196-K198 VanDerWaalsContact C-N 3.32Å; M196-K198 PolarHBondContact O-N 3.45Å; K198-Y200 PolarHBondContact O-N 3.43Å; K198-F201 PolarHBondContact O-N 3.36Å; K198-F202 HydrophobicContact CB-CD2 3.93Å; K198-F202 HydrophobicContact CB-CE2 3.42Å; K198-F202 VanDerWaalsContact CB-CE2 3.42Å; K198-F202 HydrophobicContact CB-CZ 3.88Å; K198-F202 HydrophobicContact CD-CD2 4.26Å; K198-F202 HydrophobicContact CD-CE2 4.12Å; K198-F202 HydrophobicContact CG-CD2 3.49Å; K198-F202 VanDerWaalsContact CG-CD2 3.49Å; K198-F202 HydrophobicContact CG-CE2 3.44Å; K198-F202 VanDerWaalsContact CG-CE2 3.44Å; K198-F202 HydrophobicContact CG-CG 4.41Å; K198-F202 HydrophobicContact CG-CZ 4.36Å; K198-F202 WeakPolarHBondContact CG-O 3.4Å; K198-F202 PolarHBondContact NZ-O 3.42Å; K198-F202 CarbonylContact O-C 3.41Å; K198-F202 WeakPolarHBondContact O-CA 3.26Å; K198-F202 PolarHBondContact O-N 2.91Å; K198-P203 VanDerWaalsContact O-N 3.12Å; K198-T204 PolarHBondContact NZ-OG1 3.5Å; K198-E224 WeakPolarHBondContact CD-OE2 3.45Å; K198-E224 WeakPolarHBondContact CE-OE2 3.39Å; K198-E224 WeakPolarHBondContact CG-OE2 3.27Å; K198-E224 VanDerWaalsContact NZ-CD 3.25Å; K198-E224 IonicContact NZ-OE1 2.76Å; K198-E224 PolarHBondContact NZ-OE1 3.39Å; K198-E224 IonicContact NZ-OE2 2.69Å; K198-E224 PolarHBondContact NZ-OE2 3.07Å; K198-P227 HydrophobicContact CD-CB 3.94Å; K198-R228 WeakPolarHBondContact CE-O 3.23Å
199	G	94.3	Very high	94	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-32.9	178.4	0	0	0	0	0	113.6	A195 M196 V197	A195-G199 PolarHBondContact O-N 3.33Å; M196-G199 PolarHBondContact O-N 2.91Å; V197-G199 VanDerWaalsContact C-N 3.34Å; V197-G199 PolarHBondContact O-N 3.17Å
200	Y	93.4	Very high	93.6	Very high	106 Å²	106	51.9 Å²	51.9	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-79.9	-41.1	176.7	-79.7	-71.3	0	0	0	114	M196 V197 K198 F211 I223	M196-Y200 HydrophobicContact CG-CD2 4.07Å; M196-Y200 HydrophobicContact CG-CE2 3.8Å; M196-Y200 VanDerWaalsContact O-CD2 3.24Å; M196-Y200 WeakPolarHBondContact O-CD2 3.28Å; M196-Y200 PolarHBondContact O-N 2.92Å; M196-Y200 HydrophobicContact SD-CE2 4.4Å; V197-Y200 PolarHBondContact O-N 2.86Å; V197-Y200 VanDerWaalsContact O-N 3.15Å; K198-Y200 PolarHBondContact O-N 3.43Å; Y200-F211 HydrophobicContact CD1-CD1 4.19Å; Y200-F211 AromaticContact CD1-CE1 3.49Å; Y200-F211 HydrophobicContact CD1-CE1 3.49Å; Y200-F211 VanDerWaalsContact CD1-CE1 3.49Å; Y200-F211 HydrophobicContact CD1-CZ 4.36Å; Y200-F211 AromaticContact CE1-CD1 3.56Å; Y200-F211 HydrophobicContact CE1-CD1 3.56Å; Y200-F211 AromaticContact CE1-CE1 3.34Å; Y200-F211 HydrophobicContact CE1-CE1 3.34Å; Y200-F211 HydrophobicContact CG-CE1 4.2Å; Y200-F211 AromaticContact CZ-CD1 4Å; Y200-F211 AromaticContact CZ-CE1 3.96Å; Y200-I223 HydrophobicContact CD2-CD1 3.6Å; Y200-I223 HydrophobicContact CE1-CD1 4.19Å; Y200-I223 HydrophobicContact CE2-CD1 3.07Å; Y200-I223 HydrophobicContact CG-CD1 4.34Å
201	F	94.6	Very high	93.3	Very high	163 Å²	163	54.5 Å²	54.5	72%	0.715	27%	0.273	S	S	*	.	H	α-helix	trans	-107.7	-32.2	-166.4	-64.9	-71.6	0	0	0	114.6	V197 K198	V197-F201 HydrophobicContact CG1-CD2 3.74Å; V197-F201 HydrophobicContact CG1-CE2 4.17Å; V197-F201 VanDerWaalsContact O-CD2 3.22Å; V197-F201 WeakPolarHBondContact O-CD2 3.46Å; V197-F201 PolarHBondContact O-N 2.72Å; K198-F201 PolarHBondContact O-N 3.36Å
202	F	94.8	Very high	92.9	Very high	104 Å²	104	55.4 Å²	55.4	46%	0.456	28%	0.279	S	S	.	.	S	Bend	trans	-147.3	58.7	-174.8	45.2	-85.8	0	0	0	111.4	F194 V197 K198	F194-F202 HydrophobicContact CE2-CE2 4.15Å; F194-F202 HydrophobicContact CE2-CZ 4.27Å; F194-F202 HydrophobicContact CZ-CE2 4.17Å; V197-F202 HydrophobicContact CG1-CE1 4.18Å; V197-F202 HydrophobicContact CG1-CZ 4.32Å; K198-F202 HydrophobicContact CB-CD2 3.93Å; K198-F202 HydrophobicContact CB-CE2 3.42Å; K198-F202 VanDerWaalsContact CB-CE2 3.42Å; K198-F202 HydrophobicContact CB-CZ 3.88Å; K198-F202 HydrophobicContact CD-CD2 4.26Å; K198-F202 HydrophobicContact CD-CE2 4.12Å; K198-F202 HydrophobicContact CG-CD2 3.49Å; K198-F202 VanDerWaalsContact CG-CD2 3.49Å; K198-F202 HydrophobicContact CG-CE2 3.44Å; K198-F202 VanDerWaalsContact CG-CE2 3.44Å; K198-F202 HydrophobicContact CG-CG 4.41Å; K198-F202 HydrophobicContact CG-CZ 4.36Å; K198-F202 WeakPolarHBondContact CG-O 3.4Å; K198-F202 PolarHBondContact NZ-O 3.42Å; K198-F202 CarbonylContact O-C 3.41Å; K198-F202 WeakPolarHBondContact O-CA 3.26Å; K198-F202 PolarHBondContact O-N 2.91Å
203	P	92.5	Very high	92.3	Very high	44 Å²	44	59.3 Å²	59.3	29%	0.286	32%	0.319	S	S	.	.			trans	-66.1	144.4	177.7	29.4	-35.5	0	0	0	110.7	K198 S205 A206 C209	K198-P203 VanDerWaalsContact O-N 3.12Å; P203-S205 PolarHBondContact O-N 3.19Å; P203-A206 HydrophobicContact CG-CB 4.46Å; P203-C209 WeakPolarHBondContact CB-SG 3.47Å
204	T	89.6	Confident	92	Very high	74 Å²	74	58 Å²	58	45%	0.454	31%	0.31	S	S	.	.	S	Bend	trans	-63.9	-36.9	176	-46.4	0	0	0	0	110.2	K198 E224 R228	K198-T204 PolarHBondContact NZ-OG1 3.5Å; T204-E224 WeakPolarHBondContact CA-OE1 3.36Å; T204-E224 WeakPolarHBondContact CB-OE1 2.98Å; T204-E224 PolarHBondContact N-OE1 3.19Å; T204-E224 PolarHBondContact OG1-OE1 2.93Å; T204-R228 HydrophobicContact CG2-CB 4.36Å; T204-R228 PolarHBondContact OG1-N 2.94Å
205	S	87.7	Confident	91.9	Very high	22 Å²	22	60.2 Å²	60.2	15%	0.154	32%	0.32	C	S	.	.			trans	-146.6	115.1	175.5	171	0	0	0	0	108.5	A137 P203 R207 D208 C209	A137-S205 WeakPolarHBondContact CB-OG 3.18Å; P203-S205 PolarHBondContact O-N 3.19Å; S205-R207 PolarHBondContact O-N 3.45Å; S205-D208 VanDerWaalsContact CB-OD2 3.25Å; S205-D208 WeakPolarHBondContact CB-OD2 3.4Å; S205-D208 PolarHBondContact O-N 3.27Å; S205-D208 PolarHBondContact OG-OD2 2.93Å; S205-C209 PolarHBondContact O-SG 3.5Å; S205-C209 VanDerWaalsContact O-SG 3.42Å
206	A	87.1	Confident	91.8	Very high	78 Å²	78	65 Å²	65	65%	0.645	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-62	-26.7	177.8	0	0	0	0	0	112.5	P203 D208 C209	P203-A206 HydrophobicContact CG-CB 4.46Å; A206-D208 VanDerWaalsContact C-N 3.27Å; A206-D208 PolarHBondContact O-N 3.31Å; A206-C209 PolarHBondContact O-N 2.95Å
207	R	87.6	Confident	91.7	Very high	168 Å²	168	64.7 Å²	64.7	63%	0.634	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-74	-17.5	176.5	-69.3	-172.7	-67.5	151.7	5.2	113.4	A137 S205	A137-R207 HydrophobicContact CB-CB 3.71Å; A137-R207 PolarHBondContact O-NH1 3.28Å; A137-R207 VanDerWaalsContact O-NH1 3.15Å; A137-R207 PolarHBondContact O-NH2 2.7Å; S205-R207 PolarHBondContact O-N 3.45Å
208	D	89.5	Confident	91.6	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.07	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-101.6	18	175.6	-64.8	-42.9	0	0	0	111.6	T135 P136 A137 S205 A206 F225	T135-D208 WeakPolarHBondContact CB-OD1 3.4Å; T135-D208 PolarHBondContact OG1-OD1 2.82Å; T135-D208 PolarHBondContact OG1-OD2 3.01Å; P136-D208 VanDerWaalsContact CD-OD1 3.31Å; P136-D208 WeakPolarHBondContact CD-OD1 3.5Å; A137-D208 VanDerWaalsContact CB-CG 3.44Å; A137-D208 VanDerWaalsContact CB-OD1 3.25Å; A137-D208 WeakPolarHBondContact CB-OD1 3.26Å; A137-D208 WeakPolarHBondContact CB-OD2 3.09Å; A137-D208 PolarHBondContact N-OD1 3Å; S205-D208 VanDerWaalsContact CB-OD2 3.25Å; S205-D208 WeakPolarHBondContact CB-OD2 3.4Å; S205-D208 PolarHBondContact O-N 3.27Å; S205-D208 PolarHBondContact OG-OD2 2.93Å; A206-D208 VanDerWaalsContact C-N 3.27Å; A206-D208 PolarHBondContact O-N 3.31Å; D208-F225 HydrophobicContact CB-CB 3.94Å; D208-F225 VanDerWaalsContact O-CB 3.26Å; D208-F225 WeakPolarHBondContact O-CB 3.46Å; D208-F225 PolarHBondContact O-N 3.47Å
209	C	91.3	Very high	91.7	Very high	18 Å²	18	63 Å²	63	12%	0.122	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-107	143	174.8	-67.4	0	0	0	0	111.1	P203 S205 A206 F211 I223	P203-C209 WeakPolarHBondContact CB-SG 3.47Å; S205-C209 PolarHBondContact O-SG 3.5Å; S205-C209 VanDerWaalsContact O-SG 3.42Å; A206-C209 PolarHBondContact O-N 2.95Å; C209-F211 HydrophobicContact CB-CE2 3.82Å; C209-F211 HydrophobicContact CB-CZ 4.19Å; C209-I223 CarbonylContact C-O 3.58Å; C209-I223 VanDerWaalsContact CA-O 3.27Å; C209-I223 WeakPolarHBondContact CA-O 3.48Å; C209-I223 HydrophobicContact CB-CG2 4.21Å
210	K	90.1	Very high	91.8	Very high	21 Å²	21	63.1 Å²	63.1	9%	0.091	33%	0.326	C	S	.	.			trans	-130.4	135.1	177.8	-68.3	-168.8	-176.4	-164.7	0	112	W29 R31 W33 I223	W29-K210 WeakPolarHBondContact O-CE 3.42Å; W29-K210 PolarHBondContact O-NZ 3.49Å; R31-K210 HydrophobicContact CG-CD 3.96Å; R31-K210 PolarHBondContact O-NZ 2.95Å; W33-K210 HydrophobicContact CE3-CD 4.07Å; W33-K210 HydrophobicContact CH2-CD 4.09Å; W33-K210 HydrophobicContact CZ3-CD 3.71Å; W33-K210 HydrophobicContact CZ3-CG 4.22Å; W33-K210 VanDerWaalsContact CZ3-NZ 3.33Å; K210-I223 PolarHBondContact N-O 3.42Å
211	F	90.9	Very high	91.8	Very high	108 Å²	108	59.9 Å²	59.9	47%	0.474	32%	0.316	S	S	.	.			trans	-127.8	129.2	179.9	-56.6	-88.8	0	0	0	109.5	Y200 C209 I223	Y200-F211 HydrophobicContact CD1-CD1 4.19Å; Y200-F211 AromaticContact CD1-CE1 3.49Å; Y200-F211 HydrophobicContact CD1-CE1 3.49Å; Y200-F211 VanDerWaalsContact CD1-CE1 3.49Å; Y200-F211 HydrophobicContact CD1-CZ 4.36Å; Y200-F211 AromaticContact CE1-CD1 3.56Å; Y200-F211 HydrophobicContact CE1-CD1 3.56Å; Y200-F211 AromaticContact CE1-CE1 3.34Å; Y200-F211 HydrophobicContact CE1-CE1 3.34Å; Y200-F211 HydrophobicContact CG-CE1 4.2Å; Y200-F211 AromaticContact CZ-CD1 4Å; Y200-F211 AromaticContact CZ-CE1 3.96Å; C209-F211 HydrophobicContact CB-CE2 3.82Å; C209-F211 HydrophobicContact CB-CZ 4.19Å; F211-I223 HydrophobicContact CD1-CD1 4.14Å; F211-I223 HydrophobicContact CD1-CG1 4.45Å; F211-I223 HydrophobicContact CD1-CG2 3.89Å; F211-I223 HydrophobicContact CE1-CB 4.48Å; F211-I223 HydrophobicContact CE1-CD1 3.94Å; F211-I223 HydrophobicContact CE1-CG1 4.43Å; F211-I223 HydrophobicContact CE1-CG2 3.32Å; F211-I223 HydrophobicContact CE2-CG2 4.16Å; F211-I223 HydrophobicContact CZ-CG2 3.48Å; F211-I223 VanDerWaalsContact CZ-CG2 3.48Å
212	T	88.2	Confident	91.8	Very high	27 Å²	27	52.2 Å²	52.2	17%	0.166	28%	0.283	C	S	.	.			trans	-110.2	9	-179.7	67.2	0	0	0	0	113.8	R31 A32 W33 V35 N214 Y217 N218	R31-T212 VanDerWaalsContact NH2-CG2 3.34Å; A32-T212 WeakPolarHBondContact O-CG2 3.33Å; W33-T212 WeakPolarHBondContact O-CB 3.2Å; W33-T212 WeakPolarHBondContact O-CG2 3.4Å; V35-T212 HydrophobicContact CG2-CG2 4.25Å; V35-T212 WeakPolarHBondContact CG2-OG1 3.37Å; T212-N214 PolarHBondContact O-N 2.86Å; T212-Y217 HydrophobicContact CG2-CD1 3.92Å; T212-Y217 HydrophobicContact CG2-CE1 4Å; T212-N218 PolarHBondContact N-OD1 2.88Å; T212-N218 PolarHBondContact OG1-OD1 2.88Å; T212-N218 VanDerWaalsContact OG1-OD1 3.08Å
213	G	85.6	Confident	91.8	Very high	83 Å²	83	47.3 Å²	47.3	86%	0.856	26%	0.261	S	S	*	.	S	Bend	trans	69.6	-12	-174	0	0	0	0	0	115.3
214	N	92.3	Very high	91.9	Very high	34 Å²	34	45.3 Å²	45.3	18%	0.182	25%	0.248	C	C	.	.			trans	-100.3	118.8	178.8	-172.7	-67.3	0	0	0	111.4	V35 L40 T212 F216 Y217 N218	V35-N214 HydrophobicContact CB-CB 4.43Å; V35-N214 HydrophobicContact CG2-CB 4.07Å; L40-N214 WeakPolarHBondContact CD1-ND2 3.26Å; L40-N214 WeakPolarHBondContact CD1-OD1 3.35Å; L40-N214 WeakPolarHBondContact CD2-ND2 3.29Å; T212-N214 PolarHBondContact O-N 2.86Å; N214-F216 PolarHBondContact OD1-N 2.88Å; N214-F216 VanDerWaalsContact OD1-N 3.08Å; N214-Y217 PolarHBondContact OD1-N 3.39Å; N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.24Å; N214-N218 VanDerWaalsContact O-CG 3.27Å; N214-N218 PolarHBondContact O-N 2.94Å; N214-N218 PolarHBondContact O-ND2 3.28Å
215	F	94.1	Very high	92.1	Very high	116 Å²	116	42 Å²	42	51%	0.509	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-50.1	-178	178.5	-93.8	0	0	0	113	M196 Y217 N218 Y219	M196-F215 HydrophobicContact CE-CE2 3.52Å; M196-F215 HydrophobicContact CE-CZ 3.72Å; M196-F215 HydrophobicContact SD-CD2 4.29Å; M196-F215 HydrophobicContact SD-CE2 3.73Å; M196-F215 HydrophobicContact SD-CZ 4.15Å; F215-Y217 PolarHBondContact O-N 3.43Å; F215-N218 PolarHBondContact O-N 3.47Å; F215-Y219 WeakPolarHBondContact O-CB 3.49Å; F215-Y219 PolarHBondContact O-N 3.14Å
216	F	95.6	Very high	92.3	Very high	101 Å²	101	41.6 Å²	41.6	44%	0.443	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-42.9	-176.4	-64.4	-72.3	0	0	0	112	L40 V43 I44 L47 N214 Y219 M220	L40-F216 HydrophobicContact CD1-CB 4.2Å; V43-F216 HydrophobicContact CG1-CB 4.16Å; V43-F216 WeakPolarHBondContact CG1-O 3.44Å; I44-F216 HydrophobicContact CD1-CD2 4.3Å; I44-F216 HydrophobicContact CG1-CB 4.33Å; I44-F216 HydrophobicContact CG1-CD2 4.38Å; I44-F216 HydrophobicContact CG1-CG 4.2Å; L47-F216 HydrophobicContact CD1-CB 4.35Å; L47-F216 HydrophobicContact CD1-CD1 4.23Å; N214-F216 PolarHBondContact OD1-N 2.88Å; N214-F216 VanDerWaalsContact OD1-N 3.08Å; F216-Y219 PolarHBondContact O-N 3.45Å; F216-M220 WeakPolarHBondContact O-CB 3.29Å; F216-M220 PolarHBondContact O-N 2.95Å
217	Y	94.6	Very high	92.7	Very high	17 Å²	17	37.9 Å²	37.9	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-41.6	177.8	-169.9	-96	0	0	0	111.6	R31 A32 V35 V43 T212 N214 F215 Y219 M220 M221	R31-Y217 VanDerWaalsContact CZ-CE1 3.46Å; R31-Y217 PolarHBondContact NH1-O 3.31Å; A32-Y217 WeakPolarHBondContact CB-OH 3.33Å; A32-Y217 PolarHBondContact N-OH 3.37Å; V35-Y217 HydrophobicContact CB-CG 4.37Å; V35-Y217 HydrophobicContact CG1-CD2 3.84Å; V35-Y217 HydrophobicContact CG1-CG 3.92Å; V35-Y217 HydrophobicContact CG2-CD1 3.37Å; V35-Y217 HydrophobicContact CG2-CD2 4.06Å; V35-Y217 HydrophobicContact CG2-CE1 3.99Å; V35-Y217 HydrophobicContact CG2-CG 3.47Å; V35-Y217 VanDerWaalsContact CG2-CG 3.47Å; V43-Y217 HydrophobicContact CG2-CD2 3.75Å; V43-Y217 HydrophobicContact CG2-CE2 4.25Å; T212-Y217 HydrophobicContact CG2-CD1 3.92Å; T212-Y217 HydrophobicContact CG2-CE1 4Å; N214-Y217 PolarHBondContact OD1-N 3.39Å; F215-Y217 PolarHBondContact O-N 3.43Å; Y217-Y219 PolarHBondContact O-N 2.85Å; Y217-M220 PolarHBondContact O-N 3.46Å; Y217-M221 HydrophobicContact CD2-CG 4.33Å; Y217-M221 HydrophobicContact CE1-CB 4.4Å; Y217-M221 HydrophobicContact CE1-CG 4.28Å; Y217-M221 HydrophobicContact CE2-CG 3.87Å; Y217-M221 WeakPolarHBondContact O-CB 3.44Å; Y217-M221 PolarHBondContact O-N 2.9Å
218	N	94.9	Very high	93.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-41.3	173.3	-76.6	-15.1	0	0	0	112.8	R31 T212 N214 F215 G222 I223	R31-N218 PolarHBondContact NH2-OD1 2.91Å; T212-N218 PolarHBondContact N-OD1 2.88Å; T212-N218 PolarHBondContact OG1-OD1 2.88Å; T212-N218 VanDerWaalsContact OG1-OD1 3.08Å; N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.24Å; N214-N218 VanDerWaalsContact O-CG 3.27Å; N214-N218 PolarHBondContact O-N 2.94Å; N214-N218 PolarHBondContact O-ND2 3.28Å; F215-N218 PolarHBondContact O-N 3.47Å; N218-G222 CarbonylContact O-C 3.25Å; N218-G222 VanDerWaalsContact O-CA 3.3Å; N218-G222 WeakPolarHBondContact O-CA 3.24Å; N218-G222 PolarHBondContact O-N 3.43Å; N218-I223 HydrophobicContact CB-CD1 4.14Å; N218-I223 HydrophobicContact CB-CG1 3.9Å
219	Y	96.6	Very high	93.3	Very high	24 Å²	24	34.5 Å²	34.5	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-46.2	177.2	-176.2	-104.2	0	0	0	111.8	L47 Y189 M196 F215 F216 Y217 W304	L47-Y219 HydrophobicContact CD2-CD1 3.97Å; L47-Y219 HydrophobicContact CD2-CE1 4.1Å; Y189-Y219 WeakPolarHBondContact CD1-OH 3.5Å; M196-Y219 HydrophobicContact CB-CD2 4.48Å; M196-Y219 HydrophobicContact CE-CD2 3.92Å; M196-Y219 HydrophobicContact SD-CD2 3.75Å; M196-Y219 HydrophobicContact SD-CG 4.39Å; F215-Y219 WeakPolarHBondContact O-CB 3.49Å; F215-Y219 PolarHBondContact O-N 3.14Å; F216-Y219 PolarHBondContact O-N 3.45Å; Y217-Y219 PolarHBondContact O-N 2.85Å; Y219-W304 HydrophobicContact CD1-CB 3.91Å; Y219-W304 HydrophobicContact CD1-CG 4.38Å; Y219-W304 HydrophobicContact CE1-CB 3.61Å; Y219-W304 AromaticContact CE1-CD1 3.67Å; Y219-W304 AromaticContact CE1-CG 3.75Å; Y219-W304 HydrophobicContact CE1-CG 3.75Å; Y219-W304 PolarHBondContact O-N 3.35Å
220	M	95.6	Very high	93.3	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-53.3	-179.7	-179	134.9	-174.2	0	0	112.7	V43 L46 L47 F216 Y217 G303 W304 Y305	V43-M220 HydrophobicContact CB-SD 4.22Å; V43-M220 HydrophobicContact CG1-CB 3.59Å; V43-M220 HydrophobicContact CG1-CG 4.14Å; V43-M220 HydrophobicContact CG1-SD 3.88Å; V43-M220 HydrophobicContact CG2-CB 4.24Å; V43-M220 HydrophobicContact CG2-CG 4.18Å; V43-M220 HydrophobicContact CG2-SD 4.1Å; L46-M220 HydrophobicContact CB-CE 3.7Å; L46-M220 HydrophobicContact CB-SD 4.06Å; L46-M220 HydrophobicContact CD1-CE 3.64Å; L46-M220 HydrophobicContact CG-CE 4.33Å; L47-M220 HydrophobicContact CD1-CB 4.43Å; L47-M220 HydrophobicContact CD2-CB 4.41Å; L47-M220 HydrophobicContact CD2-SD 4.15Å; L47-M220 HydrophobicContact CG-SD 3.87Å; F216-M220 WeakPolarHBondContact O-CB 3.29Å; F216-M220 PolarHBondContact O-N 2.95Å; Y217-M220 PolarHBondContact O-N 3.46Å; M220-G303 CarbonylContact O-C 3.29Å; M220-W304 HydrophobicContact CE-CE3 4.04Å; M220-W304 HydrophobicContact CE-CZ3 3.84Å; M220-W304 HydrophobicContact CG-CE3 4.39Å; M220-W304 PolarHBondContact O-N 3.01Å; M220-W304 VanDerWaalsContact O-N 3.1Å; M220-W304 HydrophobicContact SD-CE3 3.99Å; M220-W304 HydrophobicContact SD-CZ3 4.1Å; M220-Y305 HydrophobicContact CE-CD2 3.89Å; M220-Y305 HydrophobicContact CE-CG 4.49Å; M220-Y305 WeakPolarHBondContact O-CB 3.39Å; M220-Y305 PolarHBondContact O-N 3.28Å
221	M	94.6	Very high	93.2	Very high	38 Å²	38	43.9 Å²	43.9	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-91.1	-6.2	-170.6	-64.5	-57.4	-61.5	0	0	113.6	R31 Y217 H301	R31-M221 PolarHBondContact NH1-O 3.27Å; Y217-M221 HydrophobicContact CD2-CG 4.33Å; Y217-M221 HydrophobicContact CE1-CB 4.4Å; Y217-M221 HydrophobicContact CE1-CG 4.28Å; Y217-M221 HydrophobicContact CE2-CG 3.87Å; Y217-M221 WeakPolarHBondContact O-CB 3.44Å; Y217-M221 PolarHBondContact O-N 2.9Å; M221-H301 CarbonylContact O-C 3.57Å; M221-H301 VanDerWaalsContact O-CB 3.28Å; M221-H301 WeakPolarHBondContact O-CB 3.34Å; M221-H301 VanDerWaalsContact O-O 3.09Å
222	G	95.2	Very high	93.2	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	24%	0.242	C	C	.	.			trans	80.7	138.1	175.7	0	0	0	0	0	115.3	R31 N218 H301 F302 G303	R31-G222 VanDerWaalsContact NH1-C 3.35Å; R31-G222 PolarHBondContact NH1-O 3.15Å; N218-G222 CarbonylContact O-C 3.25Å; N218-G222 VanDerWaalsContact O-CA 3.3Å; N218-G222 WeakPolarHBondContact O-CA 3.24Å; N218-G222 PolarHBondContact O-N 3.43Å; G222-H301 WeakPolarHBondContact O-CB 3.47Å; G222-F302 VanDerWaalsContact CA-O 3.26Å; G222-F302 WeakPolarHBondContact CA-O 3.4Å; G222-G303 VanDerWaalsContact CA-CA 3.45Å
223	I	94.3	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-88.5	-45.5	-178.2	-68.5	172.9	0	0	0	111.8	M196 Y200 C209 K210 F211 N218 H301	M196-I223 HydrophobicContact CG-CD1 3.79Å; Y200-I223 HydrophobicContact CD2-CD1 3.6Å; Y200-I223 HydrophobicContact CE1-CD1 4.19Å; Y200-I223 HydrophobicContact CE2-CD1 3.07Å; Y200-I223 HydrophobicContact CG-CD1 4.34Å; C209-I223 CarbonylContact C-O 3.58Å; C209-I223 VanDerWaalsContact CA-O 3.27Å; C209-I223 WeakPolarHBondContact CA-O 3.48Å; C209-I223 HydrophobicContact CB-CG2 4.21Å; K210-I223 PolarHBondContact N-O 3.42Å; F211-I223 HydrophobicContact CD1-CD1 4.14Å; F211-I223 HydrophobicContact CD1-CG1 4.45Å; F211-I223 HydrophobicContact CD1-CG2 3.89Å; F211-I223 HydrophobicContact CE1-CB 4.48Å; F211-I223 HydrophobicContact CE1-CD1 3.94Å; F211-I223 HydrophobicContact CE1-CG1 4.43Å; F211-I223 HydrophobicContact CE1-CG2 3.32Å; F211-I223 HydrophobicContact CE2-CG2 4.16Å; F211-I223 HydrophobicContact CZ-CG2 3.48Å; F211-I223 VanDerWaalsContact CZ-CG2 3.48Å; N218-I223 HydrophobicContact CB-CD1 4.14Å; N218-I223 HydrophobicContact CB-CG1 3.9Å; I223-H301 PolarHBondContact O-CD2 3.18Å; I223-H301 VanDerWaalsContact O-CD2 3.3Å
224	E	94.3	Very high	94.1	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-90.6	133.8	-179	-176.4	173.5	-171.7	0	0	109.5	K198 T204 P227 F302	K198-E224 WeakPolarHBondContact CD-OE2 3.45Å; K198-E224 WeakPolarHBondContact CE-OE2 3.39Å; K198-E224 WeakPolarHBondContact CG-OE2 3.27Å; K198-E224 VanDerWaalsContact NZ-CD 3.25Å; K198-E224 IonicContact NZ-OE1 2.76Å; K198-E224 PolarHBondContact NZ-OE1 3.39Å; K198-E224 IonicContact NZ-OE2 2.69Å; K198-E224 PolarHBondContact NZ-OE2 3.07Å; T204-E224 WeakPolarHBondContact CA-OE1 3.36Å; T204-E224 WeakPolarHBondContact CB-OE1 2.98Å; T204-E224 PolarHBondContact N-OE1 3.19Å; T204-E224 PolarHBondContact OG1-OE1 2.93Å; E224-P227 VanDerWaalsContact CD-CA 3.46Å; E224-P227 HydrophobicContact CG-CB 4.32Å; E224-P227 WeakPolarHBondContact OE2-CB 3.39Å; E224-F302 PolarHBondContact O-N 3.41Å
225	F	93.4	Very high	94.3	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.022	19%	0.193	C	C	.	.	S	Bend	trans	-61.5	-60.2	-178.1	-178.7	-137.4	0	0	0	111.8	W29 T135 D208 K236 I297 C298 D300 H301	W29-F225 AromaticContact CH2-CE1 3.74Å; W29-F225 HydrophobicContact CH2-CE1 3.74Å; W29-F225 AromaticContact CH2-CE2 3.95Å; W29-F225 HydrophobicContact CH2-CE2 3.95Å; W29-F225 AromaticContact CH2-CZ 3.45Å; W29-F225 HydrophobicContact CH2-CZ 3.45Å; W29-F225 VanDerWaalsContact CH2-CZ 3.45Å; W29-F225 HydrophobicContact CZ3-CD1 4.45Å; W29-F225 HydrophobicContact CZ3-CD2 4.4Å; W29-F225 HydrophobicContact CZ3-CE1 4.1Å; W29-F225 HydrophobicContact CZ3-CE2 4.06Å; W29-F225 AromaticContact CZ3-CZ 3.93Å; W29-F225 HydrophobicContact CZ3-CZ 3.93Å; T135-F225 HydrophobicContact CG2-CD1 4.08Å; T135-F225 HydrophobicContact CG2-CE1 4.01Å; D208-F225 HydrophobicContact CB-CB 3.94Å; D208-F225 VanDerWaalsContact O-CB 3.26Å; D208-F225 WeakPolarHBondContact O-CB 3.46Å; D208-F225 PolarHBondContact O-N 3.47Å; F225-K236 WeakPolarHBondContact O-CE 3.35Å; F225-K236 PolarHBondContact O-NZ 3.43Å; F225-I297 WeakPolarHBondContact CZ-O 3.32Å; F225-C298 VanDerWaalsContact CZ-C 3.41Å; F225-C298 WeakPolarHBondContact CZ-O 3.44Å; F225-D300 WeakPolarHBondContact CD2-O 3.47Å; F225-D300 WeakPolarHBondContact CE2-O 3.49Å; F225-H301 AromaticContact CD2-CE1 3.77Å; F225-H301 AromaticContact CD2-ND1 3.71Å; F225-H301 PolarHBondContact N-CD2 3.01Å
226	N	93.4	Very high	94.4	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.064	17%	0.17	C	C	.	.	S	Bend	trans	-126.9	87.4	176.7	-67.9	-45	0	0	0	109.8	R228 K236	N226-R228 PolarHBondContact O-N 3Å; N226-K236 VanDerWaalsContact OD1-CD 3.24Å; N226-K236 WeakPolarHBondContact OD1-CD 3.42Å; N226-K236 WeakPolarHBondContact OD1-CE 3.24Å; N226-K236 PolarHBondContact OD1-NZ 3.39Å
227	P	95.4	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.			trans	-63.6	129.9	177.7	18.3	-21.7	0	0	0	110.5	A195 K198 E224 F235 F302	A195-P227 HydrophobicContact CB-CG 4.4Å; K198-P227 HydrophobicContact CD-CB 3.94Å; E224-P227 VanDerWaalsContact CD-CA 3.46Å; E224-P227 HydrophobicContact CG-CB 4.32Å; E224-P227 WeakPolarHBondContact OE2-CB 3.39Å; P227-F235 HydrophobicContact CB-CD2 4.33Å; P227-F235 HydrophobicContact CG-CB 4.05Å; P227-F235 HydrophobicContact CG-CG 4.45Å; P227-F235 WeakPolarHBondContact O-CD2 3.47Å; P227-F235 PolarHBondContact O-N 3.24Å; P227-F235 VanDerWaalsContact O-N 3.15Å; P227-F302 HydrophobicContact CG-CB 3.57Å; P227-F302 HydrophobicContact CG-CD1 3.66Å; P227-F302 HydrophobicContact CG-CG 3.92Å
228	R	95.2	Very high	94.5	Very high	13 Å²	13	29 Å²	29	5%	0.049	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.3	179.7	-69.5	-172.1	167.1	-136.9	-8.4	113.4	K142 Y143 K198 T204 N226 K231 F233 D234	K142-R228 PolarHBondContact O-NH1 3.45Å; Y143-R228 PolarHBondContact OH-NH2 3.36Å; K198-R228 WeakPolarHBondContact CE-O 3.23Å; T204-R228 HydrophobicContact CG2-CB 4.36Å; T204-R228 PolarHBondContact OG1-N 2.94Å; N226-R228 PolarHBondContact O-N 3Å; R228-K231 PolarHBondContact NH1-O 2.89Å; R228-F233 CarbonylContact C-O 3.55Å; R228-F233 WeakPolarHBondContact CA-O 3.3Å; R228-F233 WeakPolarHBondContact CB-O 3.17Å; R228-D234 HydrophobicContact CG-CB 4.33Å; R228-D234 IonicContact CZ-OD2 3.27Å; R228-D234 VanDerWaalsContact CZ-OD2 3.27Å; R228-D234 IonicContact NE-OD2 2.81Å; R228-D234 PolarHBondContact NE-OD2 2.89Å; R228-D234 IonicContact NH2-OD2 2.89Å; R228-D234 PolarHBondContact NH2-OD2 2.94Å
229	I	93.9	Very high	94.6	Very high	97 Å²	97	29.4 Å²	29.4	50%	0.497	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117	161.1	-70.1	159.5	0	0	0	108	F194 F233 F235	F194-I229 HydrophobicContact CZ-CD1 4.38Å; I229-F233 HydrophobicContact CB-CB 4.16Å; I229-F233 HydrophobicContact CB-CD1 4.44Å; I229-F233 HydrophobicContact CD1-CD1 4.45Å; I229-F233 PolarHBondContact N-O 3.15Å; I229-F233 WeakPolarHBondContact O-CB 3.17Å; I229-F233 PolarHBondContact O-N 3.38Å; I229-F235 HydrophobicContact CD1-CE2 3.64Å; I229-F235 HydrophobicContact CD1-CZ 3.58Å; I229-F235 HydrophobicContact CG1-CE2 3.81Å; I229-F235 HydrophobicContact CG1-CZ 4.21Å
230	G	90.9	Very high	94.4	Very high	63 Å²	63	28.9 Å²	28.9	65%	0.649	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-150.4	-172.2	0	0	0	0	0	111.9
231	K	88.6	Confident	94.1	Very high	173 Å²	173	28.7 Å²	28.7	75%	0.752	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-24.5	-177.4	-65.9	-176.5	-179.8	179.2	0	113.7	R228	R228-K231 PolarHBondContact NH1-O 2.89Å
232	W	91.4	Very high	94	Very high	129 Å²	129	26.9 Å²	26.9	49%	0.489	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-30.6	-162	-62.9	112.6	0	0	0	114.5	I129 K142 D234	I129-W232 HydrophobicContact CD1-CH2 4.06Å; I129-W232 HydrophobicContact CG1-CH2 4.45Å; I129-W232 HydrophobicContact CG1-CZ3 4.46Å; I129-W232 HydrophobicContact CG2-CH2 4.43Å; I129-W232 HydrophobicContact CG2-CZ3 4.38Å; K142-W232 HydrophobicContact CB-CH2 4.5Å; K142-W232 HydrophobicContact CB-CZ3 4.09Å; W232-D234 PolarHBondContact O-N 3.43Å
233	F	95.6	Very high	93.9	Very high	26 Å²	26	27 Å²	27	11%	0.114	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	102.5	-177.4	-168.8	-82.4	0	0	0	110.2	V108 Y111 T112 R228 I229 F235 F238	V108-F233 HydrophobicContact CG1-CE2 4.19Å; V108-F233 HydrophobicContact CG2-CE2 4.22Å; V108-F233 HydrophobicContact CG2-CZ 4.49Å; Y111-F233 AromaticContact CD1-CD2 3.7Å; Y111-F233 HydrophobicContact CD1-CD2 3.7Å; Y111-F233 AromaticContact CD1-CE2 3.8Å; Y111-F233 HydrophobicContact CD1-CE2 3.8Å; Y111-F233 AromaticContact CE1-CD2 3.85Å; Y111-F233 HydrophobicContact CE1-CD2 3.85Å; Y111-F233 HydrophobicContact CE1-CE2 4.19Å; Y111-F233 HydrophobicContact CE1-CG 4.25Å; T112-F233 HydrophobicContact CG2-CD2 3.68Å; T112-F233 HydrophobicContact CG2-CE2 4.33Å; R228-F233 CarbonylContact C-O 3.55Å; R228-F233 WeakPolarHBondContact CA-O 3.3Å; R228-F233 WeakPolarHBondContact CB-O 3.17Å; I229-F233 HydrophobicContact CB-CB 4.16Å; I229-F233 HydrophobicContact CB-CD1 4.44Å; I229-F233 HydrophobicContact CD1-CD1 4.45Å; I229-F233 PolarHBondContact N-O 3.15Å; I229-F233 WeakPolarHBondContact O-CB 3.17Å; I229-F233 PolarHBondContact O-N 3.38Å; F233-F235 AromaticContact CD1-CD2 3.85Å; F233-F235 HydrophobicContact CD1-CD2 3.85Å; F233-F235 AromaticContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CZ 4.32Å; F233-F235 HydrophobicContact CE1-CD1 4.41Å; F233-F235 AromaticContact CE1-CD2 3.85Å; F233-F235 HydrophobicContact CE1-CD2 3.85Å; F233-F235 HydrophobicContact CE1-CE1 4.3Å; F233-F235 AromaticContact CE1-CE2 3.74Å; F233-F235 HydrophobicContact CE1-CE2 3.74Å; F233-F235 HydrophobicContact CE1-CG 4.2Å; F233-F235 AromaticContact CE1-CZ 3.97Å; F233-F235 HydrophobicContact CE1-CZ 3.97Å; F233-F238 HydrophobicContact CE1-CB 4.4Å; F233-F238 HydrophobicContact CE1-CD1 4.35Å; F233-F238 HydrophobicContact CE1-CG 4.39Å; F233-F238 HydrophobicContact CE2-CB 4.46Å; F233-F238 HydrophobicContact CE2-CD1 4.34Å; F233-F238 HydrophobicContact CE2-CD2 4.05Å; F233-F238 HydrophobicContact CE2-CE2 4.45Å; F233-F238 HydrophobicContact CE2-CG 4Å; F233-F238 HydrophobicContact CZ-CB 4.03Å; F233-F238 AromaticContact CZ-CD1 3.59Å; F233-F238 HydrophobicContact CZ-CD1 3.59Å; F233-F238 HydrophobicContact CZ-CD2 4.1Å; F233-F238 HydrophobicContact CZ-CE1 4.09Å; F233-F238 AromaticContact CZ-CG 3.6Å; F233-F238 HydrophobicContact CZ-CG 3.6Å
234	D	96.4	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.5	176.5	-168.5	-79.3	0	0	0	110.9	Y111 Y143 R228 W232 K236 L237 F238	Y111-D234 PolarHBondContact OH-N 3.44Å; Y111-D234 PolarHBondContact OH-O 2.99Å; Y143-D234 HydrophobicContact CD1-CB 4.22Å; Y143-D234 HydrophobicContact CE1-CB 3.86Å; R228-D234 HydrophobicContact CG-CB 4.33Å; R228-D234 IonicContact CZ-OD2 3.27Å; R228-D234 VanDerWaalsContact CZ-OD2 3.27Å; R228-D234 IonicContact NE-OD2 2.81Å; R228-D234 PolarHBondContact NE-OD2 2.89Å; R228-D234 IonicContact NH2-OD2 2.89Å; R228-D234 PolarHBondContact NH2-OD2 2.94Å; W232-D234 PolarHBondContact O-N 3.43Å; D234-K236 PolarHBondContact O-N 2.76Å; D234-K236 WeakPolarHBondContact OD1-CB 3.35Å; D234-K236 PolarHBondContact OD1-N 3.15Å; D234-K236 VanDerWaalsContact OD1-N 3.11Å; D234-L237 HydrophobicContact CB-CB 4.47Å; D234-L237 PolarHBondContact OD1-N 2.91Å; D234-F238 WeakPolarHBondContact O-CB 3.27Å; D234-F238 PolarHBondContact O-N 2.97Å
235	F	96.8	Very high	93.8	Very high	13 Å²	13	27.4 Å²	27.4	6%	0.057	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-37.1	-173.6	-83.4	-107.6	0	0	0	112.5	V191 F194 P227 I229 F233 F239 F302	V191-F235 HydrophobicContact CG2-CD1 3.5Å; V191-F235 HydrophobicContact CG2-CE1 3.67Å; F194-F235 AromaticContact CD1-CE1 3.73Å; F194-F235 HydrophobicContact CD1-CE1 3.73Å; F194-F235 AromaticContact CD1-CZ 3.72Å; F194-F235 HydrophobicContact CD1-CZ 3.72Å; F194-F235 AromaticContact CE1-CE1 3.78Å; F194-F235 HydrophobicContact CE1-CE1 3.78Å; F194-F235 AromaticContact CE1-CE2 3.88Å; F194-F235 HydrophobicContact CE1-CE2 3.88Å; F194-F235 AromaticContact CE1-CZ 3.24Å; F194-F235 HydrophobicContact CE1-CZ 3.24Å; F194-F235 HydrophobicContact CZ-CZ 4.17Å; P227-F235 HydrophobicContact CB-CD2 4.33Å; P227-F235 HydrophobicContact CG-CB 4.05Å; P227-F235 HydrophobicContact CG-CG 4.45Å; P227-F235 WeakPolarHBondContact O-CD2 3.47Å; P227-F235 PolarHBondContact O-N 3.24Å; P227-F235 VanDerWaalsContact O-N 3.15Å; I229-F235 HydrophobicContact CD1-CE2 3.64Å; I229-F235 HydrophobicContact CD1-CZ 3.58Å; I229-F235 HydrophobicContact CG1-CE2 3.81Å; I229-F235 HydrophobicContact CG1-CZ 4.21Å; F233-F235 AromaticContact CD1-CD2 3.85Å; F233-F235 HydrophobicContact CD1-CD2 3.85Å; F233-F235 AromaticContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CZ 4.32Å; F233-F235 HydrophobicContact CE1-CD1 4.41Å; F233-F235 AromaticContact CE1-CD2 3.85Å; F233-F235 HydrophobicContact CE1-CD2 3.85Å; F233-F235 HydrophobicContact CE1-CE1 4.3Å; F233-F235 AromaticContact CE1-CE2 3.74Å; F233-F235 HydrophobicContact CE1-CE2 3.74Å; F233-F235 HydrophobicContact CE1-CG 4.2Å; F233-F235 AromaticContact CE1-CZ 3.97Å; F233-F235 HydrophobicContact CE1-CZ 3.97Å; F235-F239 HydrophobicContact CB-CD2 4.5Å; F235-F239 HydrophobicContact CD1-CD2 4.1Å; F235-F239 AromaticContact CD1-CE2 3.74Å; F235-F239 HydrophobicContact CD1-CE2 3.74Å; F235-F239 HydrophobicContact CE1-CE2 4.19Å; F235-F239 WeakPolarHBondContact O-CB 3.21Å; F235-F239 WeakPolarHBondContact O-CD2 3.3Å; F235-F239 PolarHBondContact O-N 2.97Å; F235-F302 HydrophobicContact CB-CD1 4.09Å; F235-F302 HydrophobicContact CB-CE1 3.92Å; F235-F302 HydrophobicContact CB-CZ 4.17Å; F235-F302 HydrophobicContact CD1-CE1 4.12Å; F235-F302 HydrophobicContact CG-CE1 4.44Å
236	K	95.6	Very high	94	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-52.8	-178.3	-64.8	-171.1	176.9	164.8	0	111.2	F225 N226 D234 F238 N240 D296 I297 D300 F302 L306	F225-K236 WeakPolarHBondContact O-CE 3.35Å; F225-K236 PolarHBondContact O-NZ 3.43Å; N226-K236 VanDerWaalsContact OD1-CD 3.24Å; N226-K236 WeakPolarHBondContact OD1-CD 3.42Å; N226-K236 WeakPolarHBondContact OD1-CE 3.24Å; N226-K236 PolarHBondContact OD1-NZ 3.39Å; D234-K236 PolarHBondContact O-N 2.76Å; D234-K236 WeakPolarHBondContact OD1-CB 3.35Å; D234-K236 PolarHBondContact OD1-N 3.15Å; D234-K236 VanDerWaalsContact OD1-N 3.11Å; K236-F238 VanDerWaalsContact C-N 3.28Å; K236-F238 PolarHBondContact O-N 3.05Å; K236-N240 WeakPolarHBondContact O-CB 3.18Å; K236-N240 PolarHBondContact O-N 3.42Å; K236-D296 VanDerWaalsContact CD-O 3.24Å; K236-D296 WeakPolarHBondContact CD-O 3.29Å; K236-D296 VanDerWaalsContact CE-O 3.27Å; K236-D296 WeakPolarHBondContact CE-O 3.43Å; K236-D296 PolarHBondContact NZ-O 2.9Å; K236-I297 HydrophobicContact CB-CD1 3.56Å; K236-I297 HydrophobicContact CD-CD1 4.07Å; K236-I297 PolarHBondContact NZ-O 3.35Å; K236-D300 WeakPolarHBondContact CE-O 3.44Å; K236-D300 PolarHBondContact NZ-O 2.59Å; K236-F302 HydrophobicContact CB-CD2 4.45Å; K236-F302 HydrophobicContact CG-CB 3.94Å; K236-F302 HydrophobicContact CG-CD2 3.68Å; K236-F302 HydrophobicContact CG-CG 4.1Å; K236-L306 HydrophobicContact CD-CD1 4.45Å
237	L	95.7	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-38.6	-179.1	-174.7	65.7	0	0	0	111	Y111 Y143 I145 D234 G241 Y291 L292	Y111-L237 HydrophobicContact CE2-CD2 4.15Å; Y111-L237 HydrophobicContact CE2-CG 4.29Å; Y143-L237 HydrophobicContact CD1-CB 4.27Å; Y143-L237 HydrophobicContact CD1-CD2 3.57Å; Y143-L237 HydrophobicContact CE1-CB 4.37Å; Y143-L237 HydrophobicContact CE1-CD2 4.43Å; Y143-L237 HydrophobicContact CG-CD2 4.22Å; I145-L237 HydrophobicContact CD1-CD2 3.9Å; D234-L237 HydrophobicContact CB-CB 4.47Å; D234-L237 PolarHBondContact OD1-N 2.91Å; L237-G241 PolarHBondContact O-N 2.98Å; L237-Y291 HydrophobicContact CD1-CD1 4.34Å; L237-L292 HydrophobicContact CD1-CD2 4.24Å; L237-L292 HydrophobicContact CD2-CD2 4.18Å
238	F	97.1	Very high	94.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-58	177.5	176.3	-104.7	0	0	0	111.8	Q107 V108 Y111 F233 D234 K236 R242 P243	Q107-F238 HydrophobicContact CB-CE2 4.13Å; Q107-F238 HydrophobicContact CB-CZ 4.25Å; V108-F238 HydrophobicContact CB-CE2 4.47Å; V108-F238 HydrophobicContact CB-CZ 4.44Å; V108-F238 HydrophobicContact CG2-CE1 4.1Å; V108-F238 HydrophobicContact CG2-CE2 3.86Å; V108-F238 HydrophobicContact CG2-CZ 3.44Å; V108-F238 VanDerWaalsContact CG2-CZ 3.44Å; Y111-F238 HydrophobicContact CD1-CB 4.16Å; Y111-F238 AromaticContact CD1-CD2 3.71Å; Y111-F238 HydrophobicContact CD1-CD2 3.71Å; Y111-F238 HydrophobicContact CD1-CG 4.29Å; Y111-F238 HydrophobicContact CD2-CD2 4.31Å; Y111-F238 HydrophobicContact CE1-CB 3.93Å; Y111-F238 HydrophobicContact CE1-CD2 4.34Å; Y111-F238 AromaticContact CG-CD2 3.68Å; Y111-F238 HydrophobicContact CG-CD2 3.68Å; Y111-F238 HydrophobicContact CG-CE2 4.46Å; F233-F238 HydrophobicContact CE1-CB 4.4Å; F233-F238 HydrophobicContact CE1-CD1 4.35Å; F233-F238 HydrophobicContact CE1-CG 4.39Å; F233-F238 HydrophobicContact CE2-CB 4.46Å; F233-F238 HydrophobicContact CE2-CD1 4.34Å; F233-F238 HydrophobicContact CE2-CD2 4.05Å; F233-F238 HydrophobicContact CE2-CE2 4.45Å; F233-F238 HydrophobicContact CE2-CG 4Å; F233-F238 HydrophobicContact CZ-CB 4.03Å; F233-F238 AromaticContact CZ-CD1 3.59Å; F233-F238 HydrophobicContact CZ-CD1 3.59Å; F233-F238 HydrophobicContact CZ-CD2 4.1Å; F233-F238 HydrophobicContact CZ-CE1 4.09Å; F233-F238 AromaticContact CZ-CG 3.6Å; F233-F238 HydrophobicContact CZ-CG 3.6Å; D234-F238 WeakPolarHBondContact O-CB 3.27Å; D234-F238 PolarHBondContact O-N 2.97Å; K236-F238 VanDerWaalsContact C-N 3.28Å; K236-F238 PolarHBondContact O-N 3.05Å; F238-R242 HydrophobicContact CD2-CB 3.87Å; F238-R242 HydrophobicContact CD2-CG 3.81Å; F238-R242 HydrophobicContact CE2-CB 3.76Å; F238-R242 HydrophobicContact CE2-CG 4.1Å; F238-R242 HydrophobicContact CZ-CB 4.48Å; F238-R242 VanDerWaalsContact O-CB 3.29Å; F238-R242 WeakPolarHBondContact O-CB 3.33Å; F238-R242 PolarHBondContact O-N 2.94Å; F238-P243 HydrophobicContact CE1-CG 4.18Å; F238-P243 HydrophobicContact CZ-CG 4.42Å; F238-P243 WeakPolarHBondContact O-CD 3.37Å
239	F	96.1	Very high	94.4	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-40.7	-173	-85.7	-81.1	0	0	0	112.6	L187 V191 F235 P243 F302 D310 C311	L187-F239 HydrophobicContact CD1-CE1 4.37Å; L187-F239 HydrophobicContact CD1-CZ 4.33Å; L187-F239 HydrophobicContact CD2-CE1 3.94Å; L187-F239 HydrophobicContact CG-CE1 4.03Å; L187-F239 HydrophobicContact CG-CZ 4.48Å; V191-F239 HydrophobicContact CB-CE1 4.36Å; V191-F239 HydrophobicContact CB-CE2 4.13Å; V191-F239 HydrophobicContact CB-CZ 3.82Å; V191-F239 HydrophobicContact CG1-CE1 4.23Å; V191-F239 HydrophobicContact CG1-CE2 4.5Å; V191-F239 HydrophobicContact CG1-CZ 4.16Å; V191-F239 HydrophobicContact CG2-CD2 3.92Å; V191-F239 HydrophobicContact CG2-CE1 4.3Å; V191-F239 HydrophobicContact CG2-CE2 3.24Å; V191-F239 HydrophobicContact CG2-CZ 3.45Å; V191-F239 VanDerWaalsContact CG2-CZ 3.45Å; F235-F239 HydrophobicContact CB-CD2 4.5Å; F235-F239 HydrophobicContact CD1-CD2 4.1Å; F235-F239 AromaticContact CD1-CE2 3.74Å; F235-F239 HydrophobicContact CD1-CE2 3.74Å; F235-F239 HydrophobicContact CE1-CE2 4.19Å; F235-F239 WeakPolarHBondContact O-CB 3.21Å; F235-F239 WeakPolarHBondContact O-CD2 3.3Å; F235-F239 PolarHBondContact O-N 2.97Å; F239-P243 HydrophobicContact CD1-CG 3.89Å; F239-P243 HydrophobicContact CE1-CG 4.36Å; F239-F302 HydrophobicContact CB-CE2 4.42Å; F239-F302 HydrophobicContact CB-CZ 4.35Å; F239-F302 AromaticContact CD2-CZ 3.99Å; F239-F302 HydrophobicContact CD2-CZ 3.99Å; F239-F302 HydrophobicContact CG-CZ 4.29Å; F239-D310 HydrophobicContact CB-CB 4.14Å; F239-C311 WeakPolarHBondContact CD1-SG 3.29Å; F239-C311 VanDerWaalsContact CE1-SG 3.5Å
240	N	92.3	Very high	94.6	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.07	12%	0.121	C	C	.	.	I	π-helix	trans	-62.3	-50.4	178.9	-174.4	-96.1	0	0	0	112	K236 I245 Y291 D310	K236-N240 WeakPolarHBondContact O-CB 3.18Å; K236-N240 PolarHBondContact O-N 3.42Å; N240-I245 VanDerWaalsContact O-CD1 3.27Å; N240-I245 WeakPolarHBondContact O-CD1 3.41Å; N240-I245 VanDerWaalsContact O-CG1 3.24Å; N240-I245 WeakPolarHBondContact O-CG1 3.12Å; N240-Y291 HydrophobicContact CB-CE1 4.21Å; N240-Y291 VanDerWaalsContact CG-CZ 3.47Å; N240-Y291 PolarHBondContact ND2-OH 2.98Å; N240-Y291 VanDerWaalsContact OD1-CE1 3.24Å; N240-Y291 WeakPolarHBondContact OD1-CE1 3.41Å; N240-Y291 PolarHBondContact OD1-OH 2.91Å; N240-D310 WeakPolarHBondContact CA-OD2 3.17Å; N240-D310 PolarHBondContact N-OD2 2.68Å; N240-D310 PolarHBondContact ND2-OD1 3.28Å; N240-D310 VanDerWaalsContact ND2-OD1 3.15Å
241	G	89.4	Confident	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-84.8	-45	-174	0	0	0	0	0	114.4	L237 I245 V246 F285	L237-G241 PolarHBondContact O-N 2.98Å; G241-I245 WeakPolarHBondContact O-CB 3.5Å; G241-V246 PolarHBondContact O-N 2.85Å; G241-F285 WeakPolarHBondContact O-CZ 3.3Å
242	R	94.1	Very high	95.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-86.3	-75.5	-160.9	-54.9	-68.9	178.6	-77.9	-0.9	112.9	Q107 Y111 N146 F238 G244 V246 E288	Q107-R242 HydrophobicContact CB-CB 4.13Å; Q107-R242 HydrophobicContact CG-CB 4.47Å; Y111-R242 HydrophobicContact CD2-CG 4.09Å; Y111-R242 HydrophobicContact CG-CG 4.45Å; N146-R242 PolarHBondContact OD1-NH2 3Å; F238-R242 HydrophobicContact CD2-CB 3.87Å; F238-R242 HydrophobicContact CD2-CG 3.81Å; F238-R242 HydrophobicContact CE2-CB 3.76Å; F238-R242 HydrophobicContact CE2-CG 4.1Å; F238-R242 HydrophobicContact CZ-CB 4.48Å; F238-R242 VanDerWaalsContact O-CB 3.29Å; F238-R242 WeakPolarHBondContact O-CB 3.33Å; F238-R242 PolarHBondContact O-N 2.94Å; R242-G244 VanDerWaalsContact C-N 3.25Å; R242-G244 PolarHBondContact O-N 3.45Å; R242-V246 VanDerWaalsContact O-CB 3.27Å; R242-V246 WeakPolarHBondContact O-CB 3.31Å; R242-V246 WeakPolarHBondContact O-CG2 3.41Å; R242-V246 PolarHBondContact O-N 3.15Å; R242-E288 IonicContact CZ-OE1 2.89Å; R242-E288 IonicContact NH1-OE1 3.17Å; R242-E288 PolarHBondContact NH1-OE1 2.94Å; R242-E288 IonicContact NH2-OE1 2.77Å; R242-E288 PolarHBondContact NH2-OE1 3.49Å; R242-E288 IonicContact NH2-OE2 2.67Å; R242-E288 PolarHBondContact NH2-OE2 3.39Å
243	P	92.3	Very high	95.7	Very high	4 Å²	4	8.2 Å²	8.2	3%	0.026	4%	0.042	C	C	.	.	I	π-helix	trans	-68.3	-24.1	-172.9	31.5	-36.1	0	0	0	113.3	W103 F238 F239 A247	W103-P243 PolarHBondContact NE1-O 2.91Å; F238-P243 HydrophobicContact CE1-CG 4.18Å; F238-P243 HydrophobicContact CZ-CG 4.42Å; F238-P243 WeakPolarHBondContact O-CD 3.37Å; F239-P243 HydrophobicContact CD1-CG 3.89Å; F239-P243 HydrophobicContact CE1-CG 4.36Å; P243-A247 WeakPolarHBondContact O-CB 3.29Å
244	G	91.6	Very high	95.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-90	-71.8	178.9	0	0	0	0	0	113.2	R242 V246 A247 W248	R242-G244 VanDerWaalsContact C-N 3.25Å; R242-G244 PolarHBondContact O-N 3.45Å; G244-V246 PolarHBondContact O-N 3.47Å; G244-A247 WeakPolarHBondContact O-CB 3.38Å; G244-A247 PolarHBondContact O-N 3.22Å; G244-A247 VanDerWaalsContact O-N 3.1Å; G244-W248 PolarHBondContact O-N 3.05Å
245	I	95.5	Very high	95.9	Very high	12 Å²	12	7 Å²	7	6%	0.062	4%	0.036	C	C	.	.	I	π-helix	trans	-64.9	-39.2	-172.6	-67.9	172.7	0	0	0	112.8	N240 G241 A247 W248 V281 F284 F285 L314	N240-I245 VanDerWaalsContact O-CD1 3.27Å; N240-I245 WeakPolarHBondContact O-CD1 3.41Å; N240-I245 VanDerWaalsContact O-CG1 3.24Å; N240-I245 WeakPolarHBondContact O-CG1 3.12Å; G241-I245 WeakPolarHBondContact O-CB 3.5Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 3.49Å; I245-W248 WeakPolarHBondContact O-CB 3.32Å; I245-W248 PolarHBondContact O-N 3.32Å; I245-V281 HydrophobicContact CG2-CB 4.38Å; I245-V281 HydrophobicContact CG2-CG1 3.68Å; I245-V281 HydrophobicContact CG2-CG2 4.06Å; I245-F284 HydrophobicContact CD1-CD1 3.97Å; I245-F284 HydrophobicContact CD1-CD2 4.24Å; I245-F284 HydrophobicContact CD1-CE1 3.59Å; I245-F284 HydrophobicContact CD1-CE2 3.86Å; I245-F284 HydrophobicContact CD1-CG 4.29Å; I245-F284 HydrophobicContact CD1-CZ 3.53Å; I245-F284 HydrophobicContact CG2-CD1 3.98Å; I245-F284 HydrophobicContact CG2-CE1 4.27Å; I245-F285 HydrophobicContact CB-CZ 4.2Å; I245-F285 HydrophobicContact CG2-CE2 3.67Å; I245-F285 HydrophobicContact CG2-CZ 3.68Å; I245-L314 HydrophobicContact CD1-CD1 4.32Å; I245-L314 HydrophobicContact CG1-CD1 3.72Å; I245-L314 HydrophobicContact CG1-CD2 4.21Å
246	V	96.9	Very high	96	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-65.5	-37.5	173.9	-172.5	0	0	0	0	111	W103 T154 G241 R242 G244 W248 T249 F285	W103-V246 HydrophobicContact CH2-CB 3.96Å; W103-V246 HydrophobicContact CH2-CG1 3.74Å; W103-V246 HydrophobicContact CZ2-CB 4.21Å; W103-V246 HydrophobicContact CZ2-CG1 4.48Å; T154-V246 HydrophobicContact CG2-CG1 3.8Å; G241-V246 PolarHBondContact O-N 2.85Å; R242-V246 VanDerWaalsContact O-CB 3.27Å; R242-V246 WeakPolarHBondContact O-CB 3.31Å; R242-V246 WeakPolarHBondContact O-CG2 3.41Å; R242-V246 PolarHBondContact O-N 3.15Å; G244-V246 PolarHBondContact O-N 3.47Å; V246-W248 VanDerWaalsContact C-N 3.3Å; V246-W248 PolarHBondContact O-N 3.23Å; V246-T249 PolarHBondContact O-OG1 3.01Å; V246-F285 HydrophobicContact CG2-CE1 4.33Å; V246-F285 HydrophobicContact CG2-CE2 3.96Å; V246-F285 HydrophobicContact CG2-CZ 3.46Å; V246-F285 VanDerWaalsContact CG2-CZ 3.46Å
247	A	96.4	Very high	96.2	Very high	12 Å²	12	7.9 Å²	7.9	10%	0.099	5%	0.048	C	C	.	.	H	α-helix	trans	-67	-32.4	178	0	0	0	0	0	112	W103 P243 G244 I245 T249 L250 I251	W103-A247 HydrophobicContact CZ2-CB 3.69Å; P243-A247 WeakPolarHBondContact O-CB 3.29Å; G244-A247 WeakPolarHBondContact O-CB 3.38Å; G244-A247 PolarHBondContact O-N 3.22Å; G244-A247 VanDerWaalsContact O-N 3.1Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 3.49Å; A247-T249 PolarHBondContact O-N 3.28Å; A247-L250 CarbonylContact O-C 3.53Å; A247-L250 WeakPolarHBondContact O-CB 3.44Å; A247-L250 PolarHBondContact O-N 2.92Å; A247-I251 HydrophobicContact CB-CD1 4.13Å; A247-I251 WeakPolarHBondContact O-CB 3.2Å; A247-I251 WeakPolarHBondContact O-CD1 3.44Å; A247-I251 WeakPolarHBondContact O-CG1 3.27Å; A247-I251 PolarHBondContact O-N 3.37Å
248	W	97.9	Very high	96.3	Very high	14 Å²	14	9.1 Å²	9.1	5%	0.053	5%	0.053	C	C	.	.	H	α-helix	trans	-49.1	-54.2	-179.7	-176.9	0.2	0	0	0	112	G244 I245 V246 L250 I251 N252 Q277 Y280 V281 L314 Y318 T319	G244-W248 PolarHBondContact O-N 3.05Å; I245-W248 WeakPolarHBondContact O-CB 3.32Å; I245-W248 PolarHBondContact O-N 3.32Å; V246-W248 VanDerWaalsContact C-N 3.3Å; V246-W248 PolarHBondContact O-N 3.23Å; W248-L250 PolarHBondContact O-N 3.42Å; W248-I251 WeakPolarHBondContact O-CB 3.31Å; W248-I251 PolarHBondContact O-N 2.67Å; W248-N252 VanDerWaalsContact CD1-ND2 3.35Å; W248-N252 PolarHBondContact NE1-ND2 2.78Å; W248-N252 PolarHBondContact O-N 3.28Å; W248-N252 VanDerWaalsContact O-N 3.08Å; W248-N252 PolarHBondContact O-ND2 2.88Å; W248-Q277 HydrophobicContact CZ2-CB 4.01Å; W248-Q277 HydrophobicContact CZ2-CG 3.79Å; W248-Y280 AromaticContact CH2-CD1 3.73Å; W248-Y280 HydrophobicContact CH2-CD1 3.73Å; W248-Y280 AromaticContact CH2-CE1 4Å; W248-Y280 HydrophobicContact CH2-CE1 4Å; W248-Y280 AromaticContact CZ3-CD1 3.61Å; W248-Y280 HydrophobicContact CZ3-CD1 3.61Å; W248-Y280 AromaticContact CZ3-CE1 3.71Å; W248-Y280 HydrophobicContact CZ3-CE1 3.71Å; W248-V281 HydrophobicContact CD2-CG2 3.94Å; W248-V281 HydrophobicContact CE3-CG2 3.44Å; W248-V281 VanDerWaalsContact CE3-CG2 3.44Å; W248-V281 HydrophobicContact CG-CG2 4.49Å; W248-V281 HydrophobicContact CZ3-CG2 3.82Å; W248-L314 HydrophobicContact CE3-CD2 4.32Å; W248-Y318 HydrophobicContact CE3-CD2 4.23Å; W248-Y318 AromaticContact CH2-CD2 3.61Å; W248-Y318 HydrophobicContact CH2-CD2 3.61Å; W248-Y318 HydrophobicContact CH2-CE2 4.41Å; W248-Y318 HydrophobicContact CH2-CG 4.45Å; W248-Y318 HydrophobicContact CZ2-CD2 4.01Å; W248-Y318 HydrophobicContact CZ2-CG 4.42Å; W248-Y318 AromaticContact CZ3-CD2 3.73Å; W248-Y318 HydrophobicContact CZ3-CD2 3.73Å; W248-Y318 HydrophobicContact CZ3-CE2 4.4Å; W248-Y318 PolarHBondContact NE1-O 3.25Å; W248-T319 HydrophobicContact CG-CG2 4.25Å
249	T	97.6	Very high	96.3	Very high	6 Å²	6	9 Å²	9	4%	0.037	5%	0.052	C	C	.	.	H	α-helix	trans	-69.6	-31.8	-179.4	46.8	0	0	0	0	112.6	W151 H155 V246 A247 N252 L253 A278 V281	W151-T249 PolarHBondContact NE1-OG1 3.35Å; H155-T249 PolarHBondContact CE1-OG1 2.94Å; H155-T249 WeakPolarHBondContact NE2-CB 3.47Å; H155-T249 PolarHBondContact NE2-OG1 3.48Å; V246-T249 PolarHBondContact O-OG1 3.01Å; A247-T249 PolarHBondContact O-N 3.28Å; T249-N252 PolarHBondContact O-N 3.49Å; T249-L253 VanDerWaalsContact O-CG 3.28Å; T249-L253 WeakPolarHBondContact O-CG 2.98Å; T249-L253 PolarHBondContact O-N 2.83Å; T249-A278 HydrophobicContact CG2-CB 4.27Å; T249-V281 HydrophobicContact CG2-CB 3.85Å; T249-V281 HydrophobicContact CG2-CG1 3.98Å; T249-V281 HydrophobicContact CG2-CG2 3.93Å
250	L	97.6	Very high	96.4	Very high	13 Å²	13	16.2 Å²	16.2	7%	0.068	8%	0.079	C	C	.	.	H	α-helix	trans	-66.4	-39.5	172	-70.9	-177.4	0	0	0	112.9	W103 T154 W158 I173 A247 W248 N252 L253 S254	W103-L250 HydrophobicContact CH2-CD1 3.9Å; W103-L250 HydrophobicContact CZ3-CD1 3.74Å; T154-L250 HydrophobicContact CG2-CD1 3.63Å; T154-L250 HydrophobicContact CG2-CD2 4.44Å; T154-L250 HydrophobicContact CG2-CG 4.29Å; W158-L250 HydrophobicContact CB-CD2 3.79Å; W158-L250 HydrophobicContact CG-CD2 3.77Å; I173-L250 HydrophobicContact CD1-CB 3.96Å; A247-L250 CarbonylContact O-C 3.53Å; A247-L250 WeakPolarHBondContact O-CB 3.44Å; A247-L250 PolarHBondContact O-N 2.92Å; W248-L250 PolarHBondContact O-N 3.42Å; L250-N252 VanDerWaalsContact C-N 3.35Å; L250-L253 PolarHBondContact O-N 2.88Å; L250-S254 PolarHBondContact O-N 3.48Å
251	I	98.4	Very high	96.7	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-48.7	176.3	-67.9	157.9	0	0	0	109	I173 W177 A247 W248 L253 S254 F255 P315 T319	I173-I251 HydrophobicContact CG2-CG1 3.9Å; W177-I251 HydrophobicContact CH2-CD1 3.91Å; W177-I251 HydrophobicContact CH2-CG1 4.22Å; W177-I251 HydrophobicContact CH2-CG2 3.64Å; W177-I251 HydrophobicContact CZ2-CG2 4.43Å; W177-I251 HydrophobicContact CZ3-CB 4.45Å; W177-I251 HydrophobicContact CZ3-CD1 3.89Å; W177-I251 HydrophobicContact CZ3-CG1 3.84Å; W177-I251 HydrophobicContact CZ3-CG2 3.7Å; A247-I251 HydrophobicContact CB-CD1 4.13Å; A247-I251 WeakPolarHBondContact O-CB 3.2Å; A247-I251 WeakPolarHBondContact O-CD1 3.44Å; A247-I251 WeakPolarHBondContact O-CG1 3.27Å; A247-I251 PolarHBondContact O-N 3.37Å; W248-I251 WeakPolarHBondContact O-CB 3.31Å; W248-I251 PolarHBondContact O-N 2.67Å; I251-L253 VanDerWaalsContact C-N 3.34Å; I251-L253 PolarHBondContact O-N 2.88Å; I251-S254 WeakPolarHBondContact O-CB 3.46Å; I251-S254 PolarHBondContact O-N 3.47Å; I251-S254 VanDerWaalsContact O-N 3.13Å; I251-F255 HydrophobicContact CG2-CD1 4.29Å; I251-F255 HydrophobicContact CG2-CD2 4.05Å; I251-F255 HydrophobicContact CG2-CE1 3.78Å; I251-F255 HydrophobicContact CG2-CE2 3.51Å; I251-F255 HydrophobicContact CG2-CG 4.45Å; I251-F255 HydrophobicContact CG2-CZ 3.36Å; I251-F255 WeakPolarHBondContact O-CD1 3.31Å; I251-F255 WeakPolarHBondContact O-CG 3.25Å; I251-F255 PolarHBondContact O-N 3.28Å; I251-P315 HydrophobicContact CD1-CB 3.69Å; I251-T319 HydrophobicContact CB-CG2 4.04Å; I251-T319 HydrophobicContact CD1-CG2 4.42Å; I251-T319 HydrophobicContact CG2-CG2 3.7Å
252	N	98.3	Very high	97	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-42.4	177.1	-72.9	-29.4	0	0	0	112.9	W248 T249 L250 S254 F255 A256 N274 Q277	W248-N252 VanDerWaalsContact CD1-ND2 3.35Å; W248-N252 PolarHBondContact NE1-ND2 2.78Å; W248-N252 PolarHBondContact O-N 3.28Å; W248-N252 VanDerWaalsContact O-N 3.08Å; W248-N252 PolarHBondContact O-ND2 2.88Å; T249-N252 PolarHBondContact O-N 3.49Å; L250-N252 VanDerWaalsContact C-N 3.35Å; N252-S254 VanDerWaalsContact C-N 3.33Å; N252-S254 PolarHBondContact O-N 3.26Å; N252-F255 WeakPolarHBondContact O-CB 3.45Å; N252-F255 PolarHBondContact O-N 3.45Å; N252-F255 VanDerWaalsContact O-N 3.16Å; N252-A256 PolarHBondContact O-N 3.43Å; N252-N274 VanDerWaalsContact CB-OD1 3.23Å; N252-N274 WeakPolarHBondContact CB-OD1 3.44Å; N252-N274 PolarHBondContact O-OD1 3.1Å; N252-Q277 PolarHBondContact ND2-OE1 3.36Å; N252-Q277 PolarHBondContact OD1-OE1 3.09Å
253	L	98.3	Very high	97.2	Very high	35 Å²	35	28 Å²	28	18%	0.183	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-40.1	175.4	-72.5	173	0	0	0	111.7	W158 F159 T249 L250 I251 F255 A256 A257 N274	W158-L253 HydrophobicContact CD2-CD1 4.42Å; W158-L253 HydrophobicContact CE3-CD1 4Å; W158-L253 HydrophobicContact CH2-CB 3.82Å; W158-L253 HydrophobicContact CZ2-CB 3.89Å; W158-L253 HydrophobicContact CZ3-CB 4.2Å; W158-L253 HydrophobicContact CZ3-CD1 4.08Å; W158-L253 HydrophobicContact CZ3-CD2 4.48Å; W158-L253 HydrophobicContact CZ3-CG 4.49Å; F159-L253 HydrophobicContact CE2-CD1 4.46Å; F159-L253 HydrophobicContact CZ-CD1 4.3Å; F159-L253 HydrophobicContact CZ-CD2 4.39Å; T249-L253 VanDerWaalsContact O-CG 3.28Å; T249-L253 WeakPolarHBondContact O-CG 2.98Å; T249-L253 PolarHBondContact O-N 2.83Å; L250-L253 PolarHBondContact O-N 2.88Å; I251-L253 VanDerWaalsContact C-N 3.34Å; I251-L253 PolarHBondContact O-N 2.88Å; L253-F255 VanDerWaalsContact C-N 3.32Å; L253-F255 PolarHBondContact O-N 3.29Å; L253-A256 PolarHBondContact O-N 2.92Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.42Å; L253-N274 PolarHBondContact N-OD1 3.49Å
254	S	98.5	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-34.9	173.9	-177.3	0	0	0	0	112.3	P170 T171 I173 F174 L250 I251 N252 K258	P170-S254 WeakPolarHBondContact O-CA 3.38Å; P170-S254 WeakPolarHBondContact O-CB 3.5Å; P170-S254 PolarHBondContact O-OG 3.38Å; T171-S254 VanDerWaalsContact C-OG 3.27Å; T171-S254 WeakPolarHBondContact CA-OG 3.3Å; T171-S254 PolarHBondContact O-OG 2.79Å; I173-S254 PolarHBondContact N-OG 3.35Å; F174-S254 PolarHBondContact N-OG 3.47Å; F174-S254 VanDerWaalsContact N-OG 3.11Å; L250-S254 PolarHBondContact O-N 3.48Å; I251-S254 WeakPolarHBondContact O-CB 3.46Å; I251-S254 PolarHBondContact O-N 3.47Å; I251-S254 VanDerWaalsContact O-N 3.13Å; N252-S254 VanDerWaalsContact C-N 3.33Å; N252-S254 PolarHBondContact O-N 3.26Å; S254-K258 WeakPolarHBondContact O-CB 3.43Å; S254-K258 PolarHBondContact O-N 2.82Å
255	F	98.5	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-43.3	175	-67.9	-7.3	0	0	0	111.3	F174 W177 I251 N252 L253 A257 K258 Q259 M270 G322 L323 V326	F174-F255 HydrophobicContact CB-CD1 4.01Å; F174-F255 HydrophobicContact CB-CE1 4.2Å; F174-F255 AromaticContact CD2-CD1 3.58Å; F174-F255 HydrophobicContact CD2-CD1 3.58Å; F174-F255 AromaticContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CG-CD1 4.28Å; F174-F255 HydrophobicContact CG-CE1 4.43Å; W177-F255 HydrophobicContact CD2-CE1 4.32Å; W177-F255 HydrophobicContact CD2-CZ 4.11Å; W177-F255 AromaticContact CE2-CZ 3.85Å; W177-F255 HydrophobicContact CE3-CE1 4.42Å; W177-F255 HydrophobicContact CE3-CZ 4.34Å; W177-F255 HydrophobicContact CH2-CZ 4.15Å; W177-F255 AromaticContact CZ2-CZ 3.85Å; W177-F255 HydrophobicContact CZ2-CZ 3.85Å; W177-F255 HydrophobicContact CZ3-CZ 4.38Å; I251-F255 HydrophobicContact CG2-CD1 4.29Å; I251-F255 HydrophobicContact CG2-CD2 4.05Å; I251-F255 HydrophobicContact CG2-CE1 3.78Å; I251-F255 HydrophobicContact CG2-CE2 3.51Å; I251-F255 HydrophobicContact CG2-CG 4.45Å; I251-F255 HydrophobicContact CG2-CZ 3.36Å; I251-F255 WeakPolarHBondContact O-CD1 3.31Å; I251-F255 WeakPolarHBondContact O-CG 3.25Å; I251-F255 PolarHBondContact O-N 3.28Å; N252-F255 WeakPolarHBondContact O-CB 3.45Å; N252-F255 PolarHBondContact O-N 3.45Å; N252-F255 VanDerWaalsContact O-N 3.16Å; L253-F255 VanDerWaalsContact C-N 3.32Å; L253-F255 PolarHBondContact O-N 3.29Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.42Å; F255-K258 PolarHBondContact O-N 3.42Å; F255-Q259 PolarHBondContact O-N 2.99Å; F255-M270 HydrophobicContact CB-CE 4.25Å; F255-G322 VanDerWaalsContact CD2-C 3.49Å; F255-L323 HydrophobicContact CD2-CB 4.27Å; F255-L323 VanDerWaalsContact CD2-N 3.3Å; F255-L323 HydrophobicContact CE1-CD1 4.32Å; F255-L323 HydrophobicContact CE2-CB 3.67Å; F255-L323 HydrophobicContact CE2-CD1 4.39Å; F255-L323 HydrophobicContact CZ-CB 4.08Å; F255-L323 HydrophobicContact CZ-CD1 4.01Å; F255-V326 HydrophobicContact CB-CG2 3.7Å; F255-V326 HydrophobicContact CG-CG2 4.17Å; F255-V326 WeakPolarHBondContact O-CG2 2.85Å
256	A	98.4	Very high	97.6	Very high	15 Å²	15	38.8 Å²	38.8	12%	0.124	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-42.8	173.6	0	0	0	0	0	111.7	N252 L253 K258 Q259 R260 V266 M270	N252-A256 PolarHBondContact O-N 3.43Å; L253-A256 PolarHBondContact O-N 2.92Å; A256-K258 VanDerWaalsContact C-N 3.31Å; A256-K258 PolarHBondContact O-N 2.9Å; A256-Q259 PolarHBondContact O-N 2.99Å; A256-R260 PolarHBondContact O-N 2.99Å; A256-V266 HydrophobicContact CB-CG1 4.31Å; A256-M270 HydrophobicContact CB-CG 3.84Å; A256-M270 HydrophobicContact CB-SD 4.31Å
257	A	98.3	Very high	97.7	Very high	22 Å²	22	38.9 Å²	38.9	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-41.5	173.8	0	0	0	0	0	111.7	P170 T171 L253 F255 R260 E261	P170-A257 HydrophobicContact CB-CB 3.84Å; T171-A257 HydrophobicContact CG2-CB 4.07Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.42Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.42Å; A257-R260 WeakPolarHBondContact O-CB 3.31Å; A257-R260 PolarHBondContact O-N 3.42Å; A257-E261 PolarHBondContact O-N 2.9Å
258	K	98.3	Very high	97.7	Very high	25 Å²	25	41.1 Å²	41.1	11%	0.109	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-41.4	177	-170	72.8	178.8	-177.9	0	112.3	T171 F174 D175 S254 F255 A256 R260 E261 L262 V326	T171-K258 HydrophobicContact CG2-CB 4.18Å; T171-K258 HydrophobicContact CG2-CD 3.99Å; F174-K258 HydrophobicContact CB-CB 4.14Å; F174-K258 HydrophobicContact CB-CG 4.32Å; F174-K258 HydrophobicContact CD1-CB 4.13Å; F174-K258 HydrophobicContact CD1-CD 3.46Å; F174-K258 VanDerWaalsContact CD1-CD 3.46Å; F174-K258 HydrophobicContact CD1-CG 3.39Å; F174-K258 HydrophobicContact CD2-CB 4.25Å; F174-K258 HydrophobicContact CD2-CG 4.11Å; F174-K258 HydrophobicContact CE1-CD 3.86Å; F174-K258 HydrophobicContact CE1-CG 3.6Å; F174-K258 HydrophobicContact CE2-CG 4.28Å; F174-K258 HydrophobicContact CG-CB 3.9Å; F174-K258 HydrophobicContact CG-CD 4.09Å; F174-K258 HydrophobicContact CG-CG 3.66Å; F174-K258 HydrophobicContact CZ-CG 4.03Å; D175-K258 IonicContact OD1-NZ 3.49Å; D175-K258 PolarHBondContact OD1-NZ 3.48Å; S254-K258 WeakPolarHBondContact O-CB 3.43Å; S254-K258 PolarHBondContact O-N 2.82Å; F255-K258 PolarHBondContact O-N 3.42Å; A256-K258 VanDerWaalsContact C-N 3.31Å; A256-K258 PolarHBondContact O-N 2.9Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 3.44Å; K258-E261 WeakPolarHBondContact CE-OE1 3.15Å; K258-E261 IonicContact NZ-OE1 2.77Å; K258-E261 PolarHBondContact NZ-OE1 2.97Å; K258-E261 WeakPolarHBondContact O-CB 3.3Å; K258-E261 PolarHBondContact O-N 3.08Å; K258-E261 VanDerWaalsContact O-N 3.12Å; K258-L262 HydrophobicContact CG-CD1 4Å; K258-L262 HydrophobicContact CG-CG 4.29Å; K258-L262 WeakPolarHBondContact O-CG 3.28Å; K258-L262 PolarHBondContact O-N 3.48Å; K258-V326 HydrophobicContact CB-CG1 4.16Å; K258-V326 HydrophobicContact CG-CG1 3.78Å
259	Q	98.2	Very high	97.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-42.2	175.2	-169	-174.8	64.4	0	0	110.5	F255 A256 L262 H263 T267 M270 L325	F255-Q259 PolarHBondContact O-N 2.99Å; A256-Q259 PolarHBondContact O-N 2.99Å; Q259-L262 PolarHBondContact O-N 3.4Å; Q259-H263 WeakPolarHBondContact O-CB 3.44Å; Q259-H263 PolarHBondContact O-CD2 2.89Å; Q259-H263 PolarHBondContact O-N 3.44Å; Q259-T267 PolarHBondContact NE2-OG1 2.77Å; Q259-T267 PolarHBondContact OE1-OG1 3.43Å; Q259-M270 HydrophobicContact CB-CE 4.05Å; Q259-M270 HydrophobicContact CG-CE 4.5Å; Q259-L325 PolarHBondContact NE2-O 3.15Å
260	R	97.7	Very high	97.7	Very high	161 Å²	161	40.6 Å²	40.6	61%	0.608	21%	0.212	S	C	*	.	H	α-helix	trans	-62.6	-41.3	174.3	-169.6	-179.2	175.4	-156.2	-2.1	112.6	A256 A257 K258 S264 V266	A256-R260 PolarHBondContact O-N 2.99Å; A257-R260 WeakPolarHBondContact O-CB 3.31Å; A257-R260 PolarHBondContact O-N 3.42Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 3.44Å; R260-S264 CarbonylContact O-C 3.58Å; R260-S264 WeakPolarHBondContact O-CA 3.33Å; R260-S264 PolarHBondContact O-N 3.41Å; R260-V266 HydrophobicContact CB-CG2 3.75Å; R260-V266 HydrophobicContact CG-CG2 4.32Å
261	E	97.7	Very high	97.8	Very high	109 Å²	109	43.5 Å²	43.5	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-44.9	177.5	-176.4	-176	90.5	0	0	111.8	T171 A257 K258	T171-E261 HydrophobicContact CG2-CB 4.46Å; A257-E261 PolarHBondContact O-N 2.9Å; K258-E261 WeakPolarHBondContact CE-OE1 3.15Å; K258-E261 IonicContact NZ-OE1 2.77Å; K258-E261 PolarHBondContact NZ-OE1 2.97Å; K258-E261 WeakPolarHBondContact O-CB 3.3Å; K258-E261 PolarHBondContact O-N 3.08Å; K258-E261 VanDerWaalsContact O-N 3.12Å
262	L	97.3	Very high	97.7	Very high	88 Å²	88	47.2 Å²	47.2	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-77	-38.7	-176.4	-66	176.4	0	0	0	113.2	K258 Q259 V326	K258-L262 HydrophobicContact CG-CD1 4Å; K258-L262 HydrophobicContact CG-CG 4.29Å; K258-L262 WeakPolarHBondContact O-CG 3.28Å; K258-L262 PolarHBondContact O-N 3.48Å; Q259-L262 PolarHBondContact O-N 3.4Å; L262-V326 HydrophobicContact CD1-CG1 3.81Å
263	H	96.8	Very high	97.7	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-114.5	5.1	-169.9	-53.7	-72	0	0	0	113.5	Q259 H265 V326	Q259-H263 WeakPolarHBondContact O-CB 3.44Å; Q259-H263 PolarHBondContact O-CD2 2.89Å; Q259-H263 PolarHBondContact O-N 3.44Å; H263-H265 PolarHBondContact O-N 3.26Å; H263-H265 PolarHBondContact O-ND1 2.96Å; H263-V326 PolarHBondContact NE2-O 3.28Å
264	S	95.4	Very high	97.7	Very high	111 Å²	111	47.9 Å²	47.9	78%	0.776	25%	0.254	S	S	*	.	S	Bend	trans	62	1.6	-176.4	-59	0	0	0	0	116.1	R260	R260-S264 CarbonylContact O-C 3.58Å; R260-S264 WeakPolarHBondContact O-CA 3.33Å; R260-S264 PolarHBondContact O-N 3.41Å
265	H	95.4	Very high	97.7	Very high	81 Å²	81	51.3 Å²	51.3	38%	0.375	28%	0.275	S	S	.	.	S	Bend	trans	-151.7	161.9	177.2	69.2	-74.3	0	0	0	111.1	H263 Q331	H263-H265 PolarHBondContact O-N 3.26Å; H263-H265 PolarHBondContact O-ND1 2.96Å; H265-Q331 PolarHBondContact CD2-NE2 3.07Å; H265-Q331 PolarHBondContact NE2-NE2 2.97Å
266	V	97.8	Very high	97.7	Very high	52 Å²	52	56 Å²	56	32%	0.315	30%	0.3	S	S	.	.			trans	-102.3	129.5	170.5	-173.9	0	0	0	0	108.1	A256 R260 M270 V271	A256-V266 HydrophobicContact CB-CG1 4.31Å; R260-V266 HydrophobicContact CB-CG2 3.75Å; R260-V266 HydrophobicContact CG-CG2 4.32Å; V266-M270 HydrophobicContact CG1-CB 3.84Å; V266-M270 HydrophobicContact CG1-CG 3.7Å; V266-V271 HydrophobicContact CG1-CG2 3.88Å
267	T	98	Very high	97.7	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	30%	0.299	C	S	.	.			trans	-73.5	153.7	-179.8	57.5	0	0	0	0	112.6	Q259 A269 M270 V271 P329 V330 Q331	Q259-T267 PolarHBondContact NE2-OG1 2.77Å; Q259-T267 PolarHBondContact OE1-OG1 3.43Å; T267-A269 PolarHBondContact O-N 2.99Å; T267-M270 PolarHBondContact O-N 3.47Å; T267-M270 VanDerWaalsContact O-N 3.17Å; T267-M270 WeakPolarHBondContact OG1-CB 3.26Å; T267-M270 PolarHBondContact OG1-N 3.08Å; T267-V271 WeakPolarHBondContact O-CG2 3.27Å; T267-V271 PolarHBondContact O-N 3.1Å; T267-V271 VanDerWaalsContact O-N 3.07Å; T267-P329 HydrophobicContact CG2-CB 3.7Å; T267-V330 VanDerWaalsContact CB-O 3.24Å; T267-V330 WeakPolarHBondContact CB-O 3.49Å; T267-Q331 HydrophobicContact CG2-CG 4.34Å
268	N	97.3	Very high	97.7	Very high	59 Å²	59	56.7 Å²	56.7	32%	0.316	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-32.8	176.8	65.1	3.7	0	0	0	112.4	V271 L272 Q331 L332	N268-V271 PolarHBondContact O-N 2.95Å; N268-L272 WeakPolarHBondContact O-CB 3.48Å; N268-L272 PolarHBondContact O-N 2.86Å; N268-Q331 VanDerWaalsContact CG-OE1 3.23Å; N268-Q331 WeakPolarHBondContact OD1-CA 3.42Å; N268-Q331 PolarHBondContact OD1-OE1 3.17Å; N268-L332 PolarHBondContact ND2-N 3.49Å; N268-L332 PolarHBondContact ND2-O 3.28Å; N268-L332 PolarHBondContact OD1-N 3.45Å
269	A	97.9	Very high	97.7	Very high	10 Å²	10	60.5 Å²	60.5	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-44.6	174.3	0	0	0	0	0	111.5	T267 L272 V273 L325 V330 L332	T267-A269 PolarHBondContact O-N 2.99Å; A269-L272 PolarHBondContact O-N 2.93Å; A269-V273 WeakPolarHBondContact O-CG2 2.84Å; A269-V273 PolarHBondContact O-N 3.45Å; A269-L325 HydrophobicContact CB-CD1 4.04Å; A269-L325 HydrophobicContact CB-CD2 3.91Å; A269-V330 HydrophobicContact CB-CB 4.3Å; A269-V330 HydrophobicContact CB-CG1 4.49Å; A269-V330 VanDerWaalsContact CB-O 3.25Å; A269-V330 WeakPolarHBondContact CB-O 3.07Å; A269-L332 HydrophobicContact CB-CD1 4.23Å; A269-L332 HydrophobicContact CB-CG 4.09Å
270	M	98.4	Very high	97.7	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-42.7	177.7	178.7	65.9	84.6	0	0	111.3	F255 A256 Q259 V266 T267 L272 V273 N274 G322 L325 V326	F255-M270 HydrophobicContact CB-CE 4.25Å; A256-M270 HydrophobicContact CB-CG 3.84Å; A256-M270 HydrophobicContact CB-SD 4.31Å; Q259-M270 HydrophobicContact CB-CE 4.05Å; Q259-M270 HydrophobicContact CG-CE 4.5Å; V266-M270 HydrophobicContact CG1-CB 3.84Å; V266-M270 HydrophobicContact CG1-CG 3.7Å; T267-M270 PolarHBondContact O-N 3.47Å; T267-M270 VanDerWaalsContact O-N 3.17Å; T267-M270 WeakPolarHBondContact OG1-CB 3.26Å; T267-M270 PolarHBondContact OG1-N 3.08Å; M270-L272 VanDerWaalsContact C-N 3.34Å; M270-L272 PolarHBondContact O-N 3.49Å; M270-V273 PolarHBondContact O-N 2.65Å; M270-N274 WeakPolarHBondContact O-CB 3.17Å; M270-N274 PolarHBondContact O-N 2.94Å; M270-N274 PolarHBondContact O-ND2 3.31Å; M270-N274 PolarHBondContact SD-ND2 3.45Å; M270-N274 VanDerWaalsContact SD-ND2 3.38Å; M270-G322 WeakPolarHBondContact CE-O 3.46Å; M270-L325 HydrophobicContact CB-CD1 4.31Å; M270-L325 HydrophobicContact CE-CB 3.62Å; M270-L325 HydrophobicContact SD-CB 4.34Å; M270-V326 HydrophobicContact CE-CG2 3.9Å
271	V	98.2	Very high	97.7	Very high	73 Å²	73	59.3 Å²	59.3	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-46.3	174.6	174.9	0	0	0	0	110.5	V266 T267 N268 V273 N274 V275	V266-V271 HydrophobicContact CG1-CG2 3.88Å; T267-V271 WeakPolarHBondContact O-CG2 3.27Å; T267-V271 PolarHBondContact O-N 3.1Å; T267-V271 VanDerWaalsContact O-N 3.07Å; N268-V271 PolarHBondContact O-N 2.95Å; V271-V273 PolarHBondContact O-N 3.3Å; V271-N274 PolarHBondContact O-N 3.42Å; V271-V275 HydrophobicContact CG1-CG2 4.17Å; V271-V275 WeakPolarHBondContact O-CB 3.27Å; V271-V275 VanDerWaalsContact O-CG2 3.32Å; V271-V275 WeakPolarHBondContact O-CG2 3.2Å; V271-V275 PolarHBondContact O-N 3.42Å
272	L	97.8	Very high	97.7	Very high	86 Å²	86	57 Å²	57	45%	0.45	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-46.5	-179.8	-175.1	64.2	0	0	0	112	N268 A269 M270 N274 V275 L276 L332	N268-L272 WeakPolarHBondContact O-CB 3.48Å; N268-L272 PolarHBondContact O-N 2.86Å; A269-L272 PolarHBondContact O-N 2.93Å; M270-L272 VanDerWaalsContact C-N 3.34Å; M270-L272 PolarHBondContact O-N 3.49Å; L272-N274 PolarHBondContact O-N 3.22Å; L272-V275 PolarHBondContact O-N 2.77Å; L272-L276 HydrophobicContact CD1-CD1 3.79Å; L272-L276 HydrophobicContact CD1-CG 3.95Å; L272-L276 HydrophobicContact CD2-CD1 4.48Å; L272-L276 HydrophobicContact CG-CD1 3.79Å; L272-L276 HydrophobicContact CG-CG 4.29Å; L272-L276 WeakPolarHBondContact O-CB 3.24Å; L272-L276 VanDerWaalsContact O-CG 3.29Å; L272-L276 WeakPolarHBondContact O-CG 3.24Å; L272-L276 PolarHBondContact O-N 2.9Å; L272-L332 HydrophobicContact CD2-CD1 4.1Å
273	V	98.1	Very high	97.7	Very high	28 Å²	28	57.3 Å²	57.3	17%	0.17	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-48.2	175.9	170.1	0	0	0	0	110.7	A269 M270 V271 V275 Q277 Q321 L325	A269-V273 WeakPolarHBondContact O-CG2 2.84Å; A269-V273 PolarHBondContact O-N 3.45Å; M270-V273 PolarHBondContact O-N 2.65Å; V271-V273 PolarHBondContact O-N 3.3Å; V273-V275 PolarHBondContact O-N 2.55Å; V273-Q277 HydrophobicContact CG1-CG 4.45Å; V273-Q277 VanDerWaalsContact O-CB 3.3Å; V273-Q277 WeakPolarHBondContact O-CB 3.44Å; V273-Q277 VanDerWaalsContact O-CG 3.29Å; V273-Q277 WeakPolarHBondContact O-CG 3.35Å; V273-Q277 PolarHBondContact O-N 3.45Å; V273-Q321 HydrophobicContact CG1-CB 4.09Å; V273-Q321 HydrophobicContact CG2-CB 4.19Å; V273-L325 HydrophobicContact CB-CD1 4.45Å; V273-L325 HydrophobicContact CG2-CD1 3.81Å
274	N	98.2	Very high	97.6	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-46.3	179.7	-86.7	-102.4	0	0	0	111.9	N252 L253 M270 V271 L272 A278	N252-N274 VanDerWaalsContact CB-OD1 3.23Å; N252-N274 WeakPolarHBondContact CB-OD1 3.44Å; N252-N274 PolarHBondContact O-OD1 3.1Å; L253-N274 PolarHBondContact N-OD1 3.49Å; M270-N274 WeakPolarHBondContact O-CB 3.17Å; M270-N274 PolarHBondContact O-N 2.94Å; M270-N274 PolarHBondContact O-ND2 3.31Å; M270-N274 PolarHBondContact SD-ND2 3.45Å; M270-N274 VanDerWaalsContact SD-ND2 3.38Å; V271-N274 PolarHBondContact O-N 3.42Å; L272-N274 PolarHBondContact O-N 3.22Å; N274-A278 WeakPolarHBondContact O-CB 3.49Å; N274-A278 PolarHBondContact O-N 3.11Å
275	V	98.3	Very high	97.7	Very high	73 Å²	73	50.5 Å²	50.5	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-48.1	-178.3	170	0	0	0	0	111.3	V271 L272 V273 Q277 A278 I279	V271-V275 HydrophobicContact CG1-CG2 4.17Å; V271-V275 WeakPolarHBondContact O-CB 3.27Å; V271-V275 VanDerWaalsContact O-CG2 3.32Å; V271-V275 WeakPolarHBondContact O-CG2 3.2Å; V271-V275 PolarHBondContact O-N 3.42Å; L272-V275 PolarHBondContact O-N 2.77Å; V273-V275 PolarHBondContact O-N 2.55Å; V275-Q277 PolarHBondContact O-N 2.81Å; V275-A278 PolarHBondContact O-N 3.15Å; V275-I279 HydrophobicContact CG1-CD1 3.88Å; V275-I279 VanDerWaalsContact O-CG1 3.31Å; V275-I279 WeakPolarHBondContact O-CG1 3.24Å; V275-I279 PolarHBondContact O-N 3.35Å
276	L	98.4	Very high	97.8	Very high	99 Å²	99	50.9 Å²	50.9	52%	0.518	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-42.6	-179	-68.9	176.8	0	0	0	111.7	L272 I279 Y280	L272-L276 HydrophobicContact CD1-CD1 3.79Å; L272-L276 HydrophobicContact CD1-CG 3.95Å; L272-L276 HydrophobicContact CD2-CD1 4.48Å; L272-L276 HydrophobicContact CG-CD1 3.79Å; L272-L276 HydrophobicContact CG-CG 4.29Å; L272-L276 WeakPolarHBondContact O-CB 3.24Å; L272-L276 VanDerWaalsContact O-CG 3.29Å; L272-L276 WeakPolarHBondContact O-CG 3.24Å; L272-L276 PolarHBondContact O-N 2.9Å; L276-I279 PolarHBondContact O-N 2.93Å; L276-Y280 PolarHBondContact O-N 2.77Å; L276-Y280 VanDerWaalsContact O-N 3.07Å
277	Q	98.4	Very high	97.7	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-70.2	-34.6	176.7	-66.7	-174.2	-12.5	0	0	111.7	W248 N252 V273 V275 Y280 V281 Y318	W248-Q277 HydrophobicContact CZ2-CB 4.01Å; W248-Q277 HydrophobicContact CZ2-CG 3.79Å; N252-Q277 PolarHBondContact ND2-OE1 3.36Å; N252-Q277 PolarHBondContact OD1-OE1 3.09Å; V273-Q277 HydrophobicContact CG1-CG 4.45Å; V273-Q277 VanDerWaalsContact O-CB 3.3Å; V273-Q277 WeakPolarHBondContact O-CB 3.44Å; V273-Q277 VanDerWaalsContact O-CG 3.29Å; V273-Q277 WeakPolarHBondContact O-CG 3.35Å; V273-Q277 PolarHBondContact O-N 3.45Å; V275-Q277 PolarHBondContact O-N 2.81Å; Q277-Y280 WeakPolarHBondContact O-CB 3.23Å; Q277-Y280 PolarHBondContact O-N 2.89Å; Q277-V281 WeakPolarHBondContact O-CG2 3.48Å; Q277-V281 PolarHBondContact O-N 3.26Å; Q277-Y318 PolarHBondContact NE2-O 2.85Å
278	A	98	Very high	97.6	Very high	25 Å²	25	50.8 Å²	50.8	21%	0.207	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-42.2	172.7	0	0	0	0	0	112.2	T249 N274 V275 Y280 V281 I282	T249-A278 HydrophobicContact CG2-CB 4.27Å; N274-A278 WeakPolarHBondContact O-CB 3.49Å; N274-A278 PolarHBondContact O-N 3.11Å; V275-A278 PolarHBondContact O-N 3.15Å; A278-Y280 VanDerWaalsContact C-N 3.31Å; A278-Y280 PolarHBondContact O-N 3.45Å; A278-V281 PolarHBondContact O-N 3.04Å; A278-I282 WeakPolarHBondContact O-CB 3.18Å; A278-I282 WeakPolarHBondContact O-CD1 3.15Å; A278-I282 WeakPolarHBondContact O-CG1 3.34Å; A278-I282 PolarHBondContact O-N 2.99Å
279	I	98.4	Very high	97.5	Very high	106 Å²	106	48.8 Å²	48.8	54%	0.544	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-46.8	173.9	-70.5	165.1	0	0	0	110	V275 L276 V281 I282 D283	V275-I279 HydrophobicContact CG1-CD1 3.88Å; V275-I279 VanDerWaalsContact O-CG1 3.31Å; V275-I279 WeakPolarHBondContact O-CG1 3.24Å; V275-I279 PolarHBondContact O-N 3.35Å; L276-I279 PolarHBondContact O-N 2.93Å; I279-V281 PolarHBondContact O-N 3.39Å; I279-I282 PolarHBondContact O-N 2.82Å; I279-D283 WeakPolarHBondContact O-CB 3.24Å; I279-D283 PolarHBondContact O-N 2.93Å
280	Y	97.9	Very high	97.2	Very high	136 Å²	136	56.1 Å²	56.1	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-58.7	-48	177.4	-178.9	-86.1	0	0	0	112.3	W248 L276 Q277 A278 D283 F284	W248-Y280 AromaticContact CH2-CD1 3.73Å; W248-Y280 HydrophobicContact CH2-CD1 3.73Å; W248-Y280 AromaticContact CH2-CE1 4Å; W248-Y280 HydrophobicContact CH2-CE1 4Å; W248-Y280 AromaticContact CZ3-CD1 3.61Å; W248-Y280 HydrophobicContact CZ3-CD1 3.61Å; W248-Y280 AromaticContact CZ3-CE1 3.71Å; W248-Y280 HydrophobicContact CZ3-CE1 3.71Å; L276-Y280 PolarHBondContact O-N 2.77Å; L276-Y280 VanDerWaalsContact O-N 3.07Å; Q277-Y280 WeakPolarHBondContact O-CB 3.23Å; Q277-Y280 PolarHBondContact O-N 2.89Å; A278-Y280 VanDerWaalsContact C-N 3.31Å; A278-Y280 PolarHBondContact O-N 3.45Å; Y280-D283 PolarHBondContact O-N 3.22Å; Y280-F284 PolarHBondContact O-N 3.49Å
281	V	97.8	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-38.7	-179.2	168.2	0	0	0	0	112.1	I245 W248 T249 Q277 A278 I279 F284 F285	I245-V281 HydrophobicContact CG2-CB 4.38Å; I245-V281 HydrophobicContact CG2-CG1 3.68Å; I245-V281 HydrophobicContact CG2-CG2 4.06Å; W248-V281 HydrophobicContact CD2-CG2 3.94Å; W248-V281 HydrophobicContact CE3-CG2 3.44Å; W248-V281 VanDerWaalsContact CE3-CG2 3.44Å; W248-V281 HydrophobicContact CG-CG2 4.49Å; W248-V281 HydrophobicContact CZ3-CG2 3.82Å; T249-V281 HydrophobicContact CG2-CB 3.85Å; T249-V281 HydrophobicContact CG2-CG1 3.98Å; T249-V281 HydrophobicContact CG2-CG2 3.93Å; Q277-V281 WeakPolarHBondContact O-CG2 3.48Å; Q277-V281 PolarHBondContact O-N 3.26Å; A278-V281 PolarHBondContact O-N 3.04Å; I279-V281 PolarHBondContact O-N 3.39Å; V281-F284 WeakPolarHBondContact O-CB 3.2Å; V281-F284 PolarHBondContact O-N 3.31Å; V281-F285 HydrophobicContact CG1-CD2 3.77Å; V281-F285 HydrophobicContact CG1-CE2 3.55Å; V281-F285 VanDerWaalsContact O-CD2 3.23Å; V281-F285 WeakPolarHBondContact O-CD2 3.46Å; V281-F285 PolarHBondContact O-N 3.44Å
282	I	97.4	Very high	96.8	Very high	61 Å²	61	54 Å²	54	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-41.1	176.1	-68.2	165.8	0	0	0	110.3	W151 A278 I279 F284 F285 W286	W151-I282 HydrophobicContact CE3-CG1 4.41Å; W151-I282 HydrophobicContact CH2-CD1 3.62Å; W151-I282 HydrophobicContact CH2-CG1 3.77Å; W151-I282 HydrophobicContact CZ2-CD1 4.11Å; W151-I282 HydrophobicContact CZ2-CG1 3.92Å; W151-I282 HydrophobicContact CZ3-CD1 4.07Å; W151-I282 HydrophobicContact CZ3-CG1 4.01Å; A278-I282 WeakPolarHBondContact O-CB 3.18Å; A278-I282 WeakPolarHBondContact O-CD1 3.15Å; A278-I282 WeakPolarHBondContact O-CG1 3.34Å; A278-I282 PolarHBondContact O-N 2.99Å; I279-I282 PolarHBondContact O-N 2.82Å; I282-F284 VanDerWaalsContact C-N 3.33Å; I282-F284 PolarHBondContact O-N 3.48Å; I282-F285 PolarHBondContact O-N 2.89Å; I282-W286 WeakPolarHBondContact O-CB 3.34Å; I282-W286 PolarHBondContact O-N 3.36Å
283	D	97	Very high	96.5	Very high	94 Å²	94	56.7 Å²	56.7	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-43.1	174.7	-178	72.3	0	0	0	111.6	I279 Y280 F285 W286 N287	I279-D283 WeakPolarHBondContact O-CB 3.24Å; I279-D283 PolarHBondContact O-N 2.93Å; Y280-D283 PolarHBondContact O-N 3.22Å; D283-F285 PolarHBondContact O-N 3.41Å; D283-W286 PolarHBondContact O-N 2.77Å; D283-N287 WeakPolarHBondContact O-CB 3.42Å; D283-N287 PolarHBondContact O-N 3.36Å; D283-N287 PolarHBondContact O-ND2 3.46Å; D283-N287 PolarHBondContact OD1-ND2 2.85Å; D283-N287 VanDerWaalsContact OD1-ND2 3.08Å
284	F	96.4	Very high	96.2	Very high	29 Å²	29	57.5 Å²	57.5	13%	0.127	27%	0.274	C	S	.	.	H	α-helix	trans	-55.8	-49.3	172.3	170.8	-91.5	0	0	0	111.8	I245 Y280 V281 I282 N287 E288 Y291	I245-F284 HydrophobicContact CD1-CD1 3.97Å; I245-F284 HydrophobicContact CD1-CD2 4.24Å; I245-F284 HydrophobicContact CD1-CE1 3.59Å; I245-F284 HydrophobicContact CD1-CE2 3.86Å; I245-F284 HydrophobicContact CD1-CG 4.29Å; I245-F284 HydrophobicContact CD1-CZ 3.53Å; I245-F284 HydrophobicContact CG2-CD1 3.98Å; I245-F284 HydrophobicContact CG2-CE1 4.27Å; Y280-F284 PolarHBondContact O-N 3.49Å; V281-F284 WeakPolarHBondContact O-CB 3.2Å; V281-F284 PolarHBondContact O-N 3.31Å; I282-F284 VanDerWaalsContact C-N 3.33Å; I282-F284 PolarHBondContact O-N 3.48Å; F284-N287 CarbonylContact O-C 3.58Å; F284-N287 VanDerWaalsContact O-C 3.25Å; F284-N287 PolarHBondContact O-N 3.38Å; F284-E288 WeakPolarHBondContact O-CA 3.22Å; F284-E288 PolarHBondContact O-N 3.07Å; F284-Y291 HydrophobicContact CD2-CD2 4.42Å; F284-Y291 AromaticContact CE2-CD2 3.52Å; F284-Y291 HydrophobicContact CE2-CD2 3.52Å; F284-Y291 AromaticContact CE2-CE2 3.95Å; F284-Y291 HydrophobicContact CE2-CE2 3.95Å; F284-Y291 AromaticContact CE2-CG 3.86Å; F284-Y291 HydrophobicContact CE2-CG 3.86Å; F284-Y291 HydrophobicContact CZ-CD2 4.28Å; F284-Y291 HydrophobicContact CZ-CG 4.22Å
285	F	96.9	Very high	95.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-72.4	-32	-179	-75.8	-55.8	0	0	0	113.7	Y125 L148 W151 G241 I245 V246 V281 I282 D283 N287 E288	Y125-F285 WeakPolarHBondContact CE2-O 3.41Å; L148-F285 HydrophobicContact CB-CB 4.1Å; L148-F285 HydrophobicContact CD1-CB 4.14Å; W151-F285 HydrophobicContact CB-CD2 3.87Å; W151-F285 HydrophobicContact CB-CE2 3.97Å; W151-F285 HydrophobicContact CB-CG 4.48Å; W151-F285 AromaticContact CD1-CD2 3.77Å; W151-F285 AromaticContact CD1-CE2 3.45Å; W151-F285 VanDerWaalsContact CD1-CE2 3.45Å; W151-F285 AromaticContact CG-CD2 3.87Å; W151-F285 HydrophobicContact CG-CD2 3.87Å; W151-F285 AromaticContact CG-CE2 3.92Å; W151-F285 HydrophobicContact CG-CE2 3.92Å; G241-F285 WeakPolarHBondContact O-CZ 3.3Å; I245-F285 HydrophobicContact CB-CZ 4.2Å; I245-F285 HydrophobicContact CG2-CE2 3.67Å; I245-F285 HydrophobicContact CG2-CZ 3.68Å; V246-F285 HydrophobicContact CG2-CE1 4.33Å; V246-F285 HydrophobicContact CG2-CE2 3.96Å; V246-F285 HydrophobicContact CG2-CZ 3.46Å; V246-F285 VanDerWaalsContact CG2-CZ 3.46Å; V281-F285 HydrophobicContact CG1-CD2 3.77Å; V281-F285 HydrophobicContact CG1-CE2 3.55Å; V281-F285 VanDerWaalsContact O-CD2 3.23Å; V281-F285 WeakPolarHBondContact O-CD2 3.46Å; V281-F285 PolarHBondContact O-N 3.44Å; I282-F285 PolarHBondContact O-N 2.89Å; D283-F285 PolarHBondContact O-N 3.41Å; F285-N287 PolarHBondContact O-N 3.42Å; F285-E288 WeakPolarHBondContact O-CB 3.34Å; F285-E288 PolarHBondContact O-N 2.79Å
286	W	96.5	Very high	95.5	Very high	90 Å²	90	59.6 Å²	59.6	34%	0.341	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-36.8	171.6	-171.5	-84.5	0	0	0	111	L122 Y125 L148 I282 D283	L122-W286 HydrophobicContact CB-CH2 4.09Å; L122-W286 HydrophobicContact CB-CZ3 4.47Å; L122-W286 HydrophobicContact CD1-CH2 4.36Å; L122-W286 HydrophobicContact CD1-CZ3 3.91Å; Y125-W286 HydrophobicContact CD2-CD2 4.2Å; Y125-W286 HydrophobicContact CD2-CE3 4.44Å; Y125-W286 HydrophobicContact CD2-CG 4.35Å; Y125-W286 VanDerWaalsContact CD2-O 3.24Å; Y125-W286 WeakPolarHBondContact CD2-O 3.45Å; Y125-W286 WeakPolarHBondContact CE2-O 3.35Å; L148-W286 HydrophobicContact CD2-CE3 3.77Å; L148-W286 HydrophobicContact CD2-CZ3 4.21Å; I282-W286 WeakPolarHBondContact O-CB 3.34Å; I282-W286 PolarHBondContact O-N 3.36Å; D283-W286 PolarHBondContact O-N 2.77Å
287	N	95.7	Very high	95.2	Very high	51 Å²	51	55 Å²	55	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	21.4	-179.8	-63.9	-64.6	0	0	0	113.3	D283 F284 F285 T289 W290	D283-N287 WeakPolarHBondContact O-CB 3.42Å; D283-N287 PolarHBondContact O-N 3.36Å; D283-N287 PolarHBondContact O-ND2 3.46Å; D283-N287 PolarHBondContact OD1-ND2 2.85Å; D283-N287 VanDerWaalsContact OD1-ND2 3.08Å; F284-N287 CarbonylContact O-C 3.58Å; F284-N287 VanDerWaalsContact O-C 3.25Å; F284-N287 PolarHBondContact O-N 3.38Å; F285-N287 PolarHBondContact O-N 3.42Å; N287-T289 PolarHBondContact O-N 2.8Å; N287-W290 HydrophobicContact CB-CG 4.47Å; N287-W290 VanDerWaalsContact O-CB 3.3Å; N287-W290 WeakPolarHBondContact O-CB 3.22Å; N287-W290 PolarHBondContact O-N 3.4Å
288	E	96.1	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.4	-33.5	-173.3	-176.7	-178.7	-153.6	0	0	112.4	I145 G147 R242 F284 F285 W290 Y291	I145-E288 HydrophobicContact CD1-CG 4.36Å; I145-E288 HydrophobicContact CG2-CB 3.8Å; I145-E288 HydrophobicContact CG2-CG 3.92Å; I145-E288 VanDerWaalsContact CG2-OE2 3.24Å; I145-E288 WeakPolarHBondContact CG2-OE2 3.37Å; G147-E288 WeakPolarHBondContact CA-OE2 3.33Å; G147-E288 PolarHBondContact N-OE2 2.73Å; R242-E288 IonicContact CZ-OE1 2.89Å; R242-E288 IonicContact NH1-OE1 3.17Å; R242-E288 PolarHBondContact NH1-OE1 2.94Å; R242-E288 IonicContact NH2-OE1 2.77Å; R242-E288 PolarHBondContact NH2-OE1 3.49Å; R242-E288 IonicContact NH2-OE2 2.67Å; R242-E288 PolarHBondContact NH2-OE2 3.39Å; F284-E288 WeakPolarHBondContact O-CA 3.22Å; F284-E288 PolarHBondContact O-N 3.07Å; F285-E288 WeakPolarHBondContact O-CB 3.34Å; F285-E288 PolarHBondContact O-N 2.79Å; E288-W290 VanDerWaalsContact C-N 3.27Å; E288-W290 PolarHBondContact O-N 2.91Å; E288-Y291 WeakPolarHBondContact O-CB 3.4Å; E288-Y291 PolarHBondContact O-N 3.26Å
289	T	94.9	Very high	94.3	Very high	16 Å²	16	56.9 Å²	56.9	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-34.6	174.8	-65.1	0	0	0	0	113.1	V126 Q130 N287 Y291 L292	V126-T289 HydrophobicContact CG1-CG2 3.88Å; V126-T289 PolarHBondContact O-OG1 2.99Å; Q130-T289 HydrophobicContact CB-CG2 4.2Å; Q130-T289 HydrophobicContact CG-CG2 3.95Å; N287-T289 PolarHBondContact O-N 2.8Å; T289-Y291 PolarHBondContact O-N 2.88Å; T289-L292 WeakPolarHBondContact O-CB 3.36Å; T289-L292 PolarHBondContact O-N 3.11Å
290	W	92.8	Very high	94	Very high	165 Å²	165	53.2 Å²	53.2	63%	0.625	25%	0.245	S	C	*	.	H	α-helix	trans	-66.8	-29.4	175.9	-66.2	87.2	0	0	0	111.8	N287 E288 L292 K293	N287-W290 HydrophobicContact CB-CG 4.47Å; N287-W290 VanDerWaalsContact O-CB 3.3Å; N287-W290 WeakPolarHBondContact O-CB 3.22Å; N287-W290 PolarHBondContact O-N 3.4Å; E288-W290 VanDerWaalsContact C-N 3.27Å; E288-W290 PolarHBondContact O-N 2.91Å; W290-L292 PolarHBondContact O-N 3.14Å; W290-K293 WeakPolarHBondContact O-CB 3.26Å; W290-K293 PolarHBondContact O-N 2.88Å
291	Y	92.8	Very high	93.8	Very high	28 Å²	28	47 Å²	47	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-28.3	177.5	-165.8	-99.7	0	0	0	112.3	L237 N240 F284 E288 T289 K293 T294 D296 I297	L237-Y291 HydrophobicContact CD1-CD1 4.34Å; N240-Y291 HydrophobicContact CB-CE1 4.21Å; N240-Y291 VanDerWaalsContact CG-CZ 3.47Å; N240-Y291 PolarHBondContact ND2-OH 2.98Å; N240-Y291 VanDerWaalsContact OD1-CE1 3.24Å; N240-Y291 WeakPolarHBondContact OD1-CE1 3.41Å; N240-Y291 PolarHBondContact OD1-OH 2.91Å; F284-Y291 HydrophobicContact CD2-CD2 4.42Å; F284-Y291 AromaticContact CE2-CD2 3.52Å; F284-Y291 HydrophobicContact CE2-CD2 3.52Å; F284-Y291 AromaticContact CE2-CE2 3.95Å; F284-Y291 HydrophobicContact CE2-CE2 3.95Å; F284-Y291 AromaticContact CE2-CG 3.86Å; F284-Y291 HydrophobicContact CE2-CG 3.86Å; F284-Y291 HydrophobicContact CZ-CD2 4.28Å; F284-Y291 HydrophobicContact CZ-CG 4.22Å; E288-Y291 WeakPolarHBondContact O-CB 3.4Å; E288-Y291 PolarHBondContact O-N 3.26Å; T289-Y291 PolarHBondContact O-N 2.88Å; Y291-K293 PolarHBondContact O-N 2.97Å; Y291-T294 HydrophobicContact CD2-CG2 3.74Å; Y291-T294 HydrophobicContact CE2-CG2 4.13Å; Y291-T294 HydrophobicContact CG-CG2 4.28Å; Y291-T294 WeakPolarHBondContact O-CB 3.36Å; Y291-T294 WeakPolarHBondContact O-CG2 3.12Å; Y291-T294 PolarHBondContact O-N 3.25Å; Y291-T294 PolarHBondContact O-OG1 3.3Å; Y291-D296 WeakPolarHBondContact OH-CB 3.34Å; Y291-D296 PolarHBondContact OH-OD2 3.44Å; Y291-I297 HydrophobicContact CD1-CD1 4.5Å; Y291-I297 HydrophobicContact CD1-CG1 3.97Å; Y291-I297 HydrophobicContact CE1-CD1 4.21Å; Y291-I297 HydrophobicContact CE1-CG1 3.9Å
292	L	94.1	Very high	93.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.6	173.2	-60.4	-175.7	0	0	0	114.4	Q130 Y143 I145 L237 T289 W290 I297 C298	Q130-L292 HydrophobicContact CB-CD1 4.05Å; Y143-L292 HydrophobicContact CD1-CD2 3.82Å; Y143-L292 HydrophobicContact CD2-CD1 3.88Å; Y143-L292 HydrophobicContact CD2-CD2 3.84Å; Y143-L292 HydrophobicContact CD2-CG 4.48Å; Y143-L292 HydrophobicContact CE1-CD2 4.08Å; Y143-L292 HydrophobicContact CE2-CD2 4.17Å; Y143-L292 HydrophobicContact CG-CD1 4.13Å; Y143-L292 HydrophobicContact CG-CD2 3.66Å; I145-L292 HydrophobicContact CD1-CD1 4.06Å; I145-L292 HydrophobicContact CD1-CD2 4.23Å; I145-L292 HydrophobicContact CD1-CG 4.24Å; I145-L292 HydrophobicContact CG1-CD1 4.48Å; L237-L292 HydrophobicContact CD1-CD2 4.24Å; L237-L292 HydrophobicContact CD2-CD2 4.18Å; T289-L292 WeakPolarHBondContact O-CB 3.36Å; T289-L292 PolarHBondContact O-N 3.11Å; W290-L292 PolarHBondContact O-N 3.14Å; L292-I297 WeakPolarHBondContact O-CG2 3.25Å; L292-C298 PolarHBondContact O-SG 3.05Å
293	K	91.8	Very high	93.7	Very high	142 Å²	142	44.2 Å²	44.2	62%	0.617	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	3.8	-179.7	-57.2	178.1	-176.7	173.4	0	113	W290 Y291 C298	W290-K293 WeakPolarHBondContact O-CB 3.26Å; W290-K293 PolarHBondContact O-N 2.88Å; Y291-K293 PolarHBondContact O-N 2.97Å; K293-C298 VanDerWaalsContact C-SG 3.57Å; K293-C298 WeakPolarHBondContact CA-SG 3.13Å
294	T	92.5	Very high	93.8	Very high	44 Å²	44	40 Å²	40	27%	0.27	18%	0.184	S	C	.	.	S	Bend	trans	-82.1	169.1	-177.6	62.3	0	0	0	0	112.3	Y291 D296 I297 C298	Y291-T294 HydrophobicContact CD2-CG2 3.74Å; Y291-T294 HydrophobicContact CE2-CG2 4.13Å; Y291-T294 HydrophobicContact CG-CG2 4.28Å; Y291-T294 WeakPolarHBondContact O-CB 3.36Å; Y291-T294 WeakPolarHBondContact O-CG2 3.12Å; Y291-T294 PolarHBondContact O-N 3.25Å; Y291-T294 PolarHBondContact O-OG1 3.3Å; T294-D296 VanDerWaalsContact C-N 3.28Å; T294-D296 PolarHBondContact O-N 3.28Å; T294-I297 PolarHBondContact O-N 2.87Å; T294-C298 WeakPolarHBondContact O-CB 3.16Å; T294-C298 PolarHBondContact O-N 3.47Å
295	I	91.1	Very high	93.7	Very high	102 Å²	102	44.5 Å²	44.5	52%	0.523	20%	0.201	S	C	.	.	H	α-helix	trans	-58.2	-39.6	179.4	-166.2	166.2	0	0	0	112.5	I297 C298 H299 D300	I295-I297 PolarHBondContact O-N 3.24Å; I295-C298 PolarHBondContact O-N 2.93Å; I295-H299 HydrophobicContact CG1-CB 3.89Å; I295-H299 WeakPolarHBondContact O-CA 3.11Å; I295-H299 WeakPolarHBondContact O-CB 3.41Å; I295-H299 PolarHBondContact O-N 2.59Å; I295-D300 PolarHBondContact O-N 3.43Å
296	D	91.3	Very high	93.7	Very high	37 Å²	37	45 Å²	45	20%	0.198	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-44.7	-176.6	-56.6	-25.8	0	0	0	111.3	K236 Y291 T294 L306	K236-D296 VanDerWaalsContact CD-O 3.24Å; K236-D296 WeakPolarHBondContact CD-O 3.29Å; K236-D296 VanDerWaalsContact CE-O 3.27Å; K236-D296 WeakPolarHBondContact CE-O 3.43Å; K236-D296 PolarHBondContact NZ-O 2.9Å; Y291-D296 WeakPolarHBondContact OH-CB 3.34Å; Y291-D296 PolarHBondContact OH-OD2 3.44Å; T294-D296 VanDerWaalsContact C-N 3.28Å; T294-D296 PolarHBondContact O-N 3.28Å; D296-L306 HydrophobicContact CB-CD2 4.36Å
297	I	90.9	Very high	93.6	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-79.9	-44	178.3	-59.4	-61.4	0	0	0	111.4	F225 K236 Y291 L292 T294 I295	F225-I297 WeakPolarHBondContact CZ-O 3.32Å; K236-I297 HydrophobicContact CB-CD1 3.56Å; K236-I297 HydrophobicContact CD-CD1 4.07Å; K236-I297 PolarHBondContact NZ-O 3.35Å; Y291-I297 HydrophobicContact CD1-CD1 4.5Å; Y291-I297 HydrophobicContact CD1-CG1 3.97Å; Y291-I297 HydrophobicContact CE1-CD1 4.21Å; Y291-I297 HydrophobicContact CE1-CG1 3.9Å; L292-I297 WeakPolarHBondContact O-CG2 3.25Å; T294-I297 PolarHBondContact O-N 2.87Å; I295-I297 PolarHBondContact O-N 3.24Å
298	C	90	Very high	93.7	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.068	18%	0.175	C	C	.	.	H	α-helix	trans	-91.2	-14.3	-168.1	-65.1	0	0	0	0	115.5	W29 A133 F225 L292 K293 T294 I295	W29-C298 WeakPolarHBondContact CH2-O 3.22Å; W29-C298 WeakPolarHBondContact CZ2-O 3.41Å; A133-C298 HydrophobicContact CB-CB 4.32Å; A133-C298 WeakPolarHBondContact CB-SG 3.33Å; F225-C298 VanDerWaalsContact CZ-C 3.41Å; F225-C298 WeakPolarHBondContact CZ-O 3.44Å; L292-C298 PolarHBondContact O-SG 3.05Å; K293-C298 VanDerWaalsContact C-SG 3.57Å; K293-C298 WeakPolarHBondContact CA-SG 3.13Å; T294-C298 WeakPolarHBondContact O-CB 3.16Å; T294-C298 PolarHBondContact O-N 3.47Å; I295-C298 PolarHBondContact O-N 2.93Å
299	H	88.6	Confident	93.8	Very high	79 Å²	79	39.2 Å²	39.2	37%	0.366	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-41.6	-172.8	-60.4	84.1	0	0	0	113.1	I295	I295-H299 HydrophobicContact CG1-CB 3.89Å; I295-H299 WeakPolarHBondContact O-CA 3.11Å; I295-H299 WeakPolarHBondContact O-CB 3.41Å; I295-H299 PolarHBondContact O-N 2.59Å
300	D	91.7	Very high	93.8	Very high	29 Å²	29	39 Å²	39	16%	0.155	18%	0.181	C	C	.	.			trans	-76.6	153.9	-176.9	-73.2	-24	0	0	0	112.1	F225 K236 I295 L306	F225-D300 WeakPolarHBondContact CD2-O 3.47Å; F225-D300 WeakPolarHBondContact CE2-O 3.49Å; K236-D300 WeakPolarHBondContact CE-O 3.44Å; K236-D300 PolarHBondContact NZ-O 2.59Å; I295-D300 PolarHBondContact O-N 3.43Å; D300-L306 HydrophobicContact CB-CD1 4.35Å
301	H	94.6	Very high	94	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.028	15%	0.152	C	C	.	.			trans	-98	154.3	173.1	-67.6	45.2	0	0	0	108.8	M221 G222 I223 F225 G303	M221-H301 CarbonylContact O-C 3.57Å; M221-H301 VanDerWaalsContact O-CB 3.28Å; M221-H301 WeakPolarHBondContact O-CB 3.34Å; M221-H301 VanDerWaalsContact O-O 3.09Å; G222-H301 WeakPolarHBondContact O-CB 3.47Å; I223-H301 PolarHBondContact O-CD2 3.18Å; I223-H301 VanDerWaalsContact O-CD2 3.3Å; F225-H301 AromaticContact CD2-CE1 3.77Å; F225-H301 AromaticContact CD2-ND1 3.71Å; F225-H301 PolarHBondContact N-CD2 3.01Å; H301-G303 PolarHBondContact O-N 3.01Å
302	F	95.9	Very high	94.3	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.147	C	C	.	.			trans	-86.4	108.1	-176.1	-170.8	-101.8	0	0	0	110.8	V191 A195 G222 E224 P227 F235 K236 F239 L306	V191-F302 HydrophobicContact CG1-CZ 4.47Å; V191-F302 HydrophobicContact CG2-CE1 3.86Å; V191-F302 HydrophobicContact CG2-CZ 4.17Å; A195-F302 HydrophobicContact CB-CD1 3.73Å; A195-F302 HydrophobicContact CB-CE1 4.2Å; G222-F302 VanDerWaalsContact CA-O 3.26Å; G222-F302 WeakPolarHBondContact CA-O 3.4Å; E224-F302 PolarHBondContact O-N 3.41Å; P227-F302 HydrophobicContact CG-CB 3.57Å; P227-F302 HydrophobicContact CG-CD1 3.66Å; P227-F302 HydrophobicContact CG-CG 3.92Å; F235-F302 HydrophobicContact CB-CD1 4.09Å; F235-F302 HydrophobicContact CB-CE1 3.92Å; F235-F302 HydrophobicContact CB-CZ 4.17Å; F235-F302 HydrophobicContact CD1-CE1 4.12Å; F235-F302 HydrophobicContact CG-CE1 4.44Å; K236-F302 HydrophobicContact CB-CD2 4.45Å; K236-F302 HydrophobicContact CG-CB 3.94Å; K236-F302 HydrophobicContact CG-CD2 3.68Å; K236-F302 HydrophobicContact CG-CG 4.1Å; F239-F302 HydrophobicContact CB-CE2 4.42Å; F239-F302 HydrophobicContact CB-CZ 4.35Å; F239-F302 AromaticContact CD2-CZ 3.99Å; F239-F302 HydrophobicContact CD2-CZ 3.99Å; F239-F302 HydrophobicContact CG-CZ 4.29Å; F302-L306 HydrophobicContact CD2-CB 3.65Å; F302-L306 HydrophobicContact CD2-CD1 4.08Å; F302-L306 HydrophobicContact CE2-CB 3.81Å
303	G	96.8	Very high	94.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-131.4	-156.3	177.9	0	0	0	0	0	112.3	S192 M220 G222 H301 Y305 G307	S192-G303 PolarHBondContact OG-O 3.44Å; M220-G303 CarbonylContact O-C 3.29Å; G222-G303 VanDerWaalsContact CA-CA 3.45Å; H301-G303 PolarHBondContact O-N 3.01Å; G303-Y305 VanDerWaalsContact C-N 3.3Å; G303-Y305 PolarHBondContact O-N 3.04Å; G303-G307 PolarHBondContact O-N 2.79Å
304	W	97.8	Very high	94.7	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-35.9	174.8	-177.8	91.2	0	0	0	113.6	L47 A50 P51 Y189 S192 Y219 M220 L306 W308	L47-W304 HydrophobicContact CD2-CB 4.25Å; L47-W304 HydrophobicContact CD2-CD2 3.44Å; L47-W304 VanDerWaalsContact CD2-CD2 3.44Å; L47-W304 HydrophobicContact CD2-CE3 3.5Å; L47-W304 VanDerWaalsContact CD2-CE3 3.5Å; L47-W304 HydrophobicContact CD2-CG 3.8Å; L47-W304 HydrophobicContact CD2-CH2 4.41Å; L47-W304 HydrophobicContact CD2-CZ2 4.39Å; L47-W304 HydrophobicContact CD2-CZ3 4Å; L47-W304 HydrophobicContact CG-CE3 4.49Å; A50-W304 HydrophobicContact CB-CH2 4.09Å; P51-W304 HydrophobicContact CG-CZ2 4Å; Y189-W304 AromaticContact CD1-CD1 3.89Å; Y189-W304 AromaticContact CD1-NE1 3.71Å; Y189-W304 AromaticContact CE1-CD1 3.79Å; Y189-W304 AromaticContact CE1-NE1 3.22Å; Y189-W304 AromaticContact CZ-NE1 3.52Å; S192-W304 WeakPolarHBondContact OG-CA 3.44Å; Y219-W304 HydrophobicContact CD1-CB 3.91Å; Y219-W304 HydrophobicContact CD1-CG 4.38Å; Y219-W304 HydrophobicContact CE1-CB 3.61Å; Y219-W304 AromaticContact CE1-CD1 3.67Å; Y219-W304 AromaticContact CE1-CG 3.75Å; Y219-W304 HydrophobicContact CE1-CG 3.75Å; Y219-W304 PolarHBondContact O-N 3.35Å; M220-W304 HydrophobicContact CE-CE3 4.04Å; M220-W304 HydrophobicContact CE-CZ3 3.84Å; M220-W304 HydrophobicContact CG-CE3 4.39Å; M220-W304 PolarHBondContact O-N 3.01Å; M220-W304 VanDerWaalsContact O-N 3.1Å; M220-W304 HydrophobicContact SD-CE3 3.99Å; M220-W304 HydrophobicContact SD-CZ3 4.1Å; W304-L306 PolarHBondContact O-N 2.85Å; W304-W308 HydrophobicContact CD2-CB 3.95Å; W304-W308 HydrophobicContact CD2-CG 4.41Å; W304-W308 AromaticContact CE2-CD2 3.88Å; W304-W308 AromaticContact CE2-CG 3.57Å; W304-W308 HydrophobicContact CG-CB 4.07Å; W304-W308 AromaticContact CH2-CD2 4Å; W304-W308 HydrophobicContact CH2-CD2 4Å; W304-W308 AromaticContact CH2-CE3 3.64Å; W304-W308 HydrophobicContact CH2-CE3 3.64Å; W304-W308 HydrophobicContact CH2-CZ3 4.04Å; W304-W308 HydrophobicContact CZ2-CB 4.08Å; W304-W308 AromaticContact CZ2-CD2 3.43Å; W304-W308 HydrophobicContact CZ2-CD2 3.43Å; W304-W308 VanDerWaalsContact CZ2-CD2 3.43Å; W304-W308 AromaticContact CZ2-CE2 3.98Å; W304-W308 AromaticContact CZ2-CE3 3.6Å; W304-W308 HydrophobicContact CZ2-CE3 3.6Å; W304-W308 AromaticContact CZ2-CG 3.65Å; W304-W308 HydrophobicContact CZ2-CG 3.65Å; W304-W308 HydrophobicContact CZ2-CZ3 4.26Å; W304-W308 HydrophobicContact CZ3-CE3 4.31Å; W304-W308 AromaticContact NE1-CD1 3.73Å; W304-W308 AromaticContact NE1-CG 3.5Å; W304-W308 VanDerWaalsContact O-CB 3.24Å; W304-W308 WeakPolarHBondContact O-CB 3.44Å; W304-W308 PolarHBondContact O-N 3.43Å
305	Y	95.9	Very high	94.8	Very high	123 Å²	123	26.7 Å²	26.7	48%	0.482	13%	0.127	S	C	.	.	H	α-helix	trans	-54.9	-53.5	178.9	178.5	-108.1	0	0	0	112.6	M220 G303 G309	M220-Y305 HydrophobicContact CE-CD2 3.89Å; M220-Y305 HydrophobicContact CE-CG 4.49Å; M220-Y305 WeakPolarHBondContact O-CB 3.39Å; M220-Y305 PolarHBondContact O-N 3.28Å; G303-Y305 VanDerWaalsContact C-N 3.3Å; G303-Y305 PolarHBondContact O-N 3.04Å; Y305-G309 WeakPolarHBondContact O-CA 3.39Å; Y305-G309 PolarHBondContact O-N 2.58Å; Y305-G309 VanDerWaalsContact O-N 3.15Å
306	L	95.3	Very high	95.2	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.052	10%	0.104	C	C	.	.	H	α-helix	trans	-75.7	-49.4	177.4	-65.7	178.1	0	0	0	111.6	K236 D296 D300 F302 W304 W308 G309 D310	K236-L306 HydrophobicContact CD-CD1 4.45Å; D296-L306 HydrophobicContact CB-CD2 4.36Å; D300-L306 HydrophobicContact CB-CD1 4.35Å; F302-L306 HydrophobicContact CD2-CB 3.65Å; F302-L306 HydrophobicContact CD2-CD1 4.08Å; F302-L306 HydrophobicContact CE2-CB 3.81Å; W304-L306 PolarHBondContact O-N 2.85Å; L306-W308 PolarHBondContact O-N 3.33Å; L306-G309 PolarHBondContact O-N 3.36Å; L306-D310 VanDerWaalsContact O-CB 3.3Å; L306-D310 WeakPolarHBondContact O-CB 3.35Å; L306-D310 PolarHBondContact O-N 2.81Å
307	G	96.1	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-47.1	-174.5	0	0	0	0	0	114.2	G303 C311	G303-G307 PolarHBondContact O-N 2.79Å; G307-C311 PolarHBondContact O-N 3.04Å; G307-C311 PolarHBondContact O-SG 2.87Å
308	W	97.9	Very high	95.7	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-77.9	-37.5	176.5	-179.2	91.1	0	0	0	112	A50 P51 V54 N185 Y189 W304 L306 D310 C311 V312 W313	A50-W308 HydrophobicContact CB-CH2 3.98Å; A50-W308 HydrophobicContact CB-CZ3 3.9Å; P51-W308 HydrophobicContact CB-CZ2 4Å; P51-W308 HydrophobicContact CG-CH2 4.49Å; P51-W308 HydrophobicContact CG-CZ2 3.94Å; V54-W308 HydrophobicContact CG2-CH2 3.71Å; V54-W308 HydrophobicContact CG2-CZ2 4.2Å; N185-W308 PolarHBondContact OD1-NE1 3.46Å; Y189-W308 AromaticContact CE2-CD1 3.97Å; W304-W308 HydrophobicContact CD2-CB 3.95Å; W304-W308 HydrophobicContact CD2-CG 4.41Å; W304-W308 AromaticContact CE2-CD2 3.88Å; W304-W308 AromaticContact CE2-CG 3.57Å; W304-W308 HydrophobicContact CG-CB 4.07Å; W304-W308 AromaticContact CH2-CD2 4Å; W304-W308 HydrophobicContact CH2-CD2 4Å; W304-W308 AromaticContact CH2-CE3 3.64Å; W304-W308 HydrophobicContact CH2-CE3 3.64Å; W304-W308 HydrophobicContact CH2-CZ3 4.04Å; W304-W308 HydrophobicContact CZ2-CB 4.08Å; W304-W308 AromaticContact CZ2-CD2 3.43Å; W304-W308 HydrophobicContact CZ2-CD2 3.43Å; W304-W308 VanDerWaalsContact CZ2-CD2 3.43Å; W304-W308 AromaticContact CZ2-CE2 3.98Å; W304-W308 AromaticContact CZ2-CE3 3.6Å; W304-W308 HydrophobicContact CZ2-CE3 3.6Å; W304-W308 AromaticContact CZ2-CG 3.65Å; W304-W308 HydrophobicContact CZ2-CG 3.65Å; W304-W308 HydrophobicContact CZ2-CZ3 4.26Å; W304-W308 HydrophobicContact CZ3-CE3 4.31Å; W304-W308 AromaticContact NE1-CD1 3.73Å; W304-W308 AromaticContact NE1-CG 3.5Å; W304-W308 VanDerWaalsContact O-CB 3.24Å; W304-W308 WeakPolarHBondContact O-CB 3.44Å; W304-W308 PolarHBondContact O-N 3.43Å; L306-W308 PolarHBondContact O-N 3.33Å; W308-D310 PolarHBondContact O-N 3.42Å; W308-C311 PolarHBondContact O-N 3.4Å; W308-V312 HydrophobicContact CD2-CB 4.13Å; W308-V312 HydrophobicContact CD2-CG2 4.45Å; W308-V312 HydrophobicContact CG-CB 4.49Å; W308-V312 HydrophobicContact CG-CG2 4.35Å; W308-V312 HydrophobicContact CH2-CB 4.48Å; W308-V312 HydrophobicContact CH2-CG1 4.21Å; W308-V312 HydrophobicContact CZ2-CB 3.83Å; W308-V312 HydrophobicContact CZ2-CG1 3.5Å; W308-V312 VanDerWaalsContact CZ2-CG1 3.5Å; W308-V312 HydrophobicContact CZ2-CG2 4.5Å; W308-V312 WeakPolarHBondContact O-CB 3.42Å; W308-V312 PolarHBondContact O-N 2.86Å; W308-W313 HydrophobicContact CH2-CE3 4.07Å; W308-W313 HydrophobicContact CZ3-CB 4.01Å; W308-W313 AromaticContact CZ3-CE3 3.92Å; W308-W313 HydrophobicContact CZ3-CE3 3.92Å
309	G	96.9	Very high	96.1	Very high	16 Å²	16	25.6 Å²	25.6	17%	0.165	12%	0.115	C	C	.	.	I	π-helix	trans	-57.2	-48.6	177.4	0	0	0	0	0	112.5	Y305 L306 C311 W313 L314	Y305-G309 WeakPolarHBondContact O-CA 3.39Å; Y305-G309 PolarHBondContact O-N 2.58Å; Y305-G309 VanDerWaalsContact O-N 3.15Å; L306-G309 PolarHBondContact O-N 3.36Å; G309-C311 PolarHBondContact O-N 3Å; G309-W313 WeakPolarHBondContact O-CB 3.35Å; G309-W313 PolarHBondContact O-N 3.02Å; G309-L314 PolarHBondContact O-N 3.31Å
310	D	96.1	Very high	96.6	Very high	12 Å²	12	23.3 Å²	23.3	6%	0.064	11%	0.105	C	C	.	.	I	π-helix	trans	-67.1	-35.7	179.5	-68.7	-29	0	0	0	112.5	F239 N240 L306 W308 P315	F239-D310 HydrophobicContact CB-CB 4.14Å; N240-D310 WeakPolarHBondContact CA-OD2 3.17Å; N240-D310 PolarHBondContact N-OD2 2.68Å; N240-D310 PolarHBondContact ND2-OD1 3.28Å; N240-D310 VanDerWaalsContact ND2-OD1 3.15Å; L306-D310 VanDerWaalsContact O-CB 3.3Å; L306-D310 WeakPolarHBondContact O-CB 3.35Å; L306-D310 PolarHBondContact O-N 2.81Å; W308-D310 PolarHBondContact O-N 3.42Å; D310-P315 WeakPolarHBondContact O-CD 3.21Å
311	C	97.1	Very high	96.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.014	12%	0.118	C	C	.	.	I	π-helix	trans	-78.8	-35.1	-178.8	-68.8	0	0	0	0	113.7	F239 G307 W308 G309 P315	F239-C311 WeakPolarHBondContact CD1-SG 3.29Å; F239-C311 VanDerWaalsContact CE1-SG 3.5Å; G307-C311 PolarHBondContact O-N 3.04Å; G307-C311 PolarHBondContact O-SG 2.87Å; W308-C311 PolarHBondContact O-N 3.4Å; G309-C311 PolarHBondContact O-N 3Å; C311-P315 WeakPolarHBondContact O-CG 3.33Å
312	V	97.8	Very high	97	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-122.9	-57.7	-166.3	-176.4	0	0	0	0	111.4	V54 L181 A184 W308 L314 Y316	V54-V312 HydrophobicContact CB-CG1 4.39Å; V54-V312 HydrophobicContact CG1-CG1 3.94Å; V54-V312 HydrophobicContact CG2-CG1 4.35Å; L181-V312 HydrophobicContact CD1-CG1 3.84Å; A184-V312 VanDerWaalsContact C-CG2 3.49Å; A184-V312 HydrophobicContact CB-CG2 3.93Å; A184-V312 WeakPolarHBondContact O-CG2 3.4Å; W308-V312 HydrophobicContact CD2-CB 4.13Å; W308-V312 HydrophobicContact CD2-CG2 4.45Å; W308-V312 HydrophobicContact CG-CB 4.49Å; W308-V312 HydrophobicContact CG-CG2 4.35Å; W308-V312 HydrophobicContact CH2-CB 4.48Å; W308-V312 HydrophobicContact CH2-CG1 4.21Å; W308-V312 HydrophobicContact CZ2-CB 3.83Å; W308-V312 HydrophobicContact CZ2-CG1 3.5Å; W308-V312 VanDerWaalsContact CZ2-CG1 3.5Å; W308-V312 HydrophobicContact CZ2-CG2 4.5Å; W308-V312 WeakPolarHBondContact O-CB 3.42Å; W308-V312 PolarHBondContact O-N 2.86Å; V312-L314 PolarHBondContact O-N 3.22Å; V312-Y316 HydrophobicContact CG1-CD2 4.33Å; V312-Y316 WeakPolarHBondContact O-CB 3.38Å; V312-Y316 WeakPolarHBondContact O-CD2 3.3Å; V312-Y316 PolarHBondContact O-N 3.27Å
313	W	97.8	Very high	97.1	Very high	95 Å²	95	26 Å²	26	36%	0.36	12%	0.117	S	C	.	.	I	π-helix	trans	-59.7	-51.9	-174.1	-175.4	-85.5	0	0	0	111.9	A50 I53 V54 W308 G309 L317	A50-W313 HydrophobicContact CB-CZ3 4.22Å; I53-W313 HydrophobicContact CG2-CH2 4.46Å; I53-W313 HydrophobicContact CG2-CZ3 4.31Å; V54-W313 HydrophobicContact CG2-CE3 3.9Å; V54-W313 HydrophobicContact CG2-CZ3 4.38Å; W308-W313 HydrophobicContact CH2-CE3 4.07Å; W308-W313 HydrophobicContact CZ3-CB 4.01Å; W308-W313 AromaticContact CZ3-CE3 3.92Å; W308-W313 HydrophobicContact CZ3-CE3 3.92Å; G309-W313 WeakPolarHBondContact O-CB 3.35Å; G309-W313 PolarHBondContact O-N 3.02Å; W313-L317 HydrophobicContact CD2-CD1 3.42Å; W313-L317 VanDerWaalsContact CD2-CD1 3.42Å; W313-L317 HydrophobicContact CD2-CG 4.4Å; W313-L317 HydrophobicContact CE3-CD1 3.56Å; W313-L317 HydrophobicContact CG-CD1 4.1Å; W313-L317 HydrophobicContact CH2-CD1 3.6Å; W313-L317 HydrophobicContact CZ2-CD1 3.46Å; W313-L317 VanDerWaalsContact CZ2-CD1 3.46Å; W313-L317 HydrophobicContact CZ3-CD1 3.65Å; W313-L317 VanDerWaalsContact O-CB 3.3Å; W313-L317 WeakPolarHBondContact O-CB 3.46Å; W313-L317 PolarHBondContact O-N 3.4Å
314	L	96.3	Very high	97.1	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-61.7	-178	-174.5	162.8	0	0	0	112	I245 W248 G309 V312 Y316 Y318	I245-L314 HydrophobicContact CD1-CD1 4.32Å; I245-L314 HydrophobicContact CG1-CD1 3.72Å; I245-L314 HydrophobicContact CG1-CD2 4.21Å; W248-L314 HydrophobicContact CE3-CD2 4.32Å; G309-L314 PolarHBondContact O-N 3.31Å; V312-L314 PolarHBondContact O-N 3.22Å; L314-Y316 VanDerWaalsContact C-N 3.3Å; L314-Y316 PolarHBondContact O-N 3.06Å; L314-Y318 HydrophobicContact CG-CD2 4.09Å; L314-Y318 HydrophobicContact CG-CE2 4.26Å; L314-Y318 HydrophobicContact CG-CG 4.47Å; L314-Y318 WeakPolarHBondContact O-CB 3.16Å; L314-Y318 PolarHBondContact O-N 2.92Å
315	P	96.3	Very high	97.1	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-27.1	-173.5	22.8	-31.8	0	0	0	113.8	I251 D310 C311 T319	I251-P315 HydrophobicContact CD1-CB 3.69Å; D310-P315 WeakPolarHBondContact O-CD 3.21Å; C311-P315 WeakPolarHBondContact O-CG 3.33Å; P315-T319 WeakPolarHBondContact O-CB 3.46Å; P315-T319 VanDerWaalsContact O-CG2 3.22Å; P315-T319 WeakPolarHBondContact O-CG2 3.24Å; P315-T319 PolarHBondContact O-OG1 2.84Å
316	Y	97.6	Very high	97.2	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-91.6	-34.5	-176.8	-72.2	-93.5	0	0	0	113.7	V54 I58 W177 L180 L181 A184 V312 L314	V54-Y316 HydrophobicContact CG1-CG 4.24Å; I58-Y316 HydrophobicContact CD1-CD1 3.99Å; I58-Y316 HydrophobicContact CG1-CD1 3.97Å; W177-Y316 HydrophobicContact CD2-CD1 4.27Å; W177-Y316 AromaticContact CD2-CE1 3.78Å; W177-Y316 HydrophobicContact CD2-CE1 3.78Å; W177-Y316 AromaticContact CE2-CD1 3.52Å; W177-Y316 AromaticContact CE2-CE1 3.52Å; W177-Y316 AromaticContact CE3-CE1 3.92Å; W177-Y316 HydrophobicContact CE3-CE1 3.92Å; W177-Y316 AromaticContact CH2-CD1 3.6Å; W177-Y316 HydrophobicContact CH2-CD1 3.6Å; W177-Y316 AromaticContact CH2-CE1 3.57Å; W177-Y316 HydrophobicContact CH2-CE1 3.57Å; W177-Y316 HydrophobicContact CH2-CG 4.08Å; W177-Y316 AromaticContact CZ2-CD1 3.17Å; W177-Y316 HydrophobicContact CZ2-CD1 3.17Å; W177-Y316 AromaticContact CZ2-CE1 3.45Å; W177-Y316 HydrophobicContact CZ2-CE1 3.45Å; W177-Y316 VanDerWaalsContact CZ2-CE1 3.45Å; W177-Y316 AromaticContact CZ2-CG 3.9Å; W177-Y316 HydrophobicContact CZ2-CG 3.9Å; W177-Y316 HydrophobicContact CZ3-CD1 4.3Å; W177-Y316 AromaticContact CZ3-CE1 3.8Å; W177-Y316 HydrophobicContact CZ3-CE1 3.8Å; L180-Y316 PolarHBondContact O-OH 3.19Å; L181-Y316 VanDerWaalsContact CA-CZ 3.45Å; L181-Y316 WeakPolarHBondContact CA-OH 3.49Å; L181-Y316 HydrophobicContact CB-CD1 4.32Å; L181-Y316 HydrophobicContact CB-CE1 3.58Å; L181-Y316 HydrophobicContact CD1-CD1 3.74Å; L181-Y316 HydrophobicContact CD1-CD2 3.91Å; L181-Y316 HydrophobicContact CD1-CE1 3.76Å; L181-Y316 HydrophobicContact CD1-CE2 3.93Å; L181-Y316 HydrophobicContact CD1-CG 3.84Å; L181-Y316 HydrophobicContact CG-CD1 4.47Å; L181-Y316 HydrophobicContact CG-CE1 4.19Å; L181-Y316 PolarHBondContact N-OH 3.13Å; A184-Y316 HydrophobicContact CB-CE2 3.93Å; V312-Y316 HydrophobicContact CG1-CD2 4.33Å; V312-Y316 WeakPolarHBondContact O-CB 3.38Å; V312-Y316 WeakPolarHBondContact O-CD2 3.3Å; V312-Y316 PolarHBondContact O-N 3.27Å; L314-Y316 VanDerWaalsContact C-N 3.3Å; L314-Y316 PolarHBondContact O-N 3.06Å
317	L	97.2	Very high	97.2	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-89.3	-33	179.7	-61.2	-172.3	0	0	0	112.8	V54 F57 W313 T319 L320	V54-L317 HydrophobicContact CG2-CD1 4.15Å; V54-L317 HydrophobicContact CG2-CD2 4.23Å; V54-L317 HydrophobicContact CG2-CG 4.1Å; F57-L317 HydrophobicContact CB-CD2 4.17Å; F57-L317 HydrophobicContact CD2-CD2 4.25Å; F57-L317 HydrophobicContact CG-CD2 4.25Å; W313-L317 HydrophobicContact CD2-CD1 3.42Å; W313-L317 VanDerWaalsContact CD2-CD1 3.42Å; W313-L317 HydrophobicContact CD2-CG 4.4Å; W313-L317 HydrophobicContact CE3-CD1 3.56Å; W313-L317 HydrophobicContact CG-CD1 4.1Å; W313-L317 HydrophobicContact CH2-CD1 3.6Å; W313-L317 HydrophobicContact CZ2-CD1 3.46Å; W313-L317 VanDerWaalsContact CZ2-CD1 3.46Å; W313-L317 HydrophobicContact CZ3-CD1 3.65Å; W313-L317 VanDerWaalsContact O-CB 3.3Å; W313-L317 WeakPolarHBondContact O-CB 3.46Å; W313-L317 PolarHBondContact O-N 3.4Å; L317-T319 PolarHBondContact O-N 2.86Å; L317-L320 HydrophobicContact CB-CD1 4.37Å; L317-L320 HydrophobicContact CD2-CD1 3.75Å; L317-L320 HydrophobicContact CD2-CG 4.42Å; L317-L320 WeakPolarHBondContact O-CB 3.41Å; L317-L320 WeakPolarHBondContact O-CG 3.5Å; L317-L320 PolarHBondContact O-N 2.96Å
318	Y	97.4	Very high	97.2	Very high	102 Å²	102	30.6 Å²	30.6	40%	0.4	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.3	-177.8	-70.7	22.7	0	0	0	112.5	W248 Q277 L314 Q321	W248-Y318 HydrophobicContact CE3-CD2 4.23Å; W248-Y318 AromaticContact CH2-CD2 3.61Å; W248-Y318 HydrophobicContact CH2-CD2 3.61Å; W248-Y318 HydrophobicContact CH2-CE2 4.41Å; W248-Y318 HydrophobicContact CH2-CG 4.45Å; W248-Y318 HydrophobicContact CZ2-CD2 4.01Å; W248-Y318 HydrophobicContact CZ2-CG 4.42Å; W248-Y318 AromaticContact CZ3-CD2 3.73Å; W248-Y318 HydrophobicContact CZ3-CD2 3.73Å; W248-Y318 HydrophobicContact CZ3-CE2 4.4Å; W248-Y318 PolarHBondContact NE1-O 3.25Å; Q277-Y318 PolarHBondContact NE2-O 2.85Å; L314-Y318 HydrophobicContact CG-CD2 4.09Å; L314-Y318 HydrophobicContact CG-CE2 4.26Å; L314-Y318 HydrophobicContact CG-CG 4.47Å; L314-Y318 WeakPolarHBondContact O-CB 3.16Å; L314-Y318 PolarHBondContact O-N 2.92Å; Y318-Q321 PolarHBondContact O-OE1 3.08Å
319	T	97.9	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	2.7	177.5	59.1	0	0	0	0	113.1	W248 I251 P315 L317 Q321 G322 L323	W248-T319 HydrophobicContact CG-CG2 4.25Å; I251-T319 HydrophobicContact CB-CG2 4.04Å; I251-T319 HydrophobicContact CD1-CG2 4.42Å; I251-T319 HydrophobicContact CG2-CG2 3.7Å; P315-T319 WeakPolarHBondContact O-CB 3.46Å; P315-T319 VanDerWaalsContact O-CG2 3.22Å; P315-T319 WeakPolarHBondContact O-CG2 3.24Å; P315-T319 PolarHBondContact O-OG1 2.84Å; L317-T319 PolarHBondContact O-N 2.86Å; T319-Q321 PolarHBondContact O-N 3.33Å; T319-Q321 VanDerWaalsContact O-N 3.17Å; T319-G322 WeakPolarHBondContact O-CA 3.33Å; T319-G322 PolarHBondContact O-N 2.61Å; T319-L323 PolarHBondContact O-N 3Å
320	L	97.6	Very high	97	Very high	30 Å²	30	34.7 Å²	34.7	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-33.1	-177.3	-79.6	173.9	0	0	0	113.2	F57 I58 L317 G322 L323 Y324	F57-L320 HydrophobicContact CB-CD1 4.24Å; F57-L320 HydrophobicContact CB-CD2 4.13Å; F57-L320 HydrophobicContact CD1-CD1 3.61Å; F57-L320 HydrophobicContact CD1-CD2 4.47Å; F57-L320 HydrophobicContact CE1-CD1 4.19Å; F57-L320 HydrophobicContact CG-CD1 4.04Å; I58-L320 HydrophobicContact CD1-CD2 4.18Å; L317-L320 HydrophobicContact CB-CD1 4.37Å; L317-L320 HydrophobicContact CD2-CD1 3.75Å; L317-L320 HydrophobicContact CD2-CG 4.42Å; L317-L320 WeakPolarHBondContact O-CB 3.41Å; L317-L320 WeakPolarHBondContact O-CG 3.5Å; L317-L320 PolarHBondContact O-N 2.96Å; L320-G322 VanDerWaalsContact C-N 3.35Å; L320-L323 HydrophobicContact CD2-CD2 4.25Å; L320-L323 PolarHBondContact O-N 2.81Å; L320-Y324 VanDerWaalsContact O-CB 3.27Å; L320-Y324 WeakPolarHBondContact O-CB 3.39Å; L320-Y324 PolarHBondContact O-N 3.42Å
321	Q	97.6	Very high	97	Very high	92 Å²	92	39 Å²	39	43%	0.43	18%	0.179	S	C	.	.	H	α-helix	trans	-63.6	-44.3	177.4	-54.7	80.1	-1.5	0	0	110.2	V273 Y318 T319 L325	V273-Q321 HydrophobicContact CG1-CB 4.09Å; V273-Q321 HydrophobicContact CG2-CB 4.19Å; Y318-Q321 PolarHBondContact O-OE1 3.08Å; T319-Q321 PolarHBondContact O-N 3.33Å; T319-Q321 VanDerWaalsContact O-N 3.17Å; Q321-L325 VanDerWaalsContact O-CG 3.25Å; Q321-L325 WeakPolarHBondContact O-CG 3.25Å; Q321-L325 PolarHBondContact O-N 3.37Å; Q321-L325 VanDerWaalsContact O-N 3.11Å
322	G	97.6	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-46.9	173.5	0	0	0	0	0	111.2	F255 M270 T319 L320 Y324 L325 V326	F255-G322 VanDerWaalsContact CD2-C 3.49Å; M270-G322 WeakPolarHBondContact CE-O 3.46Å; T319-G322 WeakPolarHBondContact O-CA 3.33Å; T319-G322 PolarHBondContact O-N 2.61Å; L320-G322 VanDerWaalsContact C-N 3.35Å; G322-Y324 VanDerWaalsContact C-N 3.35Å; G322-Y324 PolarHBondContact O-N 3.07Å; G322-L325 PolarHBondContact O-N 2.83Å; G322-L325 VanDerWaalsContact O-N 3.16Å; G322-V326 WeakPolarHBondContact O-CG2 2.83Å; G322-V326 PolarHBondContact O-N 2.83Å; G322-V326 VanDerWaalsContact O-N 3.15Å
323	L	97.8	Very high	96.5	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-46.5	178.8	-176.7	59.2	0	0	0	111.7	I58 C61 F174 F255 T319 L320 L325 V326 Y327	I58-L323 HydrophobicContact CD1-CD2 3.9Å; C61-L323 HydrophobicContact CB-CD2 3.61Å; C61-L323 HydrophobicContact CB-CG 3.98Å; F174-L323 HydrophobicContact CD2-CD1 4.25Å; F174-L323 HydrophobicContact CE2-CD1 3.75Å; F255-L323 HydrophobicContact CD2-CB 4.27Å; F255-L323 VanDerWaalsContact CD2-N 3.3Å; F255-L323 HydrophobicContact CE1-CD1 4.32Å; F255-L323 HydrophobicContact CE2-CB 3.67Å; F255-L323 HydrophobicContact CE2-CD1 4.39Å; F255-L323 HydrophobicContact CZ-CB 4.08Å; F255-L323 HydrophobicContact CZ-CD1 4.01Å; T319-L323 PolarHBondContact O-N 3Å; L320-L323 HydrophobicContact CD2-CD2 4.25Å; L320-L323 PolarHBondContact O-N 2.81Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 3.35Å; L323-V326 WeakPolarHBondContact O-CB 3.31Å; L323-V326 PolarHBondContact O-N 3.36Å; L323-Y327 HydrophobicContact CD1-CE2 3.85Å; L323-Y327 HydrophobicContact CG-CE2 4.29Å; L323-Y327 VanDerWaalsContact O-CD2 3.31Å; L323-Y327 WeakPolarHBondContact O-CD2 3.18Å
324	Y	97.9	Very high	95.7	Very high	101 Å²	101	49.7 Å²	49.7	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-47.6	175.5	177.9	-89.1	0	0	0	111.6	C66 L320 G322 V326 Y327 H328	C66-Y324 HydrophobicContact CB-CD2 3.57Å; C66-Y324 HydrophobicContact CB-CE2 4.19Å; L320-Y324 VanDerWaalsContact O-CB 3.27Å; L320-Y324 WeakPolarHBondContact O-CB 3.39Å; L320-Y324 PolarHBondContact O-N 3.42Å; G322-Y324 VanDerWaalsContact C-N 3.35Å; G322-Y324 PolarHBondContact O-N 3.07Å; Y324-V326 PolarHBondContact O-N 2.65Å; Y324-Y327 PolarHBondContact O-N 3.27Å; Y324-Y327 VanDerWaalsContact O-N 3.11Å; Y324-H328 HydrophobicContact CD1-CB 4.03Å; Y324-H328 AromaticContact CD2-CD2 3.63Å; Y324-H328 HydrophobicContact CE1-CB 3.54Å; Y324-H328 AromaticContact CE1-CD2 3.82Å; Y324-H328 AromaticContact CE1-CG 3.8Å; Y324-H328 AromaticContact CE2-CD2 3.31Å; Y324-H328 WeakPolarHBondContact CE2-CD2 3.4Å; Y324-H328 AromaticContact CE2-CG 3.98Å; Y324-H328 AromaticContact CE2-NE2 3.69Å; Y324-H328 AromaticContact CZ-CD2 3.41Å; Y324-H328 VanDerWaalsContact CZ-CD2 3.41Å; Y324-H328 AromaticContact CZ-CG 3.57Å; Y324-H328 PolarHBondContact O-CD2 2.86Å; Y324-H328 PolarHBondContact O-N 3.41Å
325	L	98	Very high	93.5	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-23.6	-178	-70.4	171.5	0	0	0	113.2	Q259 A269 M270 V273 Q321 G322 L323 Y327 H328 V330	Q259-L325 PolarHBondContact NE2-O 3.15Å; A269-L325 HydrophobicContact CB-CD1 4.04Å; A269-L325 HydrophobicContact CB-CD2 3.91Å; M270-L325 HydrophobicContact CB-CD1 4.31Å; M270-L325 HydrophobicContact CE-CB 3.62Å; M270-L325 HydrophobicContact SD-CB 4.34Å; V273-L325 HydrophobicContact CB-CD1 4.45Å; V273-L325 HydrophobicContact CG2-CD1 3.81Å; Q321-L325 VanDerWaalsContact O-CG 3.25Å; Q321-L325 WeakPolarHBondContact O-CG 3.25Å; Q321-L325 PolarHBondContact O-N 3.37Å; Q321-L325 VanDerWaalsContact O-N 3.11Å; G322-L325 PolarHBondContact O-N 2.83Å; G322-L325 VanDerWaalsContact O-N 3.16Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 3.35Å; L325-Y327 VanDerWaalsContact C-N 3.29Å; L325-Y327 PolarHBondContact O-N 2.79Å; L325-H328 WeakPolarHBondContact CA-O 3.49Å; L325-H328 CarbonylContact O-C 3.45Å; L325-H328 VanDerWaalsContact O-C 3.29Å; L325-H328 PolarHBondContact O-N 3.15Å; L325-V330 HydrophobicContact CD2-CB 3.93Å; L325-V330 HydrophobicContact CD2-CG2 4.06Å
326	V	97.4	Very high	93.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-43	171.9	-178.9	0	0	0	0	111	F174 F255 K258 L262 H263 M270 G322 L323 Y324	F174-V326 HydrophobicContact CD2-CG1 4.31Å; F174-V326 HydrophobicContact CD2-CG2 4.22Å; F174-V326 HydrophobicContact CE2-CB 3.95Å; F174-V326 HydrophobicContact CE2-CG1 3.59Å; F174-V326 HydrophobicContact CE2-CG2 3.99Å; F174-V326 HydrophobicContact CZ-CG1 3.76Å; F255-V326 HydrophobicContact CB-CG2 3.7Å; F255-V326 HydrophobicContact CG-CG2 4.17Å; F255-V326 WeakPolarHBondContact O-CG2 2.85Å; K258-V326 HydrophobicContact CB-CG1 4.16Å; K258-V326 HydrophobicContact CG-CG1 3.78Å; L262-V326 HydrophobicContact CD1-CG1 3.81Å; H263-V326 PolarHBondContact NE2-O 3.28Å; M270-V326 HydrophobicContact CE-CG2 3.9Å; G322-V326 WeakPolarHBondContact O-CG2 2.83Å; G322-V326 PolarHBondContact O-N 2.83Å; G322-V326 VanDerWaalsContact O-N 3.15Å; L323-V326 WeakPolarHBondContact O-CB 3.31Å; L323-V326 PolarHBondContact O-N 3.36Å; Y324-V326 PolarHBondContact O-N 2.65Å
327	Y	96	Very high	93.1	Very high	65 Å²	65	63 Å²	63	26%	0.255	34%	0.34	S	S	.	.	H	α-helix	trans	-84.4	-25.1	179.3	-59.6	-74.3	0	0	0	112.9	C61 F174 L323 Y324 L325	C61-Y327 HydrophobicContact CB-CE2 4.41Å; F174-Y327 HydrophobicContact CE2-CE2 4.37Å; F174-Y327 HydrophobicContact CZ-CE1 4.36Å; F174-Y327 HydrophobicContact CZ-CE2 4.34Å; F174-Y327 AromaticContact CZ-CZ 3.83Å; F174-Y327 WeakPolarHBondContact CZ-OH 3.47Å; L323-Y327 HydrophobicContact CD1-CE2 3.85Å; L323-Y327 HydrophobicContact CG-CE2 4.29Å; L323-Y327 VanDerWaalsContact O-CD2 3.31Å; L323-Y327 WeakPolarHBondContact O-CD2 3.18Å; Y324-Y327 PolarHBondContact O-N 3.27Å; Y324-Y327 VanDerWaalsContact O-N 3.11Å; L325-Y327 VanDerWaalsContact C-N 3.29Å; L325-Y327 PolarHBondContact O-N 2.79Å
328	H	96.2	Very high	92.9	Very high	58 Å²	58	65.3 Å²	65.3	27%	0.269	35%	0.353	S	S	.	.	S	Bend	trans	-122.3	88.4	-178.3	-62.4	-78.6	0	0	0	110.8	S65 Y324 L325 V330	S65-H328 PolarHBondContact O-NE2 3.42Å; Y324-H328 HydrophobicContact CD1-CB 4.03Å; Y324-H328 AromaticContact CD2-CD2 3.63Å; Y324-H328 HydrophobicContact CE1-CB 3.54Å; Y324-H328 AromaticContact CE1-CD2 3.82Å; Y324-H328 AromaticContact CE1-CG 3.8Å; Y324-H328 AromaticContact CE2-CD2 3.31Å; Y324-H328 WeakPolarHBondContact CE2-CD2 3.4Å; Y324-H328 AromaticContact CE2-CG 3.98Å; Y324-H328 AromaticContact CE2-NE2 3.69Å; Y324-H328 AromaticContact CZ-CD2 3.41Å; Y324-H328 VanDerWaalsContact CZ-CD2 3.41Å; Y324-H328 AromaticContact CZ-CG 3.57Å; Y324-H328 PolarHBondContact O-CD2 2.86Å; Y324-H328 PolarHBondContact O-N 3.41Å; L325-H328 WeakPolarHBondContact CA-O 3.49Å; L325-H328 CarbonylContact O-C 3.45Å; L325-H328 VanDerWaalsContact O-C 3.29Å; L325-H328 PolarHBondContact O-N 3.15Å; H328-V330 VanDerWaalsContact C-N 3.28Å; H328-V330 HydrophobicContact CB-CG2 4.4Å; H328-V330 PolarHBondContact O-N 3.25Å
329	P	94.5	Very high	92.6	Very high	53 Å²	53	63.2 Å²	63.2	34%	0.344	35%	0.35	S	S	.	.			trans	-71.8	81.6	-179.9	30.8	-36	0	0	0	111.3	T267	T267-P329 HydrophobicContact CG2-CB 3.7Å
330	V	96	Very high	92.3	Very high	54 Å²	54	67.1 Å²	67.1	33%	0.327	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-81.1	122.2	-180	178.2	0	0	0	0	111.1	T267 A269 L325 H328 L332	T267-V330 VanDerWaalsContact CB-O 3.24Å; T267-V330 WeakPolarHBondContact CB-O 3.49Å; A269-V330 HydrophobicContact CB-CB 4.3Å; A269-V330 HydrophobicContact CB-CG1 4.49Å; A269-V330 VanDerWaalsContact CB-O 3.25Å; A269-V330 WeakPolarHBondContact CB-O 3.07Å; L325-V330 HydrophobicContact CD2-CB 3.93Å; L325-V330 HydrophobicContact CD2-CG2 4.06Å; H328-V330 VanDerWaalsContact C-N 3.28Å; H328-V330 HydrophobicContact CB-CG2 4.4Å; H328-V330 PolarHBondContact O-N 3.25Å; V330-L332 HydrophobicContact CG1-CD2 4.12Å
331	Q	95.3	Very high	91.9	Very high	101 Å²	101	69.6 Å²	69.6	47%	0.472	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-99.9	118.2	166.6	-66.8	-71.9	11.9	0	0	109.9	H265 T267 N268	H265-Q331 PolarHBondContact CD2-NE2 3.07Å; H265-Q331 PolarHBondContact NE2-NE2 2.97Å; T267-Q331 HydrophobicContact CG2-CG 4.34Å; N268-Q331 VanDerWaalsContact CG-OE1 3.23Å; N268-Q331 WeakPolarHBondContact OD1-CA 3.42Å; N268-Q331 PolarHBondContact OD1-OE1 3.17Å
332	L	93.4	Very high	91.5	Very high	84 Å²	84	68 Å²	68	44%	0.44	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-74.5	139	176.3	-56.3	173.9	0	0	0	110.4	N268 A269 L272 V330	N268-L332 PolarHBondContact ND2-N 3.49Å; N268-L332 PolarHBondContact ND2-O 3.28Å; N268-L332 PolarHBondContact OD1-N 3.45Å; A269-L332 HydrophobicContact CB-CD1 4.23Å; A269-L332 HydrophobicContact CB-CG 4.09Å; L272-L332 HydrophobicContact CD2-CD1 4.1Å; V330-L332 HydrophobicContact CG1-CD2 4.12Å
333	S	90.8	Very high	91.1	Very high	99 Å²	99	73.2 Å²	73.2	69%	0.692	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-74.1	142.9	172.7	55.4	0	0	0	0	111.3	C335	S333-C335 VanDerWaalsContact C-N 3.29Å; S333-C335 PolarHBondContact O-N 3.32Å
334	T	80.3	Confident	90.5	Very high	140 Å²	140	79.2 Å²	79.2	86%	0.859	45%	0.446	S	S	*	.			trans	-92.7	20.8	175.7	56.2	0	0	0	0	113.2
335	C	50.1	Low	89.8	Confident	183 Å²	183	77.2 Å²	77.2	100%	1.236	45%	0.451	S	S	*	.			trans	-76	0	-174.1	-67.5	0	0	0	0	112.9	S333	S333-C335 VanDerWaalsContact C-N 3.29Å; S333-C335 PolarHBondContact O-N 3.32Å

Retrieved 335 of 335 residues in 77.9 ms (Link to these results)

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