A0A024R5F7_HUMAN Loading...

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. Component of the microsomal antiestrogen binding site (AEBS), a multiproteic complex at the ER membrane that consists of an association between cholestenol Delta-isomerase/EBP and DHCR7. This complex is responsible for cholesterol-5,6-epoxide hydrolase (ChEH) activity, which consists in the hydration of cholesterol-5,6-epoxides (5,6-EC) into cholestane-3beta,5alpha,6beta-triol (CT). The precise role of each component of this complex has not been described yet. Oxidoreductase that 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.

AlphaFold DB (Q9UBM7), UniProt , Accession A0A024R5F7, Species HUMAN (Homo sapiens, Human), Gene DHCR7, Length 475 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	35.9	Very low	35.3	Very low	242 Å²	242	149.9 Å²	149.9	100%	1.192	83%	0.827	S	S	*	*				0	91.5	0	-73.2	174.1	179.1	0	0	106.8
2	A	36.7	Very low	34.9	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	82%	0.822	S	S	*	*				65.6	98.6	108.8	0	0	0	0	0	111
3	A	35.7	Very low	34.7	Very low	86 Å²	86	149.4 Å²	149.4	71%	0.711	83%	0.826	S	S	*	*				106.3	133.3	93.7	0	0	0	0	0	107.4
4	K	37.7	Very low	34.3	Very low	189 Å²	189	146.4 Å²	146.4	82%	0.822	82%	0.82	S	S	*	*			cis	-169.5	129.5	26.3	-108.8	159.9	-178.2	-174.1	0	106
5	S	35.9	Very low	34.2	Very low	92 Å²	92	147.9 Å²	147.9	64%	0.643	82%	0.824	S	S	*	*				55.6	128.5	101.2	74.2	0	0	0	0	113.9
6	Q	37.5	Very low	33.8	Very low	178 Å²	178	148.4 Å²	148.4	83%	0.832	83%	0.825	S	S	*	*			cis	171.7	-175.3	32.3	-114	173.1	2.2	0	0	106.2
7	P	38.3	Very low	33.6	Very low	104 Å²	104	143.6 Å²	143.6	68%	0.675	82%	0.817	S	S	*	*			cis	-138.5	153.9	-34.7	33	-13.6	0	0	0	115.8
8	N	33.1	Very low	33.4	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	82%	0.82	S	S	*	*			trans	10.1	130.4	145.1	-63.1	-20.8	0	0	0	123
9	I	34.9	Very low	33.3	Very low	171 Å²	171	143.2 Å²	143.2	88%	0.877	82%	0.82	S	S	*	*			trans	-146.4	144.4	134.9	-64.2	-167.6	0	0	0	108.5
10	P	32.8	Very low	33	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	82%	0.816	S	S	*	*			trans	-101.2	167.3	-142.4	29.7	-19.4	0	0	0	119
11	K	29.6	Very low	32.9	Very low	212 Å²	212	142.8 Å²	142.8	92%	0.922	81%	0.813	S	S	*	*			trans	-50	136	179.2	-69.9	173.5	172.5	176.9	0	115.7
12	A	31	Very low	32.6	Very low	92 Å²	92	141.7 Å²	141.7	76%	0.76	80%	0.796	S	S	*	*			trans	-164	127	140	0	0	0	0	0	113.6
13	K	32.3	Very low	32.3	Very low	201 Å²	201	142.5 Å²	142.5	87%	0.874	79%	0.791	S	S	*	*			trans	80.3	123.2	153.1	-65.7	-179.9	178.4	-178.9	0	120.3
14	S	28.2	Very low	32.1	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	79%	0.786	S	S	*	*			trans	-54	129.7	169.5	47.8	0	0	0	0	112.7
15	L	33.4	Very low	32	Very low	169 Å²	169	136.1 Å²	136.1	89%	0.885	77%	0.77	S	S	*	*			trans	-97.2	82.4	166.5	-91.4	145.1	0	0	0	108.4
16	D	28.6	Very low	32.2	Very low	157 Å²	157	138.6 Å²	138.6	84%	0.84	77%	0.771	S	S	*	*			trans	-90.1	128.1	154.5	-75.3	-37.7	0	0	0	107.3
17	G	29	Very low	32.2	Very low	66 Å²	66	132 Å²	132	68%	0.68	75%	0.751	S	S	*	*			trans	124	70.8	167	0	0	0	0	0	115.9
18	V	30.9	Very low	33	Very low	145 Å²	145	135.3 Å²	135.3	88%	0.879	76%	0.757	S	S	*	*			trans	-128.1	77.5	154	-174.8	0	0	0	0	107.7
19	T	30.4	Very low	34.2	Very low	134 Å²	134	131.6 Å²	131.6	82%	0.822	73%	0.731	S	S	*	*			trans	-110.8	110.2	168.2	42.2	0	0	0	0	108.8	D21	T19-D21 PolarHBondContact O-N 3.35Å
20	N	28.3	Very low	35.7	Very low	137 Å²	137	125 Å²	125	73%	0.733	71%	0.705	S	S	*	*			trans	-7.7	103.2	168.9	-81.7	-29	0	0	0	117.8	R22 T23	N20-R22 VanDerWaalsContact C-N 3.28Å; N20-R22 PolarHBondContact O-N 2.83Å; N20-T23 PolarHBondContact O-OG1 3.48Å
21	D	31.1	Very low	37.5	Very low	142 Å²	142	119.5 Å²	119.5	76%	0.759	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	4	171.5	-135	-3.6	0	0	0	113.4	T19	T19-D21 PolarHBondContact O-N 3.35Å
22	R	30.4	Very low	39.4	Very low	219 Å²	219	111.6 Å²	111.6	83%	0.826	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-14	-178.6	-79.1	-174	175.4	179.6	-0.4	114.4	N20	N20-R22 VanDerWaalsContact C-N 3.28Å; N20-R22 PolarHBondContact O-N 2.83Å
23	T	29.6	Very low	41.2	Very low	112 Å²	112	112.1 Å²	112.1	69%	0.687	63%	0.625	S	S	*	*	S	Bend	trans	-84.7	-18.8	176.9	36.2	0	0	0	0	112.9	N20	N20-T23 PolarHBondContact O-OG1 3.48Å
24	A	30.3	Very low	43.2	Very low	73 Å²	73	110.6 Å²	110.6	60%	0.603	62%	0.621	S	S	*	*	S	Bend	trans	-78.2	-23.8	-175.8	0	0	0	0	0	114.2
25	S	36.3	Very low	45.6	Very low	69 Å²	69	107.4 Å²	107.4	48%	0.483	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-13.7	-175	74.3	0	0	0	0	115.5	G27	S25-G27 VanDerWaalsContact C-N 3.27Å; S25-G27 PolarHBondContact O-N 3.29Å
26	Q	39.3	Very low	48.1	Very low	144 Å²	144	103.2 Å²	103.2	67%	0.673	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-6.4	175.3	-75	-175.7	-20.4	0	0	113.2	Q28 W33	Q26-Q28 PolarHBondContact O-N 3.03Å; Q26-W33 PolarHBondContact O-NE1 3.2Å
27	G	39.1	Very low	51	Low	39 Å²	39	105.8 Å²	105.8	40%	0.402	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	1.3	-159.4	0	0	0	0	0	119.4	S25 W33	S25-G27 VanDerWaalsContact C-N 3.27Å; S25-G27 PolarHBondContact O-N 3.29Å; G27-W33 PolarHBondContact O-NE1 3.09Å
28	Q	55.1	Low	53.8	Low	173 Å²	173	109.5 Å²	109.5	81%	0.808	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	4.5	-170.8	-69.1	-168	-15.9	0	0	117.1	Q26	Q26-Q28 PolarHBondContact O-N 3.03Å
29	W	57.3	Low	56.4	Low	78 Å²	78	104.2 Å²	104.2	30%	0.295	54%	0.541	S	S	.	.	S	Bend	trans	-93.7	121.3	-171.2	-162.1	97.1	0	0	0	113.9	P136 K210 F225 C298 H299	W29-P136 HydrophobicContact CD2-CG 3.62Å; W29-P136 HydrophobicContact CE3-CB 4.5Å; W29-P136 HydrophobicContact CE3-CG 3.19Å; W29-P136 HydrophobicContact CG-CG 4.37Å; W29-P136 HydrophobicContact CH2-CG 3.54Å; W29-P136 HydrophobicContact CZ2-CG 4.01Å; W29-P136 VanDerWaalsContact CZ3-CD 3.46Å; W29-P136 HydrophobicContact CZ3-CG 3.17Å; W29-K210 WeakPolarHBondContact O-CE 3.27Å; W29-K210 PolarHBondContact O-NZ 2.86Å; W29-F225 HydrophobicContact CH2-CD1 4.38Å; W29-F225 HydrophobicContact CH2-CD2 4.48Å; W29-F225 AromaticContact CH2-CE1 3.57Å; W29-F225 HydrophobicContact CH2-CE1 3.57Å; W29-F225 AromaticContact CH2-CE2 3.71Å; W29-F225 HydrophobicContact CH2-CE2 3.71Å; W29-F225 AromaticContact CH2-CZ 3.22Å; W29-F225 HydrophobicContact CH2-CZ 3.22Å; W29-F225 HydrophobicContact CZ2-CZ 4.45Å; W29-F225 HydrophobicContact CZ3-CD1 4.36Å; W29-F225 AromaticContact CZ3-CD2 3.94Å; W29-F225 HydrophobicContact CZ3-CD2 3.94Å; W29-F225 AromaticContact CZ3-CE1 3.93Å; W29-F225 HydrophobicContact CZ3-CE1 3.93Å; W29-F225 AromaticContact CZ3-CE2 3.48Å; W29-F225 HydrophobicContact CZ3-CE2 3.48Å; W29-F225 VanDerWaalsContact CZ3-CE2 3.48Å; W29-F225 HydrophobicContact CZ3-CG 4.41Å; W29-F225 AromaticContact CZ3-CZ 3.51Å; W29-F225 HydrophobicContact CZ3-CZ 3.51Å; W29-C298 WeakPolarHBondContact CH2-O 3.38Å; W29-C298 WeakPolarHBondContact CZ2-O 3.19Å; W29-H299 AromaticContact CD2-ND1 3.85Å; W29-H299 AromaticContact CE2-CE1 3.64Å; W29-H299 AromaticContact CE2-ND1 3.35Å; W29-H299 VanDerWaalsContact CE2-ND1 3.35Å; W29-H299 AromaticContact CZ2-CE1 3.78Å; W29-H299 AromaticContact CZ2-ND1 3.53Å; W29-H299 AromaticContact NE1-CE1 3.54Å; W29-H299 AromaticContact NE1-ND1 3.61Å
30	G	65.9	Low	59.3	Low	32 Å²	32	99.5 Å²	99.5	33%	0.33	51%	0.511	S	S	.	.	S	Bend	trans	85.9	-145.7	177.5	0	0	0	0	0	113.4	H299	G30-H299 WeakPolarHBondContact CA-O 3.27Å
31	R	72.3	Confident	62.4	Low	8 Å²	8	94.8 Å²	94.8	3%	0.03	49%	0.491	C	S	.	.	S	Bend	trans	-57.6	155.9	175.4	60	172.2	-89.2	169.1	-8.1	112.7	K210 T212 Y217 N218 M221 G222	R31-K210 HydrophobicContact CG-CD 3.81Å; R31-K210 PolarHBondContact O-NZ 3.35Å; R31-T212 PolarHBondContact NH2-OG1 3.41Å; R31-Y217 VanDerWaalsContact CZ-CE1 3.47Å; R31-Y217 PolarHBondContact NH1-O 3.38Å; R31-N218 PolarHBondContact NH2-OD1 3.19Å; R31-M221 HydrophobicContact CB-CE 4.38Å; R31-G222 WeakPolarHBondContact CD-O 3.32Å; R31-G222 PolarHBondContact NH1-O 3.45Å
32	A	68.3	Low	65.3	Low	46 Å²	46	90 Å²	90	38%	0.38	47%	0.469	S	S	.	.			trans	-61.7	143.9	179.3	0	0	0	0	0	112	E34	A32-E34 WeakPolarHBondContact CB-O 3.34Å
33	W	68.8	Low	68.3	Low	103 Å²	103	80.1 Å²	80.1	39%	0.39	43%	0.432	S	S	.	.	S	Bend	trans	-85.9	-25.3	174.3	-71.1	96.6	0	0	0	112.4	Q26 G27 K210 T212	Q26-W33 PolarHBondContact O-NE1 3.2Å; G27-W33 PolarHBondContact O-NE1 3.09Å; W33-K210 HydrophobicContact CD2-CD 4.18Å; W33-K210 VanDerWaalsContact CE2-CE 3.42Å; W33-K210 VanDerWaalsContact CE2-NZ 3.28Å; W33-K210 HydrophobicContact CE3-CD 4.48Å; W33-K210 HydrophobicContact CE3-CG 4.37Å; W33-K210 HydrophobicContact CH2-CD 4.3Å; W33-K210 HydrophobicContact CH2-CG 3.77Å; W33-K210 HydrophobicContact CZ2-CD 4Å; W33-K210 VanDerWaalsContact CZ2-CE 3.45Å; W33-K210 HydrophobicContact CZ2-CG 3.93Å; W33-K210 HydrophobicContact CZ3-CB 4.4Å; W33-K210 HydrophobicContact CZ3-CG 4Å; W33-T212 WeakPolarHBondContact O-CG2 3.45Å
34	E	74.8	Confident	71.3	Confident	169 Å²	169	77.6 Å²	77.6	79%	0.79	41%	0.414	S	S	*	.	S	Bend	trans	-114	141.3	175.2	-65.1	-179.8	-179	0	0	108.8	A32	A32-E34 WeakPolarHBondContact CB-O 3.34Å
35	V	77.9	Confident	74.4	Confident	41 Å²	41	79.4 Å²	79.4	25%	0.248	41%	0.409	C	S	.	.			trans	-107.8	107.4	-177.6	-175.4	0	0	0	0	107.7	L40 T212 N214 Y217	V35-L40 HydrophobicContact CG1-CB 3.83Å; V35-T212 HydrophobicContact CG2-CG2 4.08Å; V35-N214 HydrophobicContact CG2-CB 4.43Å; V35-Y217 HydrophobicContact CB-CD2 4.41Å; V35-Y217 HydrophobicContact CB-CG 4.33Å; V35-Y217 HydrophobicContact CG1-CD2 3.65Å; V35-Y217 HydrophobicContact CG1-CE2 4.24Å; V35-Y217 HydrophobicContact CG1-CG 3.89Å; V35-Y217 HydrophobicContact CG2-CD1 3.36Å; V35-Y217 HydrophobicContact CG2-CD2 3.88Å; V35-Y217 HydrophobicContact CG2-CE1 3.82Å; V35-Y217 HydrophobicContact CG2-CE2 4.28Å; V35-Y217 HydrophobicContact CG2-CG 3.42Å; V35-Y217 VanDerWaalsContact CG2-CG 3.42Å
36	D	87.6	Confident	77.1	Confident	80 Å²	80	79.5 Å²	79.5	43%	0.428	40%	0.403	S	S	.	.			trans	-71.8	157	169.2	71.6	88	0	0	0	110.5	F38 S39 L40	D36-F38 VanDerWaalsContact C-N 3.27Å; D36-F38 PolarHBondContact O-N 3.28Å; D36-F38 WeakPolarHBondContact OD1-CA 3.48Å; D36-F38 VanDerWaalsContact OD1-CB 3.29Å; D36-F38 WeakPolarHBondContact OD1-CB 3.26Å; D36-F38 PolarHBondContact OD1-N 3.09Å; D36-S39 WeakPolarHBondContact O-CB 3.28Å; D36-S39 PolarHBondContact O-N 2.98Å; D36-S39 PolarHBondContact OD1-N 3.45Å; D36-S39 WeakPolarHBondContact OD2-CB 3.49Å; D36-S39 PolarHBondContact OD2-OG 3.11Å; D36-L40 PolarHBondContact O-N 3.47Å
37	W	87.6	Confident	79.7	Confident	211 Å²	211	73.6 Å²	73.6	80%	0.799	38%	0.376	S	S	*	.	H	α-helix	trans	-62.6	-33.5	-175.3	-179.4	84.3	0	0	0	112.9	L40 A41	W37-L40 PolarHBondContact O-N 2.91Å; W37-A41 WeakPolarHBondContact O-CB 3.4Å; W37-A41 PolarHBondContact O-N 2.93Å
38	F	88.7	Confident	82.3	Confident	144 Å²	144	76.5 Å²	76.5	63%	0.632	38%	0.382	S	S	*	.	H	α-helix	trans	-69.7	-42.1	178.6	178.7	-93.2	0	0	0	111.3	D36 L40 A41 S42	D36-F38 VanDerWaalsContact C-N 3.27Å; D36-F38 PolarHBondContact O-N 3.28Å; D36-F38 WeakPolarHBondContact OD1-CA 3.48Å; D36-F38 VanDerWaalsContact OD1-CB 3.29Å; D36-F38 WeakPolarHBondContact OD1-CB 3.26Å; D36-F38 PolarHBondContact OD1-N 3.09Å; F38-L40 VanDerWaalsContact C-N 3.34Å; F38-A41 PolarHBondContact O-N 2.88Å; F38-S42 WeakPolarHBondContact O-CB 3.4Å; F38-S42 PolarHBondContact O-N 3.04Å; F38-S42 PolarHBondContact O-OG 3.47Å
39	S	86.6	Confident	84.2	Confident	35 Å²	35	72.9 Å²	72.9	25%	0.245	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-45.4	171.3	-73.2	0	0	0	0	111.3	D36 S42 V43	D36-S39 WeakPolarHBondContact O-CB 3.28Å; D36-S39 PolarHBondContact O-N 2.98Å; D36-S39 PolarHBondContact OD1-N 3.45Å; D36-S39 WeakPolarHBondContact OD2-CB 3.49Å; D36-S39 PolarHBondContact OD2-OG 3.11Å; S39-S42 PolarHBondContact O-N 3.49Å; S39-V43 WeakPolarHBondContact O-CB 3.4Å; S39-V43 VanDerWaalsContact O-CG2 3.29Å; S39-V43 WeakPolarHBondContact O-CG2 3.23Å; S39-V43 PolarHBondContact O-N 2.76Å
40	L	90.6	Very high	86.1	Confident	35 Å²	35	69.4 Å²	69.4	18%	0.183	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-47.1	178.1	-178.2	58.3	0	0	0	112.2	V35 D36 W37 F38 S42 V43 I44 N214 F216	V35-L40 HydrophobicContact CG1-CB 3.83Å; D36-L40 PolarHBondContact O-N 3.47Å; W37-L40 PolarHBondContact O-N 2.91Å; F38-L40 VanDerWaalsContact C-N 3.34Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.4Å; L40-V43 PolarHBondContact O-N 2.89Å; L40-I44 HydrophobicContact CD1-CD1 3.96Å; L40-I44 HydrophobicContact CD1-CG1 4.22Å; L40-I44 HydrophobicContact CG-CD1 3.94Å; L40-I44 WeakPolarHBondContact O-CG1 3.44Å; L40-I44 PolarHBondContact O-N 3.09Å; L40-N214 WeakPolarHBondContact CD1-ND2 3.43Å; L40-N214 VanDerWaalsContact CD1-OD1 3.28Å; L40-N214 WeakPolarHBondContact CD1-OD1 3.34Å; L40-N214 WeakPolarHBondContact CD2-ND2 3.33Å; L40-F216 HydrophobicContact CD1-CB 4.26Å
41	A	92.9	Very high	87.5	Confident	38 Å²	38	68.9 Å²	68.9	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-43.2	177.3	0	0	0	0	0	111.4	W37 F38 I44 F45	W37-A41 WeakPolarHBondContact O-CB 3.4Å; W37-A41 PolarHBondContact O-N 2.93Å; F38-A41 PolarHBondContact O-N 2.88Å; A41-I44 PolarHBondContact O-N 2.89Å; A41-F45 WeakPolarHBondContact O-CB 3.43Å; A41-F45 PolarHBondContact O-N 3.18Å
42	S	91.8	Very high	88.6	Confident	42 Å²	42	74.8 Å²	74.8	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-42.4	176.1	-59.4	0	0	0	0	112.1	F38 S39 L40 F45 L46	F38-S42 WeakPolarHBondContact O-CB 3.4Å; F38-S42 PolarHBondContact O-N 3.04Å; F38-S42 PolarHBondContact O-OG 3.47Å; S39-S42 PolarHBondContact O-N 3.49Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.4Å; S42-F45 PolarHBondContact O-N 3.28Å; S42-L46 VanDerWaalsContact O-CG 3.32Å; S42-L46 WeakPolarHBondContact O-CG 3.4Å; S42-L46 PolarHBondContact O-N 3.39Å
43	V	92.8	Very high	89.9	Confident	10 Å²	10	75.3 Å²	75.3	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-48.6	176.1	162.8	0	0	0	0	111.3	S39 L40 F45 L46 L47 F216 Y217 M220	S39-V43 WeakPolarHBondContact O-CB 3.4Å; S39-V43 VanDerWaalsContact O-CG2 3.29Å; S39-V43 WeakPolarHBondContact O-CG2 3.23Å; S39-V43 PolarHBondContact O-N 2.76Å; L40-V43 PolarHBondContact O-N 2.89Å; V43-F45 VanDerWaalsContact C-N 3.32Å; V43-F45 PolarHBondContact O-N 3.28Å; V43-L46 PolarHBondContact O-N 3.13Å; V43-L47 HydrophobicContact CG1-CD1 3.8Å; V43-L47 HydrophobicContact CG1-CG 4.38Å; V43-L47 WeakPolarHBondContact O-CB 3.25Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.37Å; V43-F216 HydrophobicContact CG1-CB 4.37Å; V43-Y217 HydrophobicContact CG2-CD2 3.8Å; V43-Y217 HydrophobicContact CG2-CE2 4.28Å; V43-M220 HydrophobicContact CB-CB 4.44Å; V43-M220 HydrophobicContact CB-CG 4.33Å; V43-M220 HydrophobicContact CG1-CB 3.41Å; V43-M220 VanDerWaalsContact CG1-CB 3.41Å; V43-M220 HydrophobicContact CG1-CG 3.74Å; V43-M220 HydrophobicContact CG2-CB 4.24Å; V43-M220 HydrophobicContact CG2-CG 3.92Å
44	I	93.9	Very high	91.3	Very high	59 Å²	59	70.4 Å²	70.4	30%	0.303	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-43.3	179.3	-68.7	170.1	0	0	0	110.2	L40 A41 L46 L47 L48 F216	L40-I44 HydrophobicContact CD1-CD1 3.96Å; L40-I44 HydrophobicContact CD1-CG1 4.22Å; L40-I44 HydrophobicContact CG-CD1 3.94Å; L40-I44 WeakPolarHBondContact O-CG1 3.44Å; L40-I44 PolarHBondContact O-N 3.09Å; A41-I44 PolarHBondContact O-N 2.89Å; I44-L46 PolarHBondContact O-N 2.98Å; I44-L47 PolarHBondContact O-N 3.11Å; I44-L48 HydrophobicContact CG2-CD1 3.85Å; I44-L48 HydrophobicContact CG2-CG 4.45Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 WeakPolarHBondContact O-CG 3.34Å; I44-L48 PolarHBondContact O-N 3.4Å; I44-F216 HydrophobicContact CD1-CD2 4.31Å; I44-F216 HydrophobicContact CG1-CB 4.22Å; I44-F216 HydrophobicContact CG1-CD2 4.37Å; I44-F216 HydrophobicContact CG1-CG 4.21Å
45	F	94.6	Very high	92.4	Very high	112 Å²	112	63.8 Å²	63.8	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-49.8	175.1	179	-90.8	0	0	0	111.5	A41 S42 V43 L47 L48 F49	A41-F45 WeakPolarHBondContact O-CB 3.43Å; A41-F45 PolarHBondContact O-N 3.18Å; S42-F45 PolarHBondContact O-N 3.28Å; V43-F45 VanDerWaalsContact C-N 3.32Å; V43-F45 PolarHBondContact O-N 3.28Å; F45-L47 PolarHBondContact O-N 3.32Å; F45-L48 PolarHBondContact O-N 3.06Å; F45-F49 HydrophobicContact CD1-CD2 4.44Å; F45-F49 AromaticContact CD2-CD2 3.33Å; F45-F49 HydrophobicContact CD2-CD2 3.33Å; F45-F49 AromaticContact CD2-CE2 3.64Å; F45-F49 HydrophobicContact CD2-CE2 3.64Å; F45-F49 HydrophobicContact CD2-CG 4.32Å; F45-F49 HydrophobicContact CE1-CB 4.38Å; F45-F49 HydrophobicContact CE2-CB 4.47Å; F45-F49 AromaticContact CE2-CD2 3.42Å; F45-F49 HydrophobicContact CE2-CD2 3.42Å; F45-F49 VanDerWaalsContact CE2-CD2 3.42Å; F45-F49 AromaticContact CE2-CE2 3.81Å; F45-F49 HydrophobicContact CE2-CE2 3.81Å; F45-F49 HydrophobicContact CE2-CG 4.03Å; F45-F49 AromaticContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CZ-CB 4.24Å; F45-F49 HydrophobicContact CZ-CD2 4.03Å; F45-F49 HydrophobicContact CZ-CG 4.26Å; F45-F49 WeakPolarHBondContact O-CB 3.43Å; F45-F49 VanDerWaalsContact O-CD2 3.26Å; F45-F49 WeakPolarHBondContact O-CD2 3.36Å; F45-F49 PolarHBondContact O-N 2.99Å
46	L	94.2	Very high	93.3	Very high	71 Å²	71	65 Å²	65	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-43	-179.4	-71.2	172.5	0	0	0	112.4	S42 V43 I44 L48 F49 A50 M220	S42-L46 VanDerWaalsContact O-CG 3.32Å; S42-L46 WeakPolarHBondContact O-CG 3.4Å; S42-L46 PolarHBondContact O-N 3.39Å; V43-L46 PolarHBondContact O-N 3.13Å; I44-L46 PolarHBondContact O-N 2.98Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.46Å; L46-F49 PolarHBondContact O-N 3.24Å; L46-A50 WeakPolarHBondContact O-CB 3.31Å; L46-A50 PolarHBondContact O-N 3.31Å; L46-M220 HydrophobicContact CB-CE 3.88Å; L46-M220 HydrophobicContact CD1-CE 3.77Å; L46-M220 HydrophobicContact CG-CE 4.49Å
47	L	94	Very high	93.8	Very high	20 Å²	20	61.8 Å²	61.8	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-35.2	177.4	-75.7	171.4	0	0	0	112.7	V43 I44 F45 Y189 F216 Y219 M220 W304	V43-L47 HydrophobicContact CG1-CD1 3.8Å; V43-L47 HydrophobicContact CG1-CG 4.38Å; V43-L47 WeakPolarHBondContact O-CB 3.25Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.37Å; I44-L47 PolarHBondContact O-N 3.11Å; F45-L47 PolarHBondContact O-N 3.32Å; L47-Y189 PolarHBondContact O-OH 2.84Å; L47-F216 HydrophobicContact CD1-CB 4.28Å; L47-F216 HydrophobicContact CD1-CD1 4.23Å; L47-Y219 HydrophobicContact CD1-CD1 4.48Å; L47-Y219 HydrophobicContact CD2-CD1 3.92Å; L47-Y219 HydrophobicContact CD2-CE1 4.09Å; L47-M220 HydrophobicContact CD1-CB 4.35Å; L47-M220 HydrophobicContact CD2-SD 3.88Å; L47-M220 HydrophobicContact CG-SD 4Å; L47-W304 HydrophobicContact CD2-CB 4.17Å; L47-W304 HydrophobicContact CD2-CD2 3.53Å; L47-W304 HydrophobicContact CD2-CE3 3.7Å; L47-W304 HydrophobicContact CD2-CG 3.78Å; L47-W304 HydrophobicContact CD2-CZ3 4.26Å
48	L	93.3	Very high	94.2	Very high	99 Å²	99	51.8 Å²	51.8	52%	0.518	26%	0.259	S	S	.	.	H	α-helix	trans	-81.1	-46.2	179.1	-70	174.5	0	0	0	112.1	I44 F45 L46 F52	I44-L48 HydrophobicContact CG2-CD1 3.85Å; I44-L48 HydrophobicContact CG2-CG 4.45Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 WeakPolarHBondContact O-CG 3.34Å; I44-L48 PolarHBondContact O-N 3.4Å; F45-L48 PolarHBondContact O-N 3.06Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.46Å; L48-F52 WeakPolarHBondContact O-CD2 3.3Å; L48-F52 WeakPolarHBondContact O-CE2 3.15Å
49	F	95.3	Very high	94.6	Very high	97 Å²	97	45.1 Å²	45.1	43%	0.425	23%	0.23	S	C	.	.	H	α-helix	trans	-100	-25.9	-164.8	-67.7	-74.8	0	0	0	115	F45 L46 F52 I53	F45-F49 HydrophobicContact CD1-CD2 4.44Å; F45-F49 AromaticContact CD2-CD2 3.33Å; F45-F49 HydrophobicContact CD2-CD2 3.33Å; F45-F49 AromaticContact CD2-CE2 3.64Å; F45-F49 HydrophobicContact CD2-CE2 3.64Å; F45-F49 HydrophobicContact CD2-CG 4.32Å; F45-F49 HydrophobicContact CE1-CB 4.38Å; F45-F49 HydrophobicContact CE2-CB 4.47Å; F45-F49 AromaticContact CE2-CD2 3.42Å; F45-F49 HydrophobicContact CE2-CD2 3.42Å; F45-F49 VanDerWaalsContact CE2-CD2 3.42Å; F45-F49 AromaticContact CE2-CE2 3.81Å; F45-F49 HydrophobicContact CE2-CE2 3.81Å; F45-F49 HydrophobicContact CE2-CG 4.03Å; F45-F49 AromaticContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CZ-CB 4.24Å; F45-F49 HydrophobicContact CZ-CD2 4.03Å; F45-F49 HydrophobicContact CZ-CG 4.26Å; F45-F49 WeakPolarHBondContact O-CB 3.43Å; F45-F49 VanDerWaalsContact O-CD2 3.26Å; F45-F49 WeakPolarHBondContact O-CD2 3.36Å; F45-F49 PolarHBondContact O-N 2.99Å; L46-F49 PolarHBondContact O-N 3.24Å; F49-F52 WeakPolarHBondContact O-CA 3.2Å; F49-F52 WeakPolarHBondContact O-CB 3.44Å; F49-F52 PolarHBondContact O-N 3.3Å; F49-I53 WeakPolarHBondContact O-CG1 3.29Å; F49-I53 PolarHBondContact O-N 3.45Å
50	A	96	Very high	95.1	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-38.1	-175.3	0	0	0	0	0	114.4	L46 F52 I53 V54 W304 W308	L46-A50 WeakPolarHBondContact O-CB 3.31Å; L46-A50 PolarHBondContact O-N 3.31Å; A50-F52 VanDerWaalsContact C-N 3.3Å; A50-F52 PolarHBondContact O-N 3Å; A50-I53 WeakPolarHBondContact O-CB 3.44Å; A50-I53 PolarHBondContact O-N 3.21Å; A50-V54 PolarHBondContact O-N 3.45Å; A50-V54 VanDerWaalsContact O-N 3.15Å; A50-W304 HydrophobicContact CB-CH2 4Å; A50-W308 HydrophobicContact CB-CH2 3.91Å; A50-W308 HydrophobicContact CB-CZ3 3.97Å
51	P	96.3	Very high	95.4	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.143	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-39.1	169.6	-23.7	33.3	0	0	0	113.5	I53 V54 Y55 Y189 W304 W308	P51-I53 VanDerWaalsContact C-N 3.34Å; P51-V54 PolarHBondContact O-N 2.86Å; P51-Y55 WeakPolarHBondContact O-CB 3.28Å; P51-Y55 PolarHBondContact O-N 3.31Å; P51-Y189 HydrophobicContact CG-CE2 4.35Å; P51-Y189 VanDerWaalsContact CG-OH 3.26Å; P51-Y189 WeakPolarHBondContact CG-OH 3.27Å; P51-W304 HydrophobicContact CG-CZ2 4.12Å; P51-W308 HydrophobicContact CB-CZ2 4.21Å; P51-W308 HydrophobicContact CG-CZ2 4.06Å
52	F	95.3	Very high	95.5	Very high	131 Å²	131	43 Å²	43	58%	0.575	21%	0.211	S	C	*	.	H	α-helix	trans	-68.6	-32.6	176.3	-65.3	-71.1	0	0	0	112.3	L48 F49 A50 Y55 Y56	L48-F52 WeakPolarHBondContact O-CD2 3.3Å; L48-F52 WeakPolarHBondContact O-CE2 3.15Å; F49-F52 WeakPolarHBondContact O-CA 3.2Å; F49-F52 WeakPolarHBondContact O-CB 3.44Å; F49-F52 PolarHBondContact O-N 3.3Å; A50-F52 VanDerWaalsContact C-N 3.3Å; A50-F52 PolarHBondContact O-N 3Å; F52-Y55 PolarHBondContact O-N 2.72Å; F52-Y56 WeakPolarHBondContact O-CB 3.35Å; F52-Y56 PolarHBondContact O-N 3.33Å
53	I	96	Very high	95.8	Very high	57 Å²	57	43 Å²	43	29%	0.292	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-52.4	172.8	-65.3	170.9	0	0	0	109.5	F49 A50 P51 Y55 Y56 F57 W313	F49-I53 WeakPolarHBondContact O-CG1 3.29Å; F49-I53 PolarHBondContact O-N 3.45Å; A50-I53 WeakPolarHBondContact O-CB 3.44Å; A50-I53 PolarHBondContact O-N 3.21Å; P51-I53 VanDerWaalsContact C-N 3.34Å; I53-Y55 VanDerWaalsContact C-N 3.34Å; I53-Y55 PolarHBondContact O-N 2.97Å; I53-Y56 WeakPolarHBondContact O-CB 3.32Å; I53-Y56 PolarHBondContact O-N 2.88Å; I53-F57 HydrophobicContact CG2-CD2 4.03Å; I53-F57 HydrophobicContact CG2-CE2 3.98Å; I53-F57 VanDerWaalsContact O-CD2 3.28Å; I53-F57 WeakPolarHBondContact O-CD2 3.27Å; I53-F57 PolarHBondContact O-N 3.05Å; I53-F57 VanDerWaalsContact O-N 3.08Å; I53-W313 HydrophobicContact CG2-CH2 4.43Å; I53-W313 HydrophobicContact CG2-CZ3 4.3Å
54	V	97.5	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-48	179.3	-179.8	0	0	0	0	110.6	A50 P51 Y56 F57 I58 L181 W308 V312 W313 Y316 L317	A50-V54 PolarHBondContact O-N 3.45Å; A50-V54 VanDerWaalsContact O-N 3.15Å; P51-V54 PolarHBondContact O-N 2.86Å; V54-Y56 VanDerWaalsContact C-N 3.32Å; V54-Y56 PolarHBondContact O-N 3.3Å; V54-F57 PolarHBondContact O-N 2.76Å; V54-I58 HydrophobicContact CG1-CG1 4.41Å; V54-I58 WeakPolarHBondContact O-CG1 3.34Å; V54-I58 PolarHBondContact O-N 3.09Å; V54-I58 VanDerWaalsContact O-N 3.08Å; V54-L181 HydrophobicContact CG1-CD1 3.73Å; V54-W308 HydrophobicContact CG2-CH2 3.64Å; V54-W308 HydrophobicContact CG2-CZ2 4Å; V54-V312 HydrophobicContact CB-CG1 4.37Å; V54-V312 HydrophobicContact CG1-CG1 4Å; V54-V312 HydrophobicContact CG2-CG1 4.21Å; V54-W313 HydrophobicContact CG2-CE3 4.07Å; V54-W313 HydrophobicContact CG2-CZ3 4.49Å; V54-Y316 HydrophobicContact CG1-CG 4.17Å; V54-L317 HydrophobicContact CG2-CD1 3.79Å; V54-L317 HydrophobicContact CG2-CG 4.17Å
55	Y	97.2	Very high	96.1	Very high	30 Å²	30	44.7 Å²	44.7	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-53.8	-47.6	175.8	171.2	-94.2	0	0	0	112.3	P51 F52 I53 F57 I58 M59 W86 T89 W182	P51-Y55 WeakPolarHBondContact O-CB 3.28Å; P51-Y55 PolarHBondContact O-N 3.31Å; F52-Y55 PolarHBondContact O-N 2.72Å; I53-Y55 VanDerWaalsContact C-N 3.34Å; I53-Y55 PolarHBondContact O-N 2.97Å; Y55-F57 PolarHBondContact O-N 3.37Å; Y55-I58 PolarHBondContact O-N 2.88Å; Y55-M59 HydrophobicContact CD1-CG 4.1Å; Y55-M59 HydrophobicContact CD2-CG 3.97Å; Y55-M59 HydrophobicContact CE1-CG 3.65Å; Y55-M59 HydrophobicContact CE2-CE 4.5Å; Y55-M59 HydrophobicContact CE2-CG 3.52Å; Y55-M59 HydrophobicContact CE2-SD 3.83Å; Y55-M59 HydrophobicContact CG-CG 4.25Å; Y55-M59 WeakPolarHBondContact O-CG 3.42Å; Y55-M59 PolarHBondContact O-N 3.47Å; Y55-W86 HydrophobicContact CE2-CE3 4.24Å; Y55-W86 HydrophobicContact CE2-CZ3 4.08Å; Y55-W86 AromaticContact CZ-CE3 3.89Å; Y55-T89 HydrophobicContact CE2-CG2 3.8Å; Y55-T89 PolarHBondContact OH-OG1 3.28Å; Y55-W182 AromaticContact CD2-CH2 3.59Å; Y55-W182 HydrophobicContact CD2-CH2 3.59Å; Y55-W182 AromaticContact CD2-CZ2 4Å; Y55-W182 HydrophobicContact CD2-CZ2 4Å; Y55-W182 AromaticContact CE2-CH2 3.85Å; Y55-W182 HydrophobicContact CE2-CH2 3.85Å; Y55-W182 AromaticContact CE2-CZ2 3.96Å; Y55-W182 HydrophobicContact CE2-CZ2 3.96Å
56	Y	97	Very high	96.2	Very high	66 Å²	66	39.4 Å²	39.4	26%	0.259	20%	0.195	S	C	.	.	H	α-helix	trans	-57.8	-46.8	179.7	-179.4	-93.6	0	0	0	111.9	F52 I53 V54 I58 M59 A60 L68 P71 V72	F52-Y56 WeakPolarHBondContact O-CB 3.35Å; F52-Y56 PolarHBondContact O-N 3.33Å; I53-Y56 WeakPolarHBondContact O-CB 3.32Å; I53-Y56 PolarHBondContact O-N 2.88Å; V54-Y56 VanDerWaalsContact C-N 3.32Å; V54-Y56 PolarHBondContact O-N 3.3Å; Y56-I58 VanDerWaalsContact C-N 3.35Å; Y56-I58 PolarHBondContact O-N 3.26Å; Y56-M59 PolarHBondContact O-N 3.03Å; Y56-A60 VanDerWaalsContact O-CB 3.24Å; Y56-A60 WeakPolarHBondContact O-CB 3.23Å; Y56-A60 PolarHBondContact O-N 2.7Å; Y56-L68 HydrophobicContact CD1-CD1 3.89Å; Y56-L68 HydrophobicContact CE1-CD1 3.49Å; Y56-L68 VanDerWaalsContact CE1-CD1 3.49Å; Y56-L68 HydrophobicContact CE1-CG 3.98Å; Y56-L68 WeakPolarHBondContact CE1-O 3.48Å; Y56-L68 PolarHBondContact OH-O 3.03Å; Y56-P71 HydrophobicContact CE2-CB 3.8Å; Y56-P71 HydrophobicContact CE2-CG 4.02Å; Y56-V72 HydrophobicContact CE2-CG2 4.3Å; Y56-V72 WeakPolarHBondContact OH-CG2 3.18Å
57	F	97.7	Very high	96.3	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-42.2	178.2	-87.7	-102.8	0	0	0	112.1	I53 V54 Y55 C61 L68 L317 L320 L428 F431	I53-F57 HydrophobicContact CG2-CD2 4.03Å; I53-F57 HydrophobicContact CG2-CE2 3.98Å; I53-F57 VanDerWaalsContact O-CD2 3.28Å; I53-F57 WeakPolarHBondContact O-CD2 3.27Å; I53-F57 PolarHBondContact O-N 3.05Å; I53-F57 VanDerWaalsContact O-N 3.08Å; V54-F57 PolarHBondContact O-N 2.76Å; Y55-F57 PolarHBondContact O-N 3.37Å; F57-C61 PolarHBondContact O-N 2.77Å; F57-C61 VanDerWaalsContact O-N 3.17Å; F57-L68 HydrophobicContact CD1-CD1 3.95Å; F57-L68 HydrophobicContact CD2-CD1 4.21Å; F57-L68 HydrophobicContact CE1-CD1 3.71Å; F57-L68 HydrophobicContact CE1-CD2 4.23Å; F57-L68 HydrophobicContact CE2-CD1 4.02Å; F57-L68 HydrophobicContact CG-CD1 4.2Å; F57-L68 HydrophobicContact CZ-CD1 3.76Å; F57-L68 HydrophobicContact CZ-CD2 4Å; F57-L317 HydrophobicContact CB-CD2 3.99Å; F57-L317 HydrophobicContact CD1-CD2 4.32Å; F57-L317 HydrophobicContact CD2-CD2 4.5Å; F57-L317 HydrophobicContact CG-CD2 4.01Å; F57-L320 HydrophobicContact CB-CD2 4.33Å; F57-L320 HydrophobicContact CD1-CD1 3.69Å; F57-L320 HydrophobicContact CD1-CD2 4.24Å; F57-L320 HydrophobicContact CE1-CD1 4.12Å; F57-L428 HydrophobicContact CD1-CD1 4.19Å; F57-L428 HydrophobicContact CD1-CG 4.09Å; F57-L428 HydrophobicContact CE1-CG 4.45Å; F57-F431 HydrophobicContact CD1-CG 4.45Å; F57-F431 HydrophobicContact CE1-CB 3.44Å; F57-F431 VanDerWaalsContact CE1-CB 3.44Å; F57-F431 AromaticContact CE1-CD1 3.97Å; F57-F431 HydrophobicContact CE1-CD1 3.97Å; F57-F431 AromaticContact CE1-CD2 3.87Å; F57-F431 HydrophobicContact CE1-CD2 3.87Å; F57-F431 AromaticContact CE1-CG 3.46Å; F57-F431 HydrophobicContact CE1-CG 3.46Å; F57-F431 VanDerWaalsContact CE1-CG 3.46Å; F57-F431 HydrophobicContact CE2-CD2 4.16Å; F57-F431 HydrophobicContact CE2-CE2 4.26Å; F57-F431 HydrophobicContact CE2-CG 4.45Å; F57-F431 HydrophobicContact CZ-CB 3.81Å; F57-F431 HydrophobicContact CZ-CD1 4.12Å; F57-F431 AromaticContact CZ-CD2 3.32Å; F57-F431 HydrophobicContact CZ-CD2 3.32Å; F57-F431 AromaticContact CZ-CE2 3.87Å; F57-F431 HydrophobicContact CZ-CE2 3.87Å; F57-F431 AromaticContact CZ-CG 3.45Å; F57-F431 HydrophobicContact CZ-CG 3.45Å; F57-F431 VanDerWaalsContact CZ-CG 3.45Å; F57-F431 HydrophobicContact CZ-CZ 4.47Å
58	I	97.5	Very high	96.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-43.5	178.7	-58.6	-44.9	0	0	0	111.3	V54 Y55 Y56 C61 D62 W177 I178 L181 Y316 L323	V54-I58 HydrophobicContact CG1-CG1 4.41Å; V54-I58 WeakPolarHBondContact O-CG1 3.34Å; V54-I58 PolarHBondContact O-N 3.09Å; V54-I58 VanDerWaalsContact O-N 3.08Å; Y55-I58 PolarHBondContact O-N 2.88Å; Y56-I58 VanDerWaalsContact C-N 3.35Å; Y56-I58 PolarHBondContact O-N 3.26Å; I58-C61 PolarHBondContact O-N 2.95Å; I58-D62 WeakPolarHBondContact O-CB 3.17Å; I58-D62 PolarHBondContact O-N 3.47Å; I58-W177 HydrophobicContact CD1-CZ2 4.48Å; I58-I178 HydrophobicContact CG2-CD1 4.45Å; I58-I178 HydrophobicContact CG2-CG1 3.73Å; I58-L181 HydrophobicContact CB-CD2 4.41Å; I58-L181 HydrophobicContact CG1-CD2 4.2Å; I58-Y316 HydrophobicContact CD1-CD1 4Å; I58-Y316 HydrophobicContact CG1-CD1 4Å; I58-L323 HydrophobicContact CD1-CD2 3.85Å
59	M	96.6	Very high	96.5	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-68.6	-34.7	177.4	-64.9	-54.4	87.3	0	0	112.7	Y55 Y56 C61 D62 Q63 I85 T89 I178	Y55-M59 HydrophobicContact CD1-CG 4.1Å; Y55-M59 HydrophobicContact CD2-CG 3.97Å; Y55-M59 HydrophobicContact CE1-CG 3.65Å; Y55-M59 HydrophobicContact CE2-CE 4.5Å; Y55-M59 HydrophobicContact CE2-CG 3.52Å; Y55-M59 HydrophobicContact CE2-SD 3.83Å; Y55-M59 HydrophobicContact CG-CG 4.25Å; Y55-M59 WeakPolarHBondContact O-CG 3.42Å; Y55-M59 PolarHBondContact O-N 3.47Å; Y56-M59 PolarHBondContact O-N 3.03Å; M59-C61 PolarHBondContact O-N 3.38Å; M59-D62 HydrophobicContact CE-CB 4.49Å; M59-D62 PolarHBondContact O-N 3.01Å; M59-Q63 WeakPolarHBondContact O-CB 3.26Å; M59-Q63 PolarHBondContact O-N 3.3Å; M59-I85 HydrophobicContact CB-CG2 4.48Å; M59-T89 HydrophobicContact SD-CG2 3.98Å; M59-T89 PolarHBondContact SD-OG1 2.95Å; M59-T89 VanDerWaalsContact SD-OG1 3.4Å; M59-I178 HydrophobicContact CE-CB 4.45Å; M59-I178 HydrophobicContact CE-CD1 3.44Å; M59-I178 VanDerWaalsContact CE-CD1 3.44Å; M59-I178 HydrophobicContact CE-CG1 3.64Å; M59-I178 HydrophobicContact CE-CG2 3.97Å
60	A	97.2	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-36.8	172.5	0	0	0	0	0	111	Y56 Y64 S65 C66 L68 P71 L428	Y56-A60 VanDerWaalsContact O-CB 3.24Å; Y56-A60 WeakPolarHBondContact O-CB 3.23Å; Y56-A60 PolarHBondContact O-N 2.7Å; A60-Y64 CarbonylContact O-C 3.44Å; A60-Y64 VanDerWaalsContact O-C 3.24Å; A60-Y64 WeakPolarHBondContact O-CA 3.41Å; A60-Y64 VanDerWaalsContact O-CB 3.26Å; A60-Y64 WeakPolarHBondContact O-CB 3.37Å; A60-Y64 PolarHBondContact O-N 2.93Å; A60-S65 PolarHBondContact O-N 3.45Å; A60-C66 VanDerWaalsContact O-CA 3.23Å; A60-C66 WeakPolarHBondContact O-CA 3.09Å; A60-C66 PolarHBondContact O-N 2.92Å; A60-L68 HydrophobicContact CB-CD1 4.46Å; A60-P71 HydrophobicContact CB-CG 4.14Å; A60-L428 HydrophobicContact CB-CD1 4.42Å
61	C	96.4	Very high	96.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-69.1	-53.8	171.9	-89	0	0	0	0	113.6	F57 I58 M59 S65 C66 L323 Y327 L428	F57-C61 PolarHBondContact O-N 2.77Å; F57-C61 VanDerWaalsContact O-N 3.17Å; I58-C61 PolarHBondContact O-N 2.95Å; M59-C61 PolarHBondContact O-N 3.38Å; C61-S65 PolarHBondContact O-N 3.49Å; C61-C66 WeakPolarHBondContact CA-SG 3.42Å; C61-C66 HydrophobicContact CB-CB 4.19Å; C61-C66 WeakPolarHBondContact CB-SG 3.33Å; C61-C66 PolarHBondContact O-N 2.89Å; C61-C66 WeakPolarHBondContact SG-CB 3.38Å; C61-C66 CovalentContact SG-SG 2.06Å; C61-C66 PolarHBondContact SG-SG 3.1Å; C61-L323 HydrophobicContact CB-CD2 3.87Å; C61-L323 HydrophobicContact CB-CG 4.19Å; C61-Y327 HydrophobicContact CB-CD2 4.44Å; C61-Y327 HydrophobicContact CB-CE2 4.17Å; C61-L428 WeakPolarHBondContact SG-CD1 3.29Å
62	D	95.9	Very high	96.4	Very high	63 Å²	63	36.3 Å²	36.3	34%	0.337	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-47	-174.2	-175.8	73.7	0	0	0	113.3	I58 M59 I178	I58-D62 WeakPolarHBondContact O-CB 3.17Å; I58-D62 PolarHBondContact O-N 3.47Å; M59-D62 HydrophobicContact CE-CB 4.49Å; M59-D62 PolarHBondContact O-N 3.01Å; D62-I178 HydrophobicContact CB-CD1 3.86Å; D62-I178 VanDerWaalsContact CG-CD1 3.41Å
63	Q	96.3	Very high	96.4	Very high	42 Å²	42	33.6 Å²	33.6	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-99.2	-17.7	-171.9	-56.7	-174.4	23.9	0	0	113.8	M59 I85	M59-Q63 WeakPolarHBondContact O-CB 3.26Å; M59-Q63 PolarHBondContact O-N 3.3Å; Q63-I85 PolarHBondContact NE2-O 2.87Å
64	Y	96.8	Very high	96.3	Very high	36 Å²	36	33 Å²	33	14%	0.141	19%	0.186	C	C	.	.	H	α-helix	trans	-130	21.9	-171.7	-68.5	-89.6	0	0	0	113.6	A60 C66 A67 P71 D74 I85	A60-Y64 CarbonylContact O-C 3.44Å; A60-Y64 VanDerWaalsContact O-C 3.24Å; A60-Y64 WeakPolarHBondContact O-CA 3.41Å; A60-Y64 VanDerWaalsContact O-CB 3.26Å; A60-Y64 WeakPolarHBondContact O-CB 3.37Å; A60-Y64 PolarHBondContact O-N 2.93Å; Y64-C66 PolarHBondContact O-N 3.41Å; Y64-C66 VanDerWaalsContact O-N 3.1Å; Y64-A67 VanDerWaalsContact O-CB 3.26Å; Y64-A67 WeakPolarHBondContact O-CB 3.28Å; Y64-A67 PolarHBondContact O-N 2.92Å; Y64-P71 HydrophobicContact CD2-CB 4.34Å; Y64-P71 HydrophobicContact CD2-CG 3.54Å; Y64-P71 HydrophobicContact CE2-CB 4.08Å; Y64-P71 HydrophobicContact CE2-CG 3.79Å; Y64-P71 HydrophobicContact CG-CG 4.03Å; Y64-D74 HydrophobicContact CE1-CB 4.15Å; Y64-D74 WeakPolarHBondContact CE1-OD2 3.37Å; Y64-D74 PolarHBondContact OH-OD2 3.24Å; Y64-I85 HydrophobicContact CE2-CD1 4.43Å; Y64-I85 HydrophobicContact CE2-CG1 4.46Å
65	S	96.3	Very high	96.2	Very high	68 Å²	68	36 Å²	36	48%	0.476	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.5	-179.7	-55.1	0	0	0	0	112.6	A60 C61 A67 H328	A60-S65 PolarHBondContact O-N 3.45Å; C61-S65 PolarHBondContact O-N 3.49Å; S65-A67 PolarHBondContact O-N 3.23Å; S65-H328 PolarHBondContact O-NE2 3.15Å
66	C	97.3	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	15.6	-179.7	-57.7	0	0	0	0	115.6	A60 C61 Y64 L68 Y324 L428	A60-C66 VanDerWaalsContact O-CA 3.23Å; A60-C66 WeakPolarHBondContact O-CA 3.09Å; A60-C66 PolarHBondContact O-N 2.92Å; C61-C66 WeakPolarHBondContact CA-SG 3.42Å; C61-C66 HydrophobicContact CB-CB 4.19Å; C61-C66 WeakPolarHBondContact CB-SG 3.33Å; C61-C66 PolarHBondContact O-N 2.89Å; C61-C66 WeakPolarHBondContact SG-CB 3.38Å; C61-C66 CovalentContact SG-SG 2.06Å; C61-C66 PolarHBondContact SG-SG 3.1Å; Y64-C66 PolarHBondContact O-N 3.41Å; Y64-C66 VanDerWaalsContact O-N 3.1Å; C66-L68 PolarHBondContact O-N 3.13Å; C66-L68 VanDerWaalsContact O-N 3.07Å; C66-Y324 HydrophobicContact CB-CD2 3.66Å; C66-Y324 HydrophobicContact CB-CE2 4.21Å; C66-L428 HydrophobicContact CB-CD1 3.98Å; C66-L428 HydrophobicContact CB-CD2 4.26Å; C66-L428 HydrophobicContact CB-CG 4.49Å; C66-L428 WeakPolarHBondContact O-CB 3.31Å
67	A	97.1	Very high	96.1	Very high	26 Å²	26	40.8 Å²	40.8	22%	0.215	24%	0.24	C	C	.	.			trans	-70.6	99.5	167.8	0	0	0	0	0	110.3	Y64 S65 T69 G70 P71	Y64-A67 VanDerWaalsContact O-CB 3.26Å; Y64-A67 WeakPolarHBondContact O-CB 3.28Å; Y64-A67 PolarHBondContact O-N 2.92Å; S65-A67 PolarHBondContact O-N 3.23Å; A67-T69 PolarHBondContact O-N 2.67Å; A67-T69 VanDerWaalsContact O-N 3.12Å; A67-G70 PolarHBondContact O-N 3.11Å; A67-P71 WeakPolarHBondContact O-CD 3.31Å
68	L	95.2	Very high	95.9	Very high	33 Å²	33	43 Å²	43	17%	0.173	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.4	-177.9	-165.4	69	0	0	0	113	Y56 F57 A60 C66 L427 L428	Y56-L68 HydrophobicContact CD1-CD1 3.89Å; Y56-L68 HydrophobicContact CE1-CD1 3.49Å; Y56-L68 VanDerWaalsContact CE1-CD1 3.49Å; Y56-L68 HydrophobicContact CE1-CG 3.98Å; Y56-L68 WeakPolarHBondContact CE1-O 3.48Å; Y56-L68 PolarHBondContact OH-O 3.03Å; F57-L68 HydrophobicContact CD1-CD1 3.95Å; F57-L68 HydrophobicContact CD2-CD1 4.21Å; F57-L68 HydrophobicContact CE1-CD1 3.71Å; F57-L68 HydrophobicContact CE1-CD2 4.23Å; F57-L68 HydrophobicContact CE2-CD1 4.02Å; F57-L68 HydrophobicContact CG-CD1 4.2Å; F57-L68 HydrophobicContact CZ-CD1 3.76Å; F57-L68 HydrophobicContact CZ-CD2 4Å; A60-L68 HydrophobicContact CB-CD1 4.46Å; C66-L68 PolarHBondContact O-N 3.13Å; C66-L68 VanDerWaalsContact O-N 3.07Å; L68-L427 HydrophobicContact CD2-CD2 4.29Å; L68-L428 HydrophobicContact CD1-CD1 4.43Å
69	T	95.8	Very high	95.7	Very high	100 Å²	100	49.9 Å²	49.9	61%	0.613	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.6	174.8	49.6	0	0	0	0	113.2	A67 V72 V73	A67-T69 PolarHBondContact O-N 2.67Å; A67-T69 VanDerWaalsContact O-N 3.12Å; T69-V72 PolarHBondContact O-N 2.98Å; T69-V73 WeakPolarHBondContact O-CG2 3.12Å; T69-V73 PolarHBondContact O-N 2.81Å
70	G	95	Very high	95.4	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-53.3	-56.7	-174.6	0	0	0	0	0	113.6	A67 V72 V73 D74	A67-G70 PolarHBondContact O-N 3.11Å; G70-V72 VanDerWaalsContact C-N 3.28Å; G70-V72 PolarHBondContact O-N 2.9Å; G70-V73 PolarHBondContact O-N 3.35Å; G70-D74 PolarHBondContact O-N 2.97Å
71	P	94.9	Very high	95.2	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-55.5	-41.7	178.5	-24.4	30.8	0	0	0	113.4	Y56 A60 Y64 A67 I75 I85	Y56-P71 HydrophobicContact CE2-CB 3.8Å; Y56-P71 HydrophobicContact CE2-CG 4.02Å; A60-P71 HydrophobicContact CB-CG 4.14Å; Y64-P71 HydrophobicContact CD2-CB 4.34Å; Y64-P71 HydrophobicContact CD2-CG 3.54Å; Y64-P71 HydrophobicContact CE2-CB 4.08Å; Y64-P71 HydrophobicContact CE2-CG 3.79Å; Y64-P71 HydrophobicContact CG-CG 4.03Å; A67-P71 WeakPolarHBondContact O-CD 3.31Å; P71-I75 VanDerWaalsContact O-CD1 3.31Å; P71-I75 WeakPolarHBondContact O-CD1 3.26Å; P71-I75 WeakPolarHBondContact O-CG1 3.36Å; P71-I75 PolarHBondContact O-N 2.82Å; P71-I75 VanDerWaalsContact O-N 3.1Å; P71-I85 HydrophobicContact CB-CD1 4.08Å
72	V	95.1	Very high	95	Very high	75 Å²	75	64.9 Å²	64.9	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-43.8	-179.7	171	0	0	0	0	111	Y56 T69 G70 I75 V76	Y56-V72 HydrophobicContact CE2-CG2 4.3Å; Y56-V72 WeakPolarHBondContact OH-CG2 3.18Å; T69-V72 PolarHBondContact O-N 2.98Å; G70-V72 VanDerWaalsContact C-N 3.28Å; G70-V72 PolarHBondContact O-N 2.9Å; V72-I75 PolarHBondContact O-N 3.44Å; V72-V76 HydrophobicContact CG1-CG2 4.2Å; V72-V76 WeakPolarHBondContact O-CB 3.35Å; V72-V76 VanDerWaalsContact O-CG2 3.26Å; V72-V76 WeakPolarHBondContact O-CG2 3.23Å; V72-V76 PolarHBondContact O-N 2.89Å
73	V	95.8	Very high	94.9	Very high	73 Å²	73	65.2 Å²	65.2	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-47.2	178.3	170.6	0	0	0	0	110.3	T69 G70 I75 V76 T77	T69-V73 WeakPolarHBondContact O-CG2 3.12Å; T69-V73 PolarHBondContact O-N 2.81Å; G70-V73 PolarHBondContact O-N 3.35Å; V73-I75 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 3.24Å; V73-V76 PolarHBondContact O-N 2.95Å; V73-T77 HydrophobicContact CG1-CG2 4.22Å; V73-T77 WeakPolarHBondContact O-CB 3.26Å; V73-T77 VanDerWaalsContact O-CG2 3.31Å; V73-T77 WeakPolarHBondContact O-CG2 3.17Å; V73-T77 PolarHBondContact O-N 2.89Å; V73-T77 PolarHBondContact O-OG1 3.05Å
74	D	94.7	Very high	94.8	Very high	45 Å²	45	66.4 Å²	66.4	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-39.5	178.7	-89.6	18.3	0	0	0	113	Y64 G70 T77 G78 H79 A80	Y64-D74 HydrophobicContact CE1-CB 4.15Å; Y64-D74 WeakPolarHBondContact CE1-OD2 3.37Å; Y64-D74 PolarHBondContact OH-OD2 3.24Å; G70-D74 PolarHBondContact O-N 2.97Å; D74-T77 PolarHBondContact O-OG1 3.49Å; D74-G78 CarbonylContact O-C 3.36Å; D74-G78 PolarHBondContact O-N 2.92Å; D74-H79 HydrophobicContact CB-CB 4.33Å; D74-H79 PolarHBondContact O-N 2.81Å; D74-A80 HydrophobicContact CB-CB 3.94Å; D74-A80 PolarHBondContact O-N 3.39Å; D74-A80 VanDerWaalsContact O-N 3.13Å
75	I	94.7	Very high	94.6	Very high	63 Å²	63	65.3 Å²	65.3	32%	0.323	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-46.9	176.7	-67.9	163.3	0	0	0	111.1	P71 V72 V73 T77 G78 A80 L82 I85	P71-I75 VanDerWaalsContact O-CD1 3.31Å; P71-I75 WeakPolarHBondContact O-CD1 3.26Å; P71-I75 WeakPolarHBondContact O-CG1 3.36Å; P71-I75 PolarHBondContact O-N 2.82Å; P71-I75 VanDerWaalsContact O-N 3.1Å; V72-I75 PolarHBondContact O-N 3.44Å; V73-I75 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 3.24Å; I75-T77 VanDerWaalsContact C-N 3.34Å; I75-T77 PolarHBondContact O-N 3.27Å; I75-G78 PolarHBondContact O-N 3.33Å; I75-A80 WeakPolarHBondContact CA-O 3.3Å; I75-L82 HydrophobicContact CD1-CD2 3.52Å; I75-L82 HydrophobicContact CD1-CG 4.1Å; I75-I85 HydrophobicContact CD1-CD1 3.87Å; I75-I85 HydrophobicContact CG1-CD1 4.21Å
76	V	95.1	Very high	94.5	Very high	119 Å²	119	69.3 Å²	69.3	72%	0.721	38%	0.383	S	S	*	.	H	α-helix	trans	-68.4	-34.5	-177.7	171.1	0	0	0	0	111.7	V72 V73 G78	V72-V76 HydrophobicContact CG1-CG2 4.2Å; V72-V76 WeakPolarHBondContact O-CB 3.35Å; V72-V76 VanDerWaalsContact O-CG2 3.26Å; V72-V76 WeakPolarHBondContact O-CG2 3.23Å; V72-V76 PolarHBondContact O-N 2.89Å; V73-V76 PolarHBondContact O-N 2.95Å; V76-G78 VanDerWaalsContact C-N 3.33Å
77	T	96	Very high	94.5	Very high	77 Å²	77	73.3 Å²	73.3	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-83.4	-9	177.1	55.3	0	0	0	0	113.4	V73 D74 I75 H79	V73-T77 HydrophobicContact CG1-CG2 4.22Å; V73-T77 WeakPolarHBondContact O-CB 3.26Å; V73-T77 VanDerWaalsContact O-CG2 3.31Å; V73-T77 WeakPolarHBondContact O-CG2 3.17Å; V73-T77 PolarHBondContact O-N 2.89Å; V73-T77 PolarHBondContact O-OG1 3.05Å; D74-T77 PolarHBondContact O-OG1 3.49Å; I75-T77 VanDerWaalsContact C-N 3.34Å; I75-T77 PolarHBondContact O-N 3.27Å; T77-H79 VanDerWaalsContact C-N 3.32Å; T77-H79 PolarHBondContact OG1-ND1 2.87Å
78	G	93.6	Very high	94.3	Very high	61 Å²	61	78.9 Å²	78.9	63%	0.629	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	9.7	179.8	0	0	0	0	0	114.8	D74 I75 V76 A80	D74-G78 CarbonylContact O-C 3.36Å; D74-G78 PolarHBondContact O-N 2.92Å; I75-G78 PolarHBondContact O-N 3.33Å; V76-G78 VanDerWaalsContact C-N 3.33Å; G78-A80 VanDerWaalsContact C-N 3.29Å
79	H	93.4	Very high	94.4	Very high	145 Å²	145	78 Å²	78	67%	0.671	43%	0.431	S	S	*	.	S	Bend	trans	-70.9	-24.2	174.2	-64	128.1	0	0	0	112.9	D74 T77	D74-H79 HydrophobicContact CB-CB 4.33Å; D74-H79 PolarHBondContact O-N 2.81Å; T77-H79 VanDerWaalsContact C-N 3.32Å; T77-H79 PolarHBondContact OG1-ND1 2.87Å
80	A	91.9	Very high	94.4	Very high	10 Å²	10	75.3 Å²	75.3	8%	0.083	42%	0.415	C	S	.	.			trans	-142.3	154	172.7	0	0	0	0	0	111.4	D74 I75 G78	D74-A80 HydrophobicContact CB-CB 3.94Å; D74-A80 PolarHBondContact O-N 3.39Å; D74-A80 VanDerWaalsContact O-N 3.13Å; I75-A80 WeakPolarHBondContact CA-O 3.3Å; G78-A80 VanDerWaalsContact C-N 3.29Å
81	R	92.9	Very high	94.5	Very high	183 Å²	183	79.2 Å²	79.2	69%	0.691	44%	0.438	S	S	*	.			trans	-102.9	160.6	165.7	-60.9	177.2	178.6	-176.4	-0.1	109.5	S83 D84 I85	R81-S83 WeakPolarHBondContact CB-OG 3.4Å; R81-S83 PolarHBondContact O-N 2.98Å; R81-D84 WeakPolarHBondContact CB-OD2 3.49Å; R81-D84 PolarHBondContact N-OD2 3.22Å; R81-D84 WeakPolarHBondContact O-CB 3.37Å; R81-D84 PolarHBondContact O-N 2.89Å; R81-I85 PolarHBondContact O-N 2.63Å
82	L	92.1	Very high	94.6	Very high	128 Å²	128	83 Å²	83	67%	0.67	46%	0.458	S	S	*	.	H	α-helix	trans	-54.5	-35	171.3	-72.6	171.3	0	0	0	112.1	I75 D84 I85 W86	I75-L82 HydrophobicContact CD1-CD2 3.52Å; I75-L82 HydrophobicContact CD1-CG 4.1Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 3.41Å; L82-I85 PolarHBondContact O-N 3.1Å; L82-W86 WeakPolarHBondContact O-CB 3.44Å; L82-W86 PolarHBondContact O-N 3.36Å
83	S	93.5	Very high	94.7	Very high	70 Å²	70	81.8 Å²	81.8	49%	0.49	45%	0.45	S	S	.	.	H	α-helix	trans	-61.5	-33.7	174.3	53.6	0	0	0	0	112.9	R81 A87	R81-S83 WeakPolarHBondContact CB-OG 3.4Å; R81-S83 PolarHBondContact O-N 2.98Å; S83-A87 WeakPolarHBondContact O-CB 3.45Å; S83-A87 PolarHBondContact O-N 2.85Å
84	D	93.8	Very high	94.8	Very high	67 Å²	67	87.9 Å²	87.9	36%	0.358	47%	0.466	S	S	.	.	H	α-helix	trans	-76.8	-38.9	-175.5	-52.1	-25.7	0	0	0	110.3	R81 L82 A87 K88	R81-D84 WeakPolarHBondContact CB-OD2 3.49Å; R81-D84 PolarHBondContact N-OD2 3.22Å; R81-D84 WeakPolarHBondContact O-CB 3.37Å; R81-D84 PolarHBondContact O-N 2.89Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 3.41Å; D84-A87 PolarHBondContact O-N 3.49Å; D84-K88 WeakPolarHBondContact O-CG 3.45Å; D84-K88 PolarHBondContact O-N 3.42Å
85	I	93.4	Very high	95	Very high	13 Å²	13	90.9 Å²	90.9	7%	0.067	48%	0.476	C	S	.	.	H	α-helix	trans	-62.6	-47.7	172.2	-61.8	174.6	0	0	0	109.8	M59 Q63 Y64 P71 I75 R81 L82 K88 T89	M59-I85 HydrophobicContact CB-CG2 4.48Å; Q63-I85 PolarHBondContact NE2-O 2.87Å; Y64-I85 HydrophobicContact CE2-CD1 4.43Å; Y64-I85 HydrophobicContact CE2-CG1 4.46Å; P71-I85 HydrophobicContact CB-CD1 4.08Å; I75-I85 HydrophobicContact CD1-CD1 3.87Å; I75-I85 HydrophobicContact CG1-CD1 4.21Å; R81-I85 PolarHBondContact O-N 2.63Å; L82-I85 PolarHBondContact O-N 3.1Å; I85-K88 PolarHBondContact O-N 2.82Å; I85-T89 PolarHBondContact O-N 3.41Å; I85-T89 PolarHBondContact O-OG1 3.4Å; I85-T89 VanDerWaalsContact O-OG1 3.11Å
86	W	94.2	Very high	95.2	Very high	152 Å²	152	87.9 Å²	87.9	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-64.2	-38.9	178.6	-177	-93.8	0	0	0	112.7	Y55 L82 K88 T89 W182	Y55-W86 HydrophobicContact CE2-CE3 4.24Å; Y55-W86 HydrophobicContact CE2-CZ3 4.08Å; Y55-W86 AromaticContact CZ-CE3 3.89Å; L82-W86 WeakPolarHBondContact O-CB 3.44Å; L82-W86 PolarHBondContact O-N 3.36Å; W86-K88 PolarHBondContact O-N 2.85Å; W86-T89 VanDerWaalsContact O-CB 3.23Å; W86-T89 WeakPolarHBondContact O-CB 3.16Å; W86-T89 PolarHBondContact O-N 3.41Å; W86-T89 VanDerWaalsContact O-N 3.09Å; W86-T89 PolarHBondContact O-OG1 3.25Å; W86-W182 HydrophobicContact CH2-CH2 4.04Å; W86-W182 HydrophobicContact CH2-CZ2 4.47Å; W86-W182 HydrophobicContact CZ3-CH2 4.03Å
87	A	95.5	Very high	95.3	Very high	83 Å²	83	83.9 Å²	83.9	69%	0.686	44%	0.44	S	S	*	.	H	α-helix	trans	-64.2	-27.2	178.9	0	0	0	0	0	112.9	S83 D84	S83-A87 WeakPolarHBondContact O-CB 3.45Å; S83-A87 PolarHBondContact O-N 2.85Å; D84-A87 PolarHBondContact O-N 3.49Å
88	K	94.6	Very high	95.4	Very high	143 Å²	143	84.9 Å²	84.9	62%	0.622	44%	0.439	S	S	*	.	H	α-helix	trans	-84.4	-12.8	175.8	-69.9	174.5	-176.2	175.3	0	113.4	D84 I85 W86 P90	D84-K88 WeakPolarHBondContact O-CG 3.45Å; D84-K88 PolarHBondContact O-N 3.42Å; I85-K88 PolarHBondContact O-N 2.82Å; W86-K88 PolarHBondContact O-N 2.85Å; K88-P90 VanDerWaalsContact O-CD 3.27Å; K88-P90 WeakPolarHBondContact O-CD 3.44Å
89	T	96.4	Very high	95.6	Very high	15 Å²	15	84.4 Å²	84.4	9%	0.092	42%	0.422	C	S	.	.	S	Bend	trans	-68.7	121.5	-178.2	-60.6	0	0	0	0	111.2	Y55 M59 I85 W86 I178 W182	Y55-T89 HydrophobicContact CE2-CG2 3.8Å; Y55-T89 PolarHBondContact OH-OG1 3.28Å; M59-T89 HydrophobicContact SD-CG2 3.98Å; M59-T89 PolarHBondContact SD-OG1 2.95Å; M59-T89 VanDerWaalsContact SD-OG1 3.4Å; I85-T89 PolarHBondContact O-N 3.41Å; I85-T89 PolarHBondContact O-OG1 3.4Å; I85-T89 VanDerWaalsContact O-OG1 3.11Å; W86-T89 VanDerWaalsContact O-CB 3.23Å; W86-T89 WeakPolarHBondContact O-CB 3.16Å; W86-T89 PolarHBondContact O-N 3.41Å; W86-T89 VanDerWaalsContact O-N 3.09Å; W86-T89 PolarHBondContact O-OG1 3.25Å; T89-I178 HydrophobicContact CG2-CG2 4.14Å; T89-W182 HydrophobicContact CG2-CZ2 3.68Å
90	P	96.6	Very high	95.8	Very high	43 Å²	43	78.9 Å²	78.9	28%	0.279	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-56.4	126.9	174.2	-28.4	36.5	0	0	0	112.1	K88 I178 P179 W182	K88-P90 VanDerWaalsContact O-CD 3.27Å; K88-P90 WeakPolarHBondContact O-CD 3.44Å; P90-I178 HydrophobicContact CB-CB 4.25Å; P90-I178 HydrophobicContact CB-CG2 4.18Å; P90-I178 HydrophobicContact CG-CB 4.25Å; P90-I178 HydrophobicContact CG-CD1 3.91Å; P90-I178 HydrophobicContact CG-CG2 4.34Å; P90-P179 HydrophobicContact CB-CG 4.2Å; P90-W182 PolarHBondContact O-NE1 3.45Å
91	P	97	Very high	96	Very high	94 Å²	94	82.4 Å²	82.4	61%	0.61	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-73	169.6	177.4	31.6	-35.8	0	0	0	111	T93	P91-T93 PolarHBondContact O-N 3.1Å
92	I	96.5	Very high	96.2	Very high	84 Å²	84	79.6 Å²	79.6	43%	0.431	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-57.7	132.4	168.1	-169.2	168.9	0	0	0	110.1	W182 I186	I92-W182 HydrophobicContact CB-CB 4.26Å; I92-I186 HydrophobicContact CD1-CD1 4.03Å
93	T	97.9	Very high	96.5	Very high	50 Å²	50	75.4 Å²	75.4	31%	0.307	39%	0.39	S	S	.	.			trans	-111.6	151.8	178.5	70.5	0	0	0	0	110.5	P91 K95 A96 A97 P179	P91-T93 PolarHBondContact O-N 3.1Å; T93-K95 PolarHBondContact O-N 2.86Å; T93-A96 PolarHBondContact O-N 3.24Å; T93-A96 WeakPolarHBondContact OG1-CB 3.33Å; T93-A96 PolarHBondContact OG1-N 2.96Å; T93-A96 VanDerWaalsContact OG1-N 3.09Å; T93-A97 PolarHBondContact O-N 3.45Å; T93-P179 HydrophobicContact CG2-CB 4.23Å; T93-P179 HydrophobicContact CG2-CG 3.98Å
94	R	98	Very high	96.7	Very high	201 Å²	201	73.2 Å²	73.2	76%	0.758	37%	0.373	S	S	*	.	H	α-helix	trans	-56	-39.8	174	-174.7	-178.9	-178.6	-164.5	1.9	111.5	A97 Q98	R94-A97 PolarHBondContact O-N 3.16Å; R94-Q98 WeakPolarHBondContact O-CB 3.31Å; R94-Q98 VanDerWaalsContact O-CG 3.28Å; R94-Q98 WeakPolarHBondContact O-CG 3.48Å; R94-Q98 PolarHBondContact O-N 2.96Å
95	K	97.8	Very high	96.9	Very high	108 Å²	108	73.4 Å²	73.4	47%	0.47	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-49.7	177.4	-176.1	177.7	178.5	179.1	0	111.2	T93 A97 Q98 L99	T93-K95 PolarHBondContact O-N 2.86Å; K95-A97 PolarHBondContact O-N 3.33Å; K95-Q98 PolarHBondContact O-N 3.33Å; K95-L99 HydrophobicContact CG-CD1 4.01Å; K95-L99 HydrophobicContact CG-CG 4.44Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.34Å; K95-L99 PolarHBondContact O-N 3.38Å
96	A	98	Very high	97.1	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-41.7	179.3	0	0	0	0	0	112.4	T93 Q98 L99 Y100 N176 P179 L180	T93-A96 PolarHBondContact O-N 3.24Å; T93-A96 WeakPolarHBondContact OG1-CB 3.33Å; T93-A96 PolarHBondContact OG1-N 2.96Å; T93-A96 VanDerWaalsContact OG1-N 3.09Å; A96-Q98 VanDerWaalsContact C-N 3.35Å; A96-Q98 PolarHBondContact O-N 2.95Å; A96-L99 PolarHBondContact O-N 3.45Å; A96-Y100 WeakPolarHBondContact O-CB 3.5Å; A96-Y100 PolarHBondContact O-N 2.89Å; A96-N176 HydrophobicContact CB-CB 4.39Å; A96-P179 HydrophobicContact CB-CB 3.32Å; A96-L180 HydrophobicContact CB-CD2 4.2Å; A96-L180 HydrophobicContact CB-CG 4.36Å
97	A	98.1	Very high	97.3	Very high	34 Å²	34	68.7 Å²	68.7	28%	0.281	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175.6	0	0	0	0	0	112.2	T93 R94 K95 T101	T93-A97 PolarHBondContact O-N 3.45Å; R94-A97 PolarHBondContact O-N 3.16Å; K95-A97 PolarHBondContact O-N 3.33Å; A97-T101 VanDerWaalsContact O-CB 3.29Å; A97-T101 WeakPolarHBondContact O-CB 3.49Å; A97-T101 PolarHBondContact O-N 3.2Å; A97-T101 PolarHBondContact O-OG1 2.98Å
98	Q	98	Very high	97.3	Very high	98 Å²	98	66.9 Å²	66.9	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-48	175.1	-74.4	172.3	-35.2	0	0	111.8	R94 K95 A96 Y100 T101 L102	R94-Q98 WeakPolarHBondContact O-CB 3.31Å; R94-Q98 VanDerWaalsContact O-CG 3.28Å; R94-Q98 WeakPolarHBondContact O-CG 3.48Å; R94-Q98 PolarHBondContact O-N 2.96Å; K95-Q98 PolarHBondContact O-N 3.33Å; A96-Q98 VanDerWaalsContact C-N 3.35Å; A96-Q98 PolarHBondContact O-N 2.95Å; Q98-Y100 PolarHBondContact O-N 3.43Å; Q98-T101 PolarHBondContact O-N 3.43Å; Q98-L102 WeakPolarHBondContact O-CB 3.38Å; Q98-L102 VanDerWaalsContact O-CG 3.28Å; Q98-L102 WeakPolarHBondContact O-CG 3.32Å; Q98-L102 PolarHBondContact O-N 2.9Å
99	L	97.5	Very high	97.5	Very high	52 Å²	52	64.6 Å²	64.6	27%	0.272	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-47.3	178.4	-70.8	170.5	0	0	0	111.7	K95 A96 L102 W103 I172 N176 L180	K95-L99 HydrophobicContact CG-CD1 4.01Å; K95-L99 HydrophobicContact CG-CG 4.44Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.34Å; K95-L99 PolarHBondContact O-N 3.38Å; A96-L99 PolarHBondContact O-N 3.45Å; L99-L102 PolarHBondContact O-N 2.89Å; L99-W103 WeakPolarHBondContact O-CB 3.48Å; L99-W103 PolarHBondContact O-N 3.13Å; L99-I172 HydrophobicContact CD1-CD1 3.79Å; L99-I172 HydrophobicContact CD1-CG1 3.72Å; L99-I172 HydrophobicContact CD2-CD1 3.59Å; L99-I172 HydrophobicContact CD2-CG1 4.34Å; L99-I172 HydrophobicContact CG-CD1 4.34Å; L99-N176 HydrophobicContact CD1-CB 4.48Å; L99-L180 HydrophobicContact CB-CD2 4.44Å
100	Y	97.4	Very high	97.5	Very high	28 Å²	28	64.8 Å²	64.8	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-40.3	-179.1	-159.8	-104.4	0	0	0	111.8	A96 Q98 W103 V104 L180 C183 A184 L187	A96-Y100 WeakPolarHBondContact O-CB 3.5Å; A96-Y100 PolarHBondContact O-N 2.89Å; Q98-Y100 PolarHBondContact O-N 3.43Å; Y100-W103 WeakPolarHBondContact O-CB 3.37Å; Y100-W103 PolarHBondContact O-N 3.4Å; Y100-V104 HydrophobicContact CD1-CG2 4.09Å; Y100-V104 HydrophobicContact CE1-CG2 3.88Å; Y100-V104 VanDerWaalsContact O-CG2 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.19Å; Y100-V104 PolarHBondContact O-N 2.93Å; Y100-L180 HydrophobicContact CD2-CD2 4.01Å; Y100-L180 HydrophobicContact CG-CD2 4.42Å; Y100-C183 HydrophobicContact CD1-CB 3.62Å; Y100-C183 HydrophobicContact CD2-CB 4.24Å; Y100-C183 HydrophobicContact CE1-CB 4.23Å; Y100-C183 HydrophobicContact CG-CB 3.62Å; Y100-A184 HydrophobicContact CE2-CB 4.15Å; Y100-A184 WeakPolarHBondContact OH-CA 3.06Å; Y100-A184 WeakPolarHBondContact OH-CB 3.32Å; Y100-L187 HydrophobicContact CE1-CB 3.9Å; Y100-L187 HydrophobicContact CE1-CD2 3.6Å; Y100-L187 HydrophobicContact CE1-CG 4.4Å
101	T	97.7	Very high	97.6	Very high	85 Å²	85	63.2 Å²	63.2	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-45.3	175.6	-58	0	0	0	0	111.5	A97 Q98 V104 T105	A97-T101 VanDerWaalsContact O-CB 3.29Å; A97-T101 WeakPolarHBondContact O-CB 3.49Å; A97-T101 PolarHBondContact O-N 3.2Å; A97-T101 PolarHBondContact O-OG1 2.98Å; Q98-T101 PolarHBondContact O-N 3.43Å; T101-V104 PolarHBondContact O-N 3.17Å; T101-T105 VanDerWaalsContact O-CB 3.27Å; T101-T105 WeakPolarHBondContact O-CB 3.42Å; T101-T105 PolarHBondContact O-N 3.4Å; T101-T105 PolarHBondContact O-OG1 3.36Å
102	L	97.3	Very high	97.5	Very high	123 Å²	123	62 Å²	62	64%	0.644	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-43.8	175.7	-72.7	170.8	0	0	0	111.6	Q98 L99 T105 F106	Q98-L102 WeakPolarHBondContact O-CB 3.38Å; Q98-L102 VanDerWaalsContact O-CG 3.28Å; Q98-L102 WeakPolarHBondContact O-CG 3.32Å; Q98-L102 PolarHBondContact O-N 2.9Å; L99-L102 PolarHBondContact O-N 2.89Å; L102-T105 PolarHBondContact O-N 3.16Å; L102-F106 WeakPolarHBondContact O-CB 3.47Å; L102-F106 PolarHBondContact O-N 2.88Å
103	W	97.1	Very high	97.4	Very high	41 Å²	41	62 Å²	62	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-56.7	-54.4	175.7	165.7	-116.5	0	0	0	111.9	L99 Y100 T105 F106 Q107 T154 V246 A247 L250	L99-W103 WeakPolarHBondContact O-CB 3.48Å; L99-W103 PolarHBondContact O-N 3.13Å; Y100-W103 WeakPolarHBondContact O-CB 3.37Å; Y100-W103 PolarHBondContact O-N 3.4Å; W103-T105 PolarHBondContact O-N 3.15Å; W103-F106 PolarHBondContact O-N 3.23Å; W103-Q107 HydrophobicContact CD2-CG 4Å; W103-Q107 HydrophobicContact CE3-CG 4Å; W103-Q107 VanDerWaalsContact CH2-CD 3.45Å; W103-Q107 HydrophobicContact CH2-CG 3.57Å; W103-Q107 HydrophobicContact CZ2-CG 3.55Å; W103-Q107 HydrophobicContact CZ3-CG 3.8Å; W103-Q107 WeakPolarHBondContact O-CG 3.44Å; W103-Q107 PolarHBondContact O-N 3.1Å; W103-T154 HydrophobicContact CH2-CG2 4.03Å; W103-T154 HydrophobicContact CZ3-CG2 3.65Å; W103-V246 HydrophobicContact CH2-CB 4.17Å; W103-V246 HydrophobicContact CH2-CG1 3.83Å; W103-A247 HydrophobicContact CZ2-CB 3.8Å; W103-L250 HydrophobicContact CE3-CD2 4.43Å; W103-L250 HydrophobicContact CH2-CD2 4.32Å; W103-L250 HydrophobicContact CZ3-CD2 3.94Å
104	V	97.7	Very high	97.2	Very high	23 Å²	23	61.1 Å²	61.1	14%	0.139	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-43.3	-177.9	175.5	0	0	0	0	110.5	Y100 T101 F106 Q107 V108 L187	Y100-V104 HydrophobicContact CD1-CG2 4.09Å; Y100-V104 HydrophobicContact CE1-CG2 3.88Å; Y100-V104 VanDerWaalsContact O-CG2 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.19Å; Y100-V104 PolarHBondContact O-N 2.93Å; T101-V104 PolarHBondContact O-N 3.17Å; V104-F106 PolarHBondContact O-N 2.88Å; V104-Q107 PolarHBondContact O-N 2.94Å; V104-V108 HydrophobicContact CG1-CG2 4.44Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.44Å; V104-V108 PolarHBondContact O-N 3.35Å; V104-L187 HydrophobicContact CG1-CD2 4.39Å; V104-L187 HydrophobicContact CG2-CD2 3.77Å
105	T	97.8	Very high	97	Very high	71 Å²	71	54.4 Å²	54.4	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-43.8	178.2	-57.7	0	0	0	0	111.3	T101 L102 W103 Q107 V108 L109	T101-T105 VanDerWaalsContact O-CB 3.27Å; T101-T105 WeakPolarHBondContact O-CB 3.42Å; T101-T105 PolarHBondContact O-N 3.4Å; T101-T105 PolarHBondContact O-OG1 3.36Å; L102-T105 PolarHBondContact O-N 3.16Å; W103-T105 PolarHBondContact O-N 3.15Å; T105-Q107 PolarHBondContact O-N 3.46Å; T105-V108 PolarHBondContact O-N 2.86Å; T105-L109 HydrophobicContact CG2-CD1 4.3Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.31Å; T105-L109 PolarHBondContact O-N 3.37Å
106	F	97.6	Very high	96.9	Very high	66 Å²	66	49.4 Å²	49.4	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-45.7	176.2	178.4	-113	0	0	0	111.5	L102 W103 V104 V108 L109 L110 L157	L102-F106 WeakPolarHBondContact O-CB 3.47Å; L102-F106 PolarHBondContact O-N 2.88Å; W103-F106 PolarHBondContact O-N 3.23Å; V104-F106 PolarHBondContact O-N 2.88Å; F106-V108 PolarHBondContact O-N 2.89Å; F106-L109 PolarHBondContact O-N 3.13Å; F106-L110 HydrophobicContact CD1-CD1 4.06Å; F106-L110 HydrophobicContact CE1-CD1 3.47Å; F106-L110 VanDerWaalsContact CE1-CD1 3.47Å; F106-L110 HydrophobicContact CE1-CG 4.18Å; F106-L110 HydrophobicContact CE2-CD1 4.28Å; F106-L110 HydrophobicContact CE2-CD2 4.17Å; F106-L110 HydrophobicContact CE2-CG 4.17Å; F106-L110 HydrophobicContact CZ-CD1 3.6Å; F106-L110 HydrophobicContact CZ-CD2 4.09Å; F106-L110 HydrophobicContact CZ-CG 3.98Å; F106-L110 WeakPolarHBondContact O-CG 3.46Å; F106-L110 PolarHBondContact O-N 3.34Å; F106-L157 HydrophobicContact CE1-CD1 4.45Å; F106-L157 HydrophobicContact CE2-CD1 4.26Å; F106-L157 HydrophobicContact CZ-CD1 3.64Å
107	Q	98.1	Very high	96.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-38.3	176.2	-72.2	-53.1	-48.2	0	0	112.8	W103 V104 T105 L110 Y111 T154 F238 R242	W103-Q107 HydrophobicContact CD2-CG 4Å; W103-Q107 HydrophobicContact CE3-CG 4Å; W103-Q107 VanDerWaalsContact CH2-CD 3.45Å; W103-Q107 HydrophobicContact CH2-CG 3.57Å; W103-Q107 HydrophobicContact CZ2-CG 3.55Å; W103-Q107 HydrophobicContact CZ3-CG 3.8Å; W103-Q107 WeakPolarHBondContact O-CG 3.44Å; W103-Q107 PolarHBondContact O-N 3.1Å; V104-Q107 PolarHBondContact O-N 2.94Å; T105-Q107 PolarHBondContact O-N 3.46Å; Q107-L110 PolarHBondContact O-N 3.48Å; Q107-Y111 VanDerWaalsContact O-CB 3.27Å; Q107-Y111 WeakPolarHBondContact O-CB 3.42Å; Q107-Y111 PolarHBondContact O-N 3.47Å; Q107-T154 PolarHBondContact NE2-OG1 3.3Å; Q107-F238 HydrophobicContact CB-CE2 4.15Å; Q107-F238 HydrophobicContact CB-CZ 4.22Å; Q107-R242 HydrophobicContact CB-CB 4.04Å; Q107-R242 HydrophobicContact CG-CB 4.33Å
108	V	97.5	Very high	96.3	Very high	45 Å²	45	52.9 Å²	52.9	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-48.7	173	169.4	0	0	0	0	110	V104 T105 F106 L110 Y111 T112 F233 F238	V104-V108 HydrophobicContact CG1-CG2 4.44Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.44Å; V104-V108 PolarHBondContact O-N 3.35Å; T105-V108 PolarHBondContact O-N 2.86Å; F106-V108 PolarHBondContact O-N 2.89Å; V108-L110 PolarHBondContact O-N 3.48Å; V108-Y111 PolarHBondContact O-N 2.87Å; V108-Y111 VanDerWaalsContact O-N 3.16Å; V108-T112 HydrophobicContact CG1-CG2 4.33Å; V108-T112 WeakPolarHBondContact O-CG2 3.2Å; V108-T112 PolarHBondContact O-N 3.34Å; V108-T112 PolarHBondContact O-OG1 3.2Å; V108-F233 HydrophobicContact CG1-CE2 4.28Å; V108-F233 HydrophobicContact CG2-CE2 4.26Å; V108-F238 HydrophobicContact CB-CE2 4.47Å; V108-F238 HydrophobicContact CB-CZ 4.38Å; V108-F238 HydrophobicContact CG2-CE1 4.06Å; V108-F238 HydrophobicContact CG2-CE2 3.92Å; V108-F238 HydrophobicContact CG2-CZ 3.42Å; V108-F238 VanDerWaalsContact CG2-CZ 3.42Å
109	L	97.4	Very high	96	Very high	96 Å²	96	51.6 Å²	51.6	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-45.4	179.1	-69.9	172.4	0	0	0	111.8	T105 F106 Y111 S113	T105-L109 HydrophobicContact CG2-CD1 4.3Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.31Å; T105-L109 PolarHBondContact O-N 3.37Å; F106-L109 PolarHBondContact O-N 3.13Å; L109-Y111 PolarHBondContact O-N 2.96Å; L109-S113 WeakPolarHBondContact O-CA 3.36Å; L109-S113 WeakPolarHBondContact O-CB 3.25Å; L109-S113 PolarHBondContact O-N 3.46Å; L109-S113 PolarHBondContact O-OG 3.29Å
110	L	97.3	Very high	95.9	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-46.3	174.3	-67.1	-177.1	0	0	0	110.9	F106 Q107 V108 T112 L114 N146 A150 L153	F106-L110 HydrophobicContact CD1-CD1 4.06Å; F106-L110 HydrophobicContact CE1-CD1 3.47Å; F106-L110 VanDerWaalsContact CE1-CD1 3.47Å; F106-L110 HydrophobicContact CE1-CG 4.18Å; F106-L110 HydrophobicContact CE2-CD1 4.28Å; F106-L110 HydrophobicContact CE2-CD2 4.17Å; F106-L110 HydrophobicContact CE2-CG 4.17Å; F106-L110 HydrophobicContact CZ-CD1 3.6Å; F106-L110 HydrophobicContact CZ-CD2 4.09Å; F106-L110 HydrophobicContact CZ-CG 3.98Å; F106-L110 WeakPolarHBondContact O-CG 3.46Å; F106-L110 PolarHBondContact O-N 3.34Å; Q107-L110 PolarHBondContact O-N 3.48Å; V108-L110 PolarHBondContact O-N 3.48Å; L110-T112 PolarHBondContact O-N 2.85Å; L110-L114 HydrophobicContact CD2-CD2 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 PolarHBondContact O-N 3.06Å; L110-L114 VanDerWaalsContact O-N 3.15Å; L110-N146 PolarHBondContact O-ND2 3.28Å; L110-A150 HydrophobicContact CB-CB 4.13Å; L110-A150 HydrophobicContact CD1-CB 4.03Å; L110-L153 HydrophobicContact CD2-CD1 4.11Å
111	Y	97.1	Very high	95.7	Very high	10 Å²	10	61.4 Å²	61.4	4%	0.039	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-41.9	-178.7	-175.6	-103.9	0	0	0	113	Q107 V108 L109 F233 D234 L237 F238 R242	Q107-Y111 VanDerWaalsContact O-CB 3.27Å; Q107-Y111 WeakPolarHBondContact O-CB 3.42Å; Q107-Y111 PolarHBondContact O-N 3.47Å; V108-Y111 PolarHBondContact O-N 2.87Å; V108-Y111 VanDerWaalsContact O-N 3.16Å; L109-Y111 PolarHBondContact O-N 2.96Å; Y111-F233 AromaticContact CD1-CD2 3.77Å; Y111-F233 HydrophobicContact CD1-CD2 3.77Å; Y111-F233 AromaticContact CD1-CE2 3.98Å; Y111-F233 HydrophobicContact CD1-CE2 3.98Å; Y111-F233 AromaticContact CE1-CD2 3.98Å; Y111-F233 HydrophobicContact CE1-CD2 3.98Å; Y111-F233 HydrophobicContact CE1-CE2 4.37Å; Y111-F233 HydrophobicContact CE1-CG 4.35Å; Y111-D234 PolarHBondContact OH-O 2.95Å; Y111-L237 HydrophobicContact CE2-CD2 4.14Å; Y111-L237 HydrophobicContact CE2-CG 4.17Å; Y111-F238 HydrophobicContact CD1-CB 4.27Å; Y111-F238 AromaticContact CD1-CD2 3.81Å; Y111-F238 HydrophobicContact CD1-CD2 3.81Å; Y111-F238 HydrophobicContact CD1-CG 4.41Å; Y111-F238 HydrophobicContact CD2-CD2 4.06Å; Y111-F238 HydrophobicContact CE1-CB 4.04Å; Y111-F238 HydrophobicContact CE1-CD2 4.42Å; Y111-F238 HydrophobicContact CE2-CB 4.37Å; Y111-F238 AromaticContact CG-CD2 3.59Å; Y111-F238 HydrophobicContact CG-CD2 3.59Å; Y111-F238 HydrophobicContact CG-CE2 4.35Å; Y111-R242 HydrophobicContact CD2-CG 4.06Å
112	T	95.3	Very high	95.5	Very high	70 Å²	70	59.7 Å²	59.7	43%	0.429	31%	0.308	S	S	.	.	H	α-helix	trans	-86.8	-32.2	-175.8	56.9	0	0	0	0	114.2	V108 L110 F233	V108-T112 HydrophobicContact CG1-CG2 4.33Å; V108-T112 WeakPolarHBondContact O-CG2 3.2Å; V108-T112 PolarHBondContact O-N 3.34Å; V108-T112 PolarHBondContact O-OG1 3.2Å; L110-T112 PolarHBondContact O-N 2.85Å; T112-F233 HydrophobicContact CG2-CD2 3.76Å; T112-F233 HydrophobicContact CG2-CE2 4.49Å
113	S	94.7	Very high	95.2	Very high	84 Å²	84	59.4 Å²	59.4	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-113.8	-16.5	-165.2	-53.2	0	0	0	0	113.9	L109 P115	L109-S113 WeakPolarHBondContact O-CA 3.36Å; L109-S113 WeakPolarHBondContact O-CB 3.25Å; L109-S113 PolarHBondContact O-N 3.46Å; L109-S113 PolarHBondContact O-OG 3.29Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
114	L	95	Very high	94.8	Very high	31 Å²	31	60.8 Å²	60.8	16%	0.162	34%	0.341	C	S	.	.			trans	-86.7	104.3	177.1	-174.7	67.6	0	0	0	110.1	L110 N146 Q149 L153	L110-L114 HydrophobicContact CD2-CD2 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 PolarHBondContact O-N 3.06Å; L110-L114 VanDerWaalsContact O-N 3.15Å; L114-N146 PolarHBondContact O-ND2 2.96Å; L114-Q149 HydrophobicContact CD2-CB 3.74Å; L114-L153 HydrophobicContact CD1-CD1 4.01Å; L114-L153 HydrophobicContact CD2-CD1 3.66Å
115	P	93.3	Very high	94.6	Very high	60 Å²	60	60.1 Å²	60.1	39%	0.39	34%	0.336	S	S	.	.			trans	-66.7	147.6	166.3	31.2	-35.5	0	0	0	109	S113 F117 Q149	S113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-F117 HydrophobicContact CB-CZ 4.43Å; P115-F117 HydrophobicContact CG-CD2 4.43Å; P115-F117 HydrophobicContact CG-CE1 4.11Å; P115-F117 HydrophobicContact CG-CE2 3.58Å; P115-F117 HydrophobicContact CG-CZ 3.4Å; P115-F117 VanDerWaalsContact O-CD2 3.3Å; P115-F117 WeakPolarHBondContact O-CD2 3.26Å; P115-F117 PolarHBondContact O-N 3.43Å; P115-Q149 PolarHBondContact O-OE1 2.96Å
116	D	94.4	Very high	94.4	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	33%	0.33	C	S	.	.			trans	-75.8	120.3	176	179.1	54.5	0	0	0	109.5	C118 H119 G127 G128 I145 N146 Q149	D116-C118 WeakPolarHBondContact OD1-CB 3.33Å; D116-C118 PolarHBondContact OD1-N 3.33Å; D116-H119 PolarHBondContact O-CE1 3.25Å; D116-H119 PolarHBondContact O-ND1 3.03Å; D116-H119 WeakPolarHBondContact OD2-CB 3.39Å; D116-H119 IonicContact OD2-CE1 3.75Å; D116-H119 IonicContact OD2-CG 2.75Å; D116-H119 VanDerWaalsContact OD2-CG 3.31Å; D116-H119 PolarHBondContact OD2-N 3.49Å; D116-H119 IonicContact OD2-ND1 2.85Å; D116-H119 PolarHBondContact OD2-ND1 2.93Å; D116-G127 WeakPolarHBondContact OD2-CA 3.45Å; D116-G128 PolarHBondContact OD2-N 3.19Å; D116-G128 VanDerWaalsContact OD2-N 3.12Å; D116-I145 WeakPolarHBondContact CB-O 3.2Å; D116-N146 HydrophobicContact CB-CB 4.04Å; D116-Q149 VanDerWaalsContact CA-OE1 3.24Å; D116-Q149 VanDerWaalsContact OD1-CG 3.27Å; D116-Q149 WeakPolarHBondContact OD1-CG 3.33Å; D116-Q149 PolarHBondContact OD1-OE1 3.36Å
117	F	93.4	Very high	94.3	Very high	99 Å²	99	56.2 Å²	56.2	43%	0.434	32%	0.318	S	S	.	.			trans	-100.4	-20.6	171.8	-57.6	-78.6	0	0	0	112.3	P115 H119 K120 F121 Q149	P115-F117 HydrophobicContact CB-CZ 4.43Å; P115-F117 HydrophobicContact CG-CD2 4.43Å; P115-F117 HydrophobicContact CG-CE1 4.11Å; P115-F117 HydrophobicContact CG-CE2 3.58Å; P115-F117 HydrophobicContact CG-CZ 3.4Å; P115-F117 VanDerWaalsContact O-CD2 3.3Å; P115-F117 WeakPolarHBondContact O-CD2 3.26Å; P115-F117 PolarHBondContact O-N 3.43Å; F117-H119 VanDerWaalsContact C-N 3.31Å; F117-H119 PolarHBondContact O-N 2.77Å; F117-K120 WeakPolarHBondContact O-CB 3.2Å; F117-K120 PolarHBondContact O-N 3.27Å; F117-F121 HydrophobicContact CB-CE1 4.22Å; F117-F121 WeakPolarHBondContact O-CD1 3.03Å; F117-F121 WeakPolarHBondContact O-CE1 3.47Å; F117-Q149 VanDerWaalsContact N-CD 3.28Å
118	C	92	Very high	94.1	Very high	7 Å²	7	56.4 Å²	56.4	5%	0.047	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-63.6	-35.9	-172.5	-88.8	0	0	0	0	111.8	D116 K120 F121 L122 Y125 Q149	D116-C118 WeakPolarHBondContact OD1-CB 3.33Å; D116-C118 PolarHBondContact OD1-N 3.33Å; C118-K120 PolarHBondContact O-N 2.91Å; C118-K120 VanDerWaalsContact O-N 3.1Å; C118-F121 HydrophobicContact CB-CZ 4.26Å; C118-F121 PolarHBondContact O-N 3.06Å; C118-F121 VanDerWaalsContact SG-CZ 3.59Å; C118-L122 HydrophobicContact CB-CD1 3.74Å; C118-L122 HydrophobicContact CB-CG 4.31Å; C118-L122 VanDerWaalsContact O-CB 3.31Å; C118-L122 WeakPolarHBondContact O-CB 3.34Å; C118-L122 WeakPolarHBondContact O-CG 3.32Å; C118-L122 PolarHBondContact O-N 3.36Å; C118-Y125 HydrophobicContact CB-CD1 3.92Å; C118-Y125 HydrophobicContact CB-CE1 3.71Å; C118-Q149 HydrophobicContact CB-CG 3.81Å; C118-Q149 WeakPolarHBondContact SG-CG 3.48Å; C118-Q149 PolarHBondContact SG-NE2 2.81Å
119	H	91.7	Very high	94.1	Very high	72 Å²	72	58.8 Å²	58.8	33%	0.333	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-60.5	-20.5	176.2	74.5	-87.4	0	0	0	114.1	D116 F117 Y125	D116-H119 PolarHBondContact O-CE1 3.25Å; D116-H119 PolarHBondContact O-ND1 3.03Å; D116-H119 WeakPolarHBondContact OD2-CB 3.39Å; D116-H119 IonicContact OD2-CE1 3.75Å; D116-H119 IonicContact OD2-CG 2.75Å; D116-H119 VanDerWaalsContact OD2-CG 3.31Å; D116-H119 PolarHBondContact OD2-N 3.49Å; D116-H119 IonicContact OD2-ND1 2.85Å; D116-H119 PolarHBondContact OD2-ND1 2.93Å; F117-H119 VanDerWaalsContact C-N 3.31Å; F117-H119 PolarHBondContact O-N 2.77Å; H119-Y125 HydrophobicContact CB-CD1 4.15Å; H119-Y125 HydrophobicContact CB-CE1 4.39Å
120	K	93.4	Very high	94	Very high	152 Å²	152	56.7 Å²	56.7	66%	0.661	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-77.8	-25.4	-178.4	-61	-174.2	180	-179.9	0	113	F117 C118	F117-K120 WeakPolarHBondContact O-CB 3.2Å; F117-K120 PolarHBondContact O-N 3.27Å; C118-K120 PolarHBondContact O-N 2.91Å; C118-K120 VanDerWaalsContact O-N 3.1Å
121	F	93.9	Very high	93.9	Very high	134 Å²	134	61.6 Å²	61.6	59%	0.588	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-15.8	-173	59.2	-97.1	0	0	0	114.5	F117 C118 P123	F117-F121 HydrophobicContact CB-CE1 4.22Å; F117-F121 WeakPolarHBondContact O-CD1 3.03Å; F117-F121 WeakPolarHBondContact O-CE1 3.47Å; C118-F121 HydrophobicContact CB-CZ 4.26Å; C118-F121 PolarHBondContact O-N 3.06Å; C118-F121 VanDerWaalsContact SG-CZ 3.59Å; F121-P123 VanDerWaalsContact O-CD 3.32Å; F121-P123 WeakPolarHBondContact O-CD 3.44Å
122	L	93.4	Very high	93.7	Very high	48 Å²	48	61.8 Å²	61.8	25%	0.251	35%	0.345	S	S	.	.	S	Bend	trans	-88.6	109.5	175.1	-64.2	-177.7	0	0	0	110.4	C118 G124 Y125 L148 W286	C118-L122 HydrophobicContact CB-CD1 3.74Å; C118-L122 HydrophobicContact CB-CG 4.31Å; C118-L122 VanDerWaalsContact O-CB 3.31Å; C118-L122 WeakPolarHBondContact O-CB 3.34Å; C118-L122 WeakPolarHBondContact O-CG 3.32Å; C118-L122 PolarHBondContact O-N 3.36Å; L122-G124 PolarHBondContact O-N 3.48Å; L122-Y125 HydrophobicContact CB-CD1 4.48Å; L122-Y125 HydrophobicContact CB-CG 4.48Å; L122-Y125 HydrophobicContact CD1-CD1 4.39Å; L122-Y125 PolarHBondContact O-N 2.94Å; L122-L148 HydrophobicContact CD1-CD2 4.11Å; L122-W286 HydrophobicContact CB-CH2 4.28Å; L122-W286 HydrophobicContact CD1-CZ3 4.04Å
123	P	91.7	Very high	93.4	Very high	117 Å²	117	60.5 Å²	60.5	76%	0.76	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	133.2	-179.7	26.5	-33.9	0	0	0	111	F121 Y125	F121-P123 VanDerWaalsContact O-CD 3.32Å; F121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-Y125 PolarHBondContact O-N 3.47Å
124	G	88.4	Confident	93.1	Very high	70 Å²	70	60.8 Å²	60.8	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-9.6	178.8	0	0	0	0	0	115.6	L122	L122-G124 PolarHBondContact O-N 3.48Å
125	Y	94.3	Very high	92.9	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.039	33%	0.334	C	S	.	.			trans	-77.5	128.4	172.4	177.7	-119	0	0	0	110.5	C118 H119 L122 P123 L148 W286	C118-Y125 HydrophobicContact CB-CD1 3.92Å; C118-Y125 HydrophobicContact CB-CE1 3.71Å; H119-Y125 HydrophobicContact CB-CD1 4.15Å; H119-Y125 HydrophobicContact CB-CE1 4.39Å; L122-Y125 HydrophobicContact CB-CD1 4.48Å; L122-Y125 HydrophobicContact CB-CG 4.48Å; L122-Y125 HydrophobicContact CD1-CD1 4.39Å; L122-Y125 PolarHBondContact O-N 2.94Å; P123-Y125 PolarHBondContact O-N 3.47Å; Y125-L148 HydrophobicContact CD2-CD2 4.19Å; Y125-L148 HydrophobicContact CE1-CD2 4.47Å; Y125-L148 HydrophobicContact CE2-CB 4.28Å; Y125-L148 HydrophobicContact CE2-CD2 3.95Å; Y125-W286 HydrophobicContact CD2-CD2 4.15Å; Y125-W286 HydrophobicContact CD2-CE3 4.33Å; Y125-W286 HydrophobicContact CD2-CG 4.35Å; Y125-W286 VanDerWaalsContact CD2-O 3.26Å; Y125-W286 WeakPolarHBondContact CD2-O 3.41Å; Y125-W286 WeakPolarHBondContact CE2-O 3.48Å
126	V	93.6	Very high	92.4	Very high	53 Å²	53	60.1 Å²	60.1	32%	0.321	34%	0.336	S	S	.	.			trans	-109.8	85.1	179.1	-174.7	0	0	0	0	108.7	T289	V126-T289 HydrophobicContact CG1-CG2 4.15Å; V126-T289 PolarHBondContact O-OG1 3.35Å
127	G	94.2	Very high	92	Very high	2 Å²	2	60.7 Å²	60.7	2%	0.021	34%	0.342	C	S	.	.			trans	-108	-160.2	172.9	0	0	0	0	0	112.5	D116 Q130	D116-G127 WeakPolarHBondContact OD2-CA 3.45Å; G127-Q130 PolarHBondContact O-NE2 2.98Å
128	G	95.5	Very high	91.7	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.4	-156.1	178.2	0	0	0	0	0	113.5	D116 Q130 I145	D116-G128 PolarHBondContact OD2-N 3.19Å; D116-G128 VanDerWaalsContact OD2-N 3.12Å; G128-Q130 PolarHBondContact O-N 3.45Å; G128-I145 PolarHBondContact N-O 2.93Å; G128-I145 WeakPolarHBondContact O-CB 3.48Å; G128-I145 PolarHBondContact O-N 2.52Å
129	I	95.8	Very high	91.6	Very high	96 Å²	96	60.8 Å²	60.8	49%	0.492	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.7	179.2	-61.3	173.1	0	0	0	108.9	K142 Y143 W232	I129-K142 HydrophobicContact CG2-CB 4.23Å; I129-K142 HydrophobicContact CG2-CD 4.22Å; I129-Y143 CarbonylContact C-O 3.48Å; I129-Y143 WeakPolarHBondContact CA-O 3.19Å; I129-W232 HydrophobicContact CD1-CH2 4.03Å; I129-W232 HydrophobicContact CG1-CH2 4.34Å; I129-W232 HydrophobicContact CG2-CH2 4.32Å; I129-W232 HydrophobicContact CG2-CZ3 4.39Å
130	Q	95.8	Very high	91.7	Very high	52 Å²	52	60.4 Å²	60.4	24%	0.243	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.3	179.4	-60.7	-61	-36.2	0	0	111.1	G127 G128 K142 Y143 I145 T289 L292	G127-Q130 PolarHBondContact O-NE2 2.98Å; G128-Q130 PolarHBondContact O-N 3.45Å; Q130-K142 WeakPolarHBondContact O-CA 3.44Å; Q130-Y143 PolarHBondContact N-O 3.03Å; Q130-Y143 PolarHBondContact O-N 3.47Å; Q130-I145 HydrophobicContact CB-CG1 3.89Å; Q130-I145 HydrophobicContact CG-CB 4.38Å; Q130-I145 HydrophobicContact CG-CG1 3.77Å; Q130-T289 HydrophobicContact CB-CG2 4.24Å; Q130-T289 HydrophobicContact CG-CG2 4.04Å; Q130-L292 HydrophobicContact CB-CD1 4.12Å
131	E	95	Very high	91.7	Very high	121 Å²	121	54.2 Å²	54.2	57%	0.565	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.9	175.8	-63.9	-172.4	157.9	0	0	110.5	V140	E131-V140 HydrophobicContact CB-CG1 3.88Å; E131-V140 HydrophobicContact CG-CG1 4.26Å
132	G	93	Very high	91.8	Very high	14 Å²	14	52.1 Å²	52.1	14%	0.144	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-174	171.3	0	0	0	0	0	112.7	N141	G132-N141 PolarHBondContact N-O 3.25Å
133	A	89.3	Confident	91.9	Very high	42 Å²	42	50 Å²	50	35%	0.347	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	156	171.9	0	0	0	0	0	112.3	T135 C298	A133-T135 PolarHBondContact O-N 2.82Å; A133-C298 HydrophobicContact CB-CB 4.31Å; A133-C298 WeakPolarHBondContact CB-SG 3.48Å
134	V	89.3	Confident	92.1	Very high	91 Å²	91	46.1 Å²	46.1	55%	0.552	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	126	171.7	-173.7	0	0	0	0	109	V139 V140	V134-V139 CarbonylContact C-O 3.59Å; V134-V139 WeakPolarHBondContact CA-O 3.46Å; V134-V140 HydrophobicContact CB-CG2 4.45Å; V134-V140 HydrophobicContact CG2-CG2 3.79Å
135	T	89.6	Confident	92.5	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-74.1	165.2	174.5	74.8	0	0	0	0	111.4	A133 A137 G138 V139 D208 F225	A133-T135 PolarHBondContact O-N 2.82Å; T135-A137 PolarHBondContact O-N 2.9Å; T135-A137 PolarHBondContact OG1-N 3.32Å; T135-G138 WeakPolarHBondContact O-CA 3.45Å; T135-G138 PolarHBondContact O-N 3.19Å; T135-V139 HydrophobicContact CG2-CB 4.26Å; T135-V139 WeakPolarHBondContact CG2-O 3.38Å; T135-V139 PolarHBondContact N-O 3.4Å; T135-V139 WeakPolarHBondContact OG1-CB 3.43Å; T135-V139 PolarHBondContact OG1-N 2.88Å; T135-V139 VanDerWaalsContact OG1-N 3.16Å; T135-D208 WeakPolarHBondContact CB-OD1 3.17Å; T135-D208 WeakPolarHBondContact CB-OD2 3.48Å; T135-D208 PolarHBondContact OG1-OD1 3.29Å; T135-D208 PolarHBondContact OG1-OD2 3.15Å; T135-F225 HydrophobicContact CG2-CD1 3.93Å; T135-F225 HydrophobicContact CG2-CE1 3.9Å
136	P	83	Confident	92.6	Very high	68 Å²	68	42.3 Å²	42.3	44%	0.442	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.1	173.5	-29.9	38.7	0	0	0	114.1	W29 G138 D208	W29-P136 HydrophobicContact CD2-CG 3.62Å; W29-P136 HydrophobicContact CE3-CB 4.5Å; W29-P136 HydrophobicContact CE3-CG 3.19Å; W29-P136 HydrophobicContact CG-CG 4.37Å; W29-P136 HydrophobicContact CH2-CG 3.54Å; W29-P136 HydrophobicContact CZ2-CG 4.01Å; W29-P136 VanDerWaalsContact CZ3-CD 3.46Å; W29-P136 HydrophobicContact CZ3-CG 3.17Å; P136-G138 PolarHBondContact O-N 3.2Å; P136-D208 VanDerWaalsContact CD-OD1 3.23Å; P136-D208 WeakPolarHBondContact CD-OD1 3.26Å
137	A	86.9	Confident	92.8	Very high	15 Å²	15	39.8 Å²	39.8	12%	0.124	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.8	174.5	0	0	0	0	0	114.4	T135 V139 R207 D208	T135-A137 PolarHBondContact O-N 2.9Å; T135-A137 PolarHBondContact OG1-N 3.32Å; A137-V139 HydrophobicContact CB-CG2 4.31Å; A137-R207 HydrophobicContact CB-CB 3.57Å; A137-R207 PolarHBondContact O-NH2 3.37Å; A137-D208 VanDerWaalsContact CB-CG 3.41Å; A137-D208 WeakPolarHBondContact CB-OD1 3.26Å; A137-D208 VanDerWaalsContact CB-OD2 3.28Å; A137-D208 WeakPolarHBondContact CB-OD2 3.4Å; A137-D208 PolarHBondContact N-OD1 3.12Å
138	G	87.1	Confident	92.9	Very high	52 Å²	52	40.1 Å²	40.1	54%	0.536	24%	0.238	S	C	.	.	S	Bend	trans	81.4	14.4	-178.8	0	0	0	0	0	114.5	T135 P136	T135-G138 WeakPolarHBondContact O-CA 3.45Å; T135-G138 PolarHBondContact O-N 3.19Å; P136-G138 PolarHBondContact O-N 3.2Å
139	V	89	Confident	93	Very high	55 Å²	55	40.8 Å²	40.8	33%	0.333	24%	0.24	S	C	.	.			trans	-87.7	137.4	-176.9	-177.8	0	0	0	0	110.3	V134 T135 A137	V134-V139 CarbonylContact C-O 3.59Å; V134-V139 WeakPolarHBondContact CA-O 3.46Å; T135-V139 HydrophobicContact CG2-CB 4.26Å; T135-V139 WeakPolarHBondContact CG2-O 3.38Å; T135-V139 PolarHBondContact N-O 3.4Å; T135-V139 WeakPolarHBondContact OG1-CB 3.43Å; T135-V139 PolarHBondContact OG1-N 2.88Å; T135-V139 VanDerWaalsContact OG1-N 3.16Å; A137-V139 HydrophobicContact CB-CG2 4.31Å
140	V	93.1	Very high	93	Very high	64 Å²	64	36.2 Å²	36.2	39%	0.388	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.7	170.6	-179.9	0	0	0	0	109.1	E131 V134	E131-V140 HydrophobicContact CB-CG1 3.88Å; E131-V140 HydrophobicContact CG-CG1 4.26Å; V134-V140 HydrophobicContact CB-CG2 4.45Å; V134-V140 HydrophobicContact CG2-CG2 3.79Å
141	N	93.7	Very high	93.1	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.1	178.9	-77	-23.8	0	0	0	111.1	G132 Y143	G132-N141 PolarHBondContact N-O 3.25Å; N141-Y143 HydrophobicContact CB-CD2 4.41Å; N141-Y143 HydrophobicContact CB-CE2 3.56Å; N141-Y143 WeakPolarHBondContact O-CD2 3.28Å; N141-Y143 WeakPolarHBondContact O-CE2 3.24Å
142	K	95.7	Very high	93.2	Very high	90 Å²	90	32.5 Å²	32.5	39%	0.391	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.2	169.9	-64.2	-171.8	177.7	-170.2	0	110.2	I129 Q130 R228 W232	I129-K142 HydrophobicContact CG2-CB 4.23Å; I129-K142 HydrophobicContact CG2-CD 4.22Å; Q130-K142 WeakPolarHBondContact O-CA 3.44Å; K142-R228 PolarHBondContact O-NH1 3.44Å; K142-R228 PolarHBondContact O-NH2 3.29Å; K142-W232 HydrophobicContact CB-CH2 4.36Å; K142-W232 HydrophobicContact CB-CZ3 3.95Å
143	Y	96.1	Very high	93.4	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.2	-178.1	-63.9	-95	0	0	0	110	I129 Q130 N141 R228 D234 L237 L292	I129-Y143 CarbonylContact C-O 3.48Å; I129-Y143 WeakPolarHBondContact CA-O 3.19Å; Q130-Y143 PolarHBondContact N-O 3.03Å; Q130-Y143 PolarHBondContact O-N 3.47Å; N141-Y143 HydrophobicContact CB-CD2 4.41Å; N141-Y143 HydrophobicContact CB-CE2 3.56Å; N141-Y143 WeakPolarHBondContact O-CD2 3.28Å; N141-Y143 WeakPolarHBondContact O-CE2 3.24Å; Y143-R228 VanDerWaalsContact CD1-NH2 3.27Å; Y143-R228 PolarHBondContact OH-NH2 3.37Å; Y143-D234 HydrophobicContact CD1-CB 4.25Å; Y143-D234 HydrophobicContact CE1-CB 3.81Å; Y143-D234 PolarHBondContact OH-OD2 3.22Å; Y143-L237 HydrophobicContact CD1-CB 4.35Å; Y143-L237 HydrophobicContact CD1-CD2 3.56Å; Y143-L237 HydrophobicContact CE1-CB 4.37Å; Y143-L237 HydrophobicContact CE1-CD2 4.35Å; Y143-L237 HydrophobicContact CG-CD2 4.25Å; Y143-L292 HydrophobicContact CD1-CD2 3.86Å; Y143-L292 HydrophobicContact CD2-CD1 3.87Å; Y143-L292 HydrophobicContact CD2-CD2 3.84Å; Y143-L292 HydrophobicContact CD2-CG 4.47Å; Y143-L292 HydrophobicContact CE1-CD2 4.1Å; Y143-L292 HydrophobicContact CE2-CD2 4.14Å; Y143-L292 HydrophobicContact CG-CD1 4.14Å; Y143-L292 HydrophobicContact CG-CD2 3.69Å
144	Q	95.5	Very high	93.8	Very high	34 Å²	34	33.5 Å²	33.5	16%	0.159	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.3	168.6	-176.9	60.5	31.5	0	0	108.6	N146	Q144-N146 HydrophobicContact CG-CB 4.46Å; Q144-N146 PolarHBondContact O-N 2.93Å
145	I	97	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	95.6	-179	-57.2	-55.5	0	0	0	108.6	D116 G128 Q130 L237 E288 L292	D116-I145 WeakPolarHBondContact CB-O 3.2Å; G128-I145 PolarHBondContact N-O 2.93Å; G128-I145 WeakPolarHBondContact O-CB 3.48Å; G128-I145 PolarHBondContact O-N 2.52Å; Q130-I145 HydrophobicContact CB-CG1 3.89Å; Q130-I145 HydrophobicContact CG-CB 4.38Å; Q130-I145 HydrophobicContact CG-CG1 3.77Å; I145-L237 HydrophobicContact CD1-CD2 4.01Å; I145-E288 HydrophobicContact CD1-CG 4.26Å; I145-E288 HydrophobicContact CG2-CB 3.8Å; I145-E288 HydrophobicContact CG2-CG 4.04Å; I145-E288 VanDerWaalsContact CG2-OE2 3.28Å; I145-E288 WeakPolarHBondContact CG2-OE2 3.28Å; I145-L292 HydrophobicContact CD1-CD1 4.01Å; I145-L292 HydrophobicContact CD1-CD2 4.18Å; I145-L292 HydrophobicContact CD1-CG 4.21Å; I145-L292 HydrophobicContact CG1-CD1 4.46Å
146	N	97	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.			trans	-130.7	12.3	-176.2	68.3	-3.8	0	0	0	112.9	L110 L114 D116 Q144 L148 Q149 A150 R242	L110-N146 PolarHBondContact O-ND2 3.28Å; L114-N146 PolarHBondContact O-ND2 2.96Å; D116-N146 HydrophobicContact CB-CB 4.04Å; Q144-N146 HydrophobicContact CG-CB 4.46Å; Q144-N146 PolarHBondContact O-N 2.93Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 3.12Å; N146-Q149 PolarHBondContact O-N 3.41Å; N146-Q149 VanDerWaalsContact O-N 3.13Å; N146-A150 PolarHBondContact O-N 3.41Å; N146-R242 PolarHBondContact OD1-NH2 3.39Å
147	G	97.1	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-37	-171.4	0	0	0	0	0	113.1	Q149 A150 W151 R242 F285 E288	G147-Q149 VanDerWaalsContact C-N 3.33Å; G147-Q149 PolarHBondContact O-N 3.19Å; G147-A150 PolarHBondContact O-N 3.2Å; G147-W151 VanDerWaalsContact O-CB 3.27Å; G147-W151 WeakPolarHBondContact O-CB 3.18Å; G147-W151 PolarHBondContact O-N 3.5Å; G147-R242 VanDerWaalsContact CA-CZ 3.45Å; G147-R242 VanDerWaalsContact CA-NH2 3.3Å; G147-F285 VanDerWaalsContact C-CD1 3.49Å; G147-E288 VanDerWaalsContact CA-OE2 3.23Å; G147-E288 WeakPolarHBondContact CA-OE2 3.34Å; G147-E288 PolarHBondContact N-OE2 3.15Å
148	L	96.9	Very high	95.8	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-42.8	175.4	-176.2	60.9	0	0	0	111.5	L122 Y125 N146 W151 L152 I282 F285 W286	L122-L148 HydrophobicContact CD1-CD2 4.11Å; Y125-L148 HydrophobicContact CD2-CD2 4.19Å; Y125-L148 HydrophobicContact CE1-CD2 4.47Å; Y125-L148 HydrophobicContact CE2-CB 4.28Å; Y125-L148 HydrophobicContact CE2-CD2 3.95Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 3.12Å; L148-W151 PolarHBondContact O-N 3.08Å; L148-L152 HydrophobicContact CG-CD1 4.26Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 VanDerWaalsContact O-CG 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.07Å; L148-I282 HydrophobicContact CD1-CG2 4.48Å; L148-F285 HydrophobicContact CB-CB 4Å; L148-F285 HydrophobicContact CD1-CB 4.07Å; L148-W286 HydrophobicContact CD2-CE3 3.96Å; L148-W286 HydrophobicContact CD2-CZ3 4.45Å
149	Q	96.4	Very high	96.3	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-43.5	176.8	-63.2	-160.3	-38.3	0	0	112.5	L114 P115 D116 F117 C118 N146 G147 W151 L152 L153	L114-Q149 HydrophobicContact CD2-CB 3.74Å; P115-Q149 PolarHBondContact O-OE1 2.96Å; D116-Q149 VanDerWaalsContact CA-OE1 3.24Å; D116-Q149 VanDerWaalsContact OD1-CG 3.27Å; D116-Q149 WeakPolarHBondContact OD1-CG 3.33Å; D116-Q149 PolarHBondContact OD1-OE1 3.36Å; F117-Q149 VanDerWaalsContact N-CD 3.28Å; C118-Q149 HydrophobicContact CB-CG 3.81Å; C118-Q149 WeakPolarHBondContact SG-CG 3.48Å; C118-Q149 PolarHBondContact SG-NE2 2.81Å; N146-Q149 PolarHBondContact O-N 3.41Å; N146-Q149 VanDerWaalsContact O-N 3.13Å; G147-Q149 VanDerWaalsContact C-N 3.33Å; G147-Q149 PolarHBondContact O-N 3.19Å; Q149-W151 VanDerWaalsContact C-N 3.27Å; Q149-W151 PolarHBondContact O-N 3.24Å; Q149-L152 PolarHBondContact O-N 3.24Å; Q149-L153 WeakPolarHBondContact O-CB 3.43Å; Q149-L153 WeakPolarHBondContact O-CG 3.39Å; Q149-L153 PolarHBondContact O-N 3.04Å
150	A	97.5	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-41.6	176.3	0	0	0	0	0	111.1	L110 N146 G147 T154	L110-A150 HydrophobicContact CB-CB 4.13Å; L110-A150 HydrophobicContact CD1-CB 4.03Å; N146-A150 PolarHBondContact O-N 3.41Å; G147-A150 PolarHBondContact O-N 3.2Å; A150-T154 VanDerWaalsContact O-CB 3.27Å; A150-T154 WeakPolarHBondContact O-CB 3.42Å; A150-T154 PolarHBondContact O-N 2.92Å; A150-T154 PolarHBondContact O-OG1 2.8Å
151	W	97.7	Very high	96.9	Very high	29 Å²	29	33.3 Å²	33.3	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-50.4	174.1	-176.9	91.7	0	0	0	111.4	G147 L148 Q149 L153 T154 H155 V246 T249 I282 F285	G147-W151 VanDerWaalsContact O-CB 3.27Å; G147-W151 WeakPolarHBondContact O-CB 3.18Å; G147-W151 PolarHBondContact O-N 3.5Å; L148-W151 PolarHBondContact O-N 3.08Å; Q149-W151 VanDerWaalsContact C-N 3.27Å; Q149-W151 PolarHBondContact O-N 3.24Å; W151-L153 PolarHBondContact O-N 3.16Å; W151-T154 PolarHBondContact O-N 3.36Å; W151-H155 AromaticContact CD1-CE1 3.34Å; W151-H155 AromaticContact CD1-ND1 3.62Å; W151-H155 AromaticContact CD2-ND1 3.68Å; W151-H155 AromaticContact CE2-CE1 3.48Å; W151-H155 VanDerWaalsContact CE2-CE1 3.48Å; W151-H155 AromaticContact CE2-CG 3.85Å; W151-H155 AromaticContact CE2-ND1 3.49Å; W151-H155 AromaticContact CE2-NE2 3.79Å; W151-H155 AromaticContact CG-CE1 3.94Å; W151-H155 AromaticContact CG-ND1 3.75Å; W151-H155 AromaticContact CZ2-CD2 3.85Å; W151-H155 AromaticContact CZ2-CG 3.92Å; W151-H155 AromaticContact CZ2-NE2 3.97Å; W151-H155 AromaticContact NE1-CE1 3.04Å; W151-H155 PolarHBondContact NE1-CE1 2.97Å; W151-H155 AromaticContact NE1-ND1 3.49Å; W151-H155 PolarHBondContact NE1-ND1 3.42Å; W151-H155 AromaticContact NE1-NE2 3.51Å; W151-H155 PolarHBondContact O-N 3.47Å; W151-H155 PolarHBondContact O-ND1 2.96Å; W151-V246 HydrophobicContact CB-CG2 4.35Å; W151-T249 PolarHBondContact NE1-OG1 2.87Å; W151-I282 HydrophobicContact CE3-CG1 4.4Å; W151-I282 HydrophobicContact CH2-CD1 3.56Å; W151-I282 HydrophobicContact CH2-CG1 3.68Å; W151-I282 HydrophobicContact CZ2-CD1 3.97Å; W151-I282 HydrophobicContact CZ2-CG1 3.75Å; W151-I282 HydrophobicContact CZ3-CD1 4.11Å; W151-I282 HydrophobicContact CZ3-CG1 4Å; W151-F285 HydrophobicContact CB-CD2 3.84Å; W151-F285 HydrophobicContact CB-CE2 3.94Å; W151-F285 HydrophobicContact CB-CG 4.45Å; W151-F285 AromaticContact CD1-CD2 3.78Å; W151-F285 AromaticContact CD1-CE2 3.46Å; W151-F285 VanDerWaalsContact CD1-CE2 3.46Å; W151-F285 AromaticContact CG-CD2 3.85Å; W151-F285 HydrophobicContact CG-CD2 3.85Å; W151-F285 AromaticContact CG-CE2 3.9Å; W151-F285 HydrophobicContact CG-CE2 3.9Å
152	L	96.9	Very high	97	Very high	65 Å²	65	33.4 Å²	33.4	34%	0.34	17%	0.17	S	C	.	.	H	α-helix	trans	-57.7	-51.1	178.8	-76.5	168.6	0	0	0	111.5	L148 Q149 T154 H155 L156	L148-L152 HydrophobicContact CG-CD1 4.26Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 VanDerWaalsContact O-CG 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.07Å; Q149-L152 PolarHBondContact O-N 3.24Å; L152-T154 VanDerWaalsContact C-N 3.35Å; L152-T154 PolarHBondContact O-N 3.27Å; L152-H155 PolarHBondContact O-N 3.46Å; L152-L156 VanDerWaalsContact O-CB 3.27Å; L152-L156 WeakPolarHBondContact O-CB 3.41Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 3.3Å
153	L	97.4	Very high	97	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.366	18%	0.181	S	C	.	.	H	α-helix	trans	-60.3	-45.2	179.2	-69.6	175.9	0	0	0	111.5	L110 L114 Q149 W151 H155 L157	L110-L153 HydrophobicContact CD2-CD1 4.11Å; L114-L153 HydrophobicContact CD1-CD1 4.01Å; L114-L153 HydrophobicContact CD2-CD1 3.66Å; Q149-L153 WeakPolarHBondContact O-CB 3.43Å; Q149-L153 WeakPolarHBondContact O-CG 3.39Å; Q149-L153 PolarHBondContact O-N 3.04Å; W151-L153 PolarHBondContact O-N 3.16Å; L153-H155 PolarHBondContact O-N 3.43Å; L153-L157 WeakPolarHBondContact O-CB 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.35Å; L153-L157 PolarHBondContact O-N 3.32Å
154	T	97.7	Very high	97	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-47.4	178	-60.9	0	0	0	0	111.5	W103 Q107 A150 W151 L152 W158 V246 L250	W103-T154 HydrophobicContact CH2-CG2 4.03Å; W103-T154 HydrophobicContact CZ3-CG2 3.65Å; Q107-T154 PolarHBondContact NE2-OG1 3.3Å; A150-T154 VanDerWaalsContact O-CB 3.27Å; A150-T154 WeakPolarHBondContact O-CB 3.42Å; A150-T154 PolarHBondContact O-N 2.92Å; A150-T154 PolarHBondContact O-OG1 2.8Å; W151-T154 PolarHBondContact O-N 3.36Å; L152-T154 VanDerWaalsContact C-N 3.35Å; L152-T154 PolarHBondContact O-N 3.27Å; T154-W158 PolarHBondContact O-N 3.46Å; T154-W158 VanDerWaalsContact O-N 3.1Å; T154-V246 HydrophobicContact CG2-CG1 3.91Å; T154-L250 HydrophobicContact CG2-CD2 4.23Å
155	H	97.9	Very high	97	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.028	23%	0.226	C	C	.	.	H	α-helix	trans	-74.1	-39.8	-176.8	-72.3	70.8	0	0	0	112	W151 L152 L153 L157 W158 F159 T249	W151-H155 AromaticContact CD1-CE1 3.34Å; W151-H155 AromaticContact CD1-ND1 3.62Å; W151-H155 AromaticContact CD2-ND1 3.68Å; W151-H155 AromaticContact CE2-CE1 3.48Å; W151-H155 VanDerWaalsContact CE2-CE1 3.48Å; W151-H155 AromaticContact CE2-CG 3.85Å; W151-H155 AromaticContact CE2-ND1 3.49Å; W151-H155 AromaticContact CE2-NE2 3.79Å; W151-H155 AromaticContact CG-CE1 3.94Å; W151-H155 AromaticContact CG-ND1 3.75Å; W151-H155 AromaticContact CZ2-CD2 3.85Å; W151-H155 AromaticContact CZ2-CG 3.92Å; W151-H155 AromaticContact CZ2-NE2 3.97Å; W151-H155 AromaticContact NE1-CE1 3.04Å; W151-H155 PolarHBondContact NE1-CE1 2.97Å; W151-H155 AromaticContact NE1-ND1 3.49Å; W151-H155 PolarHBondContact NE1-ND1 3.42Å; W151-H155 AromaticContact NE1-NE2 3.51Å; W151-H155 PolarHBondContact O-N 3.47Å; W151-H155 PolarHBondContact O-ND1 2.96Å; L152-H155 PolarHBondContact O-N 3.46Å; L153-H155 PolarHBondContact O-N 3.43Å; H155-L157 VanDerWaalsContact C-N 3.32Å; H155-L157 PolarHBondContact O-N 3.45Å; H155-W158 PolarHBondContact O-N 3.38Å; H155-F159 WeakPolarHBondContact O-CD2 3.07Å; H155-F159 PolarHBondContact O-N 2.84Å; H155-T249 PolarHBondContact CE1-OG1 3.48Å; H155-T249 WeakPolarHBondContact NE2-CB 3.44Å; H155-T249 PolarHBondContact NE2-OG1 3.4Å
156	L	97.5	Very high	96.9	Very high	110 Å²	110	48.1 Å²	48.1	58%	0.576	26%	0.257	S	S	*	.	H	α-helix	trans	-61.1	-41.2	174.6	-72.6	173.1	0	0	0	111.6	L152 F159 A160	L152-L156 VanDerWaalsContact O-CB 3.27Å; L152-L156 WeakPolarHBondContact O-CB 3.41Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 3.3Å; L156-F159 PolarHBondContact O-N 2.98Å; L156-A160 VanDerWaalsContact O-CB 3.25Å; L156-A160 WeakPolarHBondContact O-CB 3.12Å; L156-A160 PolarHBondContact O-N 3.48Å
157	L	97.2	Very high	96.8	Very high	95 Å²	95	57.6 Å²	57.6	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-39.8	174.6	-72.9	171.3	0	0	0	111.9	F106 L153 H155 N161	F106-L157 HydrophobicContact CE1-CD1 4.45Å; F106-L157 HydrophobicContact CE2-CD1 4.26Å; F106-L157 HydrophobicContact CZ-CD1 3.64Å; L153-L157 WeakPolarHBondContact O-CB 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.35Å; L153-L157 PolarHBondContact O-N 3.32Å; H155-L157 VanDerWaalsContact C-N 3.32Å; H155-L157 PolarHBondContact O-N 3.45Å; L157-N161 WeakPolarHBondContact O-CB 3.39Å; L157-N161 PolarHBondContact O-N 3.46Å
158	W	97.4	Very high	96.7	Very high	21 Å²	21	61.7 Å²	61.7	8%	0.08	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-45.7	174.6	-176.1	92	0	0	0	111.9	T154 H155 N161 A162 P170 L250 L253	T154-W158 PolarHBondContact O-N 3.46Å; T154-W158 VanDerWaalsContact O-N 3.1Å; H155-W158 PolarHBondContact O-N 3.38Å; W158-N161 PolarHBondContact O-N 2.72Å; W158-A162 HydrophobicContact CE3-CB 4.41Å; W158-A162 HydrophobicContact CH2-CB 4.37Å; W158-A162 HydrophobicContact CZ3-CB 4.24Å; W158-A162 WeakPolarHBondContact O-CB 3.47Å; W158-A162 PolarHBondContact O-N 2.84Å; W158-P170 HydrophobicContact CH2-CB 4.25Å; W158-P170 HydrophobicContact CZ2-CB 3.67Å; W158-L250 HydrophobicContact CB-CD1 3.69Å; W158-L250 VanDerWaalsContact CD1-CD1 3.48Å; W158-L250 HydrophobicContact CD2-CD1 4.29Å; W158-L250 HydrophobicContact CG-CD1 3.53Å; W158-L253 HydrophobicContact CE3-CB 4.45Å; W158-L253 HydrophobicContact CE3-CD1 4Å; W158-L253 HydrophobicContact CH2-CB 3.8Å; W158-L253 HydrophobicContact CZ2-CB 3.95Å; W158-L253 HydrophobicContact CZ3-CB 4.06Å; W158-L253 HydrophobicContact CZ3-CD1 4.08Å; W158-L253 HydrophobicContact CZ3-CD2 4.44Å; W158-L253 HydrophobicContact CZ3-CG 4.44Å
159	F	97.7	Very high	96.7	Very high	86 Å²	86	63.5 Å²	63.5	38%	0.377	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-42.3	176.4	-81	-67	0	0	0	112.1	H155 L156 N161 A162 H163 L253	H155-F159 WeakPolarHBondContact O-CD2 3.07Å; H155-F159 PolarHBondContact O-N 2.84Å; L156-F159 PolarHBondContact O-N 2.98Å; F159-N161 VanDerWaalsContact C-N 3.3Å; F159-N161 PolarHBondContact O-N 2.81Å; F159-A162 PolarHBondContact O-N 3.38Å; F159-H163 AromaticContact CD1-CD2 3.97Å; F159-H163 AromaticContact CD1-NE2 3.86Å; F159-H163 WeakPolarHBondContact O-CB 3.18Å; F159-H163 PolarHBondContact O-CD2 3.08Å; F159-H163 VanDerWaalsContact O-CD2 3.32Å; F159-H163 PolarHBondContact O-N 2.86Å; F159-L253 HydrophobicContact CE2-CD1 4.17Å; F159-L253 HydrophobicContact CZ-CD1 4.09Å; F159-L253 HydrophobicContact CZ-CD2 4.17Å
160	A	97.9	Very high	96.8	Very high	29 Å²	29	64.6 Å²	64.6	24%	0.24	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-41.4	174	0	0	0	0	0	111	L156 L164 L165	L156-A160 VanDerWaalsContact O-CB 3.25Å; L156-A160 WeakPolarHBondContact O-CB 3.12Å; L156-A160 PolarHBondContact O-N 3.48Å; A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.28Å; A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 2.06Å; A160-L165 HydrophobicContact CB-CD1 4.44Å; A160-L165 PolarHBondContact O-N 3.48Å
161	N	97.3	Very high	96.8	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.011	33%	0.333	C	S	.	.	I	π-helix	trans	-63.4	-48	172.8	174.6	75	0	0	0	112.4	L157 W158 F159 H163 S166 W167 F168	L157-N161 WeakPolarHBondContact O-CB 3.39Å; L157-N161 PolarHBondContact O-N 3.46Å; W158-N161 PolarHBondContact O-N 2.72Å; F159-N161 VanDerWaalsContact C-N 3.3Å; F159-N161 PolarHBondContact O-N 2.81Å; N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 PolarHBondContact O-N 3.49Å; N161-S166 WeakPolarHBondContact O-CA 3.39Å; N161-S166 PolarHBondContact O-N 2.85Å; N161-W167 WeakPolarHBondContact OD1-CA 3.46Å; N161-W167 WeakPolarHBondContact OD1-CB 3.24Å; N161-W167 PolarHBondContact OD1-N 3.1Å; N161-F168 HydrophobicContact CB-CE1 3.97Å; N161-F168 HydrophobicContact CB-CE2 4.4Å; N161-F168 HydrophobicContact CB-CZ 3.84Å; N161-F168 VanDerWaalsContact CG-CE1 3.45Å; N161-F168 VanDerWaalsContact CG-CZ 3.5Å; N161-F168 VanDerWaalsContact ND2-CD2 3.26Å; N161-F168 WeakPolarHBondContact ND2-CD2 3.19Å; N161-F168 WeakPolarHBondContact ND2-CE2 3.46Å; N161-F168 WeakPolarHBondContact ND2-CZ 3.18Å; N161-F168 PolarHBondContact ND2-O 3.19Å; N161-F168 WeakPolarHBondContact OD1-CD1 3.35Å; N161-F168 PolarHBondContact OD1-N 3.35Å; N161-F168 VanDerWaalsContact OD1-N 3.09Å
162	A	95.5	Very high	96.9	Very high	25 Å²	25	64.2 Å²	64.2	21%	0.207	33%	0.333	C	S	.	.	I	π-helix	trans	-65.2	-30.8	-175.8	0	0	0	0	0	113.6	W158 F159 P170	W158-A162 HydrophobicContact CE3-CB 4.41Å; W158-A162 HydrophobicContact CH2-CB 4.37Å; W158-A162 HydrophobicContact CZ3-CB 4.24Å; W158-A162 WeakPolarHBondContact O-CB 3.47Å; W158-A162 PolarHBondContact O-N 2.84Å; F159-A162 PolarHBondContact O-N 3.38Å; A162-P170 HydrophobicContact CB-CB 4.05Å
163	H	95.1	Very high	96.9	Very high	131 Å²	131	62.4 Å²	62.4	61%	0.606	32%	0.323	S	S	*	.	I	π-helix	trans	-114.5	-22	-172.5	-63.8	-61.6	0	0	0	115.6	F159 N161	F159-H163 AromaticContact CD1-CD2 3.97Å; F159-H163 AromaticContact CD1-NE2 3.86Å; F159-H163 WeakPolarHBondContact O-CB 3.18Å; F159-H163 PolarHBondContact O-CD2 3.08Å; F159-H163 VanDerWaalsContact O-CD2 3.32Å; F159-H163 PolarHBondContact O-N 2.86Å; N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 PolarHBondContact O-N 3.49Å
164	L	96.5	Very high	97	Very high	141 Å²	141	60.3 Å²	60.3	74%	0.738	31%	0.311	S	S	*	.	I	π-helix	trans	-122.9	-49.4	-172.7	-53.1	174.6	0	0	0	112.9	A160	A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.28Å; A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 2.06Å
165	L	96.3	Very high	97	Very high	74 Å²	74	63.4 Å²	63.4	39%	0.387	33%	0.327	S	S	.	.	I	π-helix	trans	-90.8	-34.8	-168.3	-53.3	170.6	0	0	0	113.5	A160 W167	A160-L165 HydrophobicContact CB-CD1 4.44Å; A160-L165 PolarHBondContact O-N 3.48Å; L165-W167 HydrophobicContact CB-CD2 3.96Å; L165-W167 HydrophobicContact CB-CG 3.96Å; L165-W167 HydrophobicContact CB-CZ2 4.5Å; L165-W167 HydrophobicContact CD1-CD2 4.07Å; L165-W167 HydrophobicContact CD1-CE3 4.02Å; L165-W167 HydrophobicContact CD1-CH2 3.9Å; L165-W167 HydrophobicContact CD1-CZ2 3.94Å; L165-W167 HydrophobicContact CD1-CZ3 3.94Å; L165-W167 HydrophobicContact CD2-CZ2 4.07Å; L165-W167 HydrophobicContact CG-CZ2 4.4Å; L165-W167 VanDerWaalsContact O-CD1 3.28Å; L165-W167 PolarHBondContact O-N 3.29Å; L165-W167 VanDerWaalsContact O-N 3.11Å
166	S	94.4	Very high	97	Very high	92 Å²	92	63.7 Å²	63.7	64%	0.643	33%	0.329	S	S	*	.			trans	49.7	33.2	-176.2	-56.2	0	0	0	0	114.3	N161 F168	N161-S166 WeakPolarHBondContact O-CA 3.39Å; N161-S166 PolarHBondContact O-N 2.85Å; S166-F168 VanDerWaalsContact C-N 3.31Å; S166-F168 PolarHBondContact O-N 3.44Å
167	W	95	Very high	97	Very high	199 Å²	199	59.1 Å²	59.1	75%	0.754	30%	0.304	S	S	*	.	S	Bend	trans	-69	-30	179.1	-65.4	-14.5	0	0	0	112.6	N161 L165	N161-W167 WeakPolarHBondContact OD1-CA 3.46Å; N161-W167 WeakPolarHBondContact OD1-CB 3.24Å; N161-W167 PolarHBondContact OD1-N 3.1Å; L165-W167 HydrophobicContact CB-CD2 3.96Å; L165-W167 HydrophobicContact CB-CG 3.96Å; L165-W167 HydrophobicContact CB-CZ2 4.5Å; L165-W167 HydrophobicContact CD1-CD2 4.07Å; L165-W167 HydrophobicContact CD1-CE3 4.02Å; L165-W167 HydrophobicContact CD1-CH2 3.9Å; L165-W167 HydrophobicContact CD1-CZ2 3.94Å; L165-W167 HydrophobicContact CD1-CZ3 3.94Å; L165-W167 HydrophobicContact CD2-CZ2 4.07Å; L165-W167 HydrophobicContact CG-CZ2 4.4Å; L165-W167 VanDerWaalsContact O-CD1 3.28Å; L165-W167 PolarHBondContact O-N 3.29Å; L165-W167 VanDerWaalsContact O-N 3.11Å
168	F	95.4	Very high	97.1	Very high	85 Å²	85	55 Å²	55	37%	0.373	28%	0.282	S	S	.	.	S	Bend	trans	-146.7	158.6	173.3	57.2	-93.4	0	0	0	111.4	N161 S166 I172	N161-F168 HydrophobicContact CB-CE1 3.97Å; N161-F168 HydrophobicContact CB-CE2 4.4Å; N161-F168 HydrophobicContact CB-CZ 3.84Å; N161-F168 VanDerWaalsContact CG-CE1 3.45Å; N161-F168 VanDerWaalsContact CG-CZ 3.5Å; N161-F168 VanDerWaalsContact ND2-CD2 3.26Å; N161-F168 WeakPolarHBondContact ND2-CD2 3.19Å; N161-F168 WeakPolarHBondContact ND2-CE2 3.46Å; N161-F168 WeakPolarHBondContact ND2-CZ 3.18Å; N161-F168 PolarHBondContact ND2-O 3.19Å; N161-F168 WeakPolarHBondContact OD1-CD1 3.35Å; N161-F168 PolarHBondContact OD1-N 3.35Å; N161-F168 VanDerWaalsContact OD1-N 3.09Å; S166-F168 VanDerWaalsContact C-N 3.31Å; S166-F168 PolarHBondContact O-N 3.44Å; F168-I172 HydrophobicContact CB-CD1 4.01Å; F168-I172 HydrophobicContact CD2-CB 4.49Å; F168-I172 HydrophobicContact CD2-CD1 4.42Å; F168-I172 HydrophobicContact CD2-CG2 3.82Å; F168-I172 HydrophobicContact CE2-CG2 4.22Å; F168-I172 HydrophobicContact CG-CD1 4.48Å
169	S	97.1	Very high	97.1	Very high	48 Å²	48	54.5 Å²	54.5	34%	0.336	28%	0.282	S	S	.	.			trans	-62.8	136.2	179	-175.1	0	0	0	0	111.7	T171 I172	S169-T171 PolarHBondContact O-N 3.23Å; S169-T171 VanDerWaalsContact O-N 3.13Å; S169-T171 PolarHBondContact OG-N 2.63Å; S169-T171 PolarHBondContact OG-OG1 2.84Å; S169-I172 VanDerWaalsContact O-CB 3.23Å; S169-I172 WeakPolarHBondContact O-CB 3.41Å; S169-I172 WeakPolarHBondContact O-CG2 3.31Å; S169-I172 PolarHBondContact O-N 2.94Å; S169-I172 VanDerWaalsContact O-N 3.1Å
170	P	97.8	Very high	97.1	Very high	41 Å²	41	51 Å²	51	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.8	171.5	27.7	-35.3	0	0	0	112.9	W158 A162 S254 A257	W158-P170 HydrophobicContact CH2-CB 4.25Å; W158-P170 HydrophobicContact CZ2-CB 3.67Å; A162-P170 HydrophobicContact CB-CB 4.05Å; P170-S254 WeakPolarHBondContact O-CA 3.46Å; P170-S254 PolarHBondContact O-OG 2.83Å; P170-A257 HydrophobicContact CB-CB 3.88Å; P170-A257 HydrophobicContact CG-CB 4.21Å
171	T	98.1	Very high	97.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.3	177.5	57.8	0	0	0	0	114	S169 I173 F174 D175 S254 A257 K258 E261	S169-T171 PolarHBondContact O-N 3.23Å; S169-T171 VanDerWaalsContact O-N 3.13Å; S169-T171 PolarHBondContact OG-N 2.63Å; S169-T171 PolarHBondContact OG-OG1 2.84Å; T171-I173 PolarHBondContact O-N 3.04Å; T171-F174 PolarHBondContact O-N 3.14Å; T171-D175 PolarHBondContact O-N 3.45Å; T171-D175 PolarHBondContact OG1-OD2 2.78Å; T171-S254 VanDerWaalsContact C-OG 3.32Å; T171-S254 WeakPolarHBondContact CA-OG 3.44Å; T171-S254 PolarHBondContact O-OG 3.04Å; T171-A257 HydrophobicContact CG2-CB 3.83Å; T171-K258 HydrophobicContact CG2-CB 4.03Å; T171-K258 HydrophobicContact CG2-CD 4.02Å; T171-E261 HydrophobicContact CG2-CB 4.37Å; T171-E261 WeakPolarHBondContact CG2-OE2 3.41Å; T171-E261 PolarHBondContact OG1-OE2 3.43Å; T171-E261 VanDerWaalsContact OG1-OE2 3.11Å
172	I	98	Very high	97.2	Very high	19 Å²	19	52.2 Å²	52.2	10%	0.097	27%	0.265	C	S	.	.	H	α-helix	trans	-55.4	-31.6	-169	-167.2	163.4	0	0	0	114.9	L99 F168 S169 N176	L99-I172 HydrophobicContact CD1-CD1 3.79Å; L99-I172 HydrophobicContact CD1-CG1 3.72Å; L99-I172 HydrophobicContact CD2-CD1 3.59Å; L99-I172 HydrophobicContact CD2-CG1 4.34Å; L99-I172 HydrophobicContact CG-CD1 4.34Å; F168-I172 HydrophobicContact CB-CD1 4.01Å; F168-I172 HydrophobicContact CD2-CB 4.49Å; F168-I172 HydrophobicContact CD2-CD1 4.42Å; F168-I172 HydrophobicContact CD2-CG2 3.82Å; F168-I172 HydrophobicContact CE2-CG2 4.22Å; F168-I172 HydrophobicContact CG-CD1 4.48Å; S169-I172 VanDerWaalsContact O-CB 3.23Å; S169-I172 WeakPolarHBondContact O-CB 3.41Å; S169-I172 WeakPolarHBondContact O-CG2 3.31Å; S169-I172 PolarHBondContact O-N 2.94Å; S169-I172 VanDerWaalsContact O-N 3.1Å; I172-N176 PolarHBondContact O-N 3.37Å; I172-N176 PolarHBondContact O-ND2 3.27Å
173	I	98.2	Very high	97.3	Very high	27 Å²	27	51.6 Å²	51.6	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-72.3	-48.3	178.8	-58.6	174.4	0	0	0	109.6	T171 D175 N176 W177 L180 L250 I251 S254	T171-I173 PolarHBondContact O-N 3.04Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.16Å; I173-N176 CarbonylContact O-C 3.44Å; I173-N176 PolarHBondContact O-N 2.85Å; I173-W177 HydrophobicContact CG2-CE3 3.98Å; I173-W177 HydrophobicContact CG2-CZ3 4.11Å; I173-W177 WeakPolarHBondContact O-CA 3.16Å; I173-W177 PolarHBondContact O-N 3.27Å; I173-L180 HydrophobicContact CG2-CD1 4.15Å; I173-L250 HydrophobicContact CD1-CB 4.49Å; I173-L250 HydrophobicContact CD1-CD2 3.99Å; I173-L250 HydrophobicContact CD1-CG 3.75Å; I173-I251 HydrophobicContact CG2-CG1 3.99Å; I173-S254 WeakPolarHBondContact CB-OG 3.46Å; I173-S254 PolarHBondContact N-OG 3.24Å
174	F	98.4	Very high	97.5	Very high	26 Å²	26	45.3 Å²	45.3	11%	0.114	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-46.4	174.7	-176.5	-83.3	0	0	0	111.1	T171 N176 W177 S254 F255 K258 L323 V326 Y327	T171-F174 PolarHBondContact O-N 3.14Å; F174-N176 PolarHBondContact O-N 2.82Å; F174-N176 VanDerWaalsContact O-N 3.09Å; F174-W177 WeakPolarHBondContact O-CB 3.06Å; F174-W177 PolarHBondContact O-N 3.37Å; F174-S254 PolarHBondContact N-OG 3.47Å; F174-S254 VanDerWaalsContact N-OG 3.16Å; F174-F255 HydrophobicContact CB-CD1 3.98Å; F174-F255 HydrophobicContact CB-CE1 4.18Å; F174-F255 AromaticContact CD2-CD1 3.57Å; F174-F255 HydrophobicContact CD2-CD1 3.57Å; F174-F255 AromaticContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CG-CD1 4.26Å; F174-F255 HydrophobicContact CG-CE1 4.41Å; F174-K258 HydrophobicContact CB-CB 4.08Å; F174-K258 HydrophobicContact CB-CD 4.48Å; F174-K258 HydrophobicContact CB-CG 4.25Å; F174-K258 HydrophobicContact CD1-CB 4.14Å; F174-K258 HydrophobicContact CD1-CD 3.51Å; F174-K258 HydrophobicContact CD1-CG 3.38Å; F174-K258 HydrophobicContact CD2-CB 4.29Å; F174-K258 HydrophobicContact CD2-CG 4.15Å; F174-K258 HydrophobicContact CE1-CD 3.96Å; F174-K258 HydrophobicContact CE1-CG 3.66Å; F174-K258 HydrophobicContact CE2-CG 4.37Å; F174-K258 HydrophobicContact CG-CB 3.9Å; F174-K258 HydrophobicContact CG-CD 4.11Å; F174-K258 HydrophobicContact CG-CG 3.65Å; F174-K258 HydrophobicContact CZ-CG 4.14Å; F174-L323 HydrophobicContact CD2-CD1 4.31Å; F174-L323 HydrophobicContact CE2-CD1 3.84Å; F174-V326 HydrophobicContact CD2-CG1 4.23Å; F174-V326 HydrophobicContact CD2-CG2 4.12Å; F174-V326 HydrophobicContact CE1-CG1 4.44Å; F174-V326 HydrophobicContact CE2-CB 3.83Å; F174-V326 HydrophobicContact CE2-CG1 3.53Å; F174-V326 HydrophobicContact CE2-CG2 3.93Å; F174-V326 HydrophobicContact CZ-CB 4.37Å; F174-V326 HydrophobicContact CZ-CG1 3.65Å; F174-Y327 HydrophobicContact CE2-CE2 4.18Å; F174-Y327 HydrophobicContact CZ-CE2 4.13Å; F174-Y327 AromaticContact CZ-CZ 3.94Å
175	D	98.1	Very high	97.5	Very high	72 Å²	72	39.4 Å²	39.4	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-20.9	-177.1	-64.8	-20.8	0	0	0	113.3	T171 I173 K258	T171-D175 PolarHBondContact O-N 3.45Å; T171-D175 PolarHBondContact OG1-OD2 2.78Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.16Å; D175-K258 IonicContact OD1-NZ 2.76Å; D175-K258 PolarHBondContact OD1-NZ 3.41Å
176	N	98.2	Very high	97.6	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.07	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	18.9	178	-63.5	-94.4	0	0	0	111.8	A96 L99 I172 I173 F174 I178 P179 L180	A96-N176 HydrophobicContact CB-CB 4.39Å; L99-N176 HydrophobicContact CD1-CB 4.48Å; I172-N176 PolarHBondContact O-N 3.37Å; I172-N176 PolarHBondContact O-ND2 3.27Å; I173-N176 CarbonylContact O-C 3.44Å; I173-N176 PolarHBondContact O-N 2.85Å; F174-N176 PolarHBondContact O-N 2.82Å; F174-N176 VanDerWaalsContact O-N 3.09Å; N176-I178 PolarHBondContact O-N 2.91Å; N176-P179 VanDerWaalsContact O-CD 3.3Å; N176-P179 WeakPolarHBondContact O-CD 3.37Å; N176-L180 HydrophobicContact CB-CD1 4.02Å; N176-L180 HydrophobicContact CB-CG 4.07Å; N176-L180 WeakPolarHBondContact O-CB 3.48Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3.21Å
177	W	98.1	Very high	97.7	Very high	14 Å²	14	38.2 Å²	38.2	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-46.9	-166.8	-174.7	-126.2	0	0	0	113.8	I58 I173 F174 L180 L181 I251 F255 Y316	I58-W177 HydrophobicContact CD1-CZ2 4.48Å; I173-W177 HydrophobicContact CG2-CE3 3.98Å; I173-W177 HydrophobicContact CG2-CZ3 4.11Å; I173-W177 WeakPolarHBondContact O-CA 3.16Å; I173-W177 PolarHBondContact O-N 3.27Å; F174-W177 WeakPolarHBondContact O-CB 3.06Å; F174-W177 PolarHBondContact O-N 3.37Å; W177-L180 PolarHBondContact O-N 3.44Å; W177-L181 PolarHBondContact O-N 3.46Å; W177-L181 VanDerWaalsContact O-N 3.13Å; W177-I251 HydrophobicContact CH2-CD1 4Å; W177-I251 HydrophobicContact CH2-CG1 4.37Å; W177-I251 HydrophobicContact CH2-CG2 3.74Å; W177-I251 HydrophobicContact CZ3-CD1 3.96Å; W177-I251 HydrophobicContact CZ3-CG1 3.98Å; W177-I251 HydrophobicContact CZ3-CG2 3.76Å; W177-F255 HydrophobicContact CD2-CE1 4.26Å; W177-F255 HydrophobicContact CD2-CZ 4.04Å; W177-F255 AromaticContact CE2-CZ 3.81Å; W177-F255 HydrophobicContact CE3-CE1 4.36Å; W177-F255 HydrophobicContact CE3-CZ 4.26Å; W177-F255 HydrophobicContact CH2-CZ 4.1Å; W177-F255 AromaticContact CZ2-CZ 3.83Å; W177-F255 HydrophobicContact CZ2-CZ 3.83Å; W177-F255 HydrophobicContact CZ3-CZ 4.31Å; W177-Y316 HydrophobicContact CD2-CD1 4.28Å; W177-Y316 AromaticContact CD2-CE1 3.77Å; W177-Y316 HydrophobicContact CD2-CE1 3.77Å; W177-Y316 AromaticContact CE2-CD1 3.53Å; W177-Y316 AromaticContact CE2-CE1 3.52Å; W177-Y316 AromaticContact CE3-CE1 3.91Å; W177-Y316 HydrophobicContact CE3-CE1 3.91Å; W177-Y316 AromaticContact CH2-CD1 3.59Å; W177-Y316 HydrophobicContact CH2-CD1 3.59Å; W177-Y316 HydrophobicContact CH2-CD2 4.37Å; W177-Y316 AromaticContact CH2-CE1 3.59Å; W177-Y316 HydrophobicContact CH2-CE1 3.59Å; W177-Y316 HydrophobicContact CH2-CE2 4.39Å; W177-Y316 AromaticContact CH2-CG 3.97Å; W177-Y316 HydrophobicContact CH2-CG 3.97Å; W177-Y316 AromaticContact CH2-CZ 3.98Å; W177-Y316 AromaticContact CZ2-CD1 3.17Å; W177-Y316 HydrophobicContact CZ2-CD1 3.17Å; W177-Y316 AromaticContact CZ2-CE1 3.46Å; W177-Y316 HydrophobicContact CZ2-CE1 3.46Å; W177-Y316 VanDerWaalsContact CZ2-CE1 3.46Å; W177-Y316 AromaticContact CZ2-CG 3.83Å; W177-Y316 HydrophobicContact CZ2-CG 3.83Å; W177-Y316 HydrophobicContact CZ3-CD1 4.29Å; W177-Y316 AromaticContact CZ3-CE1 3.81Å; W177-Y316 HydrophobicContact CZ3-CE1 3.81Å; W177-Y316 AromaticContact CZ3-CZ 3.97Å
178	I	98.2	Very high	97.9	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-72.9	-46.6	179.4	-60.8	161	0	0	0	111.7	I58 M59 D62 T89 P90 N176 L180 L181 W182	I58-I178 HydrophobicContact CG2-CD1 4.45Å; I58-I178 HydrophobicContact CG2-CG1 3.73Å; M59-I178 HydrophobicContact CE-CB 4.45Å; M59-I178 HydrophobicContact CE-CD1 3.44Å; M59-I178 VanDerWaalsContact CE-CD1 3.44Å; M59-I178 HydrophobicContact CE-CG1 3.64Å; M59-I178 HydrophobicContact CE-CG2 3.97Å; D62-I178 HydrophobicContact CB-CD1 3.86Å; D62-I178 VanDerWaalsContact CG-CD1 3.41Å; T89-I178 HydrophobicContact CG2-CG2 4.14Å; P90-I178 HydrophobicContact CB-CB 4.25Å; P90-I178 HydrophobicContact CB-CG2 4.18Å; P90-I178 HydrophobicContact CG-CB 4.25Å; P90-I178 HydrophobicContact CG-CD1 3.91Å; P90-I178 HydrophobicContact CG-CG2 4.34Å; N176-I178 PolarHBondContact O-N 2.91Å; I178-L180 PolarHBondContact O-N 3.1Å; I178-L181 VanDerWaalsContact O-CB 3.25Å; I178-L181 WeakPolarHBondContact O-CB 3.42Å; I178-L181 PolarHBondContact O-N 3.43Å; I178-W182 PolarHBondContact O-N 2.77Å
179	P	98.4	Very high	97.9	Very high	10 Å²	10	28.4 Å²	28.4	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-55.1	-34.8	170.9	-31.3	37.9	0	0	0	114.6	P90 T93 A96 N176 L181 C183	P90-P179 HydrophobicContact CB-CG 4.2Å; T93-P179 HydrophobicContact CG2-CB 4.23Å; T93-P179 HydrophobicContact CG2-CG 3.98Å; A96-P179 HydrophobicContact CB-CB 3.32Å; N176-P179 VanDerWaalsContact O-CD 3.3Å; N176-P179 WeakPolarHBondContact O-CD 3.37Å; P179-L181 VanDerWaalsContact C-N 3.35Å; P179-C183 PolarHBondContact O-N 3.12Å; P179-C183 PolarHBondContact O-SG 3.37Å
180	L	98.3	Very high	98	Very high	13 Å²	13	28.6 Å²	28.6	7%	0.068	15%	0.15	C	C	.	.	H	α-helix	trans	-70.1	-29.2	175	-70.1	169.4	0	0	0	112.2	A96 L99 Y100 I173 N176 W177 I178 W182 C183 A184 Y316	A96-L180 HydrophobicContact CB-CD2 4.2Å; A96-L180 HydrophobicContact CB-CG 4.36Å; L99-L180 HydrophobicContact CB-CD2 4.44Å; Y100-L180 HydrophobicContact CD2-CD2 4.01Å; Y100-L180 HydrophobicContact CG-CD2 4.42Å; I173-L180 HydrophobicContact CG2-CD1 4.15Å; N176-L180 HydrophobicContact CB-CD1 4.02Å; N176-L180 HydrophobicContact CB-CG 4.07Å; N176-L180 WeakPolarHBondContact O-CB 3.48Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3.21Å; W177-L180 PolarHBondContact O-N 3.44Å; I178-L180 PolarHBondContact O-N 3.1Å; L180-W182 VanDerWaalsContact C-N 3.29Å; L180-W182 PolarHBondContact O-N 3.4Å; L180-C183 WeakPolarHBondContact O-CB 3.46Å; L180-C183 PolarHBondContact O-N 3.12Å; L180-A184 WeakPolarHBondContact O-CB 3.23Å; L180-A184 PolarHBondContact O-N 3.49Å; L180-Y316 WeakPolarHBondContact CB-OH 3.41Å; L180-Y316 PolarHBondContact O-OH 2.88Å
181	L	98.2	Very high	98	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-40.8	176.2	175.8	61.9	0	0	0	110.8	V54 I58 W177 I178 P179 A184 N185 V312 Y316	V54-L181 HydrophobicContact CG1-CD1 3.73Å; I58-L181 HydrophobicContact CB-CD2 4.41Å; I58-L181 HydrophobicContact CG1-CD2 4.2Å; W177-L181 PolarHBondContact O-N 3.46Å; W177-L181 VanDerWaalsContact O-N 3.13Å; I178-L181 VanDerWaalsContact O-CB 3.25Å; I178-L181 WeakPolarHBondContact O-CB 3.42Å; I178-L181 PolarHBondContact O-N 3.43Å; P179-L181 VanDerWaalsContact C-N 3.35Å; L181-A184 PolarHBondContact O-N 3.34Å; L181-N185 WeakPolarHBondContact CD1-ND2 3.31Å; L181-N185 PolarHBondContact O-N 3.39Å; L181-N185 PolarHBondContact O-ND2 3Å; L181-V312 HydrophobicContact CD1-CG1 3.83Å; L181-Y316 VanDerWaalsContact CA-CZ 3.45Å; L181-Y316 WeakPolarHBondContact CA-OH 3.38Å; L181-Y316 HydrophobicContact CB-CD1 4.34Å; L181-Y316 HydrophobicContact CB-CE1 3.58Å; L181-Y316 HydrophobicContact CD1-CD1 3.76Å; L181-Y316 HydrophobicContact CD1-CD2 4.02Å; L181-Y316 HydrophobicContact CD1-CE1 3.77Å; L181-Y316 HydrophobicContact CD1-CE2 4.02Å; L181-Y316 HydrophobicContact CD1-CG 3.91Å; L181-Y316 HydrophobicContact CG-CD1 4.49Å; L181-Y316 HydrophobicContact CG-CE1 4.19Å; L181-Y316 PolarHBondContact N-OH 3.49Å
182	W	98	Very high	97.9	Very high	56 Å²	56	27 Å²	27	21%	0.212	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-43.4	175.5	-57.2	127	0	0	0	111.8	Y55 W86 T89 P90 I92 I178 L180 A184 N185 I186	Y55-W182 AromaticContact CD2-CH2 3.59Å; Y55-W182 HydrophobicContact CD2-CH2 3.59Å; Y55-W182 AromaticContact CD2-CZ2 4Å; Y55-W182 HydrophobicContact CD2-CZ2 4Å; Y55-W182 AromaticContact CE2-CH2 3.85Å; Y55-W182 HydrophobicContact CE2-CH2 3.85Å; Y55-W182 AromaticContact CE2-CZ2 3.96Å; Y55-W182 HydrophobicContact CE2-CZ2 3.96Å; W86-W182 HydrophobicContact CH2-CH2 4.04Å; W86-W182 HydrophobicContact CH2-CZ2 4.47Å; W86-W182 HydrophobicContact CZ3-CH2 4.03Å; T89-W182 HydrophobicContact CG2-CZ2 3.68Å; P90-W182 PolarHBondContact O-NE1 3.45Å; I92-W182 HydrophobicContact CB-CB 4.26Å; I178-W182 PolarHBondContact O-N 2.77Å; L180-W182 VanDerWaalsContact C-N 3.29Å; L180-W182 PolarHBondContact O-N 3.4Å; W182-A184 VanDerWaalsContact C-N 3.33Å; W182-A184 PolarHBondContact O-N 2.79Å; W182-N185 PolarHBondContact O-N 3.01Å; W182-I186 VanDerWaalsContact O-CG1 3.31Å; W182-I186 WeakPolarHBondContact O-CG1 3.33Å; W182-I186 PolarHBondContact O-N 2.87Å
183	C	98.2	Very high	97.9	Very high	11 Å²	11	29 Å²	29	7%	0.074	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-42.8	176.7	-59.1	0	0	0	0	111.7	Y100 P179 L180 I186 L187	Y100-C183 HydrophobicContact CD1-CB 3.62Å; Y100-C183 HydrophobicContact CD2-CB 4.24Å; Y100-C183 HydrophobicContact CE1-CB 4.23Å; Y100-C183 HydrophobicContact CG-CB 3.62Å; P179-C183 PolarHBondContact O-N 3.12Å; P179-C183 PolarHBondContact O-SG 3.37Å; L180-C183 WeakPolarHBondContact O-CB 3.46Å; L180-C183 PolarHBondContact O-N 3.12Å; C183-I186 PolarHBondContact O-N 3.44Å; C183-L187 PolarHBondContact O-N 2.88Å
184	A	98	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-40.7	177.9	0	0	0	0	0	112.4	Y100 L180 L181 W182 L187 G188 V312 Y316	Y100-A184 HydrophobicContact CE2-CB 4.15Å; Y100-A184 WeakPolarHBondContact OH-CA 3.06Å; Y100-A184 WeakPolarHBondContact OH-CB 3.32Å; L180-A184 WeakPolarHBondContact O-CB 3.23Å; L180-A184 PolarHBondContact O-N 3.49Å; L181-A184 PolarHBondContact O-N 3.34Å; W182-A184 VanDerWaalsContact C-N 3.33Å; W182-A184 PolarHBondContact O-N 2.79Å; A184-L187 PolarHBondContact O-N 3.5Å; A184-G188 PolarHBondContact O-N 3.39Å; A184-V312 VanDerWaalsContact C-CG2 3.45Å; A184-V312 HydrophobicContact CB-CG2 3.95Å; A184-V312 WeakPolarHBondContact O-CG2 3.18Å; A184-Y316 HydrophobicContact CB-CE2 3.93Å
185	N	97.7	Very high	97.8	Very high	17 Å²	17	31 Å²	31	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-49.8	172.9	-86.3	-78.9	0	0	0	111.2	L181 W182 L187 G188 Y189 W308	L181-N185 WeakPolarHBondContact CD1-ND2 3.31Å; L181-N185 PolarHBondContact O-N 3.39Å; L181-N185 PolarHBondContact O-ND2 3Å; W182-N185 PolarHBondContact O-N 3.01Å; N185-L187 VanDerWaalsContact C-N 3.29Å; N185-L187 PolarHBondContact O-N 3.42Å; N185-G188 PolarHBondContact O-N 2.87Å; N185-G188 VanDerWaalsContact O-N 3.16Å; N185-Y189 VanDerWaalsContact O-CD2 3.3Å; N185-Y189 WeakPolarHBondContact O-CD2 3.34Å; N185-Y189 PolarHBondContact O-N 3.4Å; N185-W308 PolarHBondContact OD1-NE1 3.34Å
186	I	97.7	Very high	97.7	Very high	104 Å²	104	28.5 Å²	28.5	53%	0.533	15%	0.147	S	C	.	.	H	α-helix	trans	-55.5	-46.6	177.9	-69	164.9	0	0	0	110.5	I92 W182 C183 Y189 A190	I92-I186 HydrophobicContact CD1-CD1 4.03Å; W182-I186 VanDerWaalsContact O-CG1 3.31Å; W182-I186 WeakPolarHBondContact O-CG1 3.33Å; W182-I186 PolarHBondContact O-N 2.87Å; C183-I186 PolarHBondContact O-N 3.44Å; I186-Y189 PolarHBondContact O-N 3.16Å; I186-A190 WeakPolarHBondContact O-CB 3.12Å; I186-A190 PolarHBondContact O-N 3.06Å
187	L	97.7	Very high	97.6	Very high	36 Å²	36	31 Å²	31	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-44.8	177.9	-179.4	62.7	0	0	0	112.2	Y100 V104 C183 A184 N185 Y189 A190 V191 F239	Y100-L187 HydrophobicContact CE1-CB 3.9Å; Y100-L187 HydrophobicContact CE1-CD2 3.6Å; Y100-L187 HydrophobicContact CE1-CG 4.4Å; V104-L187 HydrophobicContact CG1-CD2 4.39Å; V104-L187 HydrophobicContact CG2-CD2 3.77Å; C183-L187 PolarHBondContact O-N 2.88Å; A184-L187 PolarHBondContact O-N 3.5Å; N185-L187 VanDerWaalsContact C-N 3.29Å; N185-L187 PolarHBondContact O-N 3.42Å; L187-Y189 PolarHBondContact O-N 3.46Å; L187-A190 PolarHBondContact O-N 2.71Å; L187-V191 WeakPolarHBondContact O-CB 3.09Å; L187-V191 WeakPolarHBondContact O-CG1 3.45Å; L187-V191 PolarHBondContact O-N 3.04Å; L187-F239 HydrophobicContact CD1-CE1 4.37Å; L187-F239 HydrophobicContact CD1-CZ 4.46Å; L187-F239 HydrophobicContact CD2-CE1 3.98Å; L187-F239 HydrophobicContact CG-CE1 4.09Å
188	G	97.4	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-43.7	178.1	0	0	0	0	0	112.7	A184 N185 V191 S192	A184-G188 PolarHBondContact O-N 3.39Å; N185-G188 PolarHBondContact O-N 2.87Å; N185-G188 VanDerWaalsContact O-N 3.16Å; G188-V191 WeakPolarHBondContact O-CG1 3.5Å; G188-S192 WeakPolarHBondContact O-CB 3.35Å; G188-S192 PolarHBondContact O-N 3.46Å; G188-S192 PolarHBondContact O-OG 3.43Å
189	Y	97.4	Very high	97.4	Very high	79 Å²	79	30.8 Å²	30.8	31%	0.31	16%	0.162	S	C	.	.	H	α-helix	trans	-70.8	-40.2	174.3	-80.3	-86.3	0	0	0	112.4	L47 P51 N185 I186 L187 T193 Y219 W304 W308	L47-Y189 PolarHBondContact O-OH 2.84Å; P51-Y189 HydrophobicContact CG-CE2 4.35Å; P51-Y189 VanDerWaalsContact CG-OH 3.26Å; P51-Y189 WeakPolarHBondContact CG-OH 3.27Å; N185-Y189 VanDerWaalsContact O-CD2 3.3Å; N185-Y189 WeakPolarHBondContact O-CD2 3.34Å; N185-Y189 PolarHBondContact O-N 3.4Å; I186-Y189 PolarHBondContact O-N 3.16Å; L187-Y189 PolarHBondContact O-N 3.46Å; Y189-T193 WeakPolarHBondContact O-CB 3.18Å; Y189-T193 PolarHBondContact O-N 3Å; Y189-T193 PolarHBondContact O-OG1 3.45Å; Y189-Y219 WeakPolarHBondContact CD1-OH 3.27Å; Y189-Y219 PolarHBondContact O-OH 3.45Å; Y189-W304 AromaticContact CD1-CD1 3.89Å; Y189-W304 AromaticContact CD1-NE1 3.62Å; Y189-W304 AromaticContact CE1-CD1 3.88Å; Y189-W304 AromaticContact CE1-NE1 3.27Å; Y189-W304 VanDerWaalsContact CE1-NE1 3.27Å; Y189-W304 AromaticContact CE2-NE1 3.73Å; Y189-W304 AromaticContact CG-NE1 3.98Å; Y189-W304 AromaticContact CZ-CE2 3.98Å; Y189-W304 AromaticContact CZ-NE1 3.32Å; Y189-W304 VanDerWaalsContact CZ-NE1 3.32Å; Y189-W308 AromaticContact CE2-CD1 3.96Å
190	A	97.8	Very high	97.2	Very high	52 Å²	52	35.5 Å²	35.5	43%	0.43	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-45.4	-179.4	0	0	0	0	0	112	I186 L187 S192 T193 F194	I186-A190 WeakPolarHBondContact O-CB 3.12Å; I186-A190 PolarHBondContact O-N 3.06Å; L187-A190 PolarHBondContact O-N 2.71Å; A190-S192 PolarHBondContact O-N 3.49Å; A190-T193 PolarHBondContact O-N 3.31Å; A190-F194 VanDerWaalsContact O-CB 3.32Å; A190-F194 WeakPolarHBondContact O-CB 3.27Å; A190-F194 PolarHBondContact O-N 2.88Å
191	V	97.2	Very high	97.1	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-38.9	-179.3	73.4	0	0	0	0	111.8	L187 G188 F194 A195 F235 F239 F302	L187-V191 WeakPolarHBondContact O-CB 3.09Å; L187-V191 WeakPolarHBondContact O-CG1 3.45Å; L187-V191 PolarHBondContact O-N 3.04Å; G188-V191 WeakPolarHBondContact O-CG1 3.5Å; V191-F194 PolarHBondContact O-N 2.95Å; V191-A195 WeakPolarHBondContact O-CB 3.16Å; V191-A195 PolarHBondContact O-N 2.84Å; V191-F235 HydrophobicContact CG2-CD1 3.46Å; V191-F235 VanDerWaalsContact CG2-CD1 3.46Å; V191-F235 HydrophobicContact CG2-CE1 3.55Å; V191-F239 HydrophobicContact CB-CE1 4.29Å; V191-F239 HydrophobicContact CB-CE2 4.2Å; V191-F239 HydrophobicContact CB-CZ 3.8Å; V191-F239 HydrophobicContact CG1-CE1 4.24Å; V191-F239 HydrophobicContact CG1-CZ 4.21Å; V191-F239 HydrophobicContact CG2-CD2 3.97Å; V191-F239 HydrophobicContact CG2-CE1 4.15Å; V191-F239 HydrophobicContact CG2-CE2 3.22Å; V191-F239 HydrophobicContact CG2-CZ 3.31Å; V191-F302 HydrophobicContact CG1-CZ 4.48Å; V191-F302 HydrophobicContact CG2-CE1 3.97Å; V191-F302 HydrophobicContact CG2-CZ 4.22Å
192	S	97.3	Very high	97	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-73	-36.8	179.8	-58.3	0	0	0	0	112	G188 A190 A195 M196 G303 W304	G188-S192 WeakPolarHBondContact O-CB 3.35Å; G188-S192 PolarHBondContact O-N 3.46Å; G188-S192 PolarHBondContact O-OG 3.43Å; A190-S192 PolarHBondContact O-N 3.49Å; S192-A195 PolarHBondContact O-N 2.81Å; S192-M196 WeakPolarHBondContact O-CB 3.48Å; S192-M196 PolarHBondContact O-N 3.1Å; S192-G303 PolarHBondContact OG-O 3.15Å; S192-W304 WeakPolarHBondContact OG-CA 3.17Å; S192-W304 PolarHBondContact OG-N 2.87Å
193	T	97.6	Very high	96.8	Very high	62 Å²	62	48.5 Å²	48.5	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-46.4	169.7	-57.4	0	0	0	0	110.9	Y189 A190 A195 M196 V197 Y219	Y189-T193 WeakPolarHBondContact O-CB 3.18Å; Y189-T193 PolarHBondContact O-N 3Å; Y189-T193 PolarHBondContact O-OG1 3.45Å; A190-T193 PolarHBondContact O-N 3.31Å; T193-A195 PolarHBondContact O-N 3.01Å; T193-M196 PolarHBondContact O-N 3.44Å; T193-V197 HydrophobicContact CG2-CG2 4.41Å; T193-V197 WeakPolarHBondContact O-CG2 3.07Å; T193-V197 PolarHBondContact O-N 2.94Å; T193-Y219 PolarHBondContact OG1-OH 3.49Å
194	F	97.4	Very high	96.5	Very high	92 Å²	92	51.3 Å²	51.3	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-57.6	-47.7	175.1	173.5	-92.6	0	0	0	111.7	A190 V191 M196 V197 K198 I229 F235	A190-F194 VanDerWaalsContact O-CB 3.32Å; A190-F194 WeakPolarHBondContact O-CB 3.27Å; A190-F194 PolarHBondContact O-N 2.88Å; V191-F194 PolarHBondContact O-N 2.95Å; F194-M196 VanDerWaalsContact C-N 3.33Å; F194-M196 PolarHBondContact O-N 3.32Å; F194-V197 PolarHBondContact O-N 3.28Å; F194-K198 HydrophobicContact CE1-CB 4.42Å; F194-K198 HydrophobicContact CE1-CD 3.99Å; F194-K198 HydrophobicContact CZ-CD 4.3Å; F194-K198 WeakPolarHBondContact O-CB 3.39Å; F194-K198 PolarHBondContact O-N 3.28Å; F194-I229 HydrophobicContact CE1-CD1 4.39Å; F194-I229 HydrophobicContact CZ-CD1 4.21Å; F194-I229 HydrophobicContact CZ-CG1 4.41Å; F194-F235 AromaticContact CD1-CE1 3.75Å; F194-F235 HydrophobicContact CD1-CE1 3.75Å; F194-F235 AromaticContact CD1-CZ 3.65Å; F194-F235 HydrophobicContact CD1-CZ 3.65Å; F194-F235 AromaticContact CE1-CE1 3.89Å; F194-F235 HydrophobicContact CE1-CE1 3.89Å; F194-F235 AromaticContact CE1-CE2 3.94Å; F194-F235 HydrophobicContact CE1-CE2 3.94Å; F194-F235 AromaticContact CE1-CZ 3.27Å; F194-F235 HydrophobicContact CE1-CZ 3.27Å; F194-F235 HydrophobicContact CZ-CZ 4.27Å
195	A	96.9	Very high	96.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-38.8	178.9	0	0	0	0	0	112.3	V191 S192 T193 G199 P227 F302	V191-A195 WeakPolarHBondContact O-CB 3.16Å; V191-A195 PolarHBondContact O-N 2.84Å; S192-A195 PolarHBondContact O-N 2.81Å; T193-A195 PolarHBondContact O-N 3.01Å; A195-G199 PolarHBondContact O-N 3.05Å; A195-P227 HydrophobicContact CB-CG 4.29Å; A195-F302 HydrophobicContact CB-CD1 3.74Å; A195-F302 HydrophobicContact CB-CE1 4.15Å
196	M	96.3	Very high	95.8	Very high	20 Å²	20	55.1 Å²	55.1	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-50.5	175.2	-172.8	176.9	71.6	0	0	111.6	S192 T193 F194 K198 G199 Y200 F215 Y219 I223	S192-M196 WeakPolarHBondContact O-CB 3.48Å; S192-M196 PolarHBondContact O-N 3.1Å; T193-M196 PolarHBondContact O-N 3.44Å; F194-M196 VanDerWaalsContact C-N 3.33Å; F194-M196 PolarHBondContact O-N 3.32Å; M196-K198 VanDerWaalsContact C-N 3.33Å; M196-K198 PolarHBondContact O-N 3.11Å; M196-G199 PolarHBondContact O-N 2.92Å; M196-G199 VanDerWaalsContact O-N 3.15Å; M196-Y200 HydrophobicContact CG-CD2 4.04Å; M196-Y200 HydrophobicContact CG-CE2 3.82Å; M196-Y200 VanDerWaalsContact O-CD2 3.26Å; M196-Y200 WeakPolarHBondContact O-CD2 3.47Å; M196-Y200 PolarHBondContact O-N 3.34Å; M196-Y200 VanDerWaalsContact O-N 3.12Å; M196-Y200 HydrophobicContact SD-CE2 4.4Å; M196-F215 HydrophobicContact CE-CD2 4.3Å; M196-F215 HydrophobicContact CE-CE2 3.35Å; M196-F215 HydrophobicContact CE-CZ 3.67Å; M196-F215 HydrophobicContact SD-CD2 4.34Å; M196-F215 HydrophobicContact SD-CE2 3.9Å; M196-F215 HydrophobicContact SD-CZ 4.35Å; M196-Y219 HydrophobicContact CB-CD2 4.42Å; M196-Y219 HydrophobicContact CE-CD2 3.9Å; M196-Y219 HydrophobicContact SD-CD2 3.69Å; M196-Y219 HydrophobicContact SD-CG 4.31Å; M196-I223 HydrophobicContact CG-CD1 3.89Å
197	V	96.9	Very high	95.5	Very high	65 Å²	65	59.3 Å²	59.3	39%	0.394	30%	0.3	S	S	.	.	H	α-helix	trans	-58.2	-46.7	177.5	171	0	0	0	0	110.4	T193 F194 G199 Y200 F201	T193-V197 HydrophobicContact CG2-CG2 4.41Å; T193-V197 WeakPolarHBondContact O-CG2 3.07Å; T193-V197 PolarHBondContact O-N 2.94Å; F194-V197 PolarHBondContact O-N 3.28Å; V197-G199 VanDerWaalsContact C-N 3.34Å; V197-G199 PolarHBondContact O-N 3.46Å; V197-Y200 PolarHBondContact O-N 2.85Å; V197-Y200 VanDerWaalsContact O-N 3.16Å; V197-F201 HydrophobicContact CG1-CD2 3.76Å; V197-F201 HydrophobicContact CG1-CE2 4.1Å; V197-F201 WeakPolarHBondContact O-CD2 3.35Å; V197-F201 PolarHBondContact O-N 3.5Å
198	K	96.5	Very high	95.1	Very high	18 Å²	18	58.2 Å²	58.2	8%	0.078	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-44.2	175.6	-175	-169.1	173	-54.1	0	111.5	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 4.3Å; F194-K198 WeakPolarHBondContact O-CB 3.39Å; F194-K198 PolarHBondContact O-N 3.28Å; M196-K198 VanDerWaalsContact C-N 3.33Å; M196-K198 PolarHBondContact O-N 3.11Å; K198-Y200 PolarHBondContact O-N 3.48Å; K198-F201 PolarHBondContact O-N 3.41Å; K198-F202 HydrophobicContact CG-CB 4.44Å; K198-F202 WeakPolarHBondContact CG-O 3.26Å; K198-F202 PolarHBondContact NZ-O 2.94Å; K198-F202 CarbonylContact O-C 3.6Å; K198-F202 WeakPolarHBondContact O-CA 3.42Å; K198-F202 PolarHBondContact O-N 3.48Å; K198-P203 VanDerWaalsContact O-N 3.11Å; K198-T204 VanDerWaalsContact NZ-N 3.15Å; K198-T204 PolarHBondContact NZ-OG1 2.83Å; K198-E224 WeakPolarHBondContact CD-OE2 3.21Å; K198-E224 IonicContact NZ-OE1 3.52Å; K198-E224 PolarHBondContact NZ-OE1 3.04Å; K198-E224 IonicContact NZ-OE2 2.74Å; K198-E224 PolarHBondContact NZ-OE2 3.08Å; K198-P227 HydrophobicContact CD-CB 4.21Å; K198-R228 WeakPolarHBondContact CE-O 3.21Å
199	G	95.2	Very high	94.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-31.8	177.2	0	0	0	0	0	113.8	A195 M196 V197	A195-G199 PolarHBondContact O-N 3.05Å; M196-G199 PolarHBondContact O-N 2.92Å; M196-G199 VanDerWaalsContact O-N 3.15Å; V197-G199 VanDerWaalsContact C-N 3.34Å; V197-G199 PolarHBondContact O-N 3.46Å
200	Y	94.3	Very high	94.6	Very high	108 Å²	108	55.3 Å²	55.3	42%	0.424	28%	0.284	S	S	.	.	H	α-helix	trans	-78.7	-43.1	176.1	-83.2	-74.1	0	0	0	113.7	M196 V197 K198 F211 I223	M196-Y200 HydrophobicContact CG-CD2 4.04Å; M196-Y200 HydrophobicContact CG-CE2 3.82Å; M196-Y200 VanDerWaalsContact O-CD2 3.26Å; M196-Y200 WeakPolarHBondContact O-CD2 3.47Å; M196-Y200 PolarHBondContact O-N 3.34Å; M196-Y200 VanDerWaalsContact O-N 3.12Å; M196-Y200 HydrophobicContact SD-CE2 4.4Å; V197-Y200 PolarHBondContact O-N 2.85Å; V197-Y200 VanDerWaalsContact O-N 3.16Å; K198-Y200 PolarHBondContact O-N 3.48Å; Y200-F211 HydrophobicContact CD1-CD1 4.34Å; Y200-F211 AromaticContact CD1-CE1 3.64Å; Y200-F211 HydrophobicContact CD1-CE1 3.64Å; Y200-F211 AromaticContact CE1-CD1 3.74Å; Y200-F211 HydrophobicContact CE1-CD1 3.74Å; Y200-F211 AromaticContact CE1-CE1 3.51Å; Y200-F211 HydrophobicContact CE1-CE1 3.51Å; Y200-F211 HydrophobicContact CG-CE1 4.27Å; Y200-I223 HydrophobicContact CD2-CD1 3.66Å; Y200-I223 HydrophobicContact CE1-CD1 4.28Å; Y200-I223 HydrophobicContact CE2-CD1 3.08Å; Y200-I223 HydrophobicContact CG-CD1 4.44Å; Y200-I223 VanDerWaalsContact CZ-CD1 3.44Å
201	F	95.5	Very high	94.3	Very high	143 Å²	143	57.2 Å²	57.2	63%	0.627	28%	0.283	S	S	*	.	H	α-helix	trans	-106.9	-32.8	-168.3	-60.3	-69.7	0	0	0	114.3	V197 K198	V197-F201 HydrophobicContact CG1-CD2 3.76Å; V197-F201 HydrophobicContact CG1-CE2 4.1Å; V197-F201 WeakPolarHBondContact O-CD2 3.35Å; V197-F201 PolarHBondContact O-N 3.5Å; K198-F201 PolarHBondContact O-N 3.41Å
202	F	95.5	Very high	94	Very high	159 Å²	159	58.2 Å²	58.2	70%	0.697	29%	0.289	S	S	*	.	S	Bend	trans	-140.3	53.4	-172.2	-50.4	-73.8	0	0	0	112	K198 T204	K198-F202 HydrophobicContact CG-CB 4.44Å; K198-F202 WeakPolarHBondContact CG-O 3.26Å; K198-F202 PolarHBondContact NZ-O 2.94Å; K198-F202 CarbonylContact O-C 3.6Å; K198-F202 WeakPolarHBondContact O-CA 3.42Å; K198-F202 PolarHBondContact O-N 3.48Å; F202-T204 PolarHBondContact O-N 2.91Å
203	P	94.3	Very high	93.6	Very high	41 Å²	41	62 Å²	62	27%	0.266	33%	0.328	S	S	.	.			trans	-64.5	139.3	-178.7	28.6	-35.5	0	0	0	110.4	K198 S205 A206 C209	K198-P203 VanDerWaalsContact O-N 3.11Å; P203-S205 PolarHBondContact O-N 3.43Å; P203-A206 HydrophobicContact CG-CB 4.15Å; P203-C209 WeakPolarHBondContact CB-SG 3.36Å
204	T	92.6	Very high	93.4	Very high	70 Å²	70	60.9 Å²	60.9	43%	0.429	32%	0.32	S	S	.	.	S	Bend	trans	-63.3	-34.5	173.9	-64.1	0	0	0	0	110.3	K198 F202 E224 R228	K198-T204 VanDerWaalsContact NZ-N 3.15Å; K198-T204 PolarHBondContact NZ-OG1 2.83Å; F202-T204 PolarHBondContact O-N 2.91Å; T204-E224 WeakPolarHBondContact CA-OE1 3.2Å; T204-E224 WeakPolarHBondContact CB-OE1 3.12Å; T204-E224 PolarHBondContact N-OE1 3.39Å; T204-E224 PolarHBondContact OG1-OE1 2.96Å; T204-R228 HydrophobicContact CG2-CB 4.19Å; T204-R228 PolarHBondContact OG1-N 3.49Å; T204-R228 PolarHBondContact OG1-O 3.39Å
205	S	90.3	Very high	93.2	Very high	23 Å²	23	61.9 Å²	61.9	16%	0.161	32%	0.324	C	S	.	.			trans	-145.7	109.3	171.9	173	0	0	0	0	109.2	P203 R207 D208 C209	P203-S205 PolarHBondContact O-N 3.43Å; S205-R207 PolarHBondContact O-N 2.85Å; S205-D208 VanDerWaalsContact CB-OD2 3.29Å; S205-D208 WeakPolarHBondContact CB-OD2 3.32Å; S205-D208 PolarHBondContact O-N 3.28Å; S205-D208 VanDerWaalsContact O-N 3.08Å; S205-D208 PolarHBondContact OG-OD2 3.43Å; S205-C209 PolarHBondContact O-SG 3.38Å; S205-C209 VanDerWaalsContact O-SG 3.39Å
206	A	90.5	Very high	93.1	Very high	74 Å²	74	66.7 Å²	66.7	61%	0.612	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-60.3	-31.2	178.5	0	0	0	0	0	112.4	P203 D208 C209	P203-A206 HydrophobicContact CG-CB 4.15Å; A206-D208 VanDerWaalsContact C-N 3.27Å; A206-D208 PolarHBondContact O-N 3.01Å; A206-C209 WeakPolarHBondContact O-CB 3.35Å; A206-C209 PolarHBondContact O-N 3.42Å
207	R	90.4	Very high	93	Very high	192 Å²	192	66.5 Å²	66.5	73%	0.725	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-71.7	-19	177.8	-68	-171.9	-65	176.6	3	113.8	A137 S205	A137-R207 HydrophobicContact CB-CB 3.57Å; A137-R207 PolarHBondContact O-NH2 3.37Å; S205-R207 PolarHBondContact O-N 2.85Å
208	D	90.6	Very high	93	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.07	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-95.4	1	175.5	-70.1	-44.3	0	0	0	112.5	T135 P136 A137 S205 A206 F225 H301	T135-D208 WeakPolarHBondContact CB-OD1 3.17Å; T135-D208 WeakPolarHBondContact CB-OD2 3.48Å; T135-D208 PolarHBondContact OG1-OD1 3.29Å; T135-D208 PolarHBondContact OG1-OD2 3.15Å; P136-D208 VanDerWaalsContact CD-OD1 3.23Å; P136-D208 WeakPolarHBondContact CD-OD1 3.26Å; A137-D208 VanDerWaalsContact CB-CG 3.41Å; A137-D208 WeakPolarHBondContact CB-OD1 3.26Å; A137-D208 VanDerWaalsContact CB-OD2 3.28Å; A137-D208 WeakPolarHBondContact CB-OD2 3.4Å; A137-D208 PolarHBondContact N-OD1 3.12Å; S205-D208 VanDerWaalsContact CB-OD2 3.29Å; S205-D208 WeakPolarHBondContact CB-OD2 3.32Å; S205-D208 PolarHBondContact O-N 3.28Å; S205-D208 VanDerWaalsContact O-N 3.08Å; S205-D208 PolarHBondContact OG-OD2 3.43Å; A206-D208 VanDerWaalsContact C-N 3.27Å; A206-D208 PolarHBondContact O-N 3.01Å; D208-F225 HydrophobicContact CB-CB 3.78Å; D208-F225 WeakPolarHBondContact O-CB 3.36Å; D208-H301 PolarHBondContact O-NE2 3.27Å
209	C	92.4	Very high	93	Very high	10 Å²	10	63.6 Å²	63.6	7%	0.068	33%	0.325	C	S	.	.			trans	-83.8	143.1	177	-66.5	0	0	0	0	111.6	P203 S205 A206 F211 I223	P203-C209 WeakPolarHBondContact CB-SG 3.36Å; S205-C209 PolarHBondContact O-SG 3.38Å; S205-C209 VanDerWaalsContact O-SG 3.39Å; A206-C209 WeakPolarHBondContact O-CB 3.35Å; A206-C209 PolarHBondContact O-N 3.42Å; C209-F211 HydrophobicContact CB-CD2 4.41Å; C209-F211 HydrophobicContact CB-CE2 3.6Å; C209-F211 HydrophobicContact CB-CZ 4.05Å; C209-I223 CarbonylContact C-O 3.24Å; C209-I223 VanDerWaalsContact CA-O 3.22Å; C209-I223 WeakPolarHBondContact CA-O 3.38Å; C209-I223 HydrophobicContact CB-CG2 4.04Å
210	K	91	Very high	93	Very high	8 Å²	8	63.8 Å²	63.8	4%	0.035	33%	0.326	C	S	.	.			trans	-125	123.4	175.3	-72.2	-165.6	175.3	-153.9	0	111.2	W29 R31 W33 I223	W29-K210 WeakPolarHBondContact O-CE 3.27Å; W29-K210 PolarHBondContact O-NZ 2.86Å; R31-K210 HydrophobicContact CG-CD 3.81Å; R31-K210 PolarHBondContact O-NZ 3.35Å; W33-K210 HydrophobicContact CD2-CD 4.18Å; W33-K210 VanDerWaalsContact CE2-CE 3.42Å; W33-K210 VanDerWaalsContact CE2-NZ 3.28Å; W33-K210 HydrophobicContact CE3-CD 4.48Å; W33-K210 HydrophobicContact CE3-CG 4.37Å; W33-K210 HydrophobicContact CH2-CD 4.3Å; W33-K210 HydrophobicContact CH2-CG 3.77Å; W33-K210 HydrophobicContact CZ2-CD 4Å; W33-K210 VanDerWaalsContact CZ2-CE 3.45Å; W33-K210 HydrophobicContact CZ2-CG 3.93Å; W33-K210 HydrophobicContact CZ3-CB 4.4Å; W33-K210 HydrophobicContact CZ3-CG 4Å; K210-I223 PolarHBondContact N-O 2.92Å
211	F	92.1	Very high	93	Very high	93 Å²	93	60.4 Å²	60.4	41%	0.408	32%	0.315	S	S	.	.			trans	-117.8	122.3	178.1	-58	-89.6	0	0	0	109.2	Y200 C209 I223	Y200-F211 HydrophobicContact CD1-CD1 4.34Å; Y200-F211 AromaticContact CD1-CE1 3.64Å; Y200-F211 HydrophobicContact CD1-CE1 3.64Å; Y200-F211 AromaticContact CE1-CD1 3.74Å; Y200-F211 HydrophobicContact CE1-CD1 3.74Å; Y200-F211 AromaticContact CE1-CE1 3.51Å; Y200-F211 HydrophobicContact CE1-CE1 3.51Å; Y200-F211 HydrophobicContact CG-CE1 4.27Å; C209-F211 HydrophobicContact CB-CD2 4.41Å; C209-F211 HydrophobicContact CB-CE2 3.6Å; C209-F211 HydrophobicContact CB-CZ 4.05Å; F211-I223 HydrophobicContact CD1-CD1 4.03Å; F211-I223 HydrophobicContact CD1-CG1 4.42Å; F211-I223 HydrophobicContact CD1-CG2 3.81Å; F211-I223 HydrophobicContact CD2-CG2 4.48Å; F211-I223 HydrophobicContact CE1-CD1 3.91Å; F211-I223 HydrophobicContact CE1-CG1 4.47Å; F211-I223 HydrophobicContact CE1-CG2 3.34Å; F211-I223 HydrophobicContact CE2-CG2 4.07Å; F211-I223 HydrophobicContact CG-CG2 4.37Å; F211-I223 HydrophobicContact CZ-CG2 3.48Å; F211-I223 VanDerWaalsContact CZ-CG2 3.48Å
212	T	90.6	Very high	93	Very high	28 Å²	28	53.7 Å²	53.7	17%	0.172	29%	0.286	C	S	.	.			trans	-103	3.9	179.5	64	0	0	0	0	113.8	R31 W33 V35 N214 Y217 N218	R31-T212 PolarHBondContact NH2-OG1 3.41Å; W33-T212 WeakPolarHBondContact O-CG2 3.45Å; V35-T212 HydrophobicContact CG2-CG2 4.08Å; T212-N214 PolarHBondContact O-N 3.37Å; T212-N214 VanDerWaalsContact O-N 3.12Å; T212-Y217 HydrophobicContact CG2-CD1 4.01Å; T212-Y217 HydrophobicContact CG2-CE1 4.06Å; T212-N218 PolarHBondContact N-OD1 3.03Å; T212-N218 PolarHBondContact OG1-OD1 3.5Å
213	G	88.6	Confident	92.9	Very high	80 Å²	80	46.2 Å²	46.2	83%	0.825	25%	0.253	S	S	*	.	S	Bend	trans	73.5	-12	-172.9	0	0	0	0	0	115.3
214	N	92.8	Very high	92.9	Very high	39 Å²	39	44.4 Å²	44.4	21%	0.209	24%	0.241	C	C	.	.			trans	-100.9	119.7	177.9	-173.7	-74.3	0	0	0	111.7	V35 L40 T212 F216 Y217 N218	V35-N214 HydrophobicContact CG2-CB 4.43Å; L40-N214 WeakPolarHBondContact CD1-ND2 3.43Å; L40-N214 VanDerWaalsContact CD1-OD1 3.28Å; L40-N214 WeakPolarHBondContact CD1-OD1 3.34Å; L40-N214 WeakPolarHBondContact CD2-ND2 3.33Å; T212-N214 PolarHBondContact O-N 3.37Å; T212-N214 VanDerWaalsContact O-N 3.12Å; N214-F216 PolarHBondContact OD1-N 3.11Å; N214-F216 VanDerWaalsContact OD1-N 3.11Å; N214-Y217 PolarHBondContact OD1-N 2.91Å; N214-N218 VanDerWaalsContact O-CB 3.27Å; N214-N218 WeakPolarHBondContact O-CB 3.35Å; N214-N218 PolarHBondContact O-N 2.9Å; N214-N218 PolarHBondContact O-ND2 3.48Å
215	F	94.4	Very high	93	Very high	113 Å²	113	41.3 Å²	41.3	50%	0.496	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-51.9	-178.2	178	-93	0	0	0	113.1	M196 Y217 N218 Y219	M196-F215 HydrophobicContact CE-CD2 4.3Å; M196-F215 HydrophobicContact CE-CE2 3.35Å; M196-F215 HydrophobicContact CE-CZ 3.67Å; M196-F215 HydrophobicContact SD-CD2 4.34Å; M196-F215 HydrophobicContact SD-CE2 3.9Å; M196-F215 HydrophobicContact SD-CZ 4.35Å; F215-Y217 PolarHBondContact O-N 3.21Å; F215-N218 PolarHBondContact O-N 2.86Å; F215-Y219 WeakPolarHBondContact O-CB 3.37Å; F215-Y219 PolarHBondContact O-N 2.8Å
216	F	95	Very high	93.2	Very high	102 Å²	102	40.8 Å²	40.8	45%	0.447	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-42.2	-175.4	-64.6	-70	0	0	0	112	L40 V43 I44 L47 N214 Y219 M220	L40-F216 HydrophobicContact CD1-CB 4.26Å; V43-F216 HydrophobicContact CG1-CB 4.37Å; I44-F216 HydrophobicContact CD1-CD2 4.31Å; I44-F216 HydrophobicContact CG1-CB 4.22Å; I44-F216 HydrophobicContact CG1-CD2 4.37Å; I44-F216 HydrophobicContact CG1-CG 4.21Å; L47-F216 HydrophobicContact CD1-CB 4.28Å; L47-F216 HydrophobicContact CD1-CD1 4.23Å; N214-F216 PolarHBondContact OD1-N 3.11Å; N214-F216 VanDerWaalsContact OD1-N 3.11Å; F216-Y219 PolarHBondContact O-N 2.79Å; F216-M220 WeakPolarHBondContact O-CB 3.42Å; F216-M220 PolarHBondContact O-N 2.89Å
217	Y	94.3	Very high	93.4	Very high	16 Å²	16	37.2 Å²	37.2	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-40.9	176.7	-170.4	-89.7	0	0	0	111.9	R31 V35 V43 T212 N214 F215 M221	R31-Y217 VanDerWaalsContact CZ-CE1 3.47Å; R31-Y217 PolarHBondContact NH1-O 3.38Å; V35-Y217 HydrophobicContact CB-CD2 4.41Å; V35-Y217 HydrophobicContact CB-CG 4.33Å; V35-Y217 HydrophobicContact CG1-CD2 3.65Å; V35-Y217 HydrophobicContact CG1-CE2 4.24Å; V35-Y217 HydrophobicContact CG1-CG 3.89Å; V35-Y217 HydrophobicContact CG2-CD1 3.36Å; V35-Y217 HydrophobicContact CG2-CD2 3.88Å; V35-Y217 HydrophobicContact CG2-CE1 3.82Å; V35-Y217 HydrophobicContact CG2-CE2 4.28Å; V35-Y217 HydrophobicContact CG2-CG 3.42Å; V35-Y217 VanDerWaalsContact CG2-CG 3.42Å; V43-Y217 HydrophobicContact CG2-CD2 3.8Å; V43-Y217 HydrophobicContact CG2-CE2 4.28Å; T212-Y217 HydrophobicContact CG2-CD1 4.01Å; T212-Y217 HydrophobicContact CG2-CE1 4.06Å; N214-Y217 PolarHBondContact OD1-N 2.91Å; F215-Y217 PolarHBondContact O-N 3.21Å; Y217-M221 HydrophobicContact CD2-CG 4.39Å; Y217-M221 HydrophobicContact CE1-CB 4.32Å; Y217-M221 HydrophobicContact CE1-CG 4.17Å; Y217-M221 HydrophobicContact CE2-CG 4.01Å; Y217-M221 WeakPolarHBondContact O-CB 3.42Å; Y217-M221 PolarHBondContact O-N 3.48Å
218	N	95.2	Very high	93.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-43.3	172.9	-76.9	-13.9	0	0	0	112.6	R31 T212 N214 F215 G222 I223	R31-N218 PolarHBondContact NH2-OD1 3.19Å; T212-N218 PolarHBondContact N-OD1 3.03Å; T212-N218 PolarHBondContact OG1-OD1 3.5Å; N214-N218 VanDerWaalsContact O-CB 3.27Å; N214-N218 WeakPolarHBondContact O-CB 3.35Å; N214-N218 PolarHBondContact O-N 2.9Å; N214-N218 PolarHBondContact O-ND2 3.48Å; F215-N218 PolarHBondContact O-N 2.86Å; N218-G222 CarbonylContact O-C 3.55Å; N218-G222 WeakPolarHBondContact O-CA 3.46Å; N218-G222 PolarHBondContact O-N 3.25Å; N218-I223 HydrophobicContact CB-CD1 4.06Å; N218-I223 HydrophobicContact CB-CG1 3.83Å
219	Y	96.8	Very high	93.9	Very high	22 Å²	22	32.7 Å²	32.7	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-47.4	178.5	-175.4	-104.5	0	0	0	111.9	L47 Y189 T193 M196 F215 F216 G303 W304	L47-Y219 HydrophobicContact CD1-CD1 4.48Å; L47-Y219 HydrophobicContact CD2-CD1 3.92Å; L47-Y219 HydrophobicContact CD2-CE1 4.09Å; Y189-Y219 WeakPolarHBondContact CD1-OH 3.27Å; Y189-Y219 PolarHBondContact O-OH 3.45Å; T193-Y219 PolarHBondContact OG1-OH 3.49Å; M196-Y219 HydrophobicContact CB-CD2 4.42Å; M196-Y219 HydrophobicContact CE-CD2 3.9Å; M196-Y219 HydrophobicContact SD-CD2 3.69Å; M196-Y219 HydrophobicContact SD-CG 4.31Å; F215-Y219 WeakPolarHBondContact O-CB 3.37Å; F215-Y219 PolarHBondContact O-N 2.8Å; F216-Y219 PolarHBondContact O-N 2.79Å; Y219-G303 WeakPolarHBondContact O-CA 3.46Å; Y219-W304 HydrophobicContact CD1-CB 3.93Å; Y219-W304 HydrophobicContact CD1-CG 4.4Å; Y219-W304 HydrophobicContact CE1-CB 3.68Å; Y219-W304 AromaticContact CE1-CD1 3.63Å; Y219-W304 AromaticContact CE1-CG 3.79Å; Y219-W304 HydrophobicContact CE1-CG 3.79Å; Y219-W304 PolarHBondContact O-N 2.89Å
220	M	95.4	Very high	94	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-55.7	179	-179.3	72	176.5	0	0	112.3	V43 L46 L47 F216 G303 W304 Y305	V43-M220 HydrophobicContact CB-CB 4.44Å; V43-M220 HydrophobicContact CB-CG 4.33Å; V43-M220 HydrophobicContact CG1-CB 3.41Å; V43-M220 VanDerWaalsContact CG1-CB 3.41Å; V43-M220 HydrophobicContact CG1-CG 3.74Å; V43-M220 HydrophobicContact CG2-CB 4.24Å; V43-M220 HydrophobicContact CG2-CG 3.92Å; L46-M220 HydrophobicContact CB-CE 3.88Å; L46-M220 HydrophobicContact CD1-CE 3.77Å; L46-M220 HydrophobicContact CG-CE 4.49Å; L47-M220 HydrophobicContact CD1-CB 4.35Å; L47-M220 HydrophobicContact CD2-SD 3.88Å; L47-M220 HydrophobicContact CG-SD 4Å; F216-M220 WeakPolarHBondContact O-CB 3.42Å; F216-M220 PolarHBondContact O-N 2.89Å; M220-G303 CarbonylContact O-C 3.57Å; M220-W304 HydrophobicContact CE-CE3 4.02Å; M220-W304 HydrophobicContact CE-CZ3 3.96Å; M220-W304 PolarHBondContact O-N 2.81Å; M220-W304 VanDerWaalsContact O-N 3.11Å; M220-W304 HydrophobicContact SD-CD2 4.31Å; M220-W304 HydrophobicContact SD-CE3 3.29Å; M220-W304 HydrophobicContact SD-CZ3 3.73Å; M220-Y305 HydrophobicContact CE-CD2 3.85Å; M220-Y305 HydrophobicContact CE-CG 4.39Å; M220-Y305 WeakPolarHBondContact O-CB 3.31Å; M220-Y305 PolarHBondContact O-N 3.27Å
221	M	94.2	Very high	94	Very high	38 Å²	38	41.7 Å²	41.7	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-90.4	-11.2	-169.9	-63.8	-58.8	-62.6	0	0	113.2	R31 Y217 H301	R31-M221 HydrophobicContact CB-CE 4.38Å; Y217-M221 HydrophobicContact CD2-CG 4.39Å; Y217-M221 HydrophobicContact CE1-CB 4.32Å; Y217-M221 HydrophobicContact CE1-CG 4.17Å; Y217-M221 HydrophobicContact CE2-CG 4.01Å; Y217-M221 WeakPolarHBondContact O-CB 3.42Å; Y217-M221 PolarHBondContact O-N 3.48Å; M221-H301 CarbonylContact O-C 3.44Å; M221-H301 WeakPolarHBondContact O-CB 3.3Å; M221-H301 VanDerWaalsContact O-O 3.1Å
222	G	95.5	Very high	94	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	23%	0.232	C	C	.	.			trans	84.7	141.3	177.8	0	0	0	0	0	114.2	R31 N218 H301 F302 G303	R31-G222 WeakPolarHBondContact CD-O 3.32Å; R31-G222 PolarHBondContact NH1-O 3.45Å; N218-G222 CarbonylContact O-C 3.55Å; N218-G222 WeakPolarHBondContact O-CA 3.46Å; N218-G222 PolarHBondContact O-N 3.25Å; G222-H301 WeakPolarHBondContact O-CB 3.35Å; G222-F302 WeakPolarHBondContact CA-O 3.45Å; G222-G303 VanDerWaalsContact CA-CA 3.43Å
223	I	94.5	Very high	94.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-90.9	-44.8	177.8	-67.4	173.3	0	0	0	111.1	M196 Y200 C209 K210 F211 N218 H301	M196-I223 HydrophobicContact CG-CD1 3.89Å; Y200-I223 HydrophobicContact CD2-CD1 3.66Å; Y200-I223 HydrophobicContact CE1-CD1 4.28Å; Y200-I223 HydrophobicContact CE2-CD1 3.08Å; Y200-I223 HydrophobicContact CG-CD1 4.44Å; Y200-I223 VanDerWaalsContact CZ-CD1 3.44Å; C209-I223 CarbonylContact C-O 3.24Å; C209-I223 VanDerWaalsContact CA-O 3.22Å; C209-I223 WeakPolarHBondContact CA-O 3.38Å; C209-I223 HydrophobicContact CB-CG2 4.04Å; K210-I223 PolarHBondContact N-O 2.92Å; F211-I223 HydrophobicContact CD1-CD1 4.03Å; F211-I223 HydrophobicContact CD1-CG1 4.42Å; F211-I223 HydrophobicContact CD1-CG2 3.81Å; F211-I223 HydrophobicContact CD2-CG2 4.48Å; F211-I223 HydrophobicContact CE1-CD1 3.91Å; F211-I223 HydrophobicContact CE1-CG1 4.47Å; F211-I223 HydrophobicContact CE1-CG2 3.34Å; F211-I223 HydrophobicContact CE2-CG2 4.07Å; F211-I223 HydrophobicContact CG-CG2 4.37Å; F211-I223 HydrophobicContact CZ-CG2 3.48Å; F211-I223 VanDerWaalsContact CZ-CG2 3.48Å; N218-I223 HydrophobicContact CB-CD1 4.06Å; N218-I223 HydrophobicContact CB-CG1 3.83Å; I223-H301 PolarHBondContact O-CD2 3.14Å
224	E	94.3	Very high	94.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.019	19%	0.19	C	C	.	.	S	Bend	trans	-89.1	134.6	-177.3	-175.4	170.3	-170.5	0	0	110.3	K198 T204 P227 F302	K198-E224 WeakPolarHBondContact CD-OE2 3.21Å; K198-E224 IonicContact NZ-OE1 3.52Å; K198-E224 PolarHBondContact NZ-OE1 3.04Å; K198-E224 IonicContact NZ-OE2 2.74Å; K198-E224 PolarHBondContact NZ-OE2 3.08Å; T204-E224 WeakPolarHBondContact CA-OE1 3.2Å; T204-E224 WeakPolarHBondContact CB-OE1 3.12Å; T204-E224 PolarHBondContact N-OE1 3.39Å; T204-E224 PolarHBondContact OG1-OE1 2.96Å; E224-P227 HydrophobicContact CB-CB 4.49Å; E224-P227 VanDerWaalsContact CD-CA 3.42Å; E224-P227 HydrophobicContact CG-CB 4.2Å; E224-P227 WeakPolarHBondContact OE2-CB 3.46Å; E224-F302 PolarHBondContact O-N 3.45Å; E224-F302 VanDerWaalsContact O-N 3.16Å
225	F	93.7	Very high	94.9	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-67	-58.1	-174.2	-177.2	-131.1	0	0	0	111.8	W29 T135 D208 K236 I297 D300 H301	W29-F225 HydrophobicContact CH2-CD1 4.38Å; W29-F225 HydrophobicContact CH2-CD2 4.48Å; W29-F225 AromaticContact CH2-CE1 3.57Å; W29-F225 HydrophobicContact CH2-CE1 3.57Å; W29-F225 AromaticContact CH2-CE2 3.71Å; W29-F225 HydrophobicContact CH2-CE2 3.71Å; W29-F225 AromaticContact CH2-CZ 3.22Å; W29-F225 HydrophobicContact CH2-CZ 3.22Å; W29-F225 HydrophobicContact CZ2-CZ 4.45Å; W29-F225 HydrophobicContact CZ3-CD1 4.36Å; W29-F225 AromaticContact CZ3-CD2 3.94Å; W29-F225 HydrophobicContact CZ3-CD2 3.94Å; W29-F225 AromaticContact CZ3-CE1 3.93Å; W29-F225 HydrophobicContact CZ3-CE1 3.93Å; W29-F225 AromaticContact CZ3-CE2 3.48Å; W29-F225 HydrophobicContact CZ3-CE2 3.48Å; W29-F225 VanDerWaalsContact CZ3-CE2 3.48Å; W29-F225 HydrophobicContact CZ3-CG 4.41Å; W29-F225 AromaticContact CZ3-CZ 3.51Å; W29-F225 HydrophobicContact CZ3-CZ 3.51Å; T135-F225 HydrophobicContact CG2-CD1 3.93Å; T135-F225 HydrophobicContact CG2-CE1 3.9Å; D208-F225 HydrophobicContact CB-CB 3.78Å; D208-F225 WeakPolarHBondContact O-CB 3.36Å; F225-K236 WeakPolarHBondContact O-CE 3.26Å; F225-K236 PolarHBondContact O-NZ 3.13Å; F225-I297 WeakPolarHBondContact CZ-O 3.28Å; F225-D300 WeakPolarHBondContact CD2-O 3.2Å; F225-D300 WeakPolarHBondContact CE2-O 3.41Å; F225-H301 WeakPolarHBondContact CA-CD2 3.11Å; F225-H301 AromaticContact CD2-CE1 3.8Å; F225-H301 AromaticContact CD2-ND1 3.89Å; F225-H301 PolarHBondContact N-CD2 3.39Å; F225-H301 VanDerWaalsContact N-CD2 3.28Å
226	N	94.3	Very high	95	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.064	16%	0.16	C	C	.	.	S	Bend	trans	-129.5	86.8	175	-64.8	-49.5	0	0	0	108.8	R228 K236 I297	N226-R228 PolarHBondContact O-N 2.72Å; N226-K236 VanDerWaalsContact OD1-CD 3.28Å; N226-K236 WeakPolarHBondContact OD1-CD 3.43Å; N226-K236 VanDerWaalsContact OD1-CE 3.29Å; N226-K236 WeakPolarHBondContact OD1-CE 3.42Å; N226-K236 PolarHBondContact OD1-NZ 3.23Å; N226-I297 PolarHBondContact OD1-O 3.36Å
227	P	96.2	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.			trans	-61	132.1	178.3	13.6	-16.8	0	0	0	110.5	A195 K198 E224 F235 F302	A195-P227 HydrophobicContact CB-CG 4.29Å; K198-P227 HydrophobicContact CD-CB 4.21Å; E224-P227 HydrophobicContact CB-CB 4.49Å; E224-P227 VanDerWaalsContact CD-CA 3.42Å; E224-P227 HydrophobicContact CG-CB 4.2Å; E224-P227 WeakPolarHBondContact OE2-CB 3.46Å; P227-F235 HydrophobicContact CB-CB 4.49Å; P227-F235 HydrophobicContact CB-CD2 4.17Å; P227-F235 HydrophobicContact CB-CG 4.38Å; P227-F235 HydrophobicContact CG-CB 4.01Å; P227-F235 HydrophobicContact CG-CG 4.34Å; P227-F235 WeakPolarHBondContact O-CD2 3.49Å; P227-F235 PolarHBondContact O-N 2.9Å; P227-F235 VanDerWaalsContact O-N 3.15Å; P227-F302 VanDerWaalsContact CD-CB 3.5Å; P227-F302 HydrophobicContact CG-CB 3.6Å; P227-F302 HydrophobicContact CG-CD1 3.63Å; P227-F302 HydrophobicContact CG-CG 3.9Å
228	R	96.1	Very high	95.2	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.049	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.3	178.4	-66.2	-168.6	161.5	-143.2	-6.8	114.2	K142 Y143 K198 T204 N226 K231 F233 D234	K142-R228 PolarHBondContact O-NH1 3.44Å; K142-R228 PolarHBondContact O-NH2 3.29Å; Y143-R228 VanDerWaalsContact CD1-NH2 3.27Å; Y143-R228 PolarHBondContact OH-NH2 3.37Å; K198-R228 WeakPolarHBondContact CE-O 3.21Å; T204-R228 HydrophobicContact CG2-CB 4.19Å; T204-R228 PolarHBondContact OG1-N 3.49Å; T204-R228 PolarHBondContact OG1-O 3.39Å; N226-R228 PolarHBondContact O-N 2.72Å; R228-K231 PolarHBondContact NH1-O 2.87Å; R228-F233 CarbonylContact C-O 3.28Å; R228-F233 WeakPolarHBondContact CA-O 2.97Å; R228-F233 VanDerWaalsContact CB-O 3.28Å; R228-F233 WeakPolarHBondContact CB-O 3.02Å; R228-F233 WeakPolarHBondContact CG-O 3.42Å; R228-D234 HydrophobicContact CG-CB 4.37Å; R228-D234 IonicContact CZ-OD2 3.67Å; R228-D234 IonicContact NE-OD2 3.28Å; R228-D234 PolarHBondContact NE-OD2 2.94Å; R228-D234 IonicContact NH2-OD2 3.27Å; R228-D234 PolarHBondContact NH2-OD2 3.29Å; R228-D234 VanDerWaalsContact NH2-OD2 3.08Å
229	I	94.9	Very high	95.3	Very high	97 Å²	97	26.7 Å²	26.7	50%	0.497	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.3	162.3	-69.3	159.9	0	0	0	108	F194 F233 F235	F194-I229 HydrophobicContact CE1-CD1 4.39Å; F194-I229 HydrophobicContact CZ-CD1 4.21Å; F194-I229 HydrophobicContact CZ-CG1 4.41Å; I229-F233 HydrophobicContact CB-CB 4.11Å; I229-F233 HydrophobicContact CB-CD1 4.43Å; I229-F233 HydrophobicContact CD1-CD1 4.47Å; I229-F233 PolarHBondContact N-O 3Å; I229-F233 WeakPolarHBondContact O-CB 3.48Å; I229-F233 PolarHBondContact O-N 2.77Å; I229-F235 HydrophobicContact CD1-CE2 3.71Å; I229-F235 HydrophobicContact CD1-CZ 3.63Å; I229-F235 HydrophobicContact CG1-CE2 3.85Å; I229-F235 HydrophobicContact CG1-CZ 4.23Å
230	G	93.2	Very high	95.2	Very high	66 Å²	66	26.3 Å²	26.3	68%	0.68	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	-154.4	-171.9	0	0	0	0	0	112.3
231	K	91.3	Very high	95.2	Very high	141 Å²	141	26.1 Å²	26.1	61%	0.613	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-29.4	-176.6	-173	173.2	-179.9	176.1	0	113.3	R228	R228-K231 PolarHBondContact NH1-O 2.87Å
232	W	93.7	Very high	95.2	Very high	106 Å²	106	24.3 Å²	24.3	40%	0.402	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-29.1	-161.8	-63.2	115.3	0	0	0	114.8	I129 K142 D234	I129-W232 HydrophobicContact CD1-CH2 4.03Å; I129-W232 HydrophobicContact CG1-CH2 4.34Å; I129-W232 HydrophobicContact CG2-CH2 4.32Å; I129-W232 HydrophobicContact CG2-CZ3 4.39Å; K142-W232 HydrophobicContact CB-CH2 4.36Å; K142-W232 HydrophobicContact CB-CZ3 3.95Å; W232-D234 PolarHBondContact O-N 3.15Å
233	F	96.5	Very high	95	Very high	26 Å²	26	24.3 Å²	24.3	11%	0.114	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.8	-177.2	-169	-82.7	0	0	0	110.6	V108 Y111 T112 R228 I229 F235 F238	V108-F233 HydrophobicContact CG1-CE2 4.28Å; V108-F233 HydrophobicContact CG2-CE2 4.26Å; Y111-F233 AromaticContact CD1-CD2 3.77Å; Y111-F233 HydrophobicContact CD1-CD2 3.77Å; Y111-F233 AromaticContact CD1-CE2 3.98Å; Y111-F233 HydrophobicContact CD1-CE2 3.98Å; Y111-F233 AromaticContact CE1-CD2 3.98Å; Y111-F233 HydrophobicContact CE1-CD2 3.98Å; Y111-F233 HydrophobicContact CE1-CE2 4.37Å; Y111-F233 HydrophobicContact CE1-CG 4.35Å; T112-F233 HydrophobicContact CG2-CD2 3.76Å; T112-F233 HydrophobicContact CG2-CE2 4.49Å; R228-F233 CarbonylContact C-O 3.28Å; R228-F233 WeakPolarHBondContact CA-O 2.97Å; R228-F233 VanDerWaalsContact CB-O 3.28Å; R228-F233 WeakPolarHBondContact CB-O 3.02Å; R228-F233 WeakPolarHBondContact CG-O 3.42Å; I229-F233 HydrophobicContact CB-CB 4.11Å; I229-F233 HydrophobicContact CB-CD1 4.43Å; I229-F233 HydrophobicContact CD1-CD1 4.47Å; I229-F233 PolarHBondContact N-O 3Å; I229-F233 WeakPolarHBondContact O-CB 3.48Å; I229-F233 PolarHBondContact O-N 2.77Å; F233-F235 AromaticContact CD1-CD2 3.74Å; F233-F235 HydrophobicContact CD1-CD2 3.74Å; F233-F235 AromaticContact CD1-CE2 3.63Å; F233-F235 HydrophobicContact CD1-CE2 3.63Å; F233-F235 HydrophobicContact CD1-CZ 4.32Å; F233-F235 HydrophobicContact CE1-CD1 4.34Å; F233-F235 AromaticContact CE1-CD2 3.67Å; F233-F235 HydrophobicContact CE1-CD2 3.67Å; F233-F235 HydrophobicContact CE1-CE1 4.28Å; F233-F235 AromaticContact CE1-CE2 3.61Å; F233-F235 HydrophobicContact CE1-CE2 3.61Å; F233-F235 HydrophobicContact CE1-CG 4.06Å; F233-F235 AromaticContact CE1-CZ 3.92Å; F233-F235 HydrophobicContact CE1-CZ 3.92Å; F233-F238 HydrophobicContact CE1-CB 4.35Å; F233-F238 HydrophobicContact CE1-CD1 4.35Å; F233-F238 HydrophobicContact CE1-CG 4.4Å; F233-F238 HydrophobicContact CE2-CB 4.33Å; F233-F238 HydrophobicContact CE2-CD1 4.16Å; F233-F238 AromaticContact CE2-CD2 3.99Å; F233-F238 HydrophobicContact CE2-CD2 3.99Å; F233-F238 HydrophobicContact CE2-CE2 4.38Å; F233-F238 AromaticContact CE2-CG 3.87Å; F233-F238 HydrophobicContact CE2-CG 3.87Å; F233-F238 HydrophobicContact CZ-CB 3.94Å; F233-F238 AromaticContact CZ-CD1 3.5Å; F233-F238 HydrophobicContact CZ-CD1 3.5Å; F233-F238 VanDerWaalsContact CZ-CD1 3.5Å; F233-F238 HydrophobicContact CZ-CD2 4.14Å; F233-F238 HydrophobicContact CZ-CE1 4.03Å; F233-F238 AromaticContact CZ-CG 3.56Å; F233-F238 HydrophobicContact CZ-CG 3.56Å
234	D	96.9	Very high	94.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.2	177.2	-168.3	-81.9	0	0	0	111	Y111 Y143 R228 W232 K236 L237 F238	Y111-D234 PolarHBondContact OH-O 2.95Å; Y143-D234 HydrophobicContact CD1-CB 4.25Å; Y143-D234 HydrophobicContact CE1-CB 3.81Å; Y143-D234 PolarHBondContact OH-OD2 3.22Å; R228-D234 HydrophobicContact CG-CB 4.37Å; R228-D234 IonicContact CZ-OD2 3.67Å; R228-D234 IonicContact NE-OD2 3.28Å; R228-D234 PolarHBondContact NE-OD2 2.94Å; R228-D234 IonicContact NH2-OD2 3.27Å; R228-D234 PolarHBondContact NH2-OD2 3.29Å; R228-D234 VanDerWaalsContact NH2-OD2 3.08Å; W232-D234 PolarHBondContact O-N 3.15Å; D234-K236 PolarHBondContact O-N 2.98Å; D234-K236 PolarHBondContact OD1-N 3.21Å; D234-L237 HydrophobicContact CB-CB 4.45Å; D234-L237 PolarHBondContact OD1-N 3.41Å; D234-F238 WeakPolarHBondContact O-CB 3.45Å; D234-F238 PolarHBondContact O-N 2.68Å
235	F	97.1	Very high	94.9	Very high	11 Å²	11	24.8 Å²	24.8	5%	0.048	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-38.3	-172	-82.9	-109.4	0	0	0	112.6	V191 F194 P227 I229 F233 F239 F302	V191-F235 HydrophobicContact CG2-CD1 3.46Å; V191-F235 VanDerWaalsContact CG2-CD1 3.46Å; V191-F235 HydrophobicContact CG2-CE1 3.55Å; F194-F235 AromaticContact CD1-CE1 3.75Å; F194-F235 HydrophobicContact CD1-CE1 3.75Å; F194-F235 AromaticContact CD1-CZ 3.65Å; F194-F235 HydrophobicContact CD1-CZ 3.65Å; F194-F235 AromaticContact CE1-CE1 3.89Å; F194-F235 HydrophobicContact CE1-CE1 3.89Å; F194-F235 AromaticContact CE1-CE2 3.94Å; F194-F235 HydrophobicContact CE1-CE2 3.94Å; F194-F235 AromaticContact CE1-CZ 3.27Å; F194-F235 HydrophobicContact CE1-CZ 3.27Å; F194-F235 HydrophobicContact CZ-CZ 4.27Å; P227-F235 HydrophobicContact CB-CB 4.49Å; P227-F235 HydrophobicContact CB-CD2 4.17Å; P227-F235 HydrophobicContact CB-CG 4.38Å; P227-F235 HydrophobicContact CG-CB 4.01Å; P227-F235 HydrophobicContact CG-CG 4.34Å; P227-F235 WeakPolarHBondContact O-CD2 3.49Å; P227-F235 PolarHBondContact O-N 2.9Å; P227-F235 VanDerWaalsContact O-N 3.15Å; I229-F235 HydrophobicContact CD1-CE2 3.71Å; I229-F235 HydrophobicContact CD1-CZ 3.63Å; I229-F235 HydrophobicContact CG1-CE2 3.85Å; I229-F235 HydrophobicContact CG1-CZ 4.23Å; F233-F235 AromaticContact CD1-CD2 3.74Å; F233-F235 HydrophobicContact CD1-CD2 3.74Å; F233-F235 AromaticContact CD1-CE2 3.63Å; F233-F235 HydrophobicContact CD1-CE2 3.63Å; F233-F235 HydrophobicContact CD1-CZ 4.32Å; F233-F235 HydrophobicContact CE1-CD1 4.34Å; F233-F235 AromaticContact CE1-CD2 3.67Å; F233-F235 HydrophobicContact CE1-CD2 3.67Å; F233-F235 HydrophobicContact CE1-CE1 4.28Å; F233-F235 AromaticContact CE1-CE2 3.61Å; F233-F235 HydrophobicContact CE1-CE2 3.61Å; F233-F235 HydrophobicContact CE1-CG 4.06Å; F233-F235 AromaticContact CE1-CZ 3.92Å; F233-F235 HydrophobicContact CE1-CZ 3.92Å; F235-F239 HydrophobicContact CB-CD2 4.4Å; F235-F239 HydrophobicContact CD1-CD2 4.05Å; F235-F239 AromaticContact CD1-CE2 3.63Å; F235-F239 HydrophobicContact CD1-CE2 3.63Å; F235-F239 HydrophobicContact CE1-CE2 4.07Å; F235-F239 HydrophobicContact CG-CE2 4.49Å; F235-F239 WeakPolarHBondContact O-CB 3.15Å; F235-F239 VanDerWaalsContact O-CD2 3.31Å; F235-F239 WeakPolarHBondContact O-CD2 3.45Å; F235-F239 PolarHBondContact O-N 3.41Å; F235-F302 HydrophobicContact CB-CD1 4.05Å; F235-F302 HydrophobicContact CB-CE1 3.85Å; F235-F302 HydrophobicContact CB-CE2 4.41Å; F235-F302 HydrophobicContact CB-CG 4.42Å; F235-F302 HydrophobicContact CB-CZ 4.02Å; F235-F302 AromaticContact CD1-CE1 3.97Å; F235-F302 HydrophobicContact CD1-CE1 3.97Å; F235-F302 HydrophobicContact CD1-CZ 4.43Å; F235-F302 HydrophobicContact CG-CE1 4.32Å
236	K	96.1	Very high	95.1	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-50.9	-178.8	-66.7	-174.8	178	166.1	0	111.6	F225 N226 D234 F238 N240 D296 I297 D300 F302 L306	F225-K236 WeakPolarHBondContact O-CE 3.26Å; F225-K236 PolarHBondContact O-NZ 3.13Å; N226-K236 VanDerWaalsContact OD1-CD 3.28Å; N226-K236 WeakPolarHBondContact OD1-CD 3.43Å; N226-K236 VanDerWaalsContact OD1-CE 3.29Å; N226-K236 WeakPolarHBondContact OD1-CE 3.42Å; N226-K236 PolarHBondContact OD1-NZ 3.23Å; D234-K236 PolarHBondContact O-N 2.98Å; D234-K236 PolarHBondContact OD1-N 3.21Å; K236-F238 VanDerWaalsContact C-N 3.31Å; K236-F238 PolarHBondContact O-N 3.19Å; K236-N240 VanDerWaalsContact O-CB 3.3Å; K236-N240 WeakPolarHBondContact O-CB 3.29Å; K236-N240 PolarHBondContact O-N 3.23Å; K236-D296 VanDerWaalsContact CD-O 3.3Å; K236-D296 WeakPolarHBondContact CD-O 3.43Å; K236-D296 VanDerWaalsContact CE-O 3.31Å; K236-D296 WeakPolarHBondContact CE-O 3.39Å; K236-D296 PolarHBondContact NZ-O 3.15Å; K236-I297 HydrophobicContact CB-CD1 3.55Å; K236-I297 HydrophobicContact CD-CD1 4.07Å; K236-I297 PolarHBondContact NZ-O 3.21Å; K236-D300 VanDerWaalsContact CE-O 3.27Å; K236-D300 WeakPolarHBondContact CE-O 3.3Å; K236-D300 PolarHBondContact NZ-O 2.92Å; K236-F302 HydrophobicContact CB-CD2 4.45Å; K236-F302 HydrophobicContact CG-CB 3.98Å; K236-F302 HydrophobicContact CG-CD2 3.64Å; K236-F302 HydrophobicContact CG-CE2 4.5Å; K236-F302 HydrophobicContact CG-CG 4.13Å; K236-L306 HydrophobicContact CD-CD1 4.33Å; K236-L306 HydrophobicContact CG-CD1 4.32Å
237	L	96.2	Very high	95.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-39.3	-179.3	-176	65.3	0	0	0	110.9	Y111 Y143 I145 D234 G241 E288 Y291 L292	Y111-L237 HydrophobicContact CE2-CD2 4.14Å; Y111-L237 HydrophobicContact CE2-CG 4.17Å; Y143-L237 HydrophobicContact CD1-CB 4.35Å; Y143-L237 HydrophobicContact CD1-CD2 3.56Å; Y143-L237 HydrophobicContact CE1-CB 4.37Å; Y143-L237 HydrophobicContact CE1-CD2 4.35Å; Y143-L237 HydrophobicContact CG-CD2 4.25Å; I145-L237 HydrophobicContact CD1-CD2 4.01Å; D234-L237 HydrophobicContact CB-CB 4.45Å; D234-L237 PolarHBondContact OD1-N 3.41Å; L237-G241 PolarHBondContact O-N 3.47Å; L237-G241 VanDerWaalsContact O-N 3.12Å; L237-E288 HydrophobicContact CD1-CG 4.33Å; L237-Y291 HydrophobicContact CD1-CD1 4.03Å; L237-L292 HydrophobicContact CD1-CD2 4.3Å; L237-L292 HydrophobicContact CD2-CD2 4.17Å
238	F	97.3	Very high	95.3	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-59.3	178.2	176.8	-104.7	0	0	0	111.6	Q107 V108 Y111 F233 D234 K236 G241 R242 P243	Q107-F238 HydrophobicContact CB-CE2 4.15Å; Q107-F238 HydrophobicContact CB-CZ 4.22Å; V108-F238 HydrophobicContact CB-CE2 4.47Å; V108-F238 HydrophobicContact CB-CZ 4.38Å; V108-F238 HydrophobicContact CG2-CE1 4.06Å; V108-F238 HydrophobicContact CG2-CE2 3.92Å; V108-F238 HydrophobicContact CG2-CZ 3.42Å; V108-F238 VanDerWaalsContact CG2-CZ 3.42Å; Y111-F238 HydrophobicContact CD1-CB 4.27Å; Y111-F238 AromaticContact CD1-CD2 3.81Å; Y111-F238 HydrophobicContact CD1-CD2 3.81Å; Y111-F238 HydrophobicContact CD1-CG 4.41Å; Y111-F238 HydrophobicContact CD2-CD2 4.06Å; Y111-F238 HydrophobicContact CE1-CB 4.04Å; Y111-F238 HydrophobicContact CE1-CD2 4.42Å; Y111-F238 HydrophobicContact CE2-CB 4.37Å; Y111-F238 AromaticContact CG-CD2 3.59Å; Y111-F238 HydrophobicContact CG-CD2 3.59Å; Y111-F238 HydrophobicContact CG-CE2 4.35Å; F233-F238 HydrophobicContact CE1-CB 4.35Å; F233-F238 HydrophobicContact CE1-CD1 4.35Å; F233-F238 HydrophobicContact CE1-CG 4.4Å; F233-F238 HydrophobicContact CE2-CB 4.33Å; F233-F238 HydrophobicContact CE2-CD1 4.16Å; F233-F238 AromaticContact CE2-CD2 3.99Å; F233-F238 HydrophobicContact CE2-CD2 3.99Å; F233-F238 HydrophobicContact CE2-CE2 4.38Å; F233-F238 AromaticContact CE2-CG 3.87Å; F233-F238 HydrophobicContact CE2-CG 3.87Å; F233-F238 HydrophobicContact CZ-CB 3.94Å; F233-F238 AromaticContact CZ-CD1 3.5Å; F233-F238 HydrophobicContact CZ-CD1 3.5Å; F233-F238 VanDerWaalsContact CZ-CD1 3.5Å; F233-F238 HydrophobicContact CZ-CD2 4.14Å; F233-F238 HydrophobicContact CZ-CE1 4.03Å; F233-F238 AromaticContact CZ-CG 3.56Å; F233-F238 HydrophobicContact CZ-CG 3.56Å; D234-F238 WeakPolarHBondContact O-CB 3.45Å; D234-F238 PolarHBondContact O-N 2.68Å; K236-F238 VanDerWaalsContact C-N 3.31Å; K236-F238 PolarHBondContact O-N 3.19Å; F238-G241 PolarHBondContact O-N 2.96Å; F238-R242 HydrophobicContact CD2-CB 3.96Å; F238-R242 HydrophobicContact CD2-CG 3.74Å; F238-R242 HydrophobicContact CE2-CB 3.78Å; F238-R242 HydrophobicContact CE2-CG 3.94Å; F238-R242 HydrophobicContact CZ-CB 4.42Å; F238-R242 WeakPolarHBondContact O-CB 3.44Å; F238-R242 PolarHBondContact O-N 3.31Å; F238-P243 HydrophobicContact CE1-CG 4.24Å; F238-P243 VanDerWaalsContact O-CD 3.23Å; F238-P243 WeakPolarHBondContact O-CD 3.41Å
239	F	96.9	Very high	95.4	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.044	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-44.5	-171.4	-84.4	-82.3	0	0	0	112.5	L187 V191 F235 P243 G244 F302 D310 C311	L187-F239 HydrophobicContact CD1-CE1 4.37Å; L187-F239 HydrophobicContact CD1-CZ 4.46Å; L187-F239 HydrophobicContact CD2-CE1 3.98Å; L187-F239 HydrophobicContact CG-CE1 4.09Å; V191-F239 HydrophobicContact CB-CE1 4.29Å; V191-F239 HydrophobicContact CB-CE2 4.2Å; V191-F239 HydrophobicContact CB-CZ 3.8Å; V191-F239 HydrophobicContact CG1-CE1 4.24Å; V191-F239 HydrophobicContact CG1-CZ 4.21Å; V191-F239 HydrophobicContact CG2-CD2 3.97Å; V191-F239 HydrophobicContact CG2-CE1 4.15Å; V191-F239 HydrophobicContact CG2-CE2 3.22Å; V191-F239 HydrophobicContact CG2-CZ 3.31Å; F235-F239 HydrophobicContact CB-CD2 4.4Å; F235-F239 HydrophobicContact CD1-CD2 4.05Å; F235-F239 AromaticContact CD1-CE2 3.63Å; F235-F239 HydrophobicContact CD1-CE2 3.63Å; F235-F239 HydrophobicContact CE1-CE2 4.07Å; F235-F239 HydrophobicContact CG-CE2 4.49Å; F235-F239 WeakPolarHBondContact O-CB 3.15Å; F235-F239 VanDerWaalsContact O-CD2 3.31Å; F235-F239 WeakPolarHBondContact O-CD2 3.45Å; F235-F239 PolarHBondContact O-N 3.41Å; F239-P243 HydrophobicContact CD1-CG 3.81Å; F239-P243 HydrophobicContact CE1-CG 4.37Å; F239-P243 HydrophobicContact CG-CG 4.45Å; F239-P243 WeakPolarHBondContact O-CD 3.18Å; F239-P243 WeakPolarHBondContact O-CG 3.08Å; F239-G244 PolarHBondContact O-N 3.13Å; F239-F302 HydrophobicContact CB-CZ 4.48Å; F239-F302 AromaticContact CD2-CZ 3.98Å; F239-F302 HydrophobicContact CD2-CZ 3.98Å; F239-F302 HydrophobicContact CG-CZ 4.34Å; F239-D310 HydrophobicContact CB-CB 4.06Å; F239-C311 WeakPolarHBondContact CD1-SG 3.33Å; F239-C311 VanDerWaalsContact CE1-SG 3.55Å
240	N	95	Very high	95.6	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.07	11%	0.108	C	C	.	.	I	π-helix	trans	-62	-51.9	176.6	-176.6	-99.6	0	0	0	111.6	K236 I245 Y291 D310	K236-N240 VanDerWaalsContact O-CB 3.3Å; K236-N240 WeakPolarHBondContact O-CB 3.29Å; K236-N240 PolarHBondContact O-N 3.23Å; N240-I245 VanDerWaalsContact O-CG1 3.29Å; N240-I245 WeakPolarHBondContact O-CG1 3.28Å; N240-I245 PolarHBondContact O-N 3.46Å; N240-I245 WeakPolarHBondContact OD1-CD1 3.09Å; N240-Y291 HydrophobicContact CB-CE1 4.26Å; N240-Y291 VanDerWaalsContact CG-OH 3.25Å; N240-Y291 PolarHBondContact ND2-OH 2.86Å; N240-Y291 VanDerWaalsContact OD1-CZ 3.26Å; N240-Y291 PolarHBondContact OD1-OH 3.08Å; N240-D310 VanDerWaalsContact CA-CG 3.42Å; N240-D310 WeakPolarHBondContact CA-OD1 3.17Å; N240-D310 WeakPolarHBondContact CA-OD2 3.37Å; N240-D310 PolarHBondContact N-OD2 3.33Å; N240-D310 PolarHBondContact ND2-OD1 3.04Å
241	G	94.3	Very high	95.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-73.1	-47.3	-173.3	0	0	0	0	0	113.5	L237 F238 V246 F285	L237-G241 PolarHBondContact O-N 3.47Å; L237-G241 VanDerWaalsContact O-N 3.12Å; F238-G241 PolarHBondContact O-N 2.96Å; G241-V246 WeakPolarHBondContact O-CG2 3.2Å; G241-V246 PolarHBondContact O-N 2.88Å; G241-V246 VanDerWaalsContact O-N 3.09Å; G241-F285 WeakPolarHBondContact O-CZ 3.37Å
242	R	94.8	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-90.9	-79.3	-164.7	-51.8	-65.6	176.8	-84	-4.6	112.6	Q107 Y111 N146 G147 F238 G244 V246 E288	Q107-R242 HydrophobicContact CB-CB 4.04Å; Q107-R242 HydrophobicContact CG-CB 4.33Å; Y111-R242 HydrophobicContact CD2-CG 4.06Å; N146-R242 PolarHBondContact OD1-NH2 3.39Å; G147-R242 VanDerWaalsContact CA-CZ 3.45Å; G147-R242 VanDerWaalsContact CA-NH2 3.3Å; F238-R242 HydrophobicContact CD2-CB 3.96Å; F238-R242 HydrophobicContact CD2-CG 3.74Å; F238-R242 HydrophobicContact CE2-CB 3.78Å; F238-R242 HydrophobicContact CE2-CG 3.94Å; F238-R242 HydrophobicContact CZ-CB 4.42Å; F238-R242 WeakPolarHBondContact O-CB 3.44Å; F238-R242 PolarHBondContact O-N 3.31Å; R242-G244 PolarHBondContact O-N 3.12Å; R242-V246 VanDerWaalsContact O-CB 3.31Å; R242-V246 WeakPolarHBondContact O-CB 3.44Å; R242-V246 PolarHBondContact O-N 3.06Å; R242-E288 IonicContact CZ-OE1 2.76Å; R242-E288 VanDerWaalsContact CZ-OE1 3.28Å; R242-E288 IonicContact NH1-OE1 2.77Å; R242-E288 PolarHBondContact NH1-OE1 3.26Å; R242-E288 IonicContact NH2-OE1 2.79Å; R242-E288 PolarHBondContact NH2-OE1 2.95Å; R242-E288 IonicContact NH2-OE2 2.7Å
243	P	91.5	Very high	96.4	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.019	4%	0.038	C	C	.	.	I	π-helix	trans	-65.9	-20.4	179.9	30.7	-35.9	0	0	0	113.3	F238 F239 A247	F238-P243 HydrophobicContact CE1-CG 4.24Å; F238-P243 VanDerWaalsContact O-CD 3.23Å; F238-P243 WeakPolarHBondContact O-CD 3.41Å; F239-P243 HydrophobicContact CD1-CG 3.81Å; F239-P243 HydrophobicContact CE1-CG 4.37Å; F239-P243 HydrophobicContact CG-CG 4.45Å; F239-P243 WeakPolarHBondContact O-CD 3.18Å; F239-P243 WeakPolarHBondContact O-CG 3.08Å; P243-A247 WeakPolarHBondContact O-CB 3.28Å
244	G	91.4	Very high	96.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-81.6	-84.1	172.5	0	0	0	0	0	113	F239 R242 A247 W248 D310	F239-G244 PolarHBondContact O-N 3.13Å; R242-G244 PolarHBondContact O-N 3.12Å; G244-A247 WeakPolarHBondContact O-CB 3.43Å; G244-A247 PolarHBondContact O-N 3.49Å; G244-W248 PolarHBondContact O-N 2.81Å; G244-W248 VanDerWaalsContact O-N 3.15Å; G244-D310 WeakPolarHBondContact CA-O 3.11Å
245	I	96.1	Very high	96.6	Very high	14 Å²	14	6.2 Å²	6.2	7%	0.072	3%	0.033	C	C	.	.	I	π-helix	trans	-69.4	-37.3	-167.9	-67	169.2	0	0	0	113.6	N240 A247 W248 V281 F284 F285 L314	N240-I245 VanDerWaalsContact O-CG1 3.29Å; N240-I245 WeakPolarHBondContact O-CG1 3.28Å; N240-I245 PolarHBondContact O-N 3.46Å; N240-I245 WeakPolarHBondContact OD1-CD1 3.09Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 2.93Å; I245-W248 WeakPolarHBondContact O-CB 3.3Å; I245-W248 PolarHBondContact O-N 3.09Å; I245-V281 HydrophobicContact CG2-CB 4.36Å; I245-V281 HydrophobicContact CG2-CG1 3.72Å; I245-V281 HydrophobicContact CG2-CG2 4.06Å; I245-F284 HydrophobicContact CD1-CD1 3.9Å; I245-F284 HydrophobicContact CD1-CD2 4.03Å; I245-F284 HydrophobicContact CD1-CE1 3.59Å; I245-F284 HydrophobicContact CD1-CE2 3.7Å; I245-F284 HydrophobicContact CD1-CG 4.12Å; I245-F284 HydrophobicContact CD1-CZ 3.47Å; I245-F284 VanDerWaalsContact CD1-CZ 3.47Å; I245-F284 HydrophobicContact CG2-CD1 4.01Å; I245-F284 HydrophobicContact CG2-CE1 4.42Å; I245-F285 HydrophobicContact CB-CZ 4.09Å; I245-F285 HydrophobicContact CG2-CE2 3.69Å; I245-F285 HydrophobicContact CG2-CZ 3.64Å; I245-L314 HydrophobicContact CG1-CD1 3.9Å
246	V	97.4	Very high	96.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-64.8	-39.3	173.6	-177	0	0	0	0	110.7	W103 W151 T154 G241 R242 W248 T249 F285	W103-V246 HydrophobicContact CH2-CB 4.17Å; W103-V246 HydrophobicContact CH2-CG1 3.83Å; W151-V246 HydrophobicContact CB-CG2 4.35Å; T154-V246 HydrophobicContact CG2-CG1 3.91Å; G241-V246 WeakPolarHBondContact O-CG2 3.2Å; G241-V246 PolarHBondContact O-N 2.88Å; G241-V246 VanDerWaalsContact O-N 3.09Å; R242-V246 VanDerWaalsContact O-CB 3.31Å; R242-V246 WeakPolarHBondContact O-CB 3.44Å; R242-V246 PolarHBondContact O-N 3.06Å; V246-W248 VanDerWaalsContact C-N 3.28Å; V246-W248 PolarHBondContact O-N 3.43Å; V246-T249 PolarHBondContact O-OG1 3.37Å; V246-F285 HydrophobicContact CB-CZ 4.44Å; V246-F285 HydrophobicContact CG2-CE1 4.22Å; V246-F285 HydrophobicContact CG2-CE2 3.9Å; V246-F285 HydrophobicContact CG2-CZ 3.41Å; V246-F285 VanDerWaalsContact CG2-CZ 3.41Å
247	A	97.3	Very high	96.8	Very high	8 Å²	8	7.2 Å²	7.2	7%	0.066	4%	0.044	C	C	.	.	H	α-helix	trans	-63.7	-34.5	179.4	0	0	0	0	0	112.1	W103 P243 G244 I245 T249 L250 I251	W103-A247 HydrophobicContact CZ2-CB 3.8Å; P243-A247 WeakPolarHBondContact O-CB 3.28Å; G244-A247 WeakPolarHBondContact O-CB 3.43Å; G244-A247 PolarHBondContact O-N 3.49Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 2.93Å; A247-T249 PolarHBondContact O-N 2.73Å; A247-L250 PolarHBondContact O-N 2.85Å; A247-L250 VanDerWaalsContact O-N 3.12Å; A247-I251 HydrophobicContact CB-CD1 4.03Å; A247-I251 WeakPolarHBondContact O-CB 3.27Å; A247-I251 WeakPolarHBondContact O-CD1 3.3Å; A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.05Å
248	W	98.2	Very high	96.9	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.011	5%	0.049	C	C	.	.	H	α-helix	trans	-49.2	-57.3	-179	-176	-1.1	0	0	0	112.5	G244 I245 V246 L250 I251 N252 Q277 Y280 V281 L314 Y318 T319 Y418	G244-W248 PolarHBondContact O-N 2.81Å; G244-W248 VanDerWaalsContact O-N 3.15Å; I245-W248 WeakPolarHBondContact O-CB 3.3Å; I245-W248 PolarHBondContact O-N 3.09Å; V246-W248 VanDerWaalsContact C-N 3.28Å; V246-W248 PolarHBondContact O-N 3.43Å; W248-L250 VanDerWaalsContact C-N 3.33Å; W248-L250 PolarHBondContact O-N 3.33Å; W248-I251 PolarHBondContact O-N 3.48Å; W248-N252 PolarHBondContact NE1-ND2 2.84Å; W248-N252 PolarHBondContact O-N 3.13Å; W248-N252 VanDerWaalsContact O-N 3.12Å; W248-N252 PolarHBondContact O-ND2 2.72Å; W248-Q277 HydrophobicContact CZ2-CB 4.1Å; W248-Q277 HydrophobicContact CZ2-CG 3.78Å; W248-Q277 VanDerWaalsContact NE1-CD 3.33Å; W248-Y280 HydrophobicContact CH2-CD1 4.15Å; W248-Y280 HydrophobicContact CH2-CE1 4.47Å; W248-Y280 AromaticContact CZ3-CD1 3.91Å; W248-Y280 HydrophobicContact CZ3-CD1 3.91Å; W248-Y280 HydrophobicContact CZ3-CE1 4.14Å; W248-V281 HydrophobicContact CD2-CG2 3.95Å; W248-V281 HydrophobicContact CE3-CG2 3.49Å; W248-V281 VanDerWaalsContact CE3-CG2 3.49Å; W248-V281 HydrophobicContact CG-CG2 4.44Å; W248-V281 HydrophobicContact CZ3-CG2 3.95Å; W248-L314 HydrophobicContact CB-CD2 4.42Å; W248-Y318 HydrophobicContact CE3-CD2 4.18Å; W248-Y318 AromaticContact CH2-CD2 3.79Å; W248-Y318 HydrophobicContact CH2-CD2 3.79Å; W248-Y318 HydrophobicContact CZ2-CD2 4.16Å; W248-Y318 AromaticContact CZ3-CD2 3.8Å; W248-Y318 HydrophobicContact CZ3-CD2 3.8Å; W248-Y318 HydrophobicContact CZ3-CE2 4.46Å; W248-Y318 PolarHBondContact NE1-O 2.59Å; W248-T319 VanDerWaalsContact CD1-CG2 3.43Å; W248-T319 HydrophobicContact CG-CG2 4.34Å; W248-Y418 HydrophobicContact CZ2-CE2 4.49Å
249	T	98	Very high	96.9	Very high	5 Å²	5	8.3 Å²	8.3	3%	0.031	5%	0.048	C	C	.	.	H	α-helix	trans	-69.7	-32.2	-178.9	46.8	0	0	0	0	112.4	W151 H155 V246 A247 N252 L253 A278 V281	W151-T249 PolarHBondContact NE1-OG1 2.87Å; H155-T249 PolarHBondContact CE1-OG1 3.48Å; H155-T249 WeakPolarHBondContact NE2-CB 3.44Å; H155-T249 PolarHBondContact NE2-OG1 3.4Å; V246-T249 PolarHBondContact O-OG1 3.37Å; A247-T249 PolarHBondContact O-N 2.73Å; T249-N252 PolarHBondContact O-N 3.25Å; T249-L253 WeakPolarHBondContact O-CG 3.23Å; T249-L253 PolarHBondContact O-N 2.78Å; T249-A278 HydrophobicContact CG2-CB 4.27Å; T249-V281 HydrophobicContact CG2-CB 3.79Å; T249-V281 HydrophobicContact CG2-CG1 3.89Å; T249-V281 HydrophobicContact CG2-CG2 3.9Å
250	L	97.7	Very high	97	Very high	17 Å²	17	15.3 Å²	15.3	9%	0.089	7%	0.074	C	C	.	.	H	α-helix	trans	-66.4	-40.8	176.2	-169.1	67.7	0	0	0	112.2	W103 T154 W158 I173 A247 W248 L253 S254	W103-L250 HydrophobicContact CE3-CD2 4.43Å; W103-L250 HydrophobicContact CH2-CD2 4.32Å; W103-L250 HydrophobicContact CZ3-CD2 3.94Å; T154-L250 HydrophobicContact CG2-CD2 4.23Å; W158-L250 HydrophobicContact CB-CD1 3.69Å; W158-L250 VanDerWaalsContact CD1-CD1 3.48Å; W158-L250 HydrophobicContact CD2-CD1 4.29Å; W158-L250 HydrophobicContact CG-CD1 3.53Å; I173-L250 HydrophobicContact CD1-CB 4.49Å; I173-L250 HydrophobicContact CD1-CD2 3.99Å; I173-L250 HydrophobicContact CD1-CG 3.75Å; A247-L250 PolarHBondContact O-N 2.85Å; A247-L250 VanDerWaalsContact O-N 3.12Å; W248-L250 VanDerWaalsContact C-N 3.33Å; W248-L250 PolarHBondContact O-N 3.33Å; L250-L253 PolarHBondContact O-N 2.85Å; L250-S254 PolarHBondContact O-N 2.77Å
251	I	98.5	Very high	97.1	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.041	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-48.5	174.3	-68.8	158.8	0	0	0	109.6	I173 W177 A247 W248 L253 S254 F255 P315 T319	I173-I251 HydrophobicContact CG2-CG1 3.99Å; W177-I251 HydrophobicContact CH2-CD1 4Å; W177-I251 HydrophobicContact CH2-CG1 4.37Å; W177-I251 HydrophobicContact CH2-CG2 3.74Å; W177-I251 HydrophobicContact CZ3-CD1 3.96Å; W177-I251 HydrophobicContact CZ3-CG1 3.98Å; W177-I251 HydrophobicContact CZ3-CG2 3.76Å; A247-I251 HydrophobicContact CB-CD1 4.03Å; A247-I251 WeakPolarHBondContact O-CB 3.27Å; A247-I251 WeakPolarHBondContact O-CD1 3.3Å; A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.05Å; W248-I251 PolarHBondContact O-N 3.48Å; I251-L253 VanDerWaalsContact C-N 3.32Å; I251-L253 PolarHBondContact O-N 2.88Å; I251-S254 WeakPolarHBondContact O-CB 3.26Å; I251-S254 PolarHBondContact O-N 3.39Å; I251-S254 VanDerWaalsContact O-N 3.1Å; I251-F255 HydrophobicContact CG2-CD1 4.3Å; I251-F255 HydrophobicContact CG2-CD2 4.01Å; I251-F255 HydrophobicContact CG2-CE1 3.8Å; I251-F255 HydrophobicContact CG2-CE2 3.47Å; I251-F255 VanDerWaalsContact CG2-CE2 3.47Å; I251-F255 HydrophobicContact CG2-CG 4.43Å; I251-F255 HydrophobicContact CG2-CZ 3.36Å; I251-F255 WeakPolarHBondContact O-CD1 3.35Å; I251-F255 WeakPolarHBondContact O-CG 3.43Å; I251-F255 PolarHBondContact O-N 3.15Å; I251-P315 HydrophobicContact CD1-CB 3.7Å; I251-T319 HydrophobicContact CB-CG2 4.04Å; I251-T319 HydrophobicContact CD1-CG2 4.4Å; I251-T319 HydrophobicContact CG2-CG2 3.73Å
252	N	98.5	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-38.3	178.9	-69.7	-30.2	0	0	0	113.1	W248 T249 S254 F255 A256 N274 Q277	W248-N252 PolarHBondContact NE1-ND2 2.84Å; W248-N252 PolarHBondContact O-N 3.13Å; W248-N252 VanDerWaalsContact O-N 3.12Å; W248-N252 PolarHBondContact O-ND2 2.72Å; T249-N252 PolarHBondContact O-N 3.25Å; N252-S254 VanDerWaalsContact C-N 3.34Å; N252-F255 WeakPolarHBondContact O-CB 3.41Å; N252-F255 PolarHBondContact O-N 3.41Å; N252-A256 PolarHBondContact O-N 3.45Å; N252-N274 VanDerWaalsContact C-OD1 3.32Å; N252-N274 WeakPolarHBondContact CB-OD1 3.27Å; N252-N274 PolarHBondContact O-OD1 3.41Å; N252-Q277 PolarHBondContact ND2-OE1 3.2Å
253	L	98.4	Very high	97.5	Very high	34 Å²	34	26.8 Å²	26.8	18%	0.178	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-40.9	174.1	-73.1	174.8	0	0	0	111.6	W158 F159 T249 L250 I251 F255 A256 A257	W158-L253 HydrophobicContact CE3-CB 4.45Å; W158-L253 HydrophobicContact CE3-CD1 4Å; W158-L253 HydrophobicContact CH2-CB 3.8Å; W158-L253 HydrophobicContact CZ2-CB 3.95Å; W158-L253 HydrophobicContact CZ3-CB 4.06Å; W158-L253 HydrophobicContact CZ3-CD1 4.08Å; W158-L253 HydrophobicContact CZ3-CD2 4.44Å; W158-L253 HydrophobicContact CZ3-CG 4.44Å; F159-L253 HydrophobicContact CE2-CD1 4.17Å; F159-L253 HydrophobicContact CZ-CD1 4.09Å; F159-L253 HydrophobicContact CZ-CD2 4.17Å; T249-L253 WeakPolarHBondContact O-CG 3.23Å; T249-L253 PolarHBondContact O-N 2.78Å; L250-L253 PolarHBondContact O-N 2.85Å; I251-L253 VanDerWaalsContact C-N 3.32Å; I251-L253 PolarHBondContact O-N 2.88Å; L253-F255 VanDerWaalsContact C-N 3.31Å; L253-F255 PolarHBondContact O-N 3.47Å; L253-A256 PolarHBondContact O-N 2.75Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.34Å
254	S	98.6	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-35.5	173.1	-177.4	0	0	0	0	112.4	P170 T171 I173 F174 L250 I251 N252 K258	P170-S254 WeakPolarHBondContact O-CA 3.46Å; P170-S254 PolarHBondContact O-OG 2.83Å; T171-S254 VanDerWaalsContact C-OG 3.32Å; T171-S254 WeakPolarHBondContact CA-OG 3.44Å; T171-S254 PolarHBondContact O-OG 3.04Å; I173-S254 WeakPolarHBondContact CB-OG 3.46Å; I173-S254 PolarHBondContact N-OG 3.24Å; F174-S254 PolarHBondContact N-OG 3.47Å; F174-S254 VanDerWaalsContact N-OG 3.16Å; L250-S254 PolarHBondContact O-N 2.77Å; I251-S254 WeakPolarHBondContact O-CB 3.26Å; I251-S254 PolarHBondContact O-N 3.39Å; I251-S254 VanDerWaalsContact O-N 3.1Å; N252-S254 VanDerWaalsContact C-N 3.34Å; S254-K258 WeakPolarHBondContact O-CB 3.28Å; S254-K258 PolarHBondContact O-N 3.26Å
255	F	98.7	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-43.4	175	-67	-9.8	0	0	0	111.5	F174 W177 I251 N252 L253 A257 K258 Q259 M270 G322 L323 V326	F174-F255 HydrophobicContact CB-CD1 3.98Å; F174-F255 HydrophobicContact CB-CE1 4.18Å; F174-F255 AromaticContact CD2-CD1 3.57Å; F174-F255 HydrophobicContact CD2-CD1 3.57Å; F174-F255 AromaticContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CD2-CE1 3.7Å; F174-F255 HydrophobicContact CG-CD1 4.26Å; F174-F255 HydrophobicContact CG-CE1 4.41Å; W177-F255 HydrophobicContact CD2-CE1 4.26Å; W177-F255 HydrophobicContact CD2-CZ 4.04Å; W177-F255 AromaticContact CE2-CZ 3.81Å; W177-F255 HydrophobicContact CE3-CE1 4.36Å; W177-F255 HydrophobicContact CE3-CZ 4.26Å; W177-F255 HydrophobicContact CH2-CZ 4.1Å; W177-F255 AromaticContact CZ2-CZ 3.83Å; W177-F255 HydrophobicContact CZ2-CZ 3.83Å; W177-F255 HydrophobicContact CZ3-CZ 4.31Å; I251-F255 HydrophobicContact CG2-CD1 4.3Å; I251-F255 HydrophobicContact CG2-CD2 4.01Å; I251-F255 HydrophobicContact CG2-CE1 3.8Å; I251-F255 HydrophobicContact CG2-CE2 3.47Å; I251-F255 VanDerWaalsContact CG2-CE2 3.47Å; I251-F255 HydrophobicContact CG2-CG 4.43Å; I251-F255 HydrophobicContact CG2-CZ 3.36Å; I251-F255 WeakPolarHBondContact O-CD1 3.35Å; I251-F255 WeakPolarHBondContact O-CG 3.43Å; I251-F255 PolarHBondContact O-N 3.15Å; N252-F255 WeakPolarHBondContact O-CB 3.41Å; N252-F255 PolarHBondContact O-N 3.41Å; L253-F255 VanDerWaalsContact C-N 3.31Å; L253-F255 PolarHBondContact O-N 3.47Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.44Å; F255-K258 PolarHBondContact O-N 3.34Å; F255-K258 VanDerWaalsContact O-N 3.15Å; F255-Q259 PolarHBondContact O-N 2.75Å; F255-M270 HydrophobicContact CB-CE 4.26Å; F255-G322 VanDerWaalsContact CD2-C 3.41Å; F255-L323 HydrophobicContact CD2-CB 4.26Å; F255-L323 HydrophobicContact CE1-CD1 4.33Å; F255-L323 HydrophobicContact CE2-CB 3.67Å; F255-L323 HydrophobicContact CE2-CD1 4.37Å; F255-L323 HydrophobicContact CZ-CB 4.1Å; F255-L323 HydrophobicContact CZ-CD1 3.98Å; F255-V326 HydrophobicContact CB-CG2 3.76Å; F255-V326 HydrophobicContact CG-CG2 4.27Å; F255-V326 WeakPolarHBondContact O-CG2 3.38Å
256	A	98.7	Very high	98	Very high	16 Å²	16	38.2 Å²	38.2	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-42.4	173.9	0	0	0	0	0	111.9	N252 L253 K258 Q259 R260 V266 M270	N252-A256 PolarHBondContact O-N 3.45Å; L253-A256 PolarHBondContact O-N 2.75Å; A256-K258 VanDerWaalsContact C-N 3.3Å; A256-K258 PolarHBondContact O-N 2.91Å; A256-Q259 PolarHBondContact O-N 3.46Å; A256-R260 PolarHBondContact O-N 2.92Å; A256-V266 HydrophobicContact CB-CG1 4.38Å; A256-M270 HydrophobicContact CB-CG 3.76Å; A256-M270 HydrophobicContact CB-SD 4.22Å
257	A	98.6	Very high	98.1	Very high	19 Å²	19	38.2 Å²	38.2	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-40.6	173.7	0	0	0	0	0	111.6	P170 T171 L253 F255 R260 E261	P170-A257 HydrophobicContact CB-CB 3.88Å; P170-A257 HydrophobicContact CG-CB 4.21Å; T171-A257 HydrophobicContact CG2-CB 3.83Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.34Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.44Å; A257-R260 WeakPolarHBondContact O-CB 3.27Å; A257-R260 PolarHBondContact O-N 3.13Å; A257-E261 PolarHBondContact O-N 2.88Å
258	K	98.7	Very high	98.1	Very high	24 Å²	24	39.7 Å²	39.7	10%	0.104	21%	0.205	C	C	.	.	H	α-helix	trans	-68.4	-40.6	178.1	-170.7	73.6	178.2	-178.2	0	112.1	T171 F174 D175 S254 F255 A256 R260 E261 L262 V326	T171-K258 HydrophobicContact CG2-CB 4.03Å; T171-K258 HydrophobicContact CG2-CD 4.02Å; F174-K258 HydrophobicContact CB-CB 4.08Å; F174-K258 HydrophobicContact CB-CD 4.48Å; F174-K258 HydrophobicContact CB-CG 4.25Å; F174-K258 HydrophobicContact CD1-CB 4.14Å; F174-K258 HydrophobicContact CD1-CD 3.51Å; F174-K258 HydrophobicContact CD1-CG 3.38Å; F174-K258 HydrophobicContact CD2-CB 4.29Å; F174-K258 HydrophobicContact CD2-CG 4.15Å; F174-K258 HydrophobicContact CE1-CD 3.96Å; F174-K258 HydrophobicContact CE1-CG 3.66Å; F174-K258 HydrophobicContact CE2-CG 4.37Å; F174-K258 HydrophobicContact CG-CB 3.9Å; F174-K258 HydrophobicContact CG-CD 4.11Å; F174-K258 HydrophobicContact CG-CG 3.65Å; F174-K258 HydrophobicContact CZ-CG 4.14Å; D175-K258 IonicContact OD1-NZ 2.76Å; D175-K258 PolarHBondContact OD1-NZ 3.41Å; S254-K258 WeakPolarHBondContact O-CB 3.28Å; S254-K258 PolarHBondContact O-N 3.26Å; F255-K258 PolarHBondContact O-N 3.34Å; F255-K258 VanDerWaalsContact O-N 3.15Å; A256-K258 VanDerWaalsContact C-N 3.3Å; A256-K258 PolarHBondContact O-N 2.91Å; K258-R260 VanDerWaalsContact C-N 3.25Å; K258-R260 PolarHBondContact O-N 3.03Å; K258-E261 WeakPolarHBondContact CE-OE1 3.4Å; K258-E261 IonicContact NZ-OE1 2.88Å; K258-E261 PolarHBondContact NZ-OE1 2.9Å; K258-E261 WeakPolarHBondContact O-CB 3.29Å; K258-E261 PolarHBondContact O-N 3.34Å; K258-E261 VanDerWaalsContact O-N 3.13Å; K258-L262 HydrophobicContact CD-CG 4.44Å; K258-L262 HydrophobicContact CG-CD1 3.97Å; K258-L262 HydrophobicContact CG-CG 4.25Å; K258-L262 WeakPolarHBondContact O-CG 3.45Å; K258-L262 PolarHBondContact O-N 3.38Å; K258-V326 HydrophobicContact CB-CG1 4.15Å; K258-V326 HydrophobicContact CB-CG2 4.49Å; K258-V326 HydrophobicContact CG-CG1 3.74Å
259	Q	98.6	Very high	98.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-42.3	174.9	-167.8	-170.8	54.6	0	0	110.6	F255 A256 L262 H263 V266 T267 M270 L325	F255-Q259 PolarHBondContact O-N 2.75Å; A256-Q259 PolarHBondContact O-N 3.46Å; Q259-L262 PolarHBondContact O-N 2.9Å; Q259-H263 WeakPolarHBondContact O-CB 3.45Å; Q259-H263 PolarHBondContact O-CD2 3.4Å; Q259-H263 PolarHBondContact O-N 3.24Å; Q259-V266 VanDerWaalsContact OE1-CA 3.31Å; Q259-T267 PolarHBondContact NE2-OG1 2.96Å; Q259-M270 HydrophobicContact CB-CE 3.99Å; Q259-M270 HydrophobicContact CG-CE 4.43Å; Q259-L325 PolarHBondContact NE2-O 2.57Å
260	R	98.1	Very high	98.2	Very high	157 Å²	157	39.3 Å²	39.3	59%	0.592	20%	0.203	S	C	*	.	H	α-helix	trans	-62.6	-42.9	174.1	-170.6	179.3	178.7	-178.8	-0.8	112.7	A256 A257 K258 S264 V266	A256-R260 PolarHBondContact O-N 2.92Å; A257-R260 WeakPolarHBondContact O-CB 3.27Å; A257-R260 PolarHBondContact O-N 3.13Å; K258-R260 VanDerWaalsContact C-N 3.25Å; K258-R260 PolarHBondContact O-N 3.03Å; R260-S264 CarbonylContact O-C 3.55Å; R260-S264 WeakPolarHBondContact O-CA 3.32Å; R260-S264 PolarHBondContact O-N 3.42Å; R260-V266 HydrophobicContact CB-CG2 3.76Å; R260-V266 HydrophobicContact CG-CG2 4.38Å
261	E	98	Very high	98.2	Very high	101 Å²	101	42 Å²	42	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-44.9	178.2	-173.5	-170.5	102.8	0	0	111.6	T171 A257 K258	T171-E261 HydrophobicContact CG2-CB 4.37Å; T171-E261 WeakPolarHBondContact CG2-OE2 3.41Å; T171-E261 PolarHBondContact OG1-OE2 3.43Å; T171-E261 VanDerWaalsContact OG1-OE2 3.11Å; A257-E261 PolarHBondContact O-N 2.88Å; K258-E261 WeakPolarHBondContact CE-OE1 3.4Å; K258-E261 IonicContact NZ-OE1 2.88Å; K258-E261 PolarHBondContact NZ-OE1 2.9Å; K258-E261 WeakPolarHBondContact O-CB 3.29Å; K258-E261 PolarHBondContact O-N 3.34Å; K258-E261 VanDerWaalsContact O-N 3.13Å
262	L	98.1	Very high	98.2	Very high	93 Å²	93	42.5 Å²	42.5	49%	0.487	22%	0.223	S	C	.	.	H	α-helix	trans	-78.6	-38.2	-176.4	-66	177.4	0	0	0	113.4	K258 Q259 V326	K258-L262 HydrophobicContact CD-CG 4.44Å; K258-L262 HydrophobicContact CG-CD1 3.97Å; K258-L262 HydrophobicContact CG-CG 4.25Å; K258-L262 WeakPolarHBondContact O-CG 3.45Å; K258-L262 PolarHBondContact O-N 3.38Å; Q259-L262 PolarHBondContact O-N 2.9Å; L262-V326 HydrophobicContact CD1-CG1 3.78Å
263	H	97.5	Very high	98.2	Very high	60 Å²	60	42.5 Å²	42.5	28%	0.278	22%	0.223	S	C	.	.	H	α-helix	trans	-114.3	5.2	-169.9	-53.6	-70.2	0	0	0	113.4	Q259 H265 V326	Q259-H263 WeakPolarHBondContact O-CB 3.45Å; Q259-H263 PolarHBondContact O-CD2 3.4Å; Q259-H263 PolarHBondContact O-N 3.24Å; H263-H265 PolarHBondContact O-CE1 3.12Å; H263-H265 PolarHBondContact O-N 3.42Å; H263-H265 PolarHBondContact O-ND1 2.96Å; H263-V326 PolarHBondContact NE2-O 2.99Å
264	S	96.2	Very high	98.3	Very high	108 Å²	108	41.9 Å²	41.9	76%	0.755	22%	0.22	S	C	*	.	S	Bend	trans	63.5	-2.7	-176	-57	0	0	0	0	116.2	R260	R260-S264 CarbonylContact O-C 3.55Å; R260-S264 WeakPolarHBondContact O-CA 3.32Å; R260-S264 PolarHBondContact O-N 3.42Å
265	H	96.9	Very high	98.2	Very high	97 Å²	97	45.1 Å²	45.1	45%	0.449	24%	0.239	S	C	.	.	S	Bend	trans	-149.6	163	178.5	66.7	-75.2	0	0	0	111.3	H263	H263-H265 PolarHBondContact O-CE1 3.12Å; H263-H265 PolarHBondContact O-N 3.42Å; H263-H265 PolarHBondContact O-ND1 2.96Å
266	V	98.4	Very high	98.2	Very high	53 Å²	53	45.5 Å²	45.5	32%	0.321	24%	0.241	S	C	.	.			trans	-104.2	126.6	172	-176.7	0	0	0	0	107.7	A256 Q259 R260 M270 V271	A256-V266 HydrophobicContact CB-CG1 4.38Å; Q259-V266 VanDerWaalsContact OE1-CA 3.31Å; R260-V266 HydrophobicContact CB-CG2 3.76Å; R260-V266 HydrophobicContact CG-CG2 4.38Å; V266-M270 HydrophobicContact CG1-CB 3.78Å; V266-M270 HydrophobicContact CG1-CG 3.68Å; V266-V271 HydrophobicContact CG1-CG2 3.91Å
267	T	98.6	Very high	98.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.			trans	-74.5	156.8	-177.9	69.8	0	0	0	0	111.7	Q259 A269 M270 V271 P329 V330	Q259-T267 PolarHBondContact NE2-OG1 2.96Å; T267-A269 PolarHBondContact O-N 3Å; T267-M270 PolarHBondContact O-N 2.96Å; T267-M270 VanDerWaalsContact O-N 3.13Å; T267-M270 PolarHBondContact OG1-N 3.44Å; T267-V271 PolarHBondContact O-N 2.71Å; T267-V271 VanDerWaalsContact O-N 3.15Å; T267-P329 HydrophobicContact CG2-CB 3.7Å; T267-V330 WeakPolarHBondContact CB-O 3.22Å; T267-V330 PolarHBondContact OG1-O 3.23Å
268	N	98.2	Very high	98.2	Very high	38 Å²	38	45 Å²	45	20%	0.203	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-30.7	177.5	66.6	0.1	0	0	0	112.5	V271 L272 Q331 L332	N268-V271 PolarHBondContact O-N 2.94Å; N268-L272 WeakPolarHBondContact O-CB 3.2Å; N268-L272 VanDerWaalsContact O-CG 3.3Å; N268-L272 WeakPolarHBondContact O-CG 3.2Å; N268-L272 PolarHBondContact O-N 3.31Å; N268-Q331 VanDerWaalsContact N-OE1 3.08Å; N268-Q331 PolarHBondContact ND2-NE2 2.9Å; N268-Q331 PolarHBondContact OD1-OE1 3.4Å; N268-L332 PolarHBondContact ND2-O 3.38Å; N268-L332 PolarHBondContact OD1-N 3.36Å
269	A	98.7	Very high	98.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-46.6	173.7	0	0	0	0	0	111.8	T267 V271 L272 V273 L325 V330 L332 A421	T267-A269 PolarHBondContact O-N 3Å; A269-V271 VanDerWaalsContact C-N 3.33Å; A269-V271 PolarHBondContact O-N 3.24Å; A269-L272 PolarHBondContact O-N 2.75Å; A269-V273 WeakPolarHBondContact O-CG2 3.31Å; A269-V273 PolarHBondContact O-N 3.49Å; A269-L325 HydrophobicContact CB-CD1 4.04Å; A269-L325 HydrophobicContact CB-CD2 3.78Å; A269-V330 HydrophobicContact CB-CB 4.23Å; A269-V330 HydrophobicContact CB-CG1 4.41Å; A269-V330 WeakPolarHBondContact CB-O 3.37Å; A269-L332 HydrophobicContact CB-CD1 4.28Å; A269-L332 HydrophobicContact CB-CG 4.34Å; A269-A421 WeakPolarHBondContact CB-O 3.33Å
270	M	98.8	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-41.9	178.7	179.7	66.8	84.9	0	0	111	F255 A256 Q259 V266 T267 N274 G322 L325 V326	F255-M270 HydrophobicContact CB-CE 4.26Å; A256-M270 HydrophobicContact CB-CG 3.76Å; A256-M270 HydrophobicContact CB-SD 4.22Å; Q259-M270 HydrophobicContact CB-CE 3.99Å; Q259-M270 HydrophobicContact CG-CE 4.43Å; V266-M270 HydrophobicContact CG1-CB 3.78Å; V266-M270 HydrophobicContact CG1-CG 3.68Å; T267-M270 PolarHBondContact O-N 2.96Å; T267-M270 VanDerWaalsContact O-N 3.13Å; T267-M270 PolarHBondContact OG1-N 3.44Å; M270-N274 WeakPolarHBondContact O-CB 3.35Å; M270-N274 PolarHBondContact O-N 2.88Å; M270-N274 PolarHBondContact O-ND2 3.48Å; M270-N274 PolarHBondContact SD-ND2 3.29Å; M270-N274 VanDerWaalsContact SD-ND2 3.43Å; M270-G322 WeakPolarHBondContact CE-O 3.27Å; M270-L325 HydrophobicContact CB-CD1 4.27Å; M270-L325 HydrophobicContact CE-CB 3.58Å; M270-L325 HydrophobicContact SD-CB 4.27Å; M270-L325 HydrophobicContact SD-CD1 4.45Å; M270-V326 HydrophobicContact CE-CG2 3.98Å
271	V	98.6	Very high	98.1	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-46.6	174.3	177.1	0	0	0	0	110.9	V266 T267 N268 A269 N274 V275	V266-V271 HydrophobicContact CG1-CG2 3.91Å; T267-V271 PolarHBondContact O-N 2.71Å; T267-V271 VanDerWaalsContact O-N 3.15Å; N268-V271 PolarHBondContact O-N 2.94Å; A269-V271 VanDerWaalsContact C-N 3.33Å; A269-V271 PolarHBondContact O-N 3.24Å; V271-N274 PolarHBondContact O-N 3.07Å; V271-V275 HydrophobicContact CG1-CG2 4.14Å; V271-V275 WeakPolarHBondContact O-CB 3.37Å; V271-V275 VanDerWaalsContact O-CG2 3.28Å; V271-V275 WeakPolarHBondContact O-CG2 3.49Å; V271-V275 PolarHBondContact O-N 2.84Å
272	L	98.3	Very high	98.1	Very high	18 Å²	18	39.3 Å²	39.3	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-47.3	179.2	-77.4	171.7	0	0	0	112.5	N268 A269 N274 V275 L276 L332 A337 L341	N268-L272 WeakPolarHBondContact O-CB 3.2Å; N268-L272 VanDerWaalsContact O-CG 3.3Å; N268-L272 WeakPolarHBondContact O-CG 3.2Å; N268-L272 PolarHBondContact O-N 3.31Å; A269-L272 PolarHBondContact O-N 2.75Å; L272-N274 PolarHBondContact O-N 3.45Å; L272-V275 PolarHBondContact O-N 3.4Å; L272-L276 WeakPolarHBondContact O-CB 3.15Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.22Å; L272-L276 PolarHBondContact O-N 3.31Å; L272-L332 HydrophobicContact CD1-CD1 3.92Å; L272-A337 HydrophobicContact CD1-CB 3.94Å; L272-L341 HydrophobicContact CD2-CB 3.89Å; L272-L341 HydrophobicContact CD2-CD1 4.02Å; L272-L341 HydrophobicContact CD2-CG 4.39Å
273	V	98.7	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-49.3	176.6	171.2	0	0	0	0	110.4	A269 V275 L276 Q277 Q321 L325 A421	A269-V273 WeakPolarHBondContact O-CG2 3.31Å; A269-V273 PolarHBondContact O-N 3.49Å; V273-V275 PolarHBondContact O-N 3.19Å; V273-L276 PolarHBondContact O-N 2.82Å; V273-Q277 HydrophobicContact CG1-CG 4.39Å; V273-Q277 VanDerWaalsContact O-CB 3.31Å; V273-Q277 WeakPolarHBondContact O-CB 3.47Å; V273-Q277 WeakPolarHBondContact O-CG 3.35Å; V273-Q277 PolarHBondContact O-N 3.5Å; V273-Q321 HydrophobicContact CG1-CB 3.89Å; V273-Q321 HydrophobicContact CG2-CB 4.07Å; V273-L325 HydrophobicContact CB-CD1 4.44Å; V273-L325 HydrophobicContact CG2-CD1 3.81Å; V273-A421 HydrophobicContact CG2-CB 3.59Å
274	N	98.6	Very high	97.9	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-46.9	179.7	-87.3	-90.9	0	0	0	112.1	N252 M270 V271 L272 A278	N252-N274 VanDerWaalsContact C-OD1 3.32Å; N252-N274 WeakPolarHBondContact CB-OD1 3.27Å; N252-N274 PolarHBondContact O-OD1 3.41Å; M270-N274 WeakPolarHBondContact O-CB 3.35Å; M270-N274 PolarHBondContact O-N 2.88Å; M270-N274 PolarHBondContact O-ND2 3.48Å; M270-N274 PolarHBondContact SD-ND2 3.29Å; M270-N274 VanDerWaalsContact SD-ND2 3.43Å; V271-N274 PolarHBondContact O-N 3.07Å; L272-N274 PolarHBondContact O-N 3.45Å; N274-A278 WeakPolarHBondContact O-CB 3.37Å; N274-A278 PolarHBondContact O-N 3.29Å
275	V	98.4	Very high	98	Very high	68 Å²	68	29 Å²	29	41%	0.412	16%	0.155	S	C	.	.	H	α-helix	trans	-63.7	-49.3	-179.9	168.3	0	0	0	0	110.9	V271 L272 V273 A278 I279	V271-V275 HydrophobicContact CG1-CG2 4.14Å; V271-V275 WeakPolarHBondContact O-CB 3.37Å; V271-V275 VanDerWaalsContact O-CG2 3.28Å; V271-V275 WeakPolarHBondContact O-CG2 3.49Å; V271-V275 PolarHBondContact O-N 2.84Å; L272-V275 PolarHBondContact O-N 3.4Å; V273-V275 PolarHBondContact O-N 3.19Å; V275-A278 PolarHBondContact O-N 3.16Å; V275-I279 HydrophobicContact CG1-CD1 4Å; V275-I279 VanDerWaalsContact O-CG1 3.3Å; V275-I279 WeakPolarHBondContact O-CG1 2.86Å; V275-I279 PolarHBondContact O-N 3.38Å
276	L	98.6	Very high	97.9	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-68.6	-37.4	-176.3	-66.8	173.8	0	0	0	112.3	L272 V273 Y280 V340 L341 A417 Y418	L272-L276 WeakPolarHBondContact O-CB 3.15Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.22Å; L272-L276 PolarHBondContact O-N 3.31Å; V273-L276 PolarHBondContact O-N 2.82Å; L276-Y280 PolarHBondContact O-N 2.67Å; L276-V340 HydrophobicContact CD1-CG1 4.41Å; L276-L341 HydrophobicContact CD2-CD1 4.1Å; L276-A417 HydrophobicContact CD1-CB 4.04Å; L276-Y418 HydrophobicContact CB-CD1 3.93Å; L276-Y418 HydrophobicContact CB-CE1 3.6Å; L276-Y418 HydrophobicContact CD1-CD1 4.42Å
277	Q	98.5	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-72.4	-36.2	174	-68.7	-175.3	-16.9	0	0	111.6	W248 N252 V273 Y280 V281 Y318 Y418	W248-Q277 HydrophobicContact CZ2-CB 4.1Å; W248-Q277 HydrophobicContact CZ2-CG 3.78Å; W248-Q277 VanDerWaalsContact NE1-CD 3.33Å; N252-Q277 PolarHBondContact ND2-OE1 3.2Å; V273-Q277 HydrophobicContact CG1-CG 4.39Å; V273-Q277 VanDerWaalsContact O-CB 3.31Å; V273-Q277 WeakPolarHBondContact O-CB 3.47Å; V273-Q277 WeakPolarHBondContact O-CG 3.35Å; V273-Q277 PolarHBondContact O-N 3.5Å; Q277-Y280 WeakPolarHBondContact O-CB 3.28Å; Q277-Y280 PolarHBondContact O-N 3.39Å; Q277-V281 WeakPolarHBondContact O-CG2 3.26Å; Q277-V281 PolarHBondContact O-N 3.25Å; Q277-Y318 PolarHBondContact NE2-O 2.97Å; Q277-Y318 VanDerWaalsContact NE2-O 3.13Å; Q277-Y418 HydrophobicContact CG-CD1 4.02Å; Q277-Y418 HydrophobicContact CG-CD2 3.97Å; Q277-Y418 HydrophobicContact CG-CE1 3.93Å; Q277-Y418 HydrophobicContact CG-CE2 3.85Å; Q277-Y418 HydrophobicContact CG-CG 4.06Å
278	A	98.2	Very high	97.6	Very high	25 Å²	25	27.1 Å²	27.1	21%	0.207	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-40.2	173.9	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 3.37Å; N274-A278 PolarHBondContact O-N 3.29Å; V275-A278 PolarHBondContact O-N 3.16Å; A278-Y280 VanDerWaalsContact C-N 3.29Å; A278-Y280 PolarHBondContact O-N 3.24Å; A278-V281 PolarHBondContact O-N 3.28Å; A278-I282 HydrophobicContact CB-CD1 4.44Å; A278-I282 VanDerWaalsContact O-CB 3.3Å; A278-I282 WeakPolarHBondContact O-CB 3.47Å; A278-I282 WeakPolarHBondContact O-CD1 3.31Å; A278-I282 WeakPolarHBondContact O-CG1 3.29Å; A278-I282 PolarHBondContact O-N 3.12Å
279	I	98.2	Very high	97.4	Very high	48 Å²	48	25.9 Å²	25.9	25%	0.246	13%	0.134	C	C	.	.	H	α-helix	trans	-55.8	-47.6	172.7	-71.8	165.6	0	0	0	109.9	V275 D283 L345 Y348	V275-I279 HydrophobicContact CG1-CD1 4Å; V275-I279 VanDerWaalsContact O-CG1 3.3Å; V275-I279 WeakPolarHBondContact O-CG1 2.86Å; V275-I279 PolarHBondContact O-N 3.38Å; I279-D283 WeakPolarHBondContact O-CB 3.28Å; I279-D283 PolarHBondContact O-N 3.36Å; I279-L345 HydrophobicContact CD1-CD2 3.84Å; I279-Y348 HydrophobicContact CG2-CD1 3.95Å; I279-Y348 HydrophobicContact CG2-CD2 3.68Å; I279-Y348 HydrophobicContact CG2-CE1 3.98Å; I279-Y348 HydrophobicContact CG2-CE2 3.72Å; I279-Y348 HydrophobicContact CG2-CG 3.79Å
280	Y	97.1	Very high	97.1	Very high	53 Å²	53	28.3 Å²	28.3	21%	0.208	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-46.3	178.8	-171.4	-83.2	0	0	0	112.7	W248 L276 Q277 A278 D283 F284 D411	W248-Y280 HydrophobicContact CH2-CD1 4.15Å; W248-Y280 HydrophobicContact CH2-CE1 4.47Å; W248-Y280 AromaticContact CZ3-CD1 3.91Å; W248-Y280 HydrophobicContact CZ3-CD1 3.91Å; W248-Y280 HydrophobicContact CZ3-CE1 4.14Å; L276-Y280 PolarHBondContact O-N 2.67Å; Q277-Y280 WeakPolarHBondContact O-CB 3.28Å; Q277-Y280 PolarHBondContact O-N 3.39Å; A278-Y280 VanDerWaalsContact C-N 3.29Å; A278-Y280 PolarHBondContact O-N 3.24Å; Y280-D283 WeakPolarHBondContact O-CB 3.09Å; Y280-D283 PolarHBondContact O-N 3.41Å; Y280-F284 PolarHBondContact O-N 3.08Å; Y280-D411 VanDerWaalsContact CE2-OD1 3.29Å; Y280-D411 WeakPolarHBondContact CE2-OD1 3.36Å
281	V	97.7	Very high	96.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70	-43.6	-177.4	167.6	0	0	0	0	112.2	I245 W248 T249 Q277 A278 D283 F284 F285	I245-V281 HydrophobicContact CG2-CB 4.36Å; I245-V281 HydrophobicContact CG2-CG1 3.72Å; I245-V281 HydrophobicContact CG2-CG2 4.06Å; W248-V281 HydrophobicContact CD2-CG2 3.95Å; W248-V281 HydrophobicContact CE3-CG2 3.49Å; W248-V281 VanDerWaalsContact CE3-CG2 3.49Å; W248-V281 HydrophobicContact CG-CG2 4.44Å; W248-V281 HydrophobicContact CZ3-CG2 3.95Å; T249-V281 HydrophobicContact CG2-CB 3.79Å; T249-V281 HydrophobicContact CG2-CG1 3.89Å; T249-V281 HydrophobicContact CG2-CG2 3.9Å; Q277-V281 WeakPolarHBondContact O-CG2 3.26Å; Q277-V281 PolarHBondContact O-N 3.25Å; A278-V281 PolarHBondContact O-N 3.28Å; V281-D283 VanDerWaalsContact C-N 3.28Å; V281-D283 PolarHBondContact O-N 3.16Å; V281-F284 WeakPolarHBondContact O-CB 3.3Å; V281-F284 PolarHBondContact O-N 2.84Å; V281-F285 HydrophobicContact CG1-CD2 3.88Å; V281-F285 HydrophobicContact CG1-CE2 3.59Å; V281-F285 VanDerWaalsContact O-CD2 3.24Å; V281-F285 WeakPolarHBondContact O-CD2 3.3Å; V281-F285 PolarHBondContact O-N 2.97Å
282	I	97.5	Very high	96.6	Very high	62 Å²	62	25.8 Å²	25.8	32%	0.318	13%	0.126	S	C	.	.	H	α-helix	trans	-64	-39.8	175.6	-66.2	166.5	0	0	0	109.7	L148 W151 A278 F284 F285 W286	L148-I282 HydrophobicContact CD1-CG2 4.48Å; W151-I282 HydrophobicContact CE3-CG1 4.4Å; W151-I282 HydrophobicContact CH2-CD1 3.56Å; W151-I282 HydrophobicContact CH2-CG1 3.68Å; W151-I282 HydrophobicContact CZ2-CD1 3.97Å; W151-I282 HydrophobicContact CZ2-CG1 3.75Å; W151-I282 HydrophobicContact CZ3-CD1 4.11Å; W151-I282 HydrophobicContact CZ3-CG1 4Å; A278-I282 HydrophobicContact CB-CD1 4.44Å; A278-I282 VanDerWaalsContact O-CB 3.3Å; A278-I282 WeakPolarHBondContact O-CB 3.47Å; A278-I282 WeakPolarHBondContact O-CD1 3.31Å; A278-I282 WeakPolarHBondContact O-CG1 3.29Å; A278-I282 PolarHBondContact O-N 3.12Å; I282-F284 VanDerWaalsContact C-N 3.35Å; I282-F285 PolarHBondContact O-N 3.28Å; I282-W286 WeakPolarHBondContact O-CB 3.29Å; I282-W286 PolarHBondContact O-N 3.15Å
283	D	96.7	Very high	96.1	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-40.2	175.8	-175.6	58.9	0	0	0	112.3	I279 Y280 V281 W286 N287 Y348 R352	I279-D283 WeakPolarHBondContact O-CB 3.28Å; I279-D283 PolarHBondContact O-N 3.36Å; Y280-D283 WeakPolarHBondContact O-CB 3.09Å; Y280-D283 PolarHBondContact O-N 3.41Å; V281-D283 VanDerWaalsContact C-N 3.28Å; V281-D283 PolarHBondContact O-N 3.16Å; D283-W286 PolarHBondContact O-N 3.48Å; D283-N287 PolarHBondContact O-N 3.25Å; D283-N287 PolarHBondContact O-ND2 3.42Å; D283-N287 PolarHBondContact OD1-ND2 3.47Å; D283-Y348 HydrophobicContact CB-CE2 3.74Å; D283-Y348 VanDerWaalsContact CG-CE2 3.47Å; D283-Y348 PolarHBondContact OD1-OH 2.89Å; D283-R352 IonicContact OD1-CZ 3.89Å; D283-R352 IonicContact OD1-NE 2.87Å; D283-R352 PolarHBondContact OD1-NE 3.41Å; D283-R352 IonicContact OD1-NH1 3.45Å; D283-R352 IonicContact OD1-NH2 2.89Å; D283-R352 PolarHBondContact OD1-NH2 3.08Å; D283-R352 IonicContact OD2-CZ 3.3Å; D283-R352 VanDerWaalsContact OD2-CZ 3.24Å; D283-R352 IonicContact OD2-NE 3.25Å; D283-R352 PolarHBondContact OD2-NE 3.45Å; D283-R352 IonicContact OD2-NH2 2.99Å; D283-R352 PolarHBondContact OD2-NH2 3.18Å
284	F	96	Very high	95.6	Very high	34 Å²	34	33.4 Å²	33.4	15%	0.149	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-51	170.4	173	-89.5	0	0	0	111.2	I245 Y280 V281 I282 W286 N287 E288 Y291	I245-F284 HydrophobicContact CD1-CD1 3.9Å; I245-F284 HydrophobicContact CD1-CD2 4.03Å; I245-F284 HydrophobicContact CD1-CE1 3.59Å; I245-F284 HydrophobicContact CD1-CE2 3.7Å; I245-F284 HydrophobicContact CD1-CG 4.12Å; I245-F284 HydrophobicContact CD1-CZ 3.47Å; I245-F284 VanDerWaalsContact CD1-CZ 3.47Å; I245-F284 HydrophobicContact CG2-CD1 4.01Å; I245-F284 HydrophobicContact CG2-CE1 4.42Å; Y280-F284 PolarHBondContact O-N 3.08Å; V281-F284 WeakPolarHBondContact O-CB 3.3Å; V281-F284 PolarHBondContact O-N 2.84Å; I282-F284 VanDerWaalsContact C-N 3.35Å; F284-W286 PolarHBondContact O-N 2.8Å; F284-N287 CarbonylContact O-C 3.58Å; F284-N287 WeakPolarHBondContact O-CA 3.33Å; F284-N287 PolarHBondContact O-N 2.94Å; F284-E288 WeakPolarHBondContact O-CA 3.11Å; F284-E288 PolarHBondContact O-N 3.04Å; F284-Y291 HydrophobicContact CE2-CD1 4.45Å; F284-Y291 AromaticContact CE2-CD2 3.54Å; F284-Y291 HydrophobicContact CE2-CD2 3.54Å; F284-Y291 HydrophobicContact CE2-CE2 4.13Å; F284-Y291 AromaticContact CE2-CG 3.74Å; F284-Y291 HydrophobicContact CE2-CG 3.74Å; F284-Y291 HydrophobicContact CZ-CD1 4.2Å; F284-Y291 HydrophobicContact CZ-CD2 4.11Å; F284-Y291 AromaticContact CZ-CG 3.9Å; F284-Y291 HydrophobicContact CZ-CG 3.9Å
285	F	97.1	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.4	-32.2	-177.7	-72.7	-55.7	0	0	0	114.1	G147 L148 W151 G241 I245 V246 V281 I282 N287 E288	G147-F285 VanDerWaalsContact C-CD1 3.49Å; L148-F285 HydrophobicContact CB-CB 4Å; L148-F285 HydrophobicContact CD1-CB 4.07Å; W151-F285 HydrophobicContact CB-CD2 3.84Å; W151-F285 HydrophobicContact CB-CE2 3.94Å; W151-F285 HydrophobicContact CB-CG 4.45Å; W151-F285 AromaticContact CD1-CD2 3.78Å; W151-F285 AromaticContact CD1-CE2 3.46Å; W151-F285 VanDerWaalsContact CD1-CE2 3.46Å; W151-F285 AromaticContact CG-CD2 3.85Å; W151-F285 HydrophobicContact CG-CD2 3.85Å; W151-F285 AromaticContact CG-CE2 3.9Å; W151-F285 HydrophobicContact CG-CE2 3.9Å; G241-F285 WeakPolarHBondContact O-CZ 3.37Å; I245-F285 HydrophobicContact CB-CZ 4.09Å; I245-F285 HydrophobicContact CG2-CE2 3.69Å; I245-F285 HydrophobicContact CG2-CZ 3.64Å; V246-F285 HydrophobicContact CB-CZ 4.44Å; V246-F285 HydrophobicContact CG2-CE1 4.22Å; V246-F285 HydrophobicContact CG2-CE2 3.9Å; V246-F285 HydrophobicContact CG2-CZ 3.41Å; V246-F285 VanDerWaalsContact CG2-CZ 3.41Å; V281-F285 HydrophobicContact CG1-CD2 3.88Å; V281-F285 HydrophobicContact CG1-CE2 3.59Å; V281-F285 VanDerWaalsContact O-CD2 3.24Å; V281-F285 WeakPolarHBondContact O-CD2 3.3Å; V281-F285 PolarHBondContact O-N 2.97Å; I282-F285 PolarHBondContact O-N 3.28Å; F285-N287 PolarHBondContact O-N 3.09Å; F285-E288 PolarHBondContact O-N 2.86Å
286	W	96.2	Very high	94.6	Very high	91 Å²	91	31 Å²	31	35%	0.345	15%	0.146	S	C	.	.	H	α-helix	trans	-60.6	-28.7	170.3	-174.4	-82.2	0	0	0	111.4	L122 Y125 L148 I282 D283 F284	L122-W286 HydrophobicContact CB-CH2 4.28Å; L122-W286 HydrophobicContact CD1-CZ3 4.04Å; Y125-W286 HydrophobicContact CD2-CD2 4.15Å; Y125-W286 HydrophobicContact CD2-CE3 4.33Å; Y125-W286 HydrophobicContact CD2-CG 4.35Å; Y125-W286 VanDerWaalsContact CD2-O 3.26Å; Y125-W286 WeakPolarHBondContact CD2-O 3.41Å; Y125-W286 WeakPolarHBondContact CE2-O 3.48Å; L148-W286 HydrophobicContact CD2-CE3 3.96Å; L148-W286 HydrophobicContact CD2-CZ3 4.45Å; I282-W286 WeakPolarHBondContact O-CB 3.29Å; I282-W286 PolarHBondContact O-N 3.15Å; D283-W286 PolarHBondContact O-N 3.48Å; F284-W286 PolarHBondContact O-N 2.8Å
287	N	94.8	Very high	94.3	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.107	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	28.4	-176.6	-56	-95.1	0	0	0	112.6	D283 F284 F285 T289 W290 R352	D283-N287 PolarHBondContact O-N 3.25Å; D283-N287 PolarHBondContact O-ND2 3.42Å; D283-N287 PolarHBondContact OD1-ND2 3.47Å; F284-N287 CarbonylContact O-C 3.58Å; F284-N287 WeakPolarHBondContact O-CA 3.33Å; F284-N287 PolarHBondContact O-N 2.94Å; F285-N287 PolarHBondContact O-N 3.09Å; N287-T289 PolarHBondContact O-N 3.04Å; N287-T289 VanDerWaalsContact O-N 3.08Å; N287-W290 HydrophobicContact CB-CB 4.44Å; N287-W290 HydrophobicContact CB-CD2 3.89Å; N287-W290 HydrophobicContact CB-CE3 3.95Å; N287-W290 HydrophobicContact CB-CG 4.11Å; N287-W290 WeakPolarHBondContact O-CA 3.31Å; N287-W290 VanDerWaalsContact O-CB 3.27Å; N287-W290 WeakPolarHBondContact O-CB 3.34Å; N287-W290 PolarHBondContact O-N 2.95Å; N287-R352 VanDerWaalsContact CG-NH2 3.31Å; N287-R352 PolarHBondContact ND2-NH1 3.36Å; N287-R352 PolarHBondContact ND2-NH2 3.48Å; N287-R352 PolarHBondContact OD1-NH1 2.79Å
288	E	95.5	Very high	93.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-31.4	-176	-176.3	-179	-151.5	0	0	111.3	I145 G147 L237 R242 F284 F285 W290 Y291	I145-E288 HydrophobicContact CD1-CG 4.26Å; I145-E288 HydrophobicContact CG2-CB 3.8Å; I145-E288 HydrophobicContact CG2-CG 4.04Å; I145-E288 VanDerWaalsContact CG2-OE2 3.28Å; I145-E288 WeakPolarHBondContact CG2-OE2 3.28Å; G147-E288 VanDerWaalsContact CA-OE2 3.23Å; G147-E288 WeakPolarHBondContact CA-OE2 3.34Å; G147-E288 PolarHBondContact N-OE2 3.15Å; L237-E288 HydrophobicContact CD1-CG 4.33Å; R242-E288 IonicContact CZ-OE1 2.76Å; R242-E288 VanDerWaalsContact CZ-OE1 3.28Å; R242-E288 IonicContact NH1-OE1 2.77Å; R242-E288 PolarHBondContact NH1-OE1 3.26Å; R242-E288 IonicContact NH2-OE1 2.79Å; R242-E288 PolarHBondContact NH2-OE1 2.95Å; R242-E288 IonicContact NH2-OE2 2.7Å; F284-E288 WeakPolarHBondContact O-CA 3.11Å; F284-E288 PolarHBondContact O-N 3.04Å; F285-E288 PolarHBondContact O-N 2.86Å; E288-W290 PolarHBondContact O-N 2.83Å; E288-Y291 WeakPolarHBondContact O-CA 3.39Å; E288-Y291 WeakPolarHBondContact O-CB 3.41Å; E288-Y291 PolarHBondContact O-N 3Å
289	T	93.9	Very high	93.2	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-29	172.4	-61	0	0	0	0	113.7	V126 Q130 N287 Y291 L292	V126-T289 HydrophobicContact CG1-CG2 4.15Å; V126-T289 PolarHBondContact O-OG1 3.35Å; Q130-T289 HydrophobicContact CB-CG2 4.24Å; Q130-T289 HydrophobicContact CG-CG2 4.04Å; N287-T289 PolarHBondContact O-N 3.04Å; N287-T289 VanDerWaalsContact O-N 3.08Å; T289-Y291 VanDerWaalsContact C-N 3.31Å; T289-L292 WeakPolarHBondContact O-CB 3.45Å
290	W	91.9	Very high	92.9	Very high	51 Å²	51	30 Å²	30	19%	0.193	14%	0.138	C	C	.	.	H	α-helix	trans	-71.4	-29.7	173.6	-63.9	3.4	0	0	0	111.6	N287 E288 L292 K293 N355 H356 D359	N287-W290 HydrophobicContact CB-CB 4.44Å; N287-W290 HydrophobicContact CB-CD2 3.89Å; N287-W290 HydrophobicContact CB-CE3 3.95Å; N287-W290 HydrophobicContact CB-CG 4.11Å; N287-W290 WeakPolarHBondContact O-CA 3.31Å; N287-W290 VanDerWaalsContact O-CB 3.27Å; N287-W290 WeakPolarHBondContact O-CB 3.34Å; N287-W290 PolarHBondContact O-N 2.95Å; E288-W290 PolarHBondContact O-N 2.83Å; W290-L292 PolarHBondContact O-N 3.31Å; W290-K293 PolarHBondContact O-N 3.49Å; W290-N355 HydrophobicContact CE3-CB 4.39Å; W290-N355 HydrophobicContact CZ3-CB 3.82Å; W290-H356 HydrophobicContact CH2-CB 4.38Å; W290-D359 HydrophobicContact CZ2-CB 4.07Å
291	Y	92.2	Very high	92.7	Very high	21 Å²	21	27.7 Å²	27.7	8%	0.082	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-32.8	177.3	-170	-108.7	0	0	0	111.8	L237 N240 F284 E288 T289 K293 T294 D296 I297	L237-Y291 HydrophobicContact CD1-CD1 4.03Å; N240-Y291 HydrophobicContact CB-CE1 4.26Å; N240-Y291 VanDerWaalsContact CG-OH 3.25Å; N240-Y291 PolarHBondContact ND2-OH 2.86Å; N240-Y291 VanDerWaalsContact OD1-CZ 3.26Å; N240-Y291 PolarHBondContact OD1-OH 3.08Å; F284-Y291 HydrophobicContact CE2-CD1 4.45Å; F284-Y291 AromaticContact CE2-CD2 3.54Å; F284-Y291 HydrophobicContact CE2-CD2 3.54Å; F284-Y291 HydrophobicContact CE2-CE2 4.13Å; F284-Y291 AromaticContact CE2-CG 3.74Å; F284-Y291 HydrophobicContact CE2-CG 3.74Å; F284-Y291 HydrophobicContact CZ-CD1 4.2Å; F284-Y291 HydrophobicContact CZ-CD2 4.11Å; F284-Y291 AromaticContact CZ-CG 3.9Å; F284-Y291 HydrophobicContact CZ-CG 3.9Å; E288-Y291 WeakPolarHBondContact O-CA 3.39Å; E288-Y291 WeakPolarHBondContact O-CB 3.41Å; E288-Y291 PolarHBondContact O-N 3Å; T289-Y291 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 2.84Å; Y291-T294 HydrophobicContact CD2-CG2 3.73Å; Y291-T294 HydrophobicContact CE2-CG2 4.22Å; Y291-T294 HydrophobicContact CG-CG2 4.41Å; Y291-T294 WeakPolarHBondContact O-CB 3.31Å; Y291-T294 WeakPolarHBondContact O-CG2 3.28Å; Y291-T294 PolarHBondContact O-N 3.35Å; Y291-T294 PolarHBondContact O-OG1 3.31Å; Y291-D296 WeakPolarHBondContact OH-CB 3.49Å; Y291-D296 PolarHBondContact OH-OD2 3.49Å; Y291-I297 HydrophobicContact CD1-CD1 4.31Å; Y291-I297 HydrophobicContact CD1-CG1 3.9Å; Y291-I297 HydrophobicContact CE1-CD1 3.9Å; Y291-I297 HydrophobicContact CE1-CG1 3.74Å
292	L	93.9	Very high	92.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.6	173.7	-58.5	-174.8	0	0	0	114.5	Q130 Y143 I145 L237 T289 W290 C298	Q130-L292 HydrophobicContact CB-CD1 4.12Å; Y143-L292 HydrophobicContact CD1-CD2 3.86Å; Y143-L292 HydrophobicContact CD2-CD1 3.87Å; Y143-L292 HydrophobicContact CD2-CD2 3.84Å; Y143-L292 HydrophobicContact CD2-CG 4.47Å; Y143-L292 HydrophobicContact CE1-CD2 4.1Å; Y143-L292 HydrophobicContact CE2-CD2 4.14Å; Y143-L292 HydrophobicContact CG-CD1 4.14Å; Y143-L292 HydrophobicContact CG-CD2 3.69Å; I145-L292 HydrophobicContact CD1-CD1 4.01Å; I145-L292 HydrophobicContact CD1-CD2 4.18Å; I145-L292 HydrophobicContact CD1-CG 4.21Å; I145-L292 HydrophobicContact CG1-CD1 4.46Å; L237-L292 HydrophobicContact CD1-CD2 4.3Å; L237-L292 HydrophobicContact CD2-CD2 4.17Å; T289-L292 WeakPolarHBondContact O-CB 3.45Å; W290-L292 PolarHBondContact O-N 3.31Å; L292-C298 PolarHBondContact O-SG 3.31Å
293	K	89.2	Confident	92.6	Very high	131 Å²	131	24.9 Å²	24.9	57%	0.57	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	5.2	180	-59.3	179.5	-176.5	176.3	0	113	W290 Y291 C298	W290-K293 PolarHBondContact O-N 3.49Å; Y291-K293 PolarHBondContact O-N 2.84Å; K293-C298 VanDerWaalsContact C-SG 3.58Å; K293-C298 VanDerWaalsContact CA-SG 3.52Å
294	T	88.6	Confident	92.6	Very high	46 Å²	46	24.6 Å²	24.6	28%	0.282	11%	0.113	S	C	.	.	S	Bend	trans	-80.8	168.5	-179.5	63.2	0	0	0	0	112	Y291 D296 C298	Y291-T294 HydrophobicContact CD2-CG2 3.73Å; Y291-T294 HydrophobicContact CE2-CG2 4.22Å; Y291-T294 HydrophobicContact CG-CG2 4.41Å; Y291-T294 WeakPolarHBondContact O-CB 3.31Å; Y291-T294 WeakPolarHBondContact O-CG2 3.28Å; Y291-T294 PolarHBondContact O-N 3.35Å; Y291-T294 PolarHBondContact O-OG1 3.31Å; T294-D296 VanDerWaalsContact C-N 3.27Å; T294-D296 PolarHBondContact O-N 2.91Å; T294-C298 WeakPolarHBondContact O-CB 3.24Å; T294-C298 PolarHBondContact O-N 3.24Å; T294-C298 PolarHBondContact O-SG 3.4Å; T294-C298 VanDerWaalsContact O-SG 3.38Å
295	I	86.3	Confident	92.6	Very high	20 Å²	20	27.2 Å²	27.2	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-37.1	-179.3	-59.2	172.5	0	0	0	111.2	I297 C298 H299 D300 R443 R446	I295-I297 PolarHBondContact O-N 2.94Å; I295-C298 PolarHBondContact O-N 3.41Å; I295-H299 HydrophobicContact CG2-CB 3.91Å; I295-H299 WeakPolarHBondContact O-CA 3.37Å; I295-H299 PolarHBondContact O-N 3.33Å; I295-D300 PolarHBondContact O-N 2.94Å; I295-R443 HydrophobicContact CD1-CG 4.34Å; I295-R446 VanDerWaalsContact CG2-NH2 3.3Å
296	D	88.8	Confident	92.5	Very high	18 Å²	18	27.8 Å²	27.8	10%	0.096	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-44.5	-176.5	-47.2	-8.3	0	0	0	110.9	K236 Y291 T294 R443	K236-D296 VanDerWaalsContact CD-O 3.3Å; K236-D296 WeakPolarHBondContact CD-O 3.43Å; K236-D296 VanDerWaalsContact CE-O 3.31Å; K236-D296 WeakPolarHBondContact CE-O 3.39Å; K236-D296 PolarHBondContact NZ-O 3.15Å; Y291-D296 WeakPolarHBondContact OH-CB 3.49Å; Y291-D296 PolarHBondContact OH-OD2 3.49Å; T294-D296 VanDerWaalsContact C-N 3.27Å; T294-D296 PolarHBondContact O-N 2.91Å; D296-R443 IonicContact OD1-NH2 3.08Å; D296-R443 PolarHBondContact OD1-NH2 3.04Å; D296-R443 VanDerWaalsContact OD1-NH2 3.15Å; D296-R443 IonicContact OD2-NH2 3.9Å
297	I	91.3	Very high	92.5	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-78.6	-44.6	175.4	-59.6	-64.2	0	0	0	111.7	F225 N226 K236 Y291 I295	F225-I297 WeakPolarHBondContact CZ-O 3.28Å; N226-I297 PolarHBondContact OD1-O 3.36Å; K236-I297 HydrophobicContact CB-CD1 3.55Å; K236-I297 HydrophobicContact CD-CD1 4.07Å; K236-I297 PolarHBondContact NZ-O 3.21Å; Y291-I297 HydrophobicContact CD1-CD1 4.31Å; Y291-I297 HydrophobicContact CD1-CG1 3.9Å; Y291-I297 HydrophobicContact CE1-CD1 3.9Å; Y291-I297 HydrophobicContact CE1-CG1 3.74Å; I295-I297 PolarHBondContact O-N 2.94Å
298	C	89.3	Confident	92.6	Very high	11 Å²	11	22.8 Å²	22.8	7%	0.074	11%	0.105	C	C	.	.	H	α-helix	trans	-91	-6.8	-167.6	-64	0	0	0	0	115.5	W29 A133 L292 K293 T294 I295	W29-C298 WeakPolarHBondContact CH2-O 3.38Å; W29-C298 WeakPolarHBondContact CZ2-O 3.19Å; A133-C298 HydrophobicContact CB-CB 4.31Å; A133-C298 WeakPolarHBondContact CB-SG 3.48Å; L292-C298 PolarHBondContact O-SG 3.31Å; K293-C298 VanDerWaalsContact C-SG 3.58Å; K293-C298 VanDerWaalsContact CA-SG 3.52Å; T294-C298 WeakPolarHBondContact O-CB 3.24Å; T294-C298 PolarHBondContact O-N 3.24Å; T294-C298 PolarHBondContact O-SG 3.4Å; T294-C298 VanDerWaalsContact O-SG 3.38Å; I295-C298 PolarHBondContact O-N 3.41Å
299	H	86	Confident	92.7	Very high	37 Å²	37	23.5 Å²	23.5	17%	0.171	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.2	-37	-174.7	-66.6	-66.6	0	0	0	114.8	W29 G30 I295 R450	W29-H299 AromaticContact CD2-ND1 3.85Å; W29-H299 AromaticContact CE2-CE1 3.64Å; W29-H299 AromaticContact CE2-ND1 3.35Å; W29-H299 VanDerWaalsContact CE2-ND1 3.35Å; W29-H299 AromaticContact CZ2-CE1 3.78Å; W29-H299 AromaticContact CZ2-ND1 3.53Å; W29-H299 AromaticContact NE1-CE1 3.54Å; W29-H299 AromaticContact NE1-ND1 3.61Å; G30-H299 WeakPolarHBondContact CA-O 3.27Å; I295-H299 HydrophobicContact CG2-CB 3.91Å; I295-H299 WeakPolarHBondContact O-CA 3.37Å; I295-H299 PolarHBondContact O-N 3.33Å; H299-R450 PolarHBondContact CD2-NH1 2.94Å; H299-R450 PolarHBondContact NE2-NH1 3.47Å
300	D	90.4	Very high	92.8	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.043	11%	0.112	C	C	.	.			trans	-76.5	147.9	179.8	-68.6	-23.4	0	0	0	109.9	F225 K236 I295 L306 R446	F225-D300 WeakPolarHBondContact CD2-O 3.2Å; F225-D300 WeakPolarHBondContact CE2-O 3.41Å; K236-D300 VanDerWaalsContact CE-O 3.27Å; K236-D300 WeakPolarHBondContact CE-O 3.3Å; K236-D300 PolarHBondContact NZ-O 2.92Å; I295-D300 PolarHBondContact O-N 2.94Å; D300-L306 HydrophobicContact CB-CD1 4.49Å; D300-R446 IonicContact OD1-NH1 2.86Å; D300-R446 PolarHBondContact OD1-NH1 3.4Å; D300-R446 IonicContact OD2-CZ 2.7Å; D300-R446 IonicContact OD2-NH1 3.4Å; D300-R446 PolarHBondContact OD2-NH1 3.44Å; D300-R446 IonicContact OD2-NH2 2.61Å; D300-R446 PolarHBondContact OD2-NH2 2.87Å
301	H	94.3	Very high	93	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.023	10%	0.103	C	C	.	.			trans	-89.4	157.7	172.9	-76.3	63.8	0	0	0	109.4	D208 M221 G222 I223 F225 G303	D208-H301 PolarHBondContact O-NE2 3.27Å; M221-H301 CarbonylContact O-C 3.44Å; M221-H301 WeakPolarHBondContact O-CB 3.3Å; M221-H301 VanDerWaalsContact O-O 3.1Å; G222-H301 WeakPolarHBondContact O-CB 3.35Å; I223-H301 PolarHBondContact O-CD2 3.14Å; F225-H301 WeakPolarHBondContact CA-CD2 3.11Å; F225-H301 AromaticContact CD2-CE1 3.8Å; F225-H301 AromaticContact CD2-ND1 3.89Å; F225-H301 PolarHBondContact N-CD2 3.39Å; F225-H301 VanDerWaalsContact N-CD2 3.28Å; H301-G303 PolarHBondContact O-N 3.22Å
302	F	95.7	Very high	93.3	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	10%	0.099	C	C	.	.			trans	-90.1	103.3	-179	-171.4	-99.9	0	0	0	110.9	V191 A195 G222 E224 P227 F235 K236 F239 L306	V191-F302 HydrophobicContact CG1-CZ 4.48Å; V191-F302 HydrophobicContact CG2-CE1 3.97Å; V191-F302 HydrophobicContact CG2-CZ 4.22Å; A195-F302 HydrophobicContact CB-CD1 3.74Å; A195-F302 HydrophobicContact CB-CE1 4.15Å; G222-F302 WeakPolarHBondContact CA-O 3.45Å; E224-F302 PolarHBondContact O-N 3.45Å; E224-F302 VanDerWaalsContact O-N 3.16Å; P227-F302 VanDerWaalsContact CD-CB 3.5Å; P227-F302 HydrophobicContact CG-CB 3.6Å; P227-F302 HydrophobicContact CG-CD1 3.63Å; P227-F302 HydrophobicContact CG-CG 3.9Å; F235-F302 HydrophobicContact CB-CD1 4.05Å; F235-F302 HydrophobicContact CB-CE1 3.85Å; F235-F302 HydrophobicContact CB-CE2 4.41Å; F235-F302 HydrophobicContact CB-CG 4.42Å; F235-F302 HydrophobicContact CB-CZ 4.02Å; F235-F302 AromaticContact CD1-CE1 3.97Å; F235-F302 HydrophobicContact CD1-CE1 3.97Å; F235-F302 HydrophobicContact CD1-CZ 4.43Å; F235-F302 HydrophobicContact CG-CE1 4.32Å; K236-F302 HydrophobicContact CB-CD2 4.45Å; K236-F302 HydrophobicContact CG-CB 3.98Å; K236-F302 HydrophobicContact CG-CD2 3.64Å; K236-F302 HydrophobicContact CG-CE2 4.5Å; K236-F302 HydrophobicContact CG-CG 4.13Å; F239-F302 HydrophobicContact CB-CZ 4.48Å; F239-F302 AromaticContact CD2-CZ 3.98Å; F239-F302 HydrophobicContact CD2-CZ 3.98Å; F239-F302 HydrophobicContact CG-CZ 4.34Å; F302-L306 HydrophobicContact CD2-CB 3.6Å; F302-L306 HydrophobicContact CD2-CD1 4.06Å; F302-L306 HydrophobicContact CD2-CG 4.48Å; F302-L306 HydrophobicContact CE2-CB 3.8Å
303	G	96.6	Very high	93.5	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	-125.4	-158.8	174.8	0	0	0	0	0	112.4	S192 Y219 M220 G222 H301 Y305 L306 G307	S192-G303 PolarHBondContact OG-O 3.15Å; Y219-G303 WeakPolarHBondContact O-CA 3.46Å; M220-G303 CarbonylContact O-C 3.57Å; G222-G303 VanDerWaalsContact CA-CA 3.43Å; H301-G303 PolarHBondContact O-N 3.22Å; G303-Y305 VanDerWaalsContact C-N 3.26Å; G303-Y305 PolarHBondContact O-N 2.91Å; G303-L306 PolarHBondContact O-N 2.88Å; G303-G307 PolarHBondContact O-N 3.05Å
304	W	97.6	Very high	93.8	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.015	8%	0.081	C	C	.	.	H	α-helix	trans	-58	-36.5	174	-174	92.1	0	0	0	113.2	L47 A50 P51 Y189 S192 Y219 M220 L306 G307 W308	L47-W304 HydrophobicContact CD2-CB 4.17Å; L47-W304 HydrophobicContact CD2-CD2 3.53Å; L47-W304 HydrophobicContact CD2-CE3 3.7Å; L47-W304 HydrophobicContact CD2-CG 3.78Å; L47-W304 HydrophobicContact CD2-CZ3 4.26Å; A50-W304 HydrophobicContact CB-CH2 4Å; P51-W304 HydrophobicContact CG-CZ2 4.12Å; Y189-W304 AromaticContact CD1-CD1 3.89Å; Y189-W304 AromaticContact CD1-NE1 3.62Å; Y189-W304 AromaticContact CE1-CD1 3.88Å; Y189-W304 AromaticContact CE1-NE1 3.27Å; Y189-W304 VanDerWaalsContact CE1-NE1 3.27Å; Y189-W304 AromaticContact CE2-NE1 3.73Å; Y189-W304 AromaticContact CG-NE1 3.98Å; Y189-W304 AromaticContact CZ-CE2 3.98Å; Y189-W304 AromaticContact CZ-NE1 3.32Å; Y189-W304 VanDerWaalsContact CZ-NE1 3.32Å; S192-W304 WeakPolarHBondContact OG-CA 3.17Å; S192-W304 PolarHBondContact OG-N 2.87Å; Y219-W304 HydrophobicContact CD1-CB 3.93Å; Y219-W304 HydrophobicContact CD1-CG 4.4Å; Y219-W304 HydrophobicContact CE1-CB 3.68Å; Y219-W304 AromaticContact CE1-CD1 3.63Å; Y219-W304 AromaticContact CE1-CG 3.79Å; Y219-W304 HydrophobicContact CE1-CG 3.79Å; Y219-W304 PolarHBondContact O-N 2.89Å; M220-W304 HydrophobicContact CE-CE3 4.02Å; M220-W304 HydrophobicContact CE-CZ3 3.96Å; M220-W304 PolarHBondContact O-N 2.81Å; M220-W304 VanDerWaalsContact O-N 3.11Å; M220-W304 HydrophobicContact SD-CD2 4.31Å; M220-W304 HydrophobicContact SD-CE3 3.29Å; M220-W304 HydrophobicContact SD-CZ3 3.73Å; W304-L306 PolarHBondContact O-N 2.99Å; W304-G307 PolarHBondContact O-N 2.85Å; W304-W308 HydrophobicContact CD2-CB 3.79Å; W304-W308 HydrophobicContact CD2-CG 4.25Å; W304-W308 AromaticContact CE2-CD1 3.95Å; W304-W308 AromaticContact CE2-CD2 3.92Å; W304-W308 AromaticContact CE2-CG 3.5Å; W304-W308 VanDerWaalsContact CE2-CG 3.5Å; W304-W308 HydrophobicContact CE3-CB 4.39Å; W304-W308 HydrophobicContact CG-CB 4.06Å; W304-W308 AromaticContact CH2-CD2 3.65Å; W304-W308 HydrophobicContact CH2-CD2 3.65Å; W304-W308 AromaticContact CH2-CE3 3.44Å; W304-W308 HydrophobicContact CH2-CE3 3.44Å; W304-W308 VanDerWaalsContact CH2-CE3 3.44Å; W304-W308 HydrophobicContact CH2-CG 4.14Å; W304-W308 HydrophobicContact CH2-CH2 4.5Å; W304-W308 AromaticContact CH2-CZ3 3.89Å; W304-W308 HydrophobicContact CH2-CZ3 3.89Å; W304-W308 HydrophobicContact CZ2-CB 3.94Å; W304-W308 AromaticContact CZ2-CD1 3.87Å; W304-W308 AromaticContact CZ2-CD2 3.36Å; W304-W308 HydrophobicContact CZ2-CD2 3.36Å; W304-W308 AromaticContact CZ2-CE2 3.82Å; W304-W308 AromaticContact CZ2-CE3 3.7Å; W304-W308 HydrophobicContact CZ2-CE3 3.7Å; W304-W308 AromaticContact CZ2-CG 3.45Å; W304-W308 HydrophobicContact CZ2-CG 3.45Å; W304-W308 VanDerWaalsContact CZ2-CG 3.45Å; W304-W308 HydrophobicContact CZ2-CZ3 4.4Å; W304-W308 HydrophobicContact CZ3-CD2 4.43Å; W304-W308 AromaticContact CZ3-CE3 3.97Å; W304-W308 HydrophobicContact CZ3-CE3 3.97Å; W304-W308 AromaticContact NE1-CD1 3.77Å; W304-W308 AromaticContact NE1-CG 3.64Å; W304-W308 VanDerWaalsContact O-CB 3.23Å; W304-W308 WeakPolarHBondContact O-CB 3.44Å; W304-W308 PolarHBondContact O-N 3.46Å
305	Y	95	Very high	94.2	Very high	89 Å²	89	14.2 Å²	14.2	35%	0.349	7%	0.069	S	C	.	.	H	α-helix	trans	-54.1	-49.7	177.9	177.2	-105.4	0	0	0	112.9	M220 G303 G309	M220-Y305 HydrophobicContact CE-CD2 3.85Å; M220-Y305 HydrophobicContact CE-CG 4.39Å; M220-Y305 WeakPolarHBondContact O-CB 3.31Å; M220-Y305 PolarHBondContact O-N 3.27Å; G303-Y305 VanDerWaalsContact C-N 3.26Å; G303-Y305 PolarHBondContact O-N 2.91Å; Y305-G309 WeakPolarHBondContact O-CA 3.45Å; Y305-G309 PolarHBondContact O-N 3.12Å
306	L	94.8	Very high	94.8	Very high	12 Å²	12	13.6 Å²	13.6	6%	0.063	7%	0.066	C	C	.	.	H	α-helix	trans	-80	-48.1	177.6	-67.3	-179.4	0	0	0	111.4	K236 D300 F302 G303 W304 W308 G309 D310	K236-L306 HydrophobicContact CD-CD1 4.33Å; K236-L306 HydrophobicContact CG-CD1 4.32Å; D300-L306 HydrophobicContact CB-CD1 4.49Å; F302-L306 HydrophobicContact CD2-CB 3.6Å; F302-L306 HydrophobicContact CD2-CD1 4.06Å; F302-L306 HydrophobicContact CD2-CG 4.48Å; F302-L306 HydrophobicContact CE2-CB 3.8Å; G303-L306 PolarHBondContact O-N 2.88Å; W304-L306 PolarHBondContact O-N 2.99Å; L306-W308 PolarHBondContact O-N 2.82Å; L306-G309 PolarHBondContact O-N 2.92Å; L306-D310 WeakPolarHBondContact O-CB 3.22Å; L306-D310 VanDerWaalsContact O-CG 3.29Å; L306-D310 PolarHBondContact O-N 3.02Å
307	G	96.4	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-50.1	-176	0	0	0	0	0	113.6	G303 W304 C311	G303-G307 PolarHBondContact O-N 3.05Å; W304-G307 PolarHBondContact O-N 2.85Å; G307-C311 WeakPolarHBondContact O-CB 3.5Å; G307-C311 PolarHBondContact O-N 3.23Å; G307-C311 PolarHBondContact O-SG 2.89Å
308	W	97.8	Very high	95.5	Very high	6 Å²	6	14 Å²	14	2%	0.023	7%	0.066	C	C	.	.	H	α-helix	trans	-76.2	-36.7	176.8	-178.3	91.9	0	0	0	112.1	A50 P51 V54 N185 Y189 W304 L306 D310 C311 V312 W313	A50-W308 HydrophobicContact CB-CH2 3.91Å; A50-W308 HydrophobicContact CB-CZ3 3.97Å; P51-W308 HydrophobicContact CB-CZ2 4.21Å; P51-W308 HydrophobicContact CG-CZ2 4.06Å; V54-W308 HydrophobicContact CG2-CH2 3.64Å; V54-W308 HydrophobicContact CG2-CZ2 4Å; N185-W308 PolarHBondContact OD1-NE1 3.34Å; Y189-W308 AromaticContact CE2-CD1 3.96Å; W304-W308 HydrophobicContact CD2-CB 3.79Å; W304-W308 HydrophobicContact CD2-CG 4.25Å; W304-W308 AromaticContact CE2-CD1 3.95Å; W304-W308 AromaticContact CE2-CD2 3.92Å; W304-W308 AromaticContact CE2-CG 3.5Å; W304-W308 VanDerWaalsContact CE2-CG 3.5Å; W304-W308 HydrophobicContact CE3-CB 4.39Å; W304-W308 HydrophobicContact CG-CB 4.06Å; W304-W308 AromaticContact CH2-CD2 3.65Å; W304-W308 HydrophobicContact CH2-CD2 3.65Å; W304-W308 AromaticContact CH2-CE3 3.44Å; W304-W308 HydrophobicContact CH2-CE3 3.44Å; W304-W308 VanDerWaalsContact CH2-CE3 3.44Å; W304-W308 HydrophobicContact CH2-CG 4.14Å; W304-W308 HydrophobicContact CH2-CH2 4.5Å; W304-W308 AromaticContact CH2-CZ3 3.89Å; W304-W308 HydrophobicContact CH2-CZ3 3.89Å; W304-W308 HydrophobicContact CZ2-CB 3.94Å; W304-W308 AromaticContact CZ2-CD1 3.87Å; W304-W308 AromaticContact CZ2-CD2 3.36Å; W304-W308 HydrophobicContact CZ2-CD2 3.36Å; W304-W308 AromaticContact CZ2-CE2 3.82Å; W304-W308 AromaticContact CZ2-CE3 3.7Å; W304-W308 HydrophobicContact CZ2-CE3 3.7Å; W304-W308 AromaticContact CZ2-CG 3.45Å; W304-W308 HydrophobicContact CZ2-CG 3.45Å; W304-W308 VanDerWaalsContact CZ2-CG 3.45Å; W304-W308 HydrophobicContact CZ2-CZ3 4.4Å; W304-W308 HydrophobicContact CZ3-CD2 4.43Å; W304-W308 AromaticContact CZ3-CE3 3.97Å; W304-W308 HydrophobicContact CZ3-CE3 3.97Å; W304-W308 AromaticContact NE1-CD1 3.77Å; W304-W308 AromaticContact NE1-CG 3.64Å; W304-W308 VanDerWaalsContact O-CB 3.23Å; W304-W308 WeakPolarHBondContact O-CB 3.44Å; W304-W308 PolarHBondContact O-N 3.46Å; L306-W308 PolarHBondContact O-N 2.82Å; W308-D310 PolarHBondContact O-N 2.7Å; W308-C311 PolarHBondContact O-N 3.1Å; W308-V312 HydrophobicContact CD2-CB 4.1Å; W308-V312 HydrophobicContact CD2-CG2 4.39Å; W308-V312 HydrophobicContact CG-CB 4.43Å; W308-V312 HydrophobicContact CG-CG2 4.25Å; W308-V312 HydrophobicContact CH2-CG1 4.33Å; W308-V312 HydrophobicContact CZ2-CB 3.85Å; W308-V312 HydrophobicContact CZ2-CG1 3.57Å; W308-V312 WeakPolarHBondContact O-CB 3.29Å; W308-V312 PolarHBondContact O-N 3.23Å; W308-W313 HydrophobicContact CE3-CB 4.48Å; W308-W313 HydrophobicContact CH2-CB 4.49Å; W308-W313 AromaticContact CH2-CE3 3.94Å; W308-W313 HydrophobicContact CH2-CE3 3.94Å; W308-W313 HydrophobicContact CZ3-CB 3.96Å; W308-W313 AromaticContact CZ3-CE3 3.81Å; W308-W313 HydrophobicContact CZ3-CE3 3.81Å
309	G	96.5	Very high	96	Very high	14 Å²	14	13.4 Å²	13.4	14%	0.144	6%	0.063	C	C	.	.	I	π-helix	trans	-57.8	-46.5	177	0	0	0	0	0	112.8	Y305 L306 W313 L314	Y305-G309 WeakPolarHBondContact O-CA 3.45Å; Y305-G309 PolarHBondContact O-N 3.12Å; L306-G309 PolarHBondContact O-N 2.92Å; G309-W313 WeakPolarHBondContact O-CB 3.39Å; G309-W313 PolarHBondContact O-N 3Å; G309-W313 VanDerWaalsContact O-N 3.14Å; G309-L314 PolarHBondContact O-N 3.3Å
310	D	96.4	Very high	96.6	Very high	12 Å²	12	11.7 Å²	11.7	6%	0.064	5%	0.054	C	C	.	.	I	π-helix	trans	-72.1	-32.6	179	-69.7	-36.7	0	0	0	112.7	F239 N240 G244 L306 W308 P315	F239-D310 HydrophobicContact CB-CB 4.06Å; N240-D310 VanDerWaalsContact CA-CG 3.42Å; N240-D310 WeakPolarHBondContact CA-OD1 3.17Å; N240-D310 WeakPolarHBondContact CA-OD2 3.37Å; N240-D310 PolarHBondContact N-OD2 3.33Å; N240-D310 PolarHBondContact ND2-OD1 3.04Å; G244-D310 WeakPolarHBondContact CA-O 3.11Å; L306-D310 WeakPolarHBondContact O-CB 3.22Å; L306-D310 VanDerWaalsContact O-CG 3.29Å; L306-D310 PolarHBondContact O-N 3.02Å; W308-D310 PolarHBondContact O-N 2.7Å; D310-P315 WeakPolarHBondContact O-CD 3.07Å
311	C	97	Very high	96.9	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.014	5%	0.052	C	C	.	.	I	π-helix	trans	-79.6	-36.8	-180	-68.7	0	0	0	0	113.7	F239 G307 W308	F239-C311 WeakPolarHBondContact CD1-SG 3.33Å; F239-C311 VanDerWaalsContact CE1-SG 3.55Å; G307-C311 WeakPolarHBondContact O-CB 3.5Å; G307-C311 PolarHBondContact O-N 3.23Å; G307-C311 PolarHBondContact O-SG 2.89Å; W308-C311 PolarHBondContact O-N 3.1Å
312	V	97.9	Very high	97.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-121.4	-57.7	-166.6	-173.8	0	0	0	0	111.3	V54 L181 A184 W308 L314 Y316	V54-V312 HydrophobicContact CB-CG1 4.37Å; V54-V312 HydrophobicContact CG1-CG1 4Å; V54-V312 HydrophobicContact CG2-CG1 4.21Å; L181-V312 HydrophobicContact CD1-CG1 3.83Å; A184-V312 VanDerWaalsContact C-CG2 3.45Å; A184-V312 HydrophobicContact CB-CG2 3.95Å; A184-V312 WeakPolarHBondContact O-CG2 3.18Å; W308-V312 HydrophobicContact CD2-CB 4.1Å; W308-V312 HydrophobicContact CD2-CG2 4.39Å; W308-V312 HydrophobicContact CG-CB 4.43Å; W308-V312 HydrophobicContact CG-CG2 4.25Å; W308-V312 HydrophobicContact CH2-CG1 4.33Å; W308-V312 HydrophobicContact CZ2-CB 3.85Å; W308-V312 HydrophobicContact CZ2-CG1 3.57Å; W308-V312 WeakPolarHBondContact O-CB 3.29Å; W308-V312 PolarHBondContact O-N 3.23Å; V312-L314 PolarHBondContact O-N 3.05Å; V312-Y316 HydrophobicContact CG1-CD2 4.37Å; V312-Y316 WeakPolarHBondContact O-CB 3.42Å; V312-Y316 VanDerWaalsContact O-CD2 3.24Å; V312-Y316 WeakPolarHBondContact O-CD2 3.35Å; V312-Y316 PolarHBondContact O-N 3.27Å
313	W	97.6	Very high	97.3	Very high	36 Å²	36	11.1 Å²	11.1	14%	0.136	5%	0.052	C	C	.	.	I	π-helix	trans	-59.8	-51.6	-173.8	-174.2	-83.7	0	0	0	111.7	I53 V54 W308 G309 L317 F431 Y435	I53-W313 HydrophobicContact CG2-CH2 4.43Å; I53-W313 HydrophobicContact CG2-CZ3 4.3Å; V54-W313 HydrophobicContact CG2-CE3 4.07Å; V54-W313 HydrophobicContact CG2-CZ3 4.49Å; W308-W313 HydrophobicContact CE3-CB 4.48Å; W308-W313 HydrophobicContact CH2-CB 4.49Å; W308-W313 AromaticContact CH2-CE3 3.94Å; W308-W313 HydrophobicContact CH2-CE3 3.94Å; W308-W313 HydrophobicContact CZ3-CB 3.96Å; W308-W313 AromaticContact CZ3-CE3 3.81Å; W308-W313 HydrophobicContact CZ3-CE3 3.81Å; G309-W313 WeakPolarHBondContact O-CB 3.39Å; G309-W313 PolarHBondContact O-N 3Å; G309-W313 VanDerWaalsContact O-N 3.14Å; W313-L317 HydrophobicContact CD2-CD1 3.32Å; W313-L317 HydrophobicContact CE3-CD1 3.36Å; W313-L317 HydrophobicContact CG-CD1 3.97Å; W313-L317 HydrophobicContact CH2-CD1 3.63Å; W313-L317 HydrophobicContact CZ2-CD1 3.57Å; W313-L317 HydrophobicContact CZ3-CD1 3.51Å; W313-L317 VanDerWaalsContact O-CB 3.27Å; W313-L317 WeakPolarHBondContact O-CB 3.35Å; W313-L317 PolarHBondContact O-N 3.37Å; W313-F431 HydrophobicContact CH2-CE1 4.39Å; W313-F431 AromaticContact CH2-CZ 3.81Å; W313-F431 HydrophobicContact CH2-CZ 3.81Å; W313-F431 HydrophobicContact CZ2-CE1 4.02Å; W313-F431 AromaticContact CZ2-CZ 3.74Å; W313-F431 HydrophobicContact CZ2-CZ 3.74Å; W313-Y435 AromaticContact CE2-CE2 3.75Å; W313-Y435 AromaticContact CE2-CZ 3.93Å; W313-Y435 AromaticContact CZ2-CD2 3.55Å; W313-Y435 HydrophobicContact CZ2-CD2 3.55Å; W313-Y435 AromaticContact CZ2-CE2 3.59Å; W313-Y435 HydrophobicContact CZ2-CE2 3.59Å; W313-Y435 HydrophobicContact CZ2-CG 4.13Å; W313-Y435 AromaticContact NE1-CE1 3.49Å; W313-Y435 AromaticContact NE1-CE2 3.52Å; W313-Y435 AromaticContact NE1-CZ 3.2Å; W313-Y435 PolarHBondContact NE1-OH 3.41Å
314	L	96.6	Very high	97.4	Very high	13 Å²	13	11.3 Å²	11.3	7%	0.068	5%	0.052	C	C	.	.	H	α-helix	trans	-62.8	-58.2	-177.8	-177	167.5	0	0	0	111.4	I245 W248 G309 V312 Y316 Y318	I245-L314 HydrophobicContact CG1-CD1 3.9Å; W248-L314 HydrophobicContact CB-CD2 4.42Å; G309-L314 PolarHBondContact O-N 3.3Å; V312-L314 PolarHBondContact O-N 3.05Å; L314-Y316 VanDerWaalsContact C-N 3.3Å; L314-Y316 PolarHBondContact O-N 3.01Å; L314-Y318 HydrophobicContact CD1-CE2 4.46Å; L314-Y318 HydrophobicContact CD2-CD2 4.42Å; L314-Y318 HydrophobicContact CG-CD2 3.86Å; L314-Y318 HydrophobicContact CG-CE2 4.04Å; L314-Y318 HydrophobicContact CG-CG 4.16Å; L314-Y318 WeakPolarHBondContact O-CB 3.22Å; L314-Y318 PolarHBondContact O-N 2.83Å
315	P	96.8	Very high	97.4	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.032	5%	0.051	C	C	.	.	H	α-helix	trans	-64.3	-31.2	-174	-24.7	37.2	0	0	0	114.1	I251 D310 T319	I251-P315 HydrophobicContact CD1-CB 3.7Å; D310-P315 WeakPolarHBondContact O-CD 3.07Å; P315-T319 WeakPolarHBondContact O-CB 3.38Å; P315-T319 WeakPolarHBondContact O-CG2 3.36Å; P315-T319 PolarHBondContact O-OG1 2.8Å
316	Y	98	Very high	97.6	Very high	7 Å²	7	7 Å²	7	3%	0.027	4%	0.035	C	C	.	.	H	α-helix	trans	-91.8	-35.3	-174.9	-73.3	-96	0	0	0	113.8	V54 I58 W177 L180 L181 A184 V312 L314	V54-Y316 HydrophobicContact CG1-CG 4.17Å; I58-Y316 HydrophobicContact CD1-CD1 4Å; I58-Y316 HydrophobicContact CG1-CD1 4Å; W177-Y316 HydrophobicContact CD2-CD1 4.28Å; W177-Y316 AromaticContact CD2-CE1 3.77Å; W177-Y316 HydrophobicContact CD2-CE1 3.77Å; W177-Y316 AromaticContact CE2-CD1 3.53Å; W177-Y316 AromaticContact CE2-CE1 3.52Å; W177-Y316 AromaticContact CE3-CE1 3.91Å; W177-Y316 HydrophobicContact CE3-CE1 3.91Å; W177-Y316 AromaticContact CH2-CD1 3.59Å; W177-Y316 HydrophobicContact CH2-CD1 3.59Å; W177-Y316 HydrophobicContact CH2-CD2 4.37Å; W177-Y316 AromaticContact CH2-CE1 3.59Å; W177-Y316 HydrophobicContact CH2-CE1 3.59Å; W177-Y316 HydrophobicContact CH2-CE2 4.39Å; W177-Y316 AromaticContact CH2-CG 3.97Å; W177-Y316 HydrophobicContact CH2-CG 3.97Å; W177-Y316 AromaticContact CH2-CZ 3.98Å; W177-Y316 AromaticContact CZ2-CD1 3.17Å; W177-Y316 HydrophobicContact CZ2-CD1 3.17Å; W177-Y316 AromaticContact CZ2-CE1 3.46Å; W177-Y316 HydrophobicContact CZ2-CE1 3.46Å; W177-Y316 VanDerWaalsContact CZ2-CE1 3.46Å; W177-Y316 AromaticContact CZ2-CG 3.83Å; W177-Y316 HydrophobicContact CZ2-CG 3.83Å; W177-Y316 HydrophobicContact CZ3-CD1 4.29Å; W177-Y316 AromaticContact CZ3-CE1 3.81Å; W177-Y316 HydrophobicContact CZ3-CE1 3.81Å; W177-Y316 AromaticContact CZ3-CZ 3.97Å; L180-Y316 WeakPolarHBondContact CB-OH 3.41Å; L180-Y316 PolarHBondContact O-OH 2.88Å; L181-Y316 VanDerWaalsContact CA-CZ 3.45Å; L181-Y316 WeakPolarHBondContact CA-OH 3.38Å; L181-Y316 HydrophobicContact CB-CD1 4.34Å; L181-Y316 HydrophobicContact CB-CE1 3.58Å; L181-Y316 HydrophobicContact CD1-CD1 3.76Å; L181-Y316 HydrophobicContact CD1-CD2 4.02Å; L181-Y316 HydrophobicContact CD1-CE1 3.77Å; L181-Y316 HydrophobicContact CD1-CE2 4.02Å; L181-Y316 HydrophobicContact CD1-CG 3.91Å; L181-Y316 HydrophobicContact CG-CD1 4.49Å; L181-Y316 HydrophobicContact CG-CE1 4.19Å; L181-Y316 PolarHBondContact N-OH 3.49Å; A184-Y316 HydrophobicContact CB-CE2 3.93Å; V312-Y316 HydrophobicContact CG1-CD2 4.37Å; V312-Y316 WeakPolarHBondContact O-CB 3.42Å; V312-Y316 VanDerWaalsContact O-CD2 3.24Å; V312-Y316 WeakPolarHBondContact O-CD2 3.35Å; V312-Y316 PolarHBondContact O-N 3.27Å; L314-Y316 VanDerWaalsContact C-N 3.3Å; L314-Y316 PolarHBondContact O-N 3.01Å
317	L	97.7	Very high	97.7	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-94.3	-23.6	-177.3	-61.5	172.2	0	0	0	113	V54 F57 W313 T319 L320 F431	V54-L317 HydrophobicContact CG2-CD1 3.79Å; V54-L317 HydrophobicContact CG2-CG 4.17Å; F57-L317 HydrophobicContact CB-CD2 3.99Å; F57-L317 HydrophobicContact CD1-CD2 4.32Å; F57-L317 HydrophobicContact CD2-CD2 4.5Å; F57-L317 HydrophobicContact CG-CD2 4.01Å; W313-L317 HydrophobicContact CD2-CD1 3.32Å; W313-L317 HydrophobicContact CE3-CD1 3.36Å; W313-L317 HydrophobicContact CG-CD1 3.97Å; W313-L317 HydrophobicContact CH2-CD1 3.63Å; W313-L317 HydrophobicContact CZ2-CD1 3.57Å; W313-L317 HydrophobicContact CZ3-CD1 3.51Å; W313-L317 VanDerWaalsContact O-CB 3.27Å; W313-L317 WeakPolarHBondContact O-CB 3.35Å; W313-L317 PolarHBondContact O-N 3.37Å; L317-T319 VanDerWaalsContact C-N 3.31Å; L317-L320 HydrophobicContact CB-CD1 4.4Å; L317-L320 HydrophobicContact CD2-CD1 3.9Å; L317-L320 HydrophobicContact CD2-CD2 4.4Å; L317-L320 HydrophobicContact CD2-CG 4.37Å; L317-L320 WeakPolarHBondContact O-CD1 3.4Å; L317-L320 WeakPolarHBondContact O-CG 3.34Å; L317-F431 HydrophobicContact CB-CE1 4.22Å; L317-F431 HydrophobicContact CD1-CE1 3.89Å; L317-F431 HydrophobicContact CD1-CZ 4.39Å; L317-F431 HydrophobicContact CD2-CD1 4.46Å; L317-F431 HydrophobicContact CD2-CE1 4.18Å; L317-F431 HydrophobicContact CG-CE1 4.32Å
318	Y	97.8	Very high	97.8	Very high	27 Å²	27	12.1 Å²	12.1	11%	0.106	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.4	178.1	-69.3	26.1	0	0	0	112.4	W248 Q277 L314 Q321 Y432 Y435 M436	W248-Y318 HydrophobicContact CE3-CD2 4.18Å; W248-Y318 AromaticContact CH2-CD2 3.79Å; W248-Y318 HydrophobicContact CH2-CD2 3.79Å; W248-Y318 HydrophobicContact CZ2-CD2 4.16Å; W248-Y318 AromaticContact CZ3-CD2 3.8Å; W248-Y318 HydrophobicContact CZ3-CD2 3.8Å; W248-Y318 HydrophobicContact CZ3-CE2 4.46Å; W248-Y318 PolarHBondContact NE1-O 2.59Å; Q277-Y318 PolarHBondContact NE2-O 2.97Å; Q277-Y318 VanDerWaalsContact NE2-O 3.13Å; L314-Y318 HydrophobicContact CD1-CE2 4.46Å; L314-Y318 HydrophobicContact CD2-CD2 4.42Å; L314-Y318 HydrophobicContact CG-CD2 3.86Å; L314-Y318 HydrophobicContact CG-CE2 4.04Å; L314-Y318 HydrophobicContact CG-CG 4.16Å; L314-Y318 WeakPolarHBondContact O-CB 3.22Å; L314-Y318 PolarHBondContact O-N 2.83Å; Y318-Q321 PolarHBondContact O-OE1 3.49Å; Y318-Q321 VanDerWaalsContact O-OE1 3.08Å; Y318-Y432 HydrophobicContact CD1-CD2 4.05Å; Y318-Y432 AromaticContact CD1-CE2 3.68Å; Y318-Y432 HydrophobicContact CD1-CE2 3.68Å; Y318-Y432 AromaticContact CD2-CE2 3.7Å; Y318-Y432 HydrophobicContact CD2-CE2 3.7Å; Y318-Y432 HydrophobicContact CE1-CE2 4.05Å; Y318-Y432 HydrophobicContact CE2-CE2 4.08Å; Y318-Y432 HydrophobicContact CG-CD2 4.17Å; Y318-Y432 AromaticContact CG-CE2 3.49Å; Y318-Y432 HydrophobicContact CG-CE2 3.49Å; Y318-Y432 VanDerWaalsContact CG-CE2 3.49Å; Y318-Y435 HydrophobicContact CE1-CD1 4.24Å; Y318-Y435 AromaticContact CE1-CE1 3.7Å; Y318-Y435 HydrophobicContact CE1-CE1 3.7Å; Y318-Y435 WeakPolarHBondContact OH-CE1 3.42Å; Y318-M436 HydrophobicContact CD2-CE 4.37Å; Y318-M436 HydrophobicContact CE1-CE 4.24Å; Y318-M436 HydrophobicContact CE2-CE 3.49Å; Y318-M436 VanDerWaalsContact CE2-CE 3.49Å; Y318-M436 VanDerWaalsContact CZ-CE 3.41Å; Y318-M436 VanDerWaalsContact OH-CE 3.28Å; Y318-M436 WeakPolarHBondContact OH-CE 3.26Å
319	T	98.4	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	5.8	179.1	59	0	0	0	0	112.8	W248 I251 P315 L317 Q321 G322 L323	W248-T319 VanDerWaalsContact CD1-CG2 3.43Å; W248-T319 HydrophobicContact CG-CG2 4.34Å; I251-T319 HydrophobicContact CB-CG2 4.04Å; I251-T319 HydrophobicContact CD1-CG2 4.4Å; I251-T319 HydrophobicContact CG2-CG2 3.73Å; P315-T319 WeakPolarHBondContact O-CB 3.38Å; P315-T319 WeakPolarHBondContact O-CG2 3.36Å; P315-T319 PolarHBondContact O-OG1 2.8Å; L317-T319 VanDerWaalsContact C-N 3.31Å; T319-Q321 PolarHBondContact O-N 2.98Å; T319-Q321 VanDerWaalsContact O-N 3.14Å; T319-G322 PolarHBondContact O-N 3.44Å; T319-L323 PolarHBondContact O-N 2.84Å
320	L	98.4	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.2	-33.6	-177.1	-74	173.9	0	0	0	113.2	F57 L317 L323 Y324 L428 F431	F57-L320 HydrophobicContact CB-CD2 4.33Å; F57-L320 HydrophobicContact CD1-CD1 3.69Å; F57-L320 HydrophobicContact CD1-CD2 4.24Å; F57-L320 HydrophobicContact CE1-CD1 4.12Å; L317-L320 HydrophobicContact CB-CD1 4.4Å; L317-L320 HydrophobicContact CD2-CD1 3.9Å; L317-L320 HydrophobicContact CD2-CD2 4.4Å; L317-L320 HydrophobicContact CD2-CG 4.37Å; L317-L320 WeakPolarHBondContact O-CD1 3.4Å; L317-L320 WeakPolarHBondContact O-CG 3.34Å; L320-L323 HydrophobicContact CD2-CD2 4.44Å; L320-L323 PolarHBondContact O-N 3.24Å; L320-Y324 WeakPolarHBondContact O-CB 3.31Å; L320-Y324 PolarHBondContact O-N 3.43Å; L320-L428 HydrophobicContact CB-CD2 4.09Å; L320-L428 HydrophobicContact CD2-CD2 4.05Å; L320-L428 HydrophobicContact CG-CD2 4.47Å; L320-F431 HydrophobicContact CD1-CB 4.36Å; L320-F431 HydrophobicContact CD1-CD1 3.92Å
321	Q	98.7	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-46.5	177.8	-59.3	83.4	0.5	0	0	110.7	V273 Y318 T319 Y324 L325 C422 P429	V273-Q321 HydrophobicContact CG1-CB 3.89Å; V273-Q321 HydrophobicContact CG2-CB 4.07Å; Y318-Q321 PolarHBondContact O-OE1 3.49Å; Y318-Q321 VanDerWaalsContact O-OE1 3.08Å; T319-Q321 PolarHBondContact O-N 2.98Å; T319-Q321 VanDerWaalsContact O-N 3.14Å; Q321-Y324 PolarHBondContact O-N 3.36Å; Q321-L325 WeakPolarHBondContact O-CB 3.22Å; Q321-L325 WeakPolarHBondContact O-CG 3.37Å; Q321-L325 PolarHBondContact O-N 2.87Å; Q321-C422 VanDerWaalsContact CB-SG 3.54Å; Q321-P429 HydrophobicContact CG-CB 4.22Å; Q321-P429 PolarHBondContact NE2-O 2.9Å
322	G	98.5	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-45.7	174.1	0	0	0	0	0	111.3	F255 M270 T319 Y324 L325 V326	F255-G322 VanDerWaalsContact CD2-C 3.41Å; M270-G322 WeakPolarHBondContact CE-O 3.27Å; T319-G322 PolarHBondContact O-N 3.44Å; G322-Y324 PolarHBondContact O-N 2.88Å; G322-L325 PolarHBondContact O-N 3.42Å; G322-V326 PolarHBondContact O-N 2.81Å
323	L	98.5	Very high	97.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-49.2	177.7	-178	61.7	0	0	0	111.3	I58 C61 F174 F255 T319 L320 L325 V326 Y327	I58-L323 HydrophobicContact CD1-CD2 3.85Å; C61-L323 HydrophobicContact CB-CD2 3.87Å; C61-L323 HydrophobicContact CB-CG 4.19Å; F174-L323 HydrophobicContact CD2-CD1 4.31Å; F174-L323 HydrophobicContact CE2-CD1 3.84Å; F255-L323 HydrophobicContact CD2-CB 4.26Å; F255-L323 HydrophobicContact CE1-CD1 4.33Å; F255-L323 HydrophobicContact CE2-CB 3.67Å; F255-L323 HydrophobicContact CE2-CD1 4.37Å; F255-L323 HydrophobicContact CZ-CB 4.1Å; F255-L323 HydrophobicContact CZ-CD1 3.98Å; T319-L323 PolarHBondContact O-N 2.84Å; L320-L323 HydrophobicContact CD2-CD2 4.44Å; L320-L323 PolarHBondContact O-N 3.24Å; L323-L325 VanDerWaalsContact C-N 3.31Å; L323-L325 PolarHBondContact O-N 2.94Å; L323-V326 WeakPolarHBondContact O-CB 3.46Å; L323-V326 PolarHBondContact O-N 3.12Å; L323-V326 VanDerWaalsContact O-N 3.16Å; L323-Y327 HydrophobicContact CD1-CE2 3.85Å; L323-Y327 HydrophobicContact CG-CE2 4.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.37Å
324	Y	98.6	Very high	97.9	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-55.2	-45.6	177.2	173.5	-98.2	0	0	0	112.1	C66 L320 Q321 G322 V326 Y327 H328 V330 C422 H426 P429	C66-Y324 HydrophobicContact CB-CD2 3.66Å; C66-Y324 HydrophobicContact CB-CE2 4.21Å; L320-Y324 WeakPolarHBondContact O-CB 3.31Å; L320-Y324 PolarHBondContact O-N 3.43Å; Q321-Y324 PolarHBondContact O-N 3.36Å; G322-Y324 PolarHBondContact O-N 2.88Å; Y324-V326 PolarHBondContact O-N 3.41Å; Y324-Y327 PolarHBondContact O-N 3.41Å; Y324-Y327 VanDerWaalsContact O-N 3.1Å; Y324-H328 HydrophobicContact CD1-CB 4.4Å; Y324-H328 AromaticContact CD2-CD2 3.78Å; Y324-H328 HydrophobicContact CE1-CB 3.83Å; Y324-H328 HydrophobicContact CE2-CB 4.07Å; Y324-H328 AromaticContact CE2-CD2 3.28Å; Y324-H328 WeakPolarHBondContact CE2-CD2 3.35Å; Y324-H328 AromaticContact CE2-CG 3.78Å; Y324-H328 AromaticContact CZ-CD2 3.77Å; Y324-H328 AromaticContact CZ-CG 3.76Å; Y324-H328 PolarHBondContact O-N 3.39Å; Y324-V330 HydrophobicContact CE1-CG2 4.19Å; Y324-C422 HydrophobicContact CD1-CB 3.64Å; Y324-C422 HydrophobicContact CE1-CB 3.75Å; Y324-C422 WeakPolarHBondContact CE1-O 3.15Å; Y324-H426 HydrophobicContact CD2-CB 4.38Å; Y324-H426 HydrophobicContact CE2-CB 3.6Å; Y324-H426 AromaticContact CE2-CG 3.58Å; Y324-H426 AromaticContact CE2-ND1 3.34Å; Y324-H426 VanDerWaalsContact CE2-ND1 3.34Å; Y324-H426 WeakPolarHBondContact CE2-ND1 3.29Å; Y324-H426 AromaticContact CZ-ND1 3.62Å; Y324-H426 PolarHBondContact OH-ND1 2.9Å; Y324-P429 HydrophobicContact CD1-CG 4.32Å; Y324-P429 HydrophobicContact CD2-CG 4.45Å; Y324-P429 HydrophobicContact CG-CG 4.24Å
325	L	98.6	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.4	-18.8	-177.6	-71.1	171.2	0	0	0	113.7	Q259 A269 M270 V273 Q321 G322 L323 H328 V330	Q259-L325 PolarHBondContact NE2-O 2.57Å; A269-L325 HydrophobicContact CB-CD1 4.04Å; A269-L325 HydrophobicContact CB-CD2 3.78Å; M270-L325 HydrophobicContact CB-CD1 4.27Å; M270-L325 HydrophobicContact CE-CB 3.58Å; M270-L325 HydrophobicContact SD-CB 4.27Å; M270-L325 HydrophobicContact SD-CD1 4.45Å; V273-L325 HydrophobicContact CB-CD1 4.44Å; V273-L325 HydrophobicContact CG2-CD1 3.81Å; Q321-L325 WeakPolarHBondContact O-CB 3.22Å; Q321-L325 WeakPolarHBondContact O-CG 3.37Å; Q321-L325 PolarHBondContact O-N 2.87Å; G322-L325 PolarHBondContact O-N 3.42Å; L323-L325 VanDerWaalsContact C-N 3.31Å; L323-L325 PolarHBondContact O-N 2.94Å; L325-H328 WeakPolarHBondContact CA-O 3.48Å; L325-H328 CarbonylContact O-C 3.53Å; L325-V330 HydrophobicContact CD2-CB 3.81Å; L325-V330 HydrophobicContact CD2-CG2 4.03Å
326	V	98.4	Very high	98	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-45.1	169.5	-178.1	0	0	0	0	110.8	F174 F255 K258 L262 H263 M270 G322 L323 Y324	F174-V326 HydrophobicContact CD2-CG1 4.23Å; F174-V326 HydrophobicContact CD2-CG2 4.12Å; F174-V326 HydrophobicContact CE1-CG1 4.44Å; F174-V326 HydrophobicContact CE2-CB 3.83Å; F174-V326 HydrophobicContact CE2-CG1 3.53Å; F174-V326 HydrophobicContact CE2-CG2 3.93Å; F174-V326 HydrophobicContact CZ-CB 4.37Å; F174-V326 HydrophobicContact CZ-CG1 3.65Å; F255-V326 HydrophobicContact CB-CG2 3.76Å; F255-V326 HydrophobicContact CG-CG2 4.27Å; F255-V326 WeakPolarHBondContact O-CG2 3.38Å; K258-V326 HydrophobicContact CB-CG1 4.15Å; K258-V326 HydrophobicContact CB-CG2 4.49Å; K258-V326 HydrophobicContact CG-CG1 3.74Å; L262-V326 HydrophobicContact CD1-CG1 3.78Å; H263-V326 PolarHBondContact NE2-O 2.99Å; M270-V326 HydrophobicContact CE-CG2 3.98Å; G322-V326 PolarHBondContact O-N 2.81Å; L323-V326 WeakPolarHBondContact O-CB 3.46Å; L323-V326 PolarHBondContact O-N 3.12Å; L323-V326 VanDerWaalsContact O-N 3.16Å; Y324-V326 PolarHBondContact O-N 3.41Å
327	Y	97.8	Very high	98.1	Very high	70 Å²	70	37.8 Å²	37.8	28%	0.275	21%	0.205	S	C	.	.	H	α-helix	trans	-78.1	-31.8	179.8	-66.7	-81.2	0	0	0	112.7	C61 F174 L323 Y324	C61-Y327 HydrophobicContact CB-CD2 4.44Å; C61-Y327 HydrophobicContact CB-CE2 4.17Å; F174-Y327 HydrophobicContact CE2-CE2 4.18Å; F174-Y327 HydrophobicContact CZ-CE2 4.13Å; F174-Y327 AromaticContact CZ-CZ 3.94Å; L323-Y327 HydrophobicContact CD1-CE2 3.85Å; L323-Y327 HydrophobicContact CG-CE2 4.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.37Å; Y324-Y327 PolarHBondContact O-N 3.41Å; Y324-Y327 VanDerWaalsContact O-N 3.1Å
328	H	97.9	Very high	98.1	Very high	50 Å²	50	41.1 Å²	41.1	23%	0.231	23%	0.225	C	C	.	.	S	Bend	trans	-123.8	90.7	-179.7	-68.1	-81.2	0	0	0	110.2	S65 Y324 L325 V330 H426	S65-H328 PolarHBondContact O-NE2 3.15Å; Y324-H328 HydrophobicContact CD1-CB 4.4Å; Y324-H328 AromaticContact CD2-CD2 3.78Å; Y324-H328 HydrophobicContact CE1-CB 3.83Å; Y324-H328 HydrophobicContact CE2-CB 4.07Å; Y324-H328 AromaticContact CE2-CD2 3.28Å; Y324-H328 WeakPolarHBondContact CE2-CD2 3.35Å; Y324-H328 AromaticContact CE2-CG 3.78Å; Y324-H328 AromaticContact CZ-CD2 3.77Å; Y324-H328 AromaticContact CZ-CG 3.76Å; Y324-H328 PolarHBondContact O-N 3.39Å; L325-H328 WeakPolarHBondContact CA-O 3.48Å; L325-H328 CarbonylContact O-C 3.53Å; H328-V330 VanDerWaalsContact C-N 3.27Å; H328-V330 HydrophobicContact CB-CG2 4.46Å; H328-V330 PolarHBondContact O-N 3.42Å; H328-H426 AromaticContact CE1-CE1 3.46Å; H328-H426 PolarHBondContact CE1-CE1 3.2Å; H328-H426 VanDerWaalsContact CE1-CE1 3.46Å; H328-H426 AromaticContact NE2-CE1 3.48Å; H328-H426 PolarHBondContact NE2-CE1 3.4Å; H328-H426 AromaticContact NE2-ND1 3.99Å
329	P	97.1	Very high	98.1	Very high	51 Å²	51	41.7 Å²	41.7	33%	0.331	24%	0.239	S	C	.	.			trans	-70.2	82.3	179.1	30.7	-36.5	0	0	0	110.9	T267 Q331	T267-P329 HydrophobicContact CG2-CB 3.7Å; P329-Q331 PolarHBondContact O-N 2.82Å
330	V	97.8	Very high	98.1	Very high	32 Å²	32	42.2 Å²	42.2	19%	0.194	24%	0.243	C	C	.	.			trans	-75.8	122.9	179.5	176.4	0	0	0	0	110.1	T267 A269 Y324 L325 H328 L332	T267-V330 WeakPolarHBondContact CB-O 3.22Å; T267-V330 PolarHBondContact OG1-O 3.23Å; A269-V330 HydrophobicContact CB-CB 4.23Å; A269-V330 HydrophobicContact CB-CG1 4.41Å; A269-V330 WeakPolarHBondContact CB-O 3.37Å; Y324-V330 HydrophobicContact CE1-CG2 4.19Å; L325-V330 HydrophobicContact CD2-CB 3.81Å; L325-V330 HydrophobicContact CD2-CG2 4.03Å; H328-V330 VanDerWaalsContact C-N 3.27Å; H328-V330 HydrophobicContact CB-CG2 4.46Å; H328-V330 PolarHBondContact O-N 3.42Å; V330-L332 HydrophobicContact CG1-CD2 3.96Å; V330-L332 HydrophobicContact CG1-CG 4.31Å
331	Q	97.9	Very high	98.1	Very high	120 Å²	120	45.1 Å²	45.1	56%	0.561	26%	0.258	S	S	*	.			trans	-106.2	109.5	169.6	-173.5	66.7	10.9	0	0	109.5	N268 P329	N268-Q331 VanDerWaalsContact N-OE1 3.08Å; N268-Q331 PolarHBondContact ND2-NE2 2.9Å; N268-Q331 PolarHBondContact OD1-OE1 3.4Å; P329-Q331 PolarHBondContact O-N 2.82Å
332	L	97.6	Very high	98.1	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.115	28%	0.282	C	S	.	.			trans	-76.7	145.4	178.9	-61.7	170	0	0	0	110.4	N268 A269 L272 V330 H336 A337	N268-L332 PolarHBondContact ND2-O 3.38Å; N268-L332 PolarHBondContact OD1-N 3.36Å; A269-L332 HydrophobicContact CB-CD1 4.28Å; A269-L332 HydrophobicContact CB-CG 4.34Å; L272-L332 HydrophobicContact CD1-CD1 3.92Å; V330-L332 HydrophobicContact CG1-CD2 3.96Å; V330-L332 HydrophobicContact CG1-CG 4.31Å; L332-H336 HydrophobicContact CB-CB 4.34Å; L332-A337 HydrophobicContact CB-CB 4.19Å
333	S	97.8	Very high	98.1	Very high	62 Å²	62	51.8 Å²	51.8	43%	0.434	29%	0.293	S	S	.	.			trans	-67.3	152.6	166.7	72.6	0	0	0	0	110.5	P335 H336 A337	S333-P335 VanDerWaalsContact C-CD 3.48Å; S333-P335 VanDerWaalsContact C-N 3.34Å; S333-H336 PolarHBondContact O-N 2.85Å; S333-H336 PolarHBondContact OG-ND1 3.44Å; S333-A337 PolarHBondContact O-N 2.78Å
334	T	97.6	Very high	98.1	Very high	108 Å²	108	51.9 Å²	51.9	66%	0.663	29%	0.294	S	S	*	.	H	α-helix	trans	-50.5	-44.8	-176.5	-51.6	0	0	0	0	113.6	H336 A337 V338	T334-H336 PolarHBondContact O-N 2.92Å; T334-A337 PolarHBondContact O-N 3.43Å; T334-V338 HydrophobicContact CG2-CG2 4.35Å; T334-V338 WeakPolarHBondContact O-CB 3.28Å; T334-V338 VanDerWaalsContact O-CG2 3.32Å; T334-V338 WeakPolarHBondContact O-CG2 3.47Å; T334-V338 PolarHBondContact O-N 3.16Å
335	P	98.2	Very high	98.1	Very high	98 Å²	98	54.9 Å²	54.9	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-61.2	-40.4	177	-24	35.2	0	0	0	113.6	S333 G339	S333-P335 VanDerWaalsContact C-CD 3.48Å; S333-P335 VanDerWaalsContact C-N 3.34Å; P335-G339 PolarHBondContact O-N 3.26Å
336	H	97.6	Very high	98.1	Very high	126 Å²	126	58.1 Å²	58.1	58%	0.583	33%	0.33	S	S	*	.	H	α-helix	trans	-68.3	-44.2	177.6	-70.1	88.7	0	0	0	111.2	L332 S333 T334 V338 G339 V340	L332-H336 HydrophobicContact CB-CB 4.34Å; S333-H336 PolarHBondContact O-N 2.85Å; S333-H336 PolarHBondContact OG-ND1 3.44Å; T334-H336 PolarHBondContact O-N 2.92Å; H336-V338 VanDerWaalsContact C-N 3.34Å; H336-V338 PolarHBondContact O-N 2.92Å; H336-G339 PolarHBondContact O-N 3.24Å; H336-V340 WeakPolarHBondContact O-CB 3.44Å; H336-V340 WeakPolarHBondContact O-CG2 3.44Å; H336-V340 PolarHBondContact O-N 2.91Å
337	A	98.3	Very high	98.1	Very high	15 Å²	15	58.1 Å²	58.1	12%	0.124	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-44.8	176.7	0	0	0	0	0	111.8	L272 L332 S333 T334 L341	L272-A337 HydrophobicContact CD1-CB 3.94Å; L332-A337 HydrophobicContact CB-CB 4.19Å; S333-A337 PolarHBondContact O-N 2.78Å; T334-A337 PolarHBondContact O-N 3.43Å; A337-L341 WeakPolarHBondContact O-CB 3.08Å; A337-L341 PolarHBondContact O-N 2.95Å
338	V	98.3	Very high	98.1	Very high	72 Å²	72	58.3 Å²	58.3	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-44.8	175.4	171.2	0	0	0	0	111.2	T334 H336 V340 L341 L342	T334-V338 HydrophobicContact CG2-CG2 4.35Å; T334-V338 WeakPolarHBondContact O-CB 3.28Å; T334-V338 VanDerWaalsContact O-CG2 3.32Å; T334-V338 WeakPolarHBondContact O-CG2 3.47Å; T334-V338 PolarHBondContact O-N 3.16Å; H336-V338 VanDerWaalsContact C-N 3.34Å; H336-V338 PolarHBondContact O-N 2.92Å; V338-V340 PolarHBondContact O-N 3.37Å; V338-L341 PolarHBondContact O-N 3.37Å; V338-L342 HydrophobicContact CG1-CD1 3.82Å; V338-L342 HydrophobicContact CG1-CG 4.23Å; V338-L342 WeakPolarHBondContact O-CB 3.49Å; V338-L342 VanDerWaalsContact O-CG 3.29Å; V338-L342 WeakPolarHBondContact O-CG 3.18Å; V338-L342 PolarHBondContact O-N 2.98Å
339	G	98.5	Very high	98.2	Very high	39 Å²	39	62.2 Å²	62.2	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-44.9	177.7	0	0	0	0	0	113	P335 H336 L342 L343	P335-G339 PolarHBondContact O-N 3.26Å; H336-G339 PolarHBondContact O-N 3.24Å; G339-L342 PolarHBondContact O-N 2.88Å; G339-L343 WeakPolarHBondContact O-CB 3.23Å; G339-L343 PolarHBondContact O-N 2.69Å
340	V	98.5	Very high	98.2	Very high	12 Å²	12	60.7 Å²	60.7	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-44.8	176.3	170.8	0	0	0	0	111.3	L276 H336 V338 L343 G344 A417 L420 A421	L276-V340 HydrophobicContact CD1-CG1 4.41Å; H336-V340 WeakPolarHBondContact O-CB 3.44Å; H336-V340 WeakPolarHBondContact O-CG2 3.44Å; H336-V340 PolarHBondContact O-N 2.91Å; V338-V340 PolarHBondContact O-N 3.37Å; V340-L343 PolarHBondContact O-N 3.11Å; V340-G344 PolarHBondContact O-N 3.11Å; V340-A417 HydrophobicContact CG1-CB 4.26Å; V340-A417 VanDerWaalsContact CG1-O 3.28Å; V340-A417 WeakPolarHBondContact CG1-O 3.38Å; V340-L420 HydrophobicContact CG2-CB 3.88Å; V340-A421 HydrophobicContact CG1-CB 4.1Å
341	L	98.5	Very high	98.2	Very high	60 Å²	60	60.8 Å²	60.8	31%	0.314	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-48.1	176.5	-179.9	62	0	0	0	111.2	L272 L276 A337 V338 G344 L345	L272-L341 HydrophobicContact CD2-CB 3.89Å; L272-L341 HydrophobicContact CD2-CD1 4.02Å; L272-L341 HydrophobicContact CD2-CG 4.39Å; L276-L341 HydrophobicContact CD2-CD1 4.1Å; A337-L341 WeakPolarHBondContact O-CB 3.08Å; A337-L341 PolarHBondContact O-N 2.95Å; V338-L341 PolarHBondContact O-N 3.37Å; L341-G344 PolarHBondContact O-N 2.89Å; L341-L345 HydrophobicContact CD1-CD1 3.96Å; L341-L345 HydrophobicContact CD1-CG 4.06Å; L341-L345 HydrophobicContact CG-CD1 3.92Å; L341-L345 HydrophobicContact CG-CG 4.37Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.35Å; L341-L345 PolarHBondContact O-N 3.44Å
342	L	98.6	Very high	98.1	Very high	97 Å²	97	57 Å²	57	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-43.3	178.3	-71.9	175.3	0	0	0	111.7	V338 G339 G344 L345 V346	V338-L342 HydrophobicContact CG1-CD1 3.82Å; V338-L342 HydrophobicContact CG1-CG 4.23Å; V338-L342 WeakPolarHBondContact O-CB 3.49Å; V338-L342 VanDerWaalsContact O-CG 3.29Å; V338-L342 WeakPolarHBondContact O-CG 3.18Å; V338-L342 PolarHBondContact O-N 2.98Å; G339-L342 PolarHBondContact O-N 2.88Å; L342-G344 VanDerWaalsContact C-N 3.33Å; L342-G344 PolarHBondContact O-N 2.93Å; L342-L345 PolarHBondContact O-N 3.42Å; L342-V346 WeakPolarHBondContact O-CB 3.33Å; L342-V346 WeakPolarHBondContact O-CG2 3.4Å; L342-V346 PolarHBondContact O-N 2.9Å
343	L	98.7	Very high	98.1	Very high	43 Å²	43	57.3 Å²	57.3	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-47.1	175.5	178.8	65.9	0	0	0	111.3	G339 V340 G347 M413 L416 A417 L420	G339-L343 WeakPolarHBondContact O-CB 3.23Å; G339-L343 PolarHBondContact O-N 2.69Å; V340-L343 PolarHBondContact O-N 3.11Å; L343-G347 PolarHBondContact O-N 3.47Å; L343-M413 HydrophobicContact CD1-CB 4.21Å; L343-M413 HydrophobicContact CD1-CE 3.76Å; L343-M413 HydrophobicContact CD1-CG 4.34Å; L343-L416 HydrophobicContact CD2-CB 4.41Å; L343-L416 HydrophobicContact CD2-CD2 4.12Å; L343-L416 HydrophobicContact CD2-CG 4.09Å; L343-A417 HydrophobicContact CB-CB 4.35Å; L343-A417 HydrophobicContact CD2-CB 4.12Å; L343-A417 HydrophobicContact CG-CB 4.17Å; L343-L420 HydrophobicContact CD2-CD1 3.75Å
344	G	98.5	Very high	98	Very high	4 Å²	4	54.4 Å²	54.4	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-45.3	178.4	0	0	0	0	0	113	V340 L341 L342 G347 Y348	V340-G344 PolarHBondContact O-N 3.11Å; L341-G344 PolarHBondContact O-N 2.89Å; L342-G344 VanDerWaalsContact C-N 3.33Å; L342-G344 PolarHBondContact O-N 2.93Å; G344-G347 PolarHBondContact O-N 3.46Å; G344-Y348 WeakPolarHBondContact O-CB 3.29Å; G344-Y348 PolarHBondContact O-N 3.25Å
345	L	98.5	Very high	97.9	Very high	70 Å²	70	50.2 Å²	50.2	37%	0.366	27%	0.268	S	S	.	.	H	α-helix	trans	-68.4	-39	179.2	-68.6	178.8	0	0	0	112.7	I279 L341 L342 Y349	I279-L345 HydrophobicContact CD1-CD2 3.84Å; L341-L345 HydrophobicContact CD1-CD1 3.96Å; L341-L345 HydrophobicContact CD1-CG 4.06Å; L341-L345 HydrophobicContact CG-CD1 3.92Å; L341-L345 HydrophobicContact CG-CG 4.37Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.35Å; L341-L345 PolarHBondContact O-N 3.44Å; L342-L345 PolarHBondContact O-N 3.42Å; L345-Y349 WeakPolarHBondContact O-CB 3.4Å; L345-Y349 PolarHBondContact O-N 3.43Å
346	V	98.6	Very high	97.7	Very high	69 Å²	69	49.9 Å²	49.9	42%	0.418	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-43.2	174.6	173.7	0	0	0	0	110.4	L342 Y348 Y349 I350 M413	L342-V346 WeakPolarHBondContact O-CB 3.33Å; L342-V346 WeakPolarHBondContact O-CG2 3.4Å; L342-V346 PolarHBondContact O-N 2.9Å; V346-Y348 PolarHBondContact O-N 2.95Å; V346-Y349 PolarHBondContact O-N 2.89Å; V346-I350 HydrophobicContact CG1-CD1 3.89Å; V346-I350 HydrophobicContact CG1-CG1 4.47Å; V346-I350 WeakPolarHBondContact O-CG1 3.49Å; V346-I350 PolarHBondContact O-N 3.33Å; V346-M413 HydrophobicContact CB-CE 4.17Å; V346-M413 HydrophobicContact CG1-CE 3.7Å
347	G	98.4	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-49.1	174.1	0	0	0	0	0	112.1	L343 G344 Y349 I350 F351 G410	L343-G347 PolarHBondContact O-N 3.47Å; G344-G347 PolarHBondContact O-N 3.46Å; G347-Y349 PolarHBondContact O-N 3.43Å; G347-I350 PolarHBondContact O-N 2.94Å; G347-F351 WeakPolarHBondContact O-CB 3.18Å; G347-F351 PolarHBondContact O-N 2.87Å; G347-G410 CarbonylContact C-O 3.49Å; G347-G410 WeakPolarHBondContact CA-O 3.32Å; G347-G410 CarbonylContact O-C 3.59Å; G347-G410 WeakPolarHBondContact O-CA 3.2Å
348	Y	98.1	Very high	97.4	Very high	74 Å²	74	46.1 Å²	46.1	29%	0.29	24%	0.237	S	C	.	.	H	α-helix	trans	-56.7	-48.9	173.5	169.8	-108.6	0	0	0	112.2	I279 D283 G344 V346 I350 F351 R352	I279-Y348 HydrophobicContact CG2-CD1 3.95Å; I279-Y348 HydrophobicContact CG2-CD2 3.68Å; I279-Y348 HydrophobicContact CG2-CE1 3.98Å; I279-Y348 HydrophobicContact CG2-CE2 3.72Å; I279-Y348 HydrophobicContact CG2-CG 3.79Å; D283-Y348 HydrophobicContact CB-CE2 3.74Å; D283-Y348 VanDerWaalsContact CG-CE2 3.47Å; D283-Y348 PolarHBondContact OD1-OH 2.89Å; G344-Y348 WeakPolarHBondContact O-CB 3.29Å; G344-Y348 PolarHBondContact O-N 3.25Å; V346-Y348 PolarHBondContact O-N 2.95Å; Y348-I350 PolarHBondContact O-N 3.38Å; Y348-F351 PolarHBondContact O-N 3.33Å; Y348-R352 HydrophobicContact CE2-CB 4.28Å; Y348-R352 WeakPolarHBondContact O-CB 3.43Å; Y348-R352 PolarHBondContact O-N 2.94Å
349	Y	98.2	Very high	97	Very high	132 Å²	132	43.8 Å²	43.8	52%	0.518	22%	0.222	S	C	.	.	H	α-helix	trans	-56.6	-48.1	177.9	173.6	-92.5	0	0	0	111.7	L345 V346 G347 R352 V353 F399	L345-Y349 WeakPolarHBondContact O-CB 3.4Å; L345-Y349 PolarHBondContact O-N 3.43Å; V346-Y349 PolarHBondContact O-N 2.89Å; G347-Y349 PolarHBondContact O-N 3.43Å; Y349-R352 PolarHBondContact O-N 2.85Å; Y349-V353 HydrophobicContact CD1-CG2 4.43Å; Y349-V353 HydrophobicContact CD2-CG2 3.88Å; Y349-V353 HydrophobicContact CE1-CG2 4.19Å; Y349-V353 HydrophobicContact CE2-CG2 3.62Å; Y349-V353 HydrophobicContact CG-CG2 4.28Å; Y349-V353 VanDerWaalsContact O-CB 3.29Å; Y349-V353 WeakPolarHBondContact O-CB 3.44Å; Y349-V353 VanDerWaalsContact O-CG2 3.25Å; Y349-V353 WeakPolarHBondContact O-CG2 3.48Å; Y349-V353 PolarHBondContact O-N 3.29Å; Y349-F399 HydrophobicContact CE1-CZ 4.44Å
350	I	98.1	Very high	96.8	Very high	19 Å²	19	44.5 Å²	44.5	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-50.4	178.5	-70.6	168.1	0	0	0	110.6	V346 G347 Y348 R352 A354 F399 F406 M413	V346-I350 HydrophobicContact CG1-CD1 3.89Å; V346-I350 HydrophobicContact CG1-CG1 4.47Å; V346-I350 WeakPolarHBondContact O-CG1 3.49Å; V346-I350 PolarHBondContact O-N 3.33Å; G347-I350 PolarHBondContact O-N 2.94Å; Y348-I350 PolarHBondContact O-N 3.38Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.24Å; I350-A354 WeakPolarHBondContact O-CB 3.45Å; I350-A354 PolarHBondContact O-N 3.08Å; I350-F399 HydrophobicContact CG1-CE1 4.22Å; I350-F399 HydrophobicContact CG1-CZ 4.09Å; I350-F399 HydrophobicContact CG2-CE1 4.25Å; I350-F399 HydrophobicContact CG2-CZ 4.48Å; I350-F406 HydrophobicContact CD1-CE1 4.21Å; I350-F406 HydrophobicContact CG1-CE1 4.44Å; I350-F406 HydrophobicContact CG2-CD1 3.47Å; I350-F406 VanDerWaalsContact CG2-CD1 3.47Å; I350-F406 HydrophobicContact CG2-CE1 3.5Å; I350-M413 HydrophobicContact CD1-CE 4.28Å; I350-M413 HydrophobicContact CD1-SD 3.78Å
351	F	97.4	Very high	96.7	Very high	34 Å²	34	44.2 Å²	44.2	15%	0.149	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-49.6	179.3	170.5	-95.9	0	0	0	111.4	G347 Y348 N355 N407 D411	G347-F351 WeakPolarHBondContact O-CB 3.18Å; G347-F351 PolarHBondContact O-N 2.87Å; Y348-F351 PolarHBondContact O-N 3.33Å; F351-N355 PolarHBondContact O-N 2.97Å; F351-N355 PolarHBondContact O-ND2 3.49Å; F351-N407 WeakPolarHBondContact CD2-O 3.41Å; F351-D411 HydrophobicContact CD2-CB 4.05Å; F351-D411 HydrophobicContact CE2-CB 4.49Å
352	R	96.1	Very high	96.3	Very high	40 Å²	40	49.2 Å²	49.2	15%	0.151	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-51.4	-176.8	172.2	47.4	49	173.7	-11	111.7	D283 N287 Y348 Y349 I350 N355 H356	D283-R352 IonicContact OD1-CZ 3.89Å; D283-R352 IonicContact OD1-NE 2.87Å; D283-R352 PolarHBondContact OD1-NE 3.41Å; D283-R352 IonicContact OD1-NH1 3.45Å; D283-R352 IonicContact OD1-NH2 2.89Å; D283-R352 PolarHBondContact OD1-NH2 3.08Å; D283-R352 IonicContact OD2-CZ 3.3Å; D283-R352 VanDerWaalsContact OD2-CZ 3.24Å; D283-R352 IonicContact OD2-NE 3.25Å; D283-R352 PolarHBondContact OD2-NE 3.45Å; D283-R352 IonicContact OD2-NH2 2.99Å; D283-R352 PolarHBondContact OD2-NH2 3.18Å; N287-R352 VanDerWaalsContact CG-NH2 3.31Å; N287-R352 PolarHBondContact ND2-NH1 3.36Å; N287-R352 PolarHBondContact ND2-NH2 3.48Å; N287-R352 PolarHBondContact OD1-NH1 2.79Å; Y348-R352 HydrophobicContact CE2-CB 4.28Å; Y348-R352 WeakPolarHBondContact O-CB 3.43Å; Y348-R352 PolarHBondContact O-N 2.94Å; Y349-R352 PolarHBondContact O-N 2.85Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.24Å; R352-N355 PolarHBondContact O-N 2.85Å; R352-H356 WeakPolarHBondContact O-CB 3.29Å; R352-H356 PolarHBondContact O-N 3.21Å
353	V	96.8	Very high	95.9	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-38.8	-177.6	175.9	0	0	0	0	111.2	Y349 N355 H356 Q357 F399	Y349-V353 HydrophobicContact CD1-CG2 4.43Å; Y349-V353 HydrophobicContact CD2-CG2 3.88Å; Y349-V353 HydrophobicContact CE1-CG2 4.19Å; Y349-V353 HydrophobicContact CE2-CG2 3.62Å; Y349-V353 HydrophobicContact CG-CG2 4.28Å; Y349-V353 VanDerWaalsContact O-CB 3.29Å; Y349-V353 WeakPolarHBondContact O-CB 3.44Å; Y349-V353 VanDerWaalsContact O-CG2 3.25Å; Y349-V353 WeakPolarHBondContact O-CG2 3.48Å; Y349-V353 PolarHBondContact O-N 3.29Å; V353-N355 PolarHBondContact O-N 3.4Å; V353-H356 PolarHBondContact O-N 3.23Å; V353-Q357 HydrophobicContact CG1-CG 4.3Å; V353-Q357 WeakPolarHBondContact O-CB 3.48Å; V353-Q357 VanDerWaalsContact O-CG 3.29Å; V353-Q357 WeakPolarHBondContact O-CG 3.35Å; V353-Q357 PolarHBondContact O-N 2.88Å; V353-F399 HydrophobicContact CB-CD2 4.41Å; V353-F399 HydrophobicContact CB-CE2 3.89Å; V353-F399 HydrophobicContact CG1-CD2 4.06Å; V353-F399 HydrophobicContact CG1-CE2 3.66Å
354	A	96.7	Very high	95.7	Very high	1 Å²	1	51 Å²	51	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-45.4	175.4	0	0	0	0	0	111.5	I350 Q357 K358 F399 W400 N407	I350-A354 WeakPolarHBondContact O-CB 3.45Å; I350-A354 PolarHBondContact O-N 3.08Å; A354-Q357 PolarHBondContact O-N 2.88Å; A354-K358 PolarHBondContact O-N 2.71Å; A354-F399 HydrophobicContact CB-CB 3.78Å; A354-F399 HydrophobicContact CB-CD2 3.96Å; A354-F399 HydrophobicContact CB-CG 4.08Å; A354-W400 PolarHBondContact O-NE1 2.87Å; A354-N407 HydrophobicContact CB-CB 3.72Å
355	N	94.5	Very high	95.4	Very high	20 Å²	20	55.1 Å²	55.1	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-40.4	175.6	-79.7	-61.5	0	0	0	112.6	W290 F351 R352 V353 Q357 K358 D359	W290-N355 HydrophobicContact CE3-CB 4.39Å; W290-N355 HydrophobicContact CZ3-CB 3.82Å; F351-N355 PolarHBondContact O-N 2.97Å; F351-N355 PolarHBondContact O-ND2 3.49Å; R352-N355 PolarHBondContact O-N 2.85Å; V353-N355 PolarHBondContact O-N 3.4Å; N355-Q357 PolarHBondContact O-N 3.04Å; N355-K358 PolarHBondContact O-N 3.19Å; N355-K358 PolarHBondContact OD1-NZ 2.95Å; N355-K358 VanDerWaalsContact OD1-NZ 3.15Å; N355-D359 PolarHBondContact O-N 3.49Å
356	H	94	Very high	95.1	Very high	90 Å²	90	52.3 Å²	52.3	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-42.7	175.1	179.4	70.1	0	0	0	112.3	W290 R352 V353 K358 D359 L360	W290-H356 HydrophobicContact CH2-CB 4.38Å; R352-H356 WeakPolarHBondContact O-CB 3.29Å; R352-H356 PolarHBondContact O-N 3.21Å; V353-H356 PolarHBondContact O-N 3.23Å; H356-K358 VanDerWaalsContact C-N 3.29Å; H356-K358 PolarHBondContact O-N 2.74Å; H356-D359 PolarHBondContact O-N 2.67Å; H356-L360 VanDerWaalsContact O-CB 3.28Å; H356-L360 WeakPolarHBondContact O-CB 3.33Å; H356-L360 PolarHBondContact O-N 2.61Å
357	Q	96.5	Very high	94.9	Very high	9 Å²	9	59 Å²	59	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-44.3	175.5	-76.3	178.2	-8.4	0	0	111.6	V353 A354 N355 F361 I370 W371 L395	V353-Q357 HydrophobicContact CG1-CG 4.3Å; V353-Q357 WeakPolarHBondContact O-CB 3.48Å; V353-Q357 VanDerWaalsContact O-CG 3.29Å; V353-Q357 WeakPolarHBondContact O-CG 3.35Å; V353-Q357 PolarHBondContact O-N 2.88Å; A354-Q357 PolarHBondContact O-N 2.88Å; N355-Q357 PolarHBondContact O-N 3.04Å; Q357-F361 WeakPolarHBondContact O-CB 3.48Å; Q357-F361 PolarHBondContact O-N 2.97Å; Q357-I370 HydrophobicContact CB-CD1 4.09Å; Q357-I370 HydrophobicContact CG-CD1 4.06Å; Q357-I370 HydrophobicContact CG-CG2 4.18Å; Q357-W371 VanDerWaalsContact NE2-NE1 3.12Å; Q357-L395 HydrophobicContact CB-CD2 4.42Å
358	K	93.6	Very high	94.8	Very high	53 Å²	53	59.9 Å²	59.9	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-44.6	177.1	178	179.5	65.8	-159.8	0	112	A354 N355 H356 R362 W400	A354-K358 PolarHBondContact O-N 2.71Å; N355-K358 PolarHBondContact O-N 3.19Å; N355-K358 PolarHBondContact OD1-NZ 2.95Å; N355-K358 VanDerWaalsContact OD1-NZ 3.15Å; H356-K358 VanDerWaalsContact C-N 3.29Å; H356-K358 PolarHBondContact O-N 2.74Å; K358-R362 WeakPolarHBondContact O-CB 3.43Å; K358-R362 VanDerWaalsContact O-CG 3.29Å; K358-R362 WeakPolarHBondContact O-CG 3.45Å; K358-R362 PolarHBondContact O-N 3.25Å; K358-W400 HydrophobicContact CB-CZ2 3.74Å; K358-W400 HydrophobicContact CD-CH2 3.79Å; K358-W400 HydrophobicContact CD-CZ2 3.62Å; K358-W400 HydrophobicContact CG-CZ2 4.22Å
359	D	91.3	Very high	94.7	Very high	23 Å²	23	61.8 Å²	61.8	12%	0.123	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-49.2	-179.9	-179.9	63.9	0	0	0	111.6	W290 N355 H356 F361 R362 R363	W290-D359 HydrophobicContact CZ2-CB 4.07Å; N355-D359 PolarHBondContact O-N 3.49Å; H356-D359 PolarHBondContact O-N 2.67Å; D359-F361 VanDerWaalsContact C-N 3.33Å; D359-F361 PolarHBondContact O-N 2.8Å; D359-R362 PolarHBondContact O-N 3.3Å; D359-R363 WeakPolarHBondContact O-CG 3.32Å; D359-R363 PolarHBondContact O-N 3.27Å; D359-R363 IonicContact OD1-CZ 3.53Å; D359-R363 IonicContact OD1-NE 3.41Å; D359-R363 PolarHBondContact OD1-NE 3.4Å; D359-R363 IonicContact OD1-NH2 3.12Å; D359-R363 PolarHBondContact OD1-NH2 3.49Å; D359-R363 VanDerWaalsContact OD1-NH2 3.17Å; D359-R363 IonicContact OD2-CZ 3.17Å; D359-R363 IonicContact OD2-NE 2.8Å; D359-R363 PolarHBondContact OD2-NE 3.34Å; D359-R363 IonicContact OD2-NH1 3.17Å; D359-R363 IonicContact OD2-NH2 2.74Å; D359-R363 PolarHBondContact OD2-NH2 3.47Å
360	L	93.4	Very high	94.6	Very high	54 Å²	54	55.9 Å²	55.9	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-57.4	-46.1	175.7	179.9	64.4	0	0	0	111.5	H356 R362 R363 T364 C368	H356-L360 VanDerWaalsContact O-CB 3.28Å; H356-L360 WeakPolarHBondContact O-CB 3.33Å; H356-L360 PolarHBondContact O-N 2.61Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-R362 PolarHBondContact O-N 2.85Å; L360-R363 PolarHBondContact O-N 2.83Å; L360-T364 HydrophobicContact CD1-CG2 3.93Å; L360-T364 WeakPolarHBondContact O-CB 3.29Å; L360-T364 WeakPolarHBondContact O-CG2 3.41Å; L360-T364 PolarHBondContact O-N 2.6Å; L360-T364 PolarHBondContact O-OG1 2.78Å; L360-C368 HydrophobicContact CD1-CB 4.38Å; L360-C368 HydrophobicContact CD2-CB 4.04Å; L360-C368 HydrophobicContact CG-CB 3.87Å
361	F	95.9	Very high	94.5	Very high	7 Å²	7	62 Å²	62	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-45.5	177.4	175.9	-104.5	0	0	0	112.2	Q357 D359 T364 D365 G366 P375 V377 K393 L395	Q357-F361 WeakPolarHBondContact O-CB 3.48Å; Q357-F361 PolarHBondContact O-N 2.97Å; D359-F361 VanDerWaalsContact C-N 3.33Å; D359-F361 PolarHBondContact O-N 2.8Å; F361-T364 PolarHBondContact O-OG1 3.01Å; F361-D365 PolarHBondContact O-N 3.31Å; F361-G366 VanDerWaalsContact CE2-CA 3.49Å; F361-G366 PolarHBondContact O-N 3.48Å; F361-P375 HydrophobicContact CD2-CB 4.23Å; F361-P375 HydrophobicContact CD2-CG 4.12Å; F361-P375 HydrophobicContact CE2-CB 4.21Å; F361-P375 HydrophobicContact CE2-CG 4.1Å; F361-V377 HydrophobicContact CE2-CG1 3.35Å; F361-V377 HydrophobicContact CZ-CB 4.29Å; F361-V377 HydrophobicContact CZ-CG1 3.46Å; F361-V377 VanDerWaalsContact CZ-CG1 3.46Å; F361-K393 HydrophobicContact CE1-CB 3.82Å; F361-K393 HydrophobicContact CZ-CB 3.56Å; F361-K393 HydrophobicContact CZ-CD 4.45Å; F361-L395 HydrophobicContact CB-CD2 4.16Å; F361-L395 HydrophobicContact CD1-CB 3.97Å; F361-L395 HydrophobicContact CD2-CD1 3.82Å; F361-L395 HydrophobicContact CE1-CB 4.01Å; F361-L395 HydrophobicContact CE2-CD1 4.01Å; F361-L395 HydrophobicContact CG-CB 4.23Å; F361-L395 HydrophobicContact CG-CD1 4.18Å; F361-L395 HydrophobicContact CG-CD2 4.23Å; F361-L395 HydrophobicContact CG-CG 4.45Å; F361-L395 HydrophobicContact CZ-CB 4.32Å
362	R	91.2	Very high	94.5	Very high	165 Å²	165	63.3 Å²	63.3	62%	0.623	30%	0.3	S	S	*	.	H	α-helix	trans	-68.5	-43.1	179.3	-74.5	175.2	176.5	-179.4	-1	112.4	K358 D359 L360 T364 D365	K358-R362 WeakPolarHBondContact O-CB 3.43Å; K358-R362 VanDerWaalsContact O-CG 3.29Å; K358-R362 WeakPolarHBondContact O-CG 3.45Å; K358-R362 PolarHBondContact O-N 3.25Å; D359-R362 PolarHBondContact O-N 3.3Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-R362 PolarHBondContact O-N 2.85Å; R362-T364 VanDerWaalsContact C-N 3.33Å; R362-T364 PolarHBondContact O-N 3.4Å; R362-D365 PolarHBondContact O-N 3.48Å
363	R	89.3	Confident	94.5	Very high	144 Å²	144	71 Å²	71	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-33.4	-179.3	-70.9	-178.5	-167.8	-164.1	9.4	113	D359 L360	D359-R363 WeakPolarHBondContact O-CG 3.32Å; D359-R363 PolarHBondContact O-N 3.27Å; D359-R363 IonicContact OD1-CZ 3.53Å; D359-R363 IonicContact OD1-NE 3.41Å; D359-R363 PolarHBondContact OD1-NE 3.4Å; D359-R363 IonicContact OD1-NH2 3.12Å; D359-R363 PolarHBondContact OD1-NH2 3.49Å; D359-R363 VanDerWaalsContact OD1-NH2 3.17Å; D359-R363 IonicContact OD2-CZ 3.17Å; D359-R363 IonicContact OD2-NE 2.8Å; D359-R363 PolarHBondContact OD2-NE 3.34Å; D359-R363 IonicContact OD2-NH1 3.17Å; D359-R363 IonicContact OD2-NH2 2.74Å; D359-R363 PolarHBondContact OD2-NH2 3.47Å; L360-R363 PolarHBondContact O-N 2.83Å
364	T	93.9	Very high	94.4	Very high	33 Å²	33	78 Å²	78	20%	0.202	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.7	-179.2	60.2	0	0	0	0	113.3	L360 F361 R362 G366 R367 C368	L360-T364 HydrophobicContact CD1-CG2 3.93Å; L360-T364 WeakPolarHBondContact O-CB 3.29Å; L360-T364 WeakPolarHBondContact O-CG2 3.41Å; L360-T364 PolarHBondContact O-N 2.6Å; L360-T364 PolarHBondContact O-OG1 2.78Å; F361-T364 PolarHBondContact O-OG1 3.01Å; R362-T364 VanDerWaalsContact C-N 3.33Å; R362-T364 PolarHBondContact O-N 3.4Å; T364-G366 PolarHBondContact O-N 3.04Å; T364-R367 VanDerWaalsContact O-CB 3.28Å; T364-R367 WeakPolarHBondContact O-CB 3.42Å; T364-R367 PolarHBondContact O-N 3.45Å; T364-R367 PolarHBondContact O-NE 3.49Å; T364-C368 HydrophobicContact CG2-CB 4.11Å; T364-C368 WeakPolarHBondContact OG1-CB 3.27Å
365	D	92.8	Very high	94.4	Very high	90 Å²	90	78.4 Å²	78.4	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	39.8	-172.1	-172.5	36	0	0	0	112.3	F361 R362 R367 K393	F361-D365 PolarHBondContact O-N 3.31Å; R362-D365 PolarHBondContact O-N 3.48Å; D365-R367 VanDerWaalsContact C-N 3.3Å; D365-R367 PolarHBondContact O-N 2.93Å; D365-K393 PolarHBondContact O-NZ 3.37Å; D365-K393 WeakPolarHBondContact OD1-CE 3.47Å; D365-K393 IonicContact OD1-NZ 2.61Å; D365-K393 PolarHBondContact OD1-NZ 3.35Å; D365-K393 IonicContact OD2-NZ 3.23Å; D365-K393 PolarHBondContact OD2-NZ 2.9Å
366	G	92.2	Very high	94.6	Very high	12 Å²	12	84.7 Å²	84.7	12%	0.124	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	1.8	-177.2	0	0	0	0	0	115.7	F361 T364 C368 P375	F361-G366 VanDerWaalsContact CE2-CA 3.49Å; F361-G366 PolarHBondContact O-N 3.48Å; T364-G366 PolarHBondContact O-N 3.04Å; G366-C368 PolarHBondContact O-N 3.5Å; G366-P375 WeakPolarHBondContact O-CG 3.49Å
367	R	94.2	Very high	94.7	Very high	210 Å²	210	83.1 Å²	83.1	79%	0.792	38%	0.383	S	S	*	.			trans	-84.4	53.4	174.9	-58.6	176.8	-68.3	170.2	-2.3	111.5	T364 D365	T364-R367 VanDerWaalsContact O-CB 3.28Å; T364-R367 WeakPolarHBondContact O-CB 3.42Å; T364-R367 PolarHBondContact O-N 3.45Å; T364-R367 PolarHBondContact O-NE 3.49Å; D365-R367 VanDerWaalsContact C-N 3.3Å; D365-R367 PolarHBondContact O-N 2.93Å
368	C	95.9	Very high	94.7	Very high	17 Å²	17	83.5 Å²	83.5	12%	0.115	39%	0.385	C	S	.	.	S	Bend	trans	-134.8	176.1	176.9	65.4	0	0	0	0	110.7	L360 T364 G366 P375	L360-C368 HydrophobicContact CD1-CB 4.38Å; L360-C368 HydrophobicContact CD2-CB 4.04Å; L360-C368 HydrophobicContact CG-CB 3.87Å; T364-C368 HydrophobicContact CG2-CB 4.11Å; T364-C368 WeakPolarHBondContact OG1-CB 3.27Å; G366-C368 PolarHBondContact O-N 3.5Å; C368-P375 WeakPolarHBondContact O-CD 3.47Å
369	L	97	Very high	94.7	Very high	114 Å²	114	87.4 Å²	87.4	60%	0.597	40%	0.404	S	S	*	.			trans	-106.6	134	169.1	-60.9	176.9	0	0	0	109.3	R373	L369-R373 CarbonylContact C-O 3.59Å; L369-R373 WeakPolarHBondContact CA-O 3.03Å
370	I	96.5	Very high	94.8	Very high	9 Å²	9	86.4 Å²	86.4	5%	0.046	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-116.7	117.5	172.6	-57.8	-63.3	0	0	0	106.9	Q357 G372 R373 P375 L395	Q357-I370 HydrophobicContact CB-CD1 4.09Å; Q357-I370 HydrophobicContact CG-CD1 4.06Å; Q357-I370 HydrophobicContact CG-CG2 4.18Å; I370-G372 VanDerWaalsContact C-N 3.27Å; I370-G372 PolarHBondContact O-N 2.96Å; I370-R373 PolarHBondContact N-O 3Å; I370-R373 PolarHBondContact O-N 2.79Å; I370-P375 HydrophobicContact CG1-CB 3.96Å; I370-L395 HydrophobicContact CG1-CD1 4.37Å
371	W	96.2	Very high	94.6	Very high	146 Å²	146	85.4 Å²	85.4	55%	0.553	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	47	-170.5	-64.3	-19.7	0	0	0	112.9	Q357 R373 F399 V402	Q357-W371 VanDerWaalsContact NE2-NE1 3.12Å; W371-R373 PolarHBondContact O-N 2.92Å; W371-F399 HydrophobicContact CH2-CD1 4.24Å; W371-F399 HydrophobicContact CH2-CE1 4.4Å; W371-F399 AromaticContact CZ2-CD1 3.94Å; W371-F399 HydrophobicContact CZ2-CD1 3.94Å; W371-F399 HydrophobicContact CZ2-CD2 4.01Å; W371-F399 AromaticContact CZ2-CE1 3.91Å; W371-F399 HydrophobicContact CZ2-CE1 3.91Å; W371-F399 AromaticContact CZ2-CE2 3.96Å; W371-F399 HydrophobicContact CZ2-CE2 3.96Å; W371-F399 HydrophobicContact CZ2-CG 4.02Å; W371-F399 AromaticContact CZ2-CZ 3.93Å; W371-F399 HydrophobicContact CZ2-CZ 3.93Å; W371-V402 HydrophobicContact CH2-CG2 4.2Å
372	G	95.6	Very high	94.2	Very high	63 Å²	63	87.6 Å²	87.6	65%	0.649	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	3	176.2	0	0	0	0	0	115.5	I370	I370-G372 VanDerWaalsContact C-N 3.27Å; I370-G372 PolarHBondContact O-N 2.96Å
373	R	96.1	Very high	93.8	Very high	200 Å²	200	84.4 Å²	84.4	76%	0.755	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-123.4	154.6	-177.6	-59.2	-177.4	-174.8	-148.6	1.2	111.3	L369 I370 W371	L369-R373 CarbonylContact C-O 3.59Å; L369-R373 WeakPolarHBondContact CA-O 3.03Å; I370-R373 PolarHBondContact N-O 3Å; I370-R373 PolarHBondContact O-N 2.79Å; W371-R373 PolarHBondContact O-N 2.92Å
374	K	96.4	Very high	93.3	Very high	177 Å²	177	79 Å²	79	77%	0.77	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-58.9	129.4	169.8	-175.3	176.7	177.3	179	0	108.8
375	P	97.1	Very high	92.1	Very high	11 Å²	11	80.9 Å²	80.9	7%	0.071	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-63.5	141.7	-175.5	23.6	-34	0	0	0	111.5	F361 G366 C368 I370 V377 L395 S397	F361-P375 HydrophobicContact CD2-CB 4.23Å; F361-P375 HydrophobicContact CD2-CG 4.12Å; F361-P375 HydrophobicContact CE2-CB 4.21Å; F361-P375 HydrophobicContact CE2-CG 4.1Å; G366-P375 WeakPolarHBondContact O-CG 3.49Å; C368-P375 WeakPolarHBondContact O-CD 3.47Å; I370-P375 HydrophobicContact CG1-CB 3.96Å; P375-V377 HydrophobicContact CB-CG1 4.33Å; P375-L395 HydrophobicContact CB-CD1 3.57Å; P375-S397 WeakPolarHBondContact CA-OG 3.26Å
376	K	96.8	Very high	91.2	Very high	151 Å²	151	81.7 Å²	81.7	66%	0.657	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-79.7	133	165.6	-65.3	-176.8	-179.7	-179.1	0	108.4	V396 S397	K376-V396 HydrophobicContact CB-CB 4.27Å; K376-V396 PolarHBondContact O-N 3.41Å; K376-S397 PolarHBondContact N-OG 3.45Å
377	V	96.6	Very high	90.6	Very high	58 Å²	58	83.7 Å²	83.7	35%	0.352	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.9	-173.2	-54.7	0	0	0	0	111.6	F361 P375 L394	F361-V377 HydrophobicContact CE2-CG1 3.35Å; F361-V377 HydrophobicContact CZ-CB 4.29Å; F361-V377 HydrophobicContact CZ-CG1 3.46Å; F361-V377 VanDerWaalsContact CZ-CG1 3.46Å; P375-V377 HydrophobicContact CB-CG1 4.33Å; V377-L394 CarbonylContact C-O 3.59Å; V377-L394 VanDerWaalsContact CA-O 3.28Å; V377-L394 WeakPolarHBondContact CA-O 3.41Å
378	I	96	Very high	90.1	Very high	17 Å²	17	79.2 Å²	79.2	9%	0.087	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.6	162.1	-66.5	168	0	0	0	106.5	C380 K393 L394 V396 D458 R461 Y462 A465	I378-C380 PolarHBondContact O-SG 3.38Å; I378-K393 CarbonylContact O-C 3.12Å; I378-K393 WeakPolarHBondContact O-CA 3.39Å; I378-L394 HydrophobicContact CB-CB 4.41Å; I378-L394 PolarHBondContact N-O 2.94Å; I378-L394 PolarHBondContact O-N 3.04Å; I378-V396 HydrophobicContact CD1-CG2 3.8Å; I378-V396 HydrophobicContact CG1-CG2 3.86Å; I378-D458 HydrophobicContact CG2-CB 4.36Å; I378-R461 HydrophobicContact CD1-CB 4.13Å; I378-Y462 VanDerWaalsContact CD1-CA 3.49Å; I378-Y462 HydrophobicContact CD1-CD2 4.33Å; I378-A465 HydrophobicContact CD1-CB 4.46Å
379	E	94.8	Very high	89.7	Confident	134 Å²	134	86.5 Å²	86.5	63%	0.626	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.7	172	-61.4	-169.6	163.5	0	0	109.2	K393	E379-K393 HydrophobicContact CG-CG 4.48Å
380	C	93.1	Very high	89.2	Confident	3 Å²	3	84 Å²	84	2%	0.02	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.2	-177.1	-45.5	0	0	0	0	109.8	I378 H391 S392 L394 Y455 D458	I378-C380 PolarHBondContact O-SG 3.38Å; C380-H391 WeakPolarHBondContact O-CA 3.26Å; C380-S392 PolarHBondContact N-O 3.26Å; C380-S392 PolarHBondContact O-N 2.94Å; C380-S392 VanDerWaalsContact O-O 3.14Å; C380-L394 WeakPolarHBondContact SG-CD1 3.32Å; C380-L394 VanDerWaalsContact SG-CG 3.53Å; C380-Y455 HydrophobicContact CB-CD1 3.69Å; C380-Y455 HydrophobicContact CB-CE1 4.23Å; C380-Y455 HydrophobicContact CB-CG 4.34Å; C380-D458 WeakPolarHBondContact CA-OD2 3.49Å; C380-D458 HydrophobicContact CB-CB 3.88Å; C380-D458 VanDerWaalsContact SG-CB 3.57Å
381	S	89.7	Confident	88.9	Confident	33 Å²	33	90.8 Å²	90.8	23%	0.231	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.7	165.5	68.1	0	0	0	0	110.4	R389 H390	S381-R389 PolarHBondContact OG-NE 3.45Å; S381-R389 PolarHBondContact OG-NH2 3.38Å; S381-H390 VanDerWaalsContact CA-O 3.27Å; S381-H390 WeakPolarHBondContact CA-O 3.18Å
382	Y	87.1	Confident	88.7	Confident	53 Å²	53	85.4 Å²	85.4	21%	0.208	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.4	175.9	69	-83.3	0	0	0	110	H390 K454 Y455	Y382-H390 HydrophobicContact CD1-CB 3.94Å; Y382-H390 HydrophobicContact CD2-CB 4.31Å; Y382-H390 HydrophobicContact CE1-CB 3.42Å; Y382-H390 VanDerWaalsContact CE1-CB 3.42Å; Y382-H390 HydrophobicContact CE2-CB 3.84Å; Y382-H390 HydrophobicContact CG-CB 4.36Å; Y382-H390 AromaticContact CZ-CG 3.87Å; Y382-H390 PolarHBondContact N-O 2.97Å; Y382-H390 PolarHBondContact O-N 3.11Å; Y382-K454 WeakPolarHBondContact CB-O 3.13Å; Y382-K454 HydrophobicContact CD2-CD 4.29Å; Y382-K454 HydrophobicContact CD2-CG 3.97Å; Y382-K454 VanDerWaalsContact CE1-CE 3.4Å; Y382-K454 HydrophobicContact CE2-CD 4.46Å; Y382-K454 HydrophobicContact CG-CD 4.36Å; Y382-K454 VanDerWaalsContact CG-CE 3.44Å; Y382-K454 HydrophobicContact CG-CG 3.89Å; Y382-K454 VanDerWaalsContact CZ-NZ 3.28Å; Y382-K454 PolarHBondContact OH-NZ 2.79Å; Y382-Y455 HydrophobicContact CD1-CD1 4.21Å; Y382-Y455 AromaticContact CD1-CE1 3.73Å; Y382-Y455 HydrophobicContact CD1-CE1 3.73Å; Y382-Y455 HydrophobicContact CE1-CE1 4.24Å; Y382-Y455 HydrophobicContact CG-CE1 4.38Å
383	T	83.4	Confident	88.7	Confident	97 Å²	97	85 Å²	85	60%	0.595	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	127.2	175.5	-54.1	0	0	0	0	108.7	Q388	T383-Q388 CarbonylContact C-O 3.59Å; T383-Q388 WeakPolarHBondContact CA-O 3.34Å
384	S	77.1	Confident	88.6	Confident	31 Å²	31	76.4 Å²	76.4	22%	0.217	40%	0.395	C	S	.	.			trans	-77.9	168.8	174.4	40.7	0	0	0	0	111.6	D386 G387 Q388 H390	S384-D386 VanDerWaalsContact CB-OD1 3.28Å; S384-D386 WeakPolarHBondContact CB-OD1 3.13Å; S384-D386 PolarHBondContact O-N 3.37Å; S384-D386 VanDerWaalsContact O-N 3.12Å; S384-D386 PolarHBondContact OG-OD1 3.24Å; S384-G387 PolarHBondContact O-N 3.34Å; S384-Q388 PolarHBondContact N-O 3.18Å; S384-Q388 PolarHBondContact OG-O 2.85Å; S384-Q388 VanDerWaalsContact OG-O 3.05Å; S384-H390 PolarHBondContact OG-CD2 3.21Å; S384-H390 PolarHBondContact OG-NE2 2.92Å
385	A	69.5	Low	88.6	Confident	73 Å²	73	68.5 Å²	68.5	60%	0.603	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	-177.6	0	0	0	0	0	114	G387	A385-G387 VanDerWaalsContact C-N 3.29Å
386	D	74.2	Confident	88.6	Confident	107 Å²	107	69 Å²	69	57%	0.572	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	1	173.8	65	-4.4	0	0	0	113.8	S384 Q388	S384-D386 VanDerWaalsContact CB-OD1 3.28Å; S384-D386 WeakPolarHBondContact CB-OD1 3.13Å; S384-D386 PolarHBondContact O-N 3.37Å; S384-D386 VanDerWaalsContact O-N 3.12Å; S384-D386 PolarHBondContact OG-OD1 3.24Å; D386-Q388 VanDerWaalsContact C-N 3.33Å; D386-Q388 WeakPolarHBondContact OD1-CB 3.46Å; D386-Q388 PolarHBondContact OD1-N 2.84Å
387	G	79.7	Confident	88.6	Confident	54 Å²	54	62.8 Å²	62.8	56%	0.557	34%	0.34	S	S	*	.	S	Bend	trans	83.5	-0	-178.8	0	0	0	0	0	114.8	S384 A385	S384-G387 PolarHBondContact O-N 3.34Å; A385-G387 VanDerWaalsContact C-N 3.29Å
388	Q	83.1	Confident	88.7	Confident	115 Å²	115	60.4 Å²	60.4	54%	0.537	33%	0.327	S	S	.	.			trans	-75	137.8	177.7	-64.8	-168.3	9.5	0	0	111.5	T383 S384 D386 H390	T383-Q388 CarbonylContact C-O 3.59Å; T383-Q388 WeakPolarHBondContact CA-O 3.34Å; S384-Q388 PolarHBondContact N-O 3.18Å; S384-Q388 PolarHBondContact OG-O 2.85Å; S384-Q388 VanDerWaalsContact OG-O 3.05Å; D386-Q388 VanDerWaalsContact C-N 3.33Å; D386-Q388 WeakPolarHBondContact OD1-CB 3.46Å; D386-Q388 PolarHBondContact OD1-N 2.84Å; Q388-H390 PolarHBondContact O-CD2 3.28Å; Q388-H390 VanDerWaalsContact O-CD2 3.28Å
389	R	87.1	Confident	88.7	Confident	170 Å²	170	60.6 Å²	60.6	64%	0.642	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.8	174.8	-167.1	176	-179.6	-176.4	-2.1	109.5	S381	S381-R389 PolarHBondContact OG-NE 3.45Å; S381-R389 PolarHBondContact OG-NH2 3.38Å
390	H	87	Confident	88.9	Confident	61 Å²	61	55.4 Å²	55.4	28%	0.282	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.6	179.2	-67.4	-88.3	0	0	0	110.4	S381 Y382 S384 Q388	S381-H390 VanDerWaalsContact CA-O 3.27Å; S381-H390 WeakPolarHBondContact CA-O 3.18Å; Y382-H390 HydrophobicContact CD1-CB 3.94Å; Y382-H390 HydrophobicContact CD2-CB 4.31Å; Y382-H390 HydrophobicContact CE1-CB 3.42Å; Y382-H390 VanDerWaalsContact CE1-CB 3.42Å; Y382-H390 HydrophobicContact CE2-CB 3.84Å; Y382-H390 HydrophobicContact CG-CB 4.36Å; Y382-H390 AromaticContact CZ-CG 3.87Å; Y382-H390 PolarHBondContact N-O 2.97Å; Y382-H390 PolarHBondContact O-N 3.11Å; S384-H390 PolarHBondContact OG-CD2 3.21Å; S384-H390 PolarHBondContact OG-NE2 2.92Å; Q388-H390 PolarHBondContact O-CD2 3.28Å; Q388-H390 VanDerWaalsContact O-CD2 3.28Å
391	H	90.9	Very high	89	Confident	153 Å²	153	56.7 Å²	56.7	71%	0.708	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.7	171.1	-65.5	-80.5	0	0	0	109.7	C380	C380-H391 WeakPolarHBondContact O-CA 3.26Å
392	S	91.9	Very high	89.4	Confident	32 Å²	32	57.6 Å²	57.6	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	164.2	178.2	-175	0	0	0	0	109.6	C380	C380-S392 PolarHBondContact N-O 3.26Å; C380-S392 PolarHBondContact O-N 2.94Å; C380-S392 VanDerWaalsContact O-O 3.14Å
393	K	94.3	Very high	89.9	Confident	54 Å²	54	55 Å²	55	24%	0.235	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.1	174.6	-60.4	171.1	176.3	151.7	0	109.5	F361 D365 I378 E379	F361-K393 HydrophobicContact CE1-CB 3.82Å; F361-K393 HydrophobicContact CZ-CB 3.56Å; F361-K393 HydrophobicContact CZ-CD 4.45Å; D365-K393 PolarHBondContact O-NZ 3.37Å; D365-K393 WeakPolarHBondContact OD1-CE 3.47Å; D365-K393 IonicContact OD1-NZ 2.61Å; D365-K393 PolarHBondContact OD1-NZ 3.35Å; D365-K393 IonicContact OD2-NZ 3.23Å; D365-K393 PolarHBondContact OD2-NZ 2.9Å; I378-K393 CarbonylContact O-C 3.12Å; I378-K393 WeakPolarHBondContact O-CA 3.39Å; E379-K393 HydrophobicContact CG-CG 4.48Å
394	L	95.4	Very high	90.5	Very high	20 Å²	20	51.1 Å²	51.1	11%	0.105	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	172.1	-63.7	176.7	0	0	0	109.5	V377 I378 C380 Y455 W459 Y462	V377-L394 CarbonylContact C-O 3.59Å; V377-L394 VanDerWaalsContact CA-O 3.28Å; V377-L394 WeakPolarHBondContact CA-O 3.41Å; I378-L394 HydrophobicContact CB-CB 4.41Å; I378-L394 PolarHBondContact N-O 2.94Å; I378-L394 PolarHBondContact O-N 3.04Å; C380-L394 WeakPolarHBondContact SG-CD1 3.32Å; C380-L394 VanDerWaalsContact SG-CG 3.53Å; L394-Y455 HydrophobicContact CD1-CD2 4.26Å; L394-Y455 HydrophobicContact CD2-CD2 4.32Å; L394-Y455 HydrophobicContact CD2-CE2 3.89Å; L394-W459 HydrophobicContact CD1-CE3 3.92Å; L394-W459 HydrophobicContact CD1-CZ3 4.27Å; L394-Y462 HydrophobicContact CB-CD2 3.97Å; L394-Y462 HydrophobicContact CB-CE2 4.4Å; L394-Y462 HydrophobicContact CB-CG 4.43Å; L394-Y462 HydrophobicContact CD1-CD2 4.35Å; L394-Y462 HydrophobicContact CD1-CG 3.98Å
395	L	96.7	Very high	91.5	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.1	-176	178.8	62.5	0	0	0	110.8	Q357 F361 I370 P375 S397 W400 Y462	Q357-L395 HydrophobicContact CB-CD2 4.42Å; F361-L395 HydrophobicContact CB-CD2 4.16Å; F361-L395 HydrophobicContact CD1-CB 3.97Å; F361-L395 HydrophobicContact CD2-CD1 3.82Å; F361-L395 HydrophobicContact CE1-CB 4.01Å; F361-L395 HydrophobicContact CE2-CD1 4.01Å; F361-L395 HydrophobicContact CG-CB 4.23Å; F361-L395 HydrophobicContact CG-CD1 4.18Å; F361-L395 HydrophobicContact CG-CD2 4.23Å; F361-L395 HydrophobicContact CG-CG 4.45Å; F361-L395 HydrophobicContact CZ-CB 4.32Å; I370-L395 HydrophobicContact CG1-CD1 4.37Å; P375-L395 HydrophobicContact CB-CD1 3.57Å; L395-S397 VanDerWaalsContact CD1-OG 3.23Å; L395-S397 WeakPolarHBondContact CD1-OG 3.33Å; L395-W400 HydrophobicContact CB-CB 4.35Å; L395-W400 HydrophobicContact CD2-CB 4.19Å; L395-W400 HydrophobicContact CD2-CG 4.06Å; L395-W400 HydrophobicContact CG-CB 4.12Å; L395-W400 HydrophobicContact CG-CG 4.48Å; L395-W400 WeakPolarHBondContact O-CB 2.71Å; L395-Y462 WeakPolarHBondContact O-CE2 3.37Å
396	V	96.9	Very high	92.8	Very high	23 Å²	23	47.8 Å²	47.8	14%	0.139	25%	0.252	C	S	.	.			trans	-114.5	30.7	-177.7	-167.7	0	0	0	0	110.7	K376 I378 Y462 A465 V466	K376-V396 HydrophobicContact CB-CB 4.27Å; K376-V396 PolarHBondContact O-N 3.41Å; I378-V396 HydrophobicContact CD1-CG2 3.8Å; I378-V396 HydrophobicContact CG1-CG2 3.86Å; V396-Y462 HydrophobicContact CG2-CD2 3.81Å; V396-Y462 HydrophobicContact CG2-CE2 3.97Å; V396-A465 HydrophobicContact CG1-CB 3.68Å; V396-V466 HydrophobicContact CG1-CG2 3.75Å
397	S	96.8	Very high	93.8	Very high	20 Å²	20	43 Å²	43	14%	0.14	23%	0.226	C	C	.	.	S	Bend	trans	-147.9	167.1	-178.4	58.3	0	0	0	0	111	P375 K376 L395 G401	P375-S397 WeakPolarHBondContact CA-OG 3.26Å; K376-S397 PolarHBondContact N-OG 3.45Å; L395-S397 VanDerWaalsContact CD1-OG 3.23Å; L395-S397 WeakPolarHBondContact CD1-OG 3.33Å; S397-G401 PolarHBondContact O-N 2.94Å
398	G	97.3	Very high	94.7	Very high	8 Å²	8	41.8 Å²	41.8	8%	0.082	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-147.7	-167.7	0	0	0	0	0	110.9	W400 G401 V402	G398-W400 PolarHBondContact O-N 3.3Å; G398-G401 PolarHBondContact O-N 3.48Å; G398-V402 PolarHBondContact O-N 3.26Å
399	F	97.6	Very high	95.4	Very high	20 Å²	20	36.8 Å²	36.8	9%	0.088	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-32.5	178.4	-74	-62.2	0	0	0	112.8	Y349 I350 V353 A354 W371 G401 V402 A403 F406	Y349-F399 HydrophobicContact CE1-CZ 4.44Å; I350-F399 HydrophobicContact CG1-CE1 4.22Å; I350-F399 HydrophobicContact CG1-CZ 4.09Å; I350-F399 HydrophobicContact CG2-CE1 4.25Å; I350-F399 HydrophobicContact CG2-CZ 4.48Å; V353-F399 HydrophobicContact CB-CD2 4.41Å; V353-F399 HydrophobicContact CB-CE2 3.89Å; V353-F399 HydrophobicContact CG1-CD2 4.06Å; V353-F399 HydrophobicContact CG1-CE2 3.66Å; A354-F399 HydrophobicContact CB-CB 3.78Å; A354-F399 HydrophobicContact CB-CD2 3.96Å; A354-F399 HydrophobicContact CB-CG 4.08Å; W371-F399 HydrophobicContact CH2-CD1 4.24Å; W371-F399 HydrophobicContact CH2-CE1 4.4Å; W371-F399 AromaticContact CZ2-CD1 3.94Å; W371-F399 HydrophobicContact CZ2-CD1 3.94Å; W371-F399 HydrophobicContact CZ2-CD2 4.01Å; W371-F399 AromaticContact CZ2-CE1 3.91Å; W371-F399 HydrophobicContact CZ2-CE1 3.91Å; W371-F399 AromaticContact CZ2-CE2 3.96Å; W371-F399 HydrophobicContact CZ2-CE2 3.96Å; W371-F399 HydrophobicContact CZ2-CG 4.02Å; W371-F399 AromaticContact CZ2-CZ 3.93Å; W371-F399 HydrophobicContact CZ2-CZ 3.93Å; F399-G401 PolarHBondContact O-N 2.87Å; F399-V402 WeakPolarHBondContact O-CB 2.82Å; F399-V402 PolarHBondContact O-N 3.18Å; F399-A403 PolarHBondContact O-N 2.88Å; F399-A403 VanDerWaalsContact O-N 3.15Å; F399-A403 VanDerWaalsContact O-O 3.08Å; F399-F406 HydrophobicContact CB-CB 4.21Å; F399-F406 HydrophobicContact CB-CD1 4.18Å; F399-F406 AromaticContact CD1-CD1 3.19Å; F399-F406 HydrophobicContact CD1-CD1 3.19Å; F399-F406 AromaticContact CD1-CE1 3.46Å; F399-F406 HydrophobicContact CD1-CE1 3.46Å; F399-F406 VanDerWaalsContact CD1-CE1 3.46Å; F399-F406 HydrophobicContact CD1-CG 4.14Å; F399-F406 AromaticContact CE1-CD1 3.77Å; F399-F406 HydrophobicContact CE1-CD1 3.77Å; F399-F406 AromaticContact CE1-CE1 3.56Å; F399-F406 HydrophobicContact CE1-CE1 3.56Å; F399-F406 AromaticContact CG-CD1 3.98Å; F399-F406 HydrophobicContact CG-CD1 3.98Å
400	W	97.3	Very high	95.9	Very high	26 Å²	26	28.8 Å²	28.8	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-71.9	-11.5	176	-58.5	89.9	0	0	0	113.9	A354 K358 L395 G398 R404 Y462 V466	A354-W400 PolarHBondContact O-NE1 2.87Å; K358-W400 HydrophobicContact CB-CZ2 3.74Å; K358-W400 HydrophobicContact CD-CH2 3.79Å; K358-W400 HydrophobicContact CD-CZ2 3.62Å; K358-W400 HydrophobicContact CG-CZ2 4.22Å; L395-W400 HydrophobicContact CB-CB 4.35Å; L395-W400 HydrophobicContact CD2-CB 4.19Å; L395-W400 HydrophobicContact CD2-CG 4.06Å; L395-W400 HydrophobicContact CG-CB 4.12Å; L395-W400 HydrophobicContact CG-CG 4.48Å; L395-W400 WeakPolarHBondContact O-CB 2.71Å; G398-W400 PolarHBondContact O-N 3.3Å; W400-R404 WeakPolarHBondContact CZ3-O 3.46Å; W400-Y462 PolarHBondContact O-OH 2.87Å; W400-V466 WeakPolarHBondContact O-CG2 3.46Å
401	G	96.9	Very high	96.3	Very high	29 Å²	29	26.4 Å²	26.4	30%	0.299	14%	0.142	S	C	.	.	H	α-helix	trans	-94.1	-12	168.5	0	0	0	0	0	113.6	S397 G398 F399	S397-G401 PolarHBondContact O-N 2.94Å; G398-G401 PolarHBondContact O-N 3.48Å; F399-G401 PolarHBondContact O-N 2.87Å
402	V	97.1	Very high	96.7	Very high	52 Å²	52	20.8 Å²	20.8	32%	0.315	12%	0.117	S	C	.	.	H	α-helix	trans	-86.8	-50.4	176.4	174.9	0	0	0	0	110.1	W371 G398 F399 F406 P472	W371-V402 HydrophobicContact CH2-CG2 4.2Å; G398-V402 PolarHBondContact O-N 3.26Å; F399-V402 WeakPolarHBondContact O-CB 2.82Å; F399-V402 PolarHBondContact O-N 3.18Å; V402-F406 HydrophobicContact CB-CD2 4.39Å; V402-F406 HydrophobicContact CG1-CD2 3.8Å; V402-F406 HydrophobicContact CG1-CE2 3.72Å; V402-F406 HydrophobicContact CG1-CG 4.48Å; V402-F406 HydrophobicContact CG1-CZ 4.33Å; V402-P472 HydrophobicContact CG1-CG 3.49Å; V402-P472 VanDerWaalsContact CG1-CG 3.49Å
403	A	97.5	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.			trans	-150.1	153.3	170.9	0	0	0	0	0	110.2	F399 H405 F406 Y468 L470 P472	F399-A403 PolarHBondContact O-N 2.88Å; F399-A403 VanDerWaalsContact O-N 3.15Å; F399-A403 VanDerWaalsContact O-O 3.08Å; A403-H405 PolarHBondContact O-N 3.31Å; A403-F406 HydrophobicContact CB-CB 4.12Å; A403-F406 HydrophobicContact CB-CD2 3.86Å; A403-F406 HydrophobicContact CB-CG 4.49Å; A403-F406 PolarHBondContact O-N 3.41Å; A403-Y468 CarbonylContact C-O 3.57Å; A403-Y468 WeakPolarHBondContact CA-O 3.34Å; A403-L470 VanDerWaalsContact CB-O 3.26Å; A403-L470 WeakPolarHBondContact CB-O 3.43Å; A403-P472 HydrophobicContact CB-CG 4.5Å
404	R	97.2	Very high	97.2	Very high	15 Å²	15	19 Å²	19	6%	0.057	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.8	-175.5	-62.3	-170.2	-63.9	-91.2	5.7	113.2	W400 E448 Y462 V466 P467 Y468	W400-R404 WeakPolarHBondContact CZ3-O 3.46Å; R404-E448 IonicContact CZ-OE1 2.68Å; R404-E448 IonicContact NE-OE1 2.8Å; R404-E448 PolarHBondContact NE-OE1 3.19Å; R404-E448 IonicContact NH2-OE1 2.81Å; R404-E448 PolarHBondContact NH2-OE1 2.93Å; R404-E448 IonicContact NH2-OE2 2.75Å; R404-E448 PolarHBondContact NH2-OE2 3.26Å; R404-Y462 HydrophobicContact CB-CE1 4.12Å; R404-Y462 HydrophobicContact CG-CD1 4.32Å; R404-Y462 HydrophobicContact CG-CE1 3.55Å; R404-V466 WeakPolarHBondContact CD-O 3.33Å; R404-V466 HydrophobicContact CG-CB 3.95Å; R404-V466 HydrophobicContact CG-CG1 3.75Å; R404-V466 WeakPolarHBondContact CG-O 3.36Å; R404-V466 PolarHBondContact NH1-O 3.41Å; R404-P467 PolarHBondContact NH1-O 3.5Å; R404-Y468 PolarHBondContact N-O 3.41Å
405	H	96.4	Very high	97.3	Very high	3 Å²	3	18 Å²	18	1%	0.014	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	40.7	179	-62.7	-87.7	0	0	0	112.4	A403 N407 Y408 C444 D447 R469 L470	A403-H405 PolarHBondContact O-N 3.31Å; H405-N407 VanDerWaalsContact C-OD1 3.28Å; H405-N407 WeakPolarHBondContact CA-OD1 3.45Å; H405-N407 PolarHBondContact O-N 2.86Å; H405-N407 PolarHBondContact O-OD1 2.79Å; H405-Y408 HydrophobicContact CB-CD2 3.62Å; H405-Y408 HydrophobicContact CB-CE2 4.05Å; H405-Y408 HydrophobicContact CB-CG 4.11Å; H405-Y408 AromaticContact CG-CE2 3.98Å; H405-Y408 AromaticContact ND1-CE2 3.52Å; H405-Y408 WeakPolarHBondContact O-CB 3.35Å; H405-Y408 PolarHBondContact O-N 3.45Å; H405-C444 PolarHBondContact CD2-SG 3.38Å; H405-D447 IonicContact CE1-OD2 2.89Å; H405-D447 PolarHBondContact CE1-OD2 3.19Å; H405-D447 VanDerWaalsContact CE1-OD2 3.25Å; H405-R469 WeakPolarHBondContact CA-O 3.35Å; H405-R469 WeakPolarHBondContact CB-O 3.12Å; H405-R469 PolarHBondContact N-O 2.92Å; H405-L470 HydrophobicContact CB-CD2 3.83Å
406	F	97.2	Very high	97.4	Very high	30 Å²	30	20.6 Å²	20.6	13%	0.132	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-20.6	-178	-156.2	-97	0	0	0	113.6	I350 F399 V402 A403 Y408 V409 G410 P472	I350-F406 HydrophobicContact CD1-CE1 4.21Å; I350-F406 HydrophobicContact CG1-CE1 4.44Å; I350-F406 HydrophobicContact CG2-CD1 3.47Å; I350-F406 VanDerWaalsContact CG2-CD1 3.47Å; I350-F406 HydrophobicContact CG2-CE1 3.5Å; F399-F406 HydrophobicContact CB-CB 4.21Å; F399-F406 HydrophobicContact CB-CD1 4.18Å; F399-F406 AromaticContact CD1-CD1 3.19Å; F399-F406 HydrophobicContact CD1-CD1 3.19Å; F399-F406 AromaticContact CD1-CE1 3.46Å; F399-F406 HydrophobicContact CD1-CE1 3.46Å; F399-F406 VanDerWaalsContact CD1-CE1 3.46Å; F399-F406 HydrophobicContact CD1-CG 4.14Å; F399-F406 AromaticContact CE1-CD1 3.77Å; F399-F406 HydrophobicContact CE1-CD1 3.77Å; F399-F406 AromaticContact CE1-CE1 3.56Å; F399-F406 HydrophobicContact CE1-CE1 3.56Å; F399-F406 AromaticContact CG-CD1 3.98Å; F399-F406 HydrophobicContact CG-CD1 3.98Å; V402-F406 HydrophobicContact CB-CD2 4.39Å; V402-F406 HydrophobicContact CG1-CD2 3.8Å; V402-F406 HydrophobicContact CG1-CE2 3.72Å; V402-F406 HydrophobicContact CG1-CG 4.48Å; V402-F406 HydrophobicContact CG1-CZ 4.33Å; A403-F406 HydrophobicContact CB-CB 4.12Å; A403-F406 HydrophobicContact CB-CD2 3.86Å; A403-F406 HydrophobicContact CB-CG 4.49Å; A403-F406 PolarHBondContact O-N 3.41Å; F406-Y408 PolarHBondContact O-N 3.38Å; F406-V409 HydrophobicContact CD2-CB 4.45Å; F406-V409 HydrophobicContact CD2-CG2 4.09Å; F406-V409 HydrophobicContact CE2-CG2 4.35Å; F406-V409 WeakPolarHBondContact O-CB 3.44Å; F406-V409 PolarHBondContact O-N 3.47Å; F406-V409 VanDerWaalsContact O-N 3.15Å; F406-G410 PolarHBondContact O-N 2.92Å; F406-P472 HydrophobicContact CD2-CG 4.47Å; F406-P472 HydrophobicContact CE2-CG 4.11Å
407	N	96.5	Very high	97.5	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.032	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-35.6	168.7	62.8	-53.7	0	0	0	112.4	F351 A354 H405 V409 G410 D411	F351-N407 WeakPolarHBondContact CD2-O 3.41Å; A354-N407 HydrophobicContact CB-CB 3.72Å; H405-N407 VanDerWaalsContact C-OD1 3.28Å; H405-N407 WeakPolarHBondContact CA-OD1 3.45Å; H405-N407 PolarHBondContact O-N 2.86Å; H405-N407 PolarHBondContact O-OD1 2.79Å; N407-V409 VanDerWaalsContact C-N 3.32Å; N407-G410 PolarHBondContact O-N 3.48Å; N407-D411 PolarHBondContact O-N 3.19Å
408	Y	96.9	Very high	97.6	Very high	29 Å²	29	18.9 Å²	18.9	11%	0.114	10%	0.104	C	C	.	.	H	α-helix	trans	-70.6	-27.8	176.6	-64	-13	0	0	0	112.4	H405 F406 G410 D411 L412 L440 R443 C444 L470	H405-Y408 HydrophobicContact CB-CD2 3.62Å; H405-Y408 HydrophobicContact CB-CE2 4.05Å; H405-Y408 HydrophobicContact CB-CG 4.11Å; H405-Y408 AromaticContact CG-CE2 3.98Å; H405-Y408 AromaticContact ND1-CE2 3.52Å; H405-Y408 WeakPolarHBondContact O-CB 3.35Å; H405-Y408 PolarHBondContact O-N 3.45Å; F406-Y408 PolarHBondContact O-N 3.38Å; Y408-G410 VanDerWaalsContact C-N 3.33Å; Y408-D411 WeakPolarHBondContact O-CB 3.18Å; Y408-D411 PolarHBondContact O-N 3.32Å; Y408-L412 WeakPolarHBondContact O-CG 3.3Å; Y408-L412 PolarHBondContact O-N 3.01Å; Y408-L440 HydrophobicContact CD1-CD2 3.88Å; Y408-L440 HydrophobicContact CD2-CB 4.26Å; Y408-L440 HydrophobicContact CD2-CD2 4.22Å; Y408-L440 HydrophobicContact CE1-CD2 4.16Å; Y408-L440 HydrophobicContact CE2-CD2 4.49Å; Y408-L440 HydrophobicContact CG-CB 4.38Å; Y408-L440 HydrophobicContact CG-CD2 3.93Å; Y408-R443 HydrophobicContact CE2-CG 4.39Å; Y408-R443 WeakPolarHBondContact OH-CD 3.39Å; Y408-C444 HydrophobicContact CD2-CB 4.45Å; Y408-C444 HydrophobicContact CE2-CB 4.33Å; Y408-L470 HydrophobicContact CD2-CD2 4.04Å; Y408-L470 HydrophobicContact CG-CD2 4.33Å
409	V	97.6	Very high	97.6	Very high	11 Å²	11	18.5 Å²	18.5	7%	0.067	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-44.5	170.5	179.7	0	0	0	0	110.3	F406 N407 D411 L412 M413 L470 L471	F406-V409 HydrophobicContact CD2-CB 4.45Å; F406-V409 HydrophobicContact CD2-CG2 4.09Å; F406-V409 HydrophobicContact CE2-CG2 4.35Å; F406-V409 WeakPolarHBondContact O-CB 3.44Å; F406-V409 PolarHBondContact O-N 3.47Å; F406-V409 VanDerWaalsContact O-N 3.15Å; N407-V409 VanDerWaalsContact C-N 3.32Å; V409-D411 VanDerWaalsContact C-N 3.28Å; V409-D411 PolarHBondContact O-N 3.08Å; V409-L412 PolarHBondContact O-N 3.27Å; V409-M413 HydrophobicContact CG1-CG 4.49Å; V409-M413 HydrophobicContact CG1-SD 4.25Å; V409-M413 VanDerWaalsContact O-CG 3.3Å; V409-M413 WeakPolarHBondContact O-CG 3.13Å; V409-M413 PolarHBondContact O-N 3.12Å; V409-L470 HydrophobicContact CG2-CB 4.27Å; V409-L470 WeakPolarHBondContact CG2-O 3.36Å; V409-L471 HydrophobicContact CG1-CD2 3.88Å; V409-L471 HydrophobicContact CG2-CD2 3.97Å
410	G	97.6	Very high	97.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-40.1	174.5	0	0	0	0	0	113.1	G347 F406 N407 Y408 M413 G414	G347-G410 CarbonylContact C-O 3.49Å; G347-G410 WeakPolarHBondContact CA-O 3.32Å; G347-G410 CarbonylContact O-C 3.59Å; G347-G410 WeakPolarHBondContact O-CA 3.2Å; F406-G410 PolarHBondContact O-N 2.92Å; N407-G410 PolarHBondContact O-N 3.48Å; Y408-G410 VanDerWaalsContact C-N 3.33Å; G410-M413 PolarHBondContact O-N 2.61Å; G410-G414 PolarHBondContact O-N 3.3Å; G410-G414 VanDerWaalsContact O-N 3.11Å
411	D	97.2	Very high	97.7	Very high	12 Å²	12	19.2 Å²	19.2	6%	0.064	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-42.2	176.9	-153.6	1.6	0	0	0	112.1	Y280 F351 N407 Y408 V409 G414 S415 L440	Y280-D411 VanDerWaalsContact CE2-OD1 3.29Å; Y280-D411 WeakPolarHBondContact CE2-OD1 3.36Å; F351-D411 HydrophobicContact CD2-CB 4.05Å; F351-D411 HydrophobicContact CE2-CB 4.49Å; N407-D411 PolarHBondContact O-N 3.19Å; Y408-D411 WeakPolarHBondContact O-CB 3.18Å; Y408-D411 PolarHBondContact O-N 3.32Å; V409-D411 VanDerWaalsContact C-N 3.28Å; V409-D411 PolarHBondContact O-N 3.08Å; D411-G414 PolarHBondContact O-N 3.25Å; D411-S415 WeakPolarHBondContact O-CB 3.38Å; D411-S415 PolarHBondContact O-N 3.36Å; D411-S415 PolarHBondContact O-OG 3.15Å; D411-L440 HydrophobicContact CB-CD1 3.99Å
412	L	98.2	Very high	97.8	Very high	34 Å²	34	17.9 Å²	17.9	18%	0.178	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-36.5	174.8	-69.8	172.3	0	0	0	112.6	Y408 V409 S415 L416 I433 M436 A437 L440	Y408-L412 WeakPolarHBondContact O-CG 3.3Å; Y408-L412 PolarHBondContact O-N 3.01Å; V409-L412 PolarHBondContact O-N 3.27Å; L412-S415 PolarHBondContact O-N 3.27Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 PolarHBondContact O-N 2.84Å; L412-I433 HydrophobicContact CB-CD1 4.22Å; L412-I433 HydrophobicContact CD2-CD1 3.74Å; L412-I433 VanDerWaalsContact O-CD1 3.31Å; L412-I433 WeakPolarHBondContact O-CD1 3.28Å; L412-M436 HydrophobicContact CD2-CB 4.13Å; L412-A437 HydrophobicContact CD2-CB 4.12Å; L412-L440 HydrophobicContact CD2-CD1 3.84Å; L412-L440 HydrophobicContact CG-CD1 3.81Å
413	M	98.4	Very high	97.8	Very high	43 Å²	43	16.5 Å²	16.5	21%	0.212	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-44.7	174.5	-71.4	173.2	70.5	0	0	111.6	L343 V346 I350 V409 G410 L416 A417	L343-M413 HydrophobicContact CD1-CB 4.21Å; L343-M413 HydrophobicContact CD1-CE 3.76Å; L343-M413 HydrophobicContact CD1-CG 4.34Å; V346-M413 HydrophobicContact CB-CE 4.17Å; V346-M413 HydrophobicContact CG1-CE 3.7Å; I350-M413 HydrophobicContact CD1-CE 4.28Å; I350-M413 HydrophobicContact CD1-SD 3.78Å; V409-M413 HydrophobicContact CG1-CG 4.49Å; V409-M413 HydrophobicContact CG1-SD 4.25Å; V409-M413 VanDerWaalsContact O-CG 3.3Å; V409-M413 WeakPolarHBondContact O-CG 3.13Å; V409-M413 PolarHBondContact O-N 3.12Å; G410-M413 PolarHBondContact O-N 2.61Å; M413-L416 PolarHBondContact O-N 3.07Å; M413-A417 PolarHBondContact O-N 3.45Å
414	G	98.2	Very high	97.6	Very high	6 Å²	6	20 Å²	20	6%	0.062	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-46.2	173.7	0	0	0	0	0	111.9	G410 D411 L416 A417 Y418	G410-G414 PolarHBondContact O-N 3.3Å; G410-G414 VanDerWaalsContact O-N 3.11Å; D411-G414 PolarHBondContact O-N 3.25Å; G414-L416 VanDerWaalsContact C-N 3.31Å; G414-L416 PolarHBondContact O-N 3.4Å; G414-A417 WeakPolarHBondContact O-CB 3.46Å; G414-A417 PolarHBondContact O-N 3.15Å; G414-A417 VanDerWaalsContact O-N 3.11Å; G414-Y418 WeakPolarHBondContact O-CD1 3.45Å; G414-Y418 VanDerWaalsContact O-CE1 3.31Å; G414-Y418 WeakPolarHBondContact O-CE1 3.18Å; G414-Y418 VanDerWaalsContact O-CG 3.3Å; G414-Y418 PolarHBondContact O-N 3.26Å
415	S	98.4	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-42.3	176.6	-60.8	0	0	0	0	112.6	D411 L412 Y418 C419 Y432	D411-S415 WeakPolarHBondContact O-CB 3.38Å; D411-S415 PolarHBondContact O-N 3.36Å; D411-S415 PolarHBondContact O-OG 3.15Å; L412-S415 PolarHBondContact O-N 3.27Å; S415-Y418 PolarHBondContact O-N 2.87Å; S415-C419 PolarHBondContact O-N 3.49Å; S415-C419 PolarHBondContact O-SG 3.36Å; S415-Y432 VanDerWaalsContact CB-CE1 3.49Å; S415-Y432 VanDerWaalsContact OG-CE1 3.26Å; S415-Y432 WeakPolarHBondContact OG-CE1 3.37Å
416	L	98.6	Very high	97.4	Very high	64 Å²	64	24.3 Å²	24.3	34%	0.335	16%	0.162	S	C	.	.	H	α-helix	trans	-66.6	-40.9	175.7	180	60.7	0	0	0	111.4	L343 L412 M413 G414 Y418 C419 L420 I433	L343-L416 HydrophobicContact CD2-CB 4.41Å; L343-L416 HydrophobicContact CD2-CD2 4.12Å; L343-L416 HydrophobicContact CD2-CG 4.09Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 PolarHBondContact O-N 2.84Å; M413-L416 PolarHBondContact O-N 3.07Å; G414-L416 VanDerWaalsContact C-N 3.31Å; G414-L416 PolarHBondContact O-N 3.4Å; L416-Y418 VanDerWaalsContact C-N 3.31Å; L416-Y418 PolarHBondContact O-N 3.37Å; L416-C419 PolarHBondContact O-N 2.99Å; L416-C419 VanDerWaalsContact O-N 3.15Å; L416-L420 HydrophobicContact CD1-CD1 4.11Å; L416-L420 HydrophobicContact CD1-CD2 4.48Å; L416-L420 HydrophobicContact CD1-CG 3.96Å; L416-L420 HydrophobicContact CD2-CD1 4.3Å; L416-L420 HydrophobicContact CG-CD1 3.77Å; L416-L420 HydrophobicContact CG-CG 4.1Å; L416-L420 WeakPolarHBondContact O-CB 3.47Å; L416-L420 WeakPolarHBondContact O-CG 3.36Å; L416-L420 PolarHBondContact O-N 2.75Å; L416-I433 HydrophobicContact CB-CD1 4.24Å; L416-I433 HydrophobicContact CB-CG1 4.37Å
417	A	98.6	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-40.4	176.4	0	0	0	0	0	112.2	L276 V340 L343 M413 G414 C419 L420 A421	L276-A417 HydrophobicContact CD1-CB 4.04Å; V340-A417 HydrophobicContact CG1-CB 4.26Å; V340-A417 VanDerWaalsContact CG1-O 3.28Å; V340-A417 WeakPolarHBondContact CG1-O 3.38Å; L343-A417 HydrophobicContact CB-CB 4.35Å; L343-A417 HydrophobicContact CD2-CB 4.12Å; L343-A417 HydrophobicContact CG-CB 4.17Å; M413-A417 PolarHBondContact O-N 3.45Å; G414-A417 WeakPolarHBondContact O-CB 3.46Å; G414-A417 PolarHBondContact O-N 3.15Å; G414-A417 VanDerWaalsContact O-N 3.11Å; A417-C419 VanDerWaalsContact C-N 3.3Å; A417-C419 PolarHBondContact O-N 3.48Å; A417-L420 PolarHBondContact O-N 3.26Å; A417-A421 PolarHBondContact O-N 3.4Å; A417-A421 VanDerWaalsContact O-N 3.09Å
418	Y	98.5	Very high	97.4	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-44.1	175.3	-51.2	-20	0	0	0	111.2	W248 L276 Q277 G414 S415 L416 A421 Y432	W248-Y418 HydrophobicContact CZ2-CE2 4.49Å; L276-Y418 HydrophobicContact CB-CD1 3.93Å; L276-Y418 HydrophobicContact CB-CE1 3.6Å; L276-Y418 HydrophobicContact CD1-CD1 4.42Å; Q277-Y418 HydrophobicContact CG-CD1 4.02Å; Q277-Y418 HydrophobicContact CG-CD2 3.97Å; Q277-Y418 HydrophobicContact CG-CE1 3.93Å; Q277-Y418 HydrophobicContact CG-CE2 3.85Å; Q277-Y418 HydrophobicContact CG-CG 4.06Å; G414-Y418 WeakPolarHBondContact O-CD1 3.45Å; G414-Y418 VanDerWaalsContact O-CE1 3.31Å; G414-Y418 WeakPolarHBondContact O-CE1 3.18Å; G414-Y418 VanDerWaalsContact O-CG 3.3Å; G414-Y418 PolarHBondContact O-N 3.26Å; S415-Y418 PolarHBondContact O-N 2.87Å; L416-Y418 VanDerWaalsContact C-N 3.31Å; L416-Y418 PolarHBondContact O-N 3.37Å; Y418-A421 WeakPolarHBondContact O-CB 3.42Å; Y418-Y432 HydrophobicContact CD2-CD1 4.11Å; Y418-Y432 AromaticContact CD2-CE1 3.56Å; Y418-Y432 HydrophobicContact CD2-CE1 3.56Å; Y418-Y432 AromaticContact CE2-CE1 3.86Å; Y418-Y432 HydrophobicContact CE2-CE1 3.86Å
419	C	98.6	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.7	-44.9	-178	-55	0	0	0	0	111.6	S415 L416 A417 A421 C422 P429 Y430 I433	S415-C419 PolarHBondContact O-N 3.49Å; S415-C419 PolarHBondContact O-SG 3.36Å; L416-C419 PolarHBondContact O-N 2.99Å; L416-C419 VanDerWaalsContact O-N 3.15Å; A417-C419 VanDerWaalsContact C-N 3.3Å; A417-C419 PolarHBondContact O-N 3.48Å; C419-A421 PolarHBondContact O-N 2.94Å; C419-C422 VanDerWaalsContact O-CB 3.26Å; C419-C422 WeakPolarHBondContact O-CB 3.37Å; C419-C422 PolarHBondContact O-N 2.86Å; C419-P429 PolarHBondContact SG-O 3.36Å; C419-Y430 HydrophobicContact CB-CD1 3.63Å; C419-Y430 HydrophobicContact CB-CE1 3.78Å; C419-Y430 HydrophobicContact CB-CG 4.05Å; C419-I433 HydrophobicContact CB-CG2 4.37Å
420	L	98.4	Very high	97.5	Very high	62 Å²	62	27.9 Å²	27.9	33%	0.325	18%	0.18	S	C	.	.	H	α-helix	trans	-63.4	-28	179	-72.6	175	0	0	0	112.8	V340 L343 L416 A417 C422 G423 Y430	V340-L420 HydrophobicContact CG2-CB 3.88Å; L343-L420 HydrophobicContact CD2-CD1 3.75Å; L416-L420 HydrophobicContact CD1-CD1 4.11Å; L416-L420 HydrophobicContact CD1-CD2 4.48Å; L416-L420 HydrophobicContact CD1-CG 3.96Å; L416-L420 HydrophobicContact CD2-CD1 4.3Å; L416-L420 HydrophobicContact CG-CD1 3.77Å; L416-L420 HydrophobicContact CG-CG 4.1Å; L416-L420 WeakPolarHBondContact O-CB 3.47Å; L416-L420 WeakPolarHBondContact O-CG 3.36Å; L416-L420 PolarHBondContact O-N 2.75Å; A417-L420 PolarHBondContact O-N 3.26Å; L420-C422 PolarHBondContact O-N 2.87Å; L420-G423 PolarHBondContact O-N 2.89Å; L420-G423 VanDerWaalsContact O-N 3.08Å; L420-Y430 HydrophobicContact CD2-CE1 4.29Å
421	A	98.3	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.9	172.5	0	0	0	0	0	112.4	A269 V273 V340 A417 Y418 C419 G423	A269-A421 WeakPolarHBondContact CB-O 3.33Å; V273-A421 HydrophobicContact CG2-CB 3.59Å; V340-A421 HydrophobicContact CG1-CB 4.1Å; A417-A421 PolarHBondContact O-N 3.4Å; A417-A421 VanDerWaalsContact O-N 3.09Å; Y418-A421 WeakPolarHBondContact O-CB 3.42Å; C419-A421 PolarHBondContact O-N 2.94Å; A421-G423 VanDerWaalsContact C-N 3.3Å; A421-G423 PolarHBondContact O-N 2.89Å
422	C	98.3	Very high	97.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.1	179.4	-58.8	0	0	0	0	114.1	Q321 Y324 C419 L420 P429	Q321-C422 VanDerWaalsContact CB-SG 3.54Å; Y324-C422 HydrophobicContact CD1-CB 3.64Å; Y324-C422 HydrophobicContact CE1-CB 3.75Å; Y324-C422 WeakPolarHBondContact CE1-O 3.15Å; C419-C422 VanDerWaalsContact O-CB 3.26Å; C419-C422 WeakPolarHBondContact O-CB 3.37Å; C419-C422 PolarHBondContact O-N 2.86Å; L420-C422 PolarHBondContact O-N 2.87Å; C422-P429 HydrophobicContact CB-CB 3.78Å; C422-P429 HydrophobicContact CB-CG 3.77Å
423	G	96.2	Very high	97.5	Very high	22 Å²	22	28.7 Å²	28.7	23%	0.227	18%	0.183	C	C	.	.			trans	69.9	-164.8	-171.8	0	0	0	0	0	112.8	L420 A421 Y430	L420-G423 PolarHBondContact O-N 2.89Å; L420-G423 VanDerWaalsContact O-N 3.08Å; A421-G423 VanDerWaalsContact C-N 3.3Å; A421-G423 PolarHBondContact O-N 2.89Å; G423-Y430 VanDerWaalsContact O-CE2 3.22Å; G423-Y430 WeakPolarHBondContact O-CE2 3.3Å; G423-Y430 PolarHBondContact O-OH 3.36Å
424	G	94.9	Very high	97.5	Very high	73 Å²	73	30.5 Å²	30.5	75%	0.753	19%	0.192	S	C	*	.	S	Bend	trans	-110.9	9.4	-173.2	0	0	0	0	0	115.7	H426	G424-H426 PolarHBondContact O-N 3.17Å
425	G	93.2	Very high	97.4	Very high	62 Å²	62	32.4 Å²	32.4	64%	0.639	20%	0.198	S	C	*	.	S	Bend	trans	-73.5	-25.8	-170.4	0	0	0	0	0	115.1
426	H	95.6	Very high	97.4	Very high	47 Å²	47	32.6 Å²	32.6	22%	0.218	20%	0.199	C	C	.	.			trans	-140.2	145.1	-174.2	-68.1	88.3	0	0	0	111.7	Y324 H328 G424 P429 Y430	Y324-H426 HydrophobicContact CD2-CB 4.38Å; Y324-H426 HydrophobicContact CE2-CB 3.6Å; Y324-H426 AromaticContact CE2-CG 3.58Å; Y324-H426 AromaticContact CE2-ND1 3.34Å; Y324-H426 VanDerWaalsContact CE2-ND1 3.34Å; Y324-H426 WeakPolarHBondContact CE2-ND1 3.29Å; Y324-H426 AromaticContact CZ-ND1 3.62Å; Y324-H426 PolarHBondContact OH-ND1 2.9Å; H328-H426 AromaticContact CE1-CE1 3.46Å; H328-H426 PolarHBondContact CE1-CE1 3.2Å; H328-H426 VanDerWaalsContact CE1-CE1 3.46Å; H328-H426 AromaticContact NE2-CE1 3.48Å; H328-H426 PolarHBondContact NE2-CE1 3.4Å; H328-H426 AromaticContact NE2-ND1 3.99Å; G424-H426 PolarHBondContact O-N 3.17Å; H426-P429 WeakPolarHBondContact O-CD 3.49Å; H426-Y430 WeakPolarHBondContact O-CD2 3.25Å
427	L	96.8	Very high	97.3	Very high	105 Å²	105	31.2 Å²	31.2	55%	0.55	20%	0.197	S	C	.	.	S	Bend	trans	-75.5	-26.1	176.8	-175	62.9	0	0	0	112.8	L68 Y430 F431 I434	L68-L427 HydrophobicContact CD2-CD2 4.29Å; L427-Y430 WeakPolarHBondContact O-CA 3.36Å; L427-Y430 WeakPolarHBondContact O-CB 3.28Å; L427-Y430 PolarHBondContact O-N 3.2Å; L427-F431 PolarHBondContact O-N 2.83Å; L427-I434 HydrophobicContact CD1-CD1 4.25Å
428	L	97.8	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-48.9	-51.8	-175.5	-178.5	142.8	0	0	0	114.1	F57 A60 C61 C66 L68 L320 Y430 F431	F57-L428 HydrophobicContact CD1-CD1 4.19Å; F57-L428 HydrophobicContact CD1-CG 4.09Å; F57-L428 HydrophobicContact CE1-CG 4.45Å; A60-L428 HydrophobicContact CB-CD1 4.42Å; C61-L428 WeakPolarHBondContact SG-CD1 3.29Å; C66-L428 HydrophobicContact CB-CD1 3.98Å; C66-L428 HydrophobicContact CB-CD2 4.26Å; C66-L428 HydrophobicContact CB-CG 4.49Å; C66-L428 WeakPolarHBondContact O-CB 3.31Å; L68-L428 HydrophobicContact CD1-CD1 4.43Å; L320-L428 HydrophobicContact CB-CD2 4.09Å; L320-L428 HydrophobicContact CD2-CD2 4.05Å; L320-L428 HydrophobicContact CG-CD2 4.47Å; L428-Y430 PolarHBondContact O-N 2.81Å; L428-F431 WeakPolarHBondContact O-CB 3.4Å; L428-F431 PolarHBondContact O-N 3.3Å
429	P	98	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-64	-26.5	178.7	22.9	-33.6	0	0	0	113.6	Q321 Y324 C419 C422 H426 F431	Q321-P429 HydrophobicContact CG-CB 4.22Å; Q321-P429 PolarHBondContact NE2-O 2.9Å; Y324-P429 HydrophobicContact CD1-CG 4.32Å; Y324-P429 HydrophobicContact CD2-CG 4.45Å; Y324-P429 HydrophobicContact CG-CG 4.24Å; C419-P429 PolarHBondContact SG-O 3.36Å; C422-P429 HydrophobicContact CB-CB 3.78Å; C422-P429 HydrophobicContact CB-CG 3.77Å; H426-P429 WeakPolarHBondContact O-CD 3.49Å; P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 PolarHBondContact O-N 3.35Å
430	Y	98.2	Very high	96.8	Very high	46 Å²	46	37.6 Å²	37.6	18%	0.18	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-79.9	-9.5	179.4	-68.3	-94.6	0	0	0	113.8	C419 L420 G423 H426 L427 L428 Y432 I433 I434	C419-Y430 HydrophobicContact CB-CD1 3.63Å; C419-Y430 HydrophobicContact CB-CE1 3.78Å; C419-Y430 HydrophobicContact CB-CG 4.05Å; L420-Y430 HydrophobicContact CD2-CE1 4.29Å; G423-Y430 VanDerWaalsContact O-CE2 3.22Å; G423-Y430 WeakPolarHBondContact O-CE2 3.3Å; G423-Y430 PolarHBondContact O-OH 3.36Å; H426-Y430 WeakPolarHBondContact O-CD2 3.25Å; L427-Y430 WeakPolarHBondContact O-CA 3.36Å; L427-Y430 WeakPolarHBondContact O-CB 3.28Å; L427-Y430 PolarHBondContact O-N 3.2Å; L428-Y430 PolarHBondContact O-N 2.81Å; Y430-Y432 PolarHBondContact O-N 3Å; Y430-I433 HydrophobicContact CD1-CG2 4.19Å; Y430-I433 WeakPolarHBondContact O-CG2 3.48Å; Y430-I433 PolarHBondContact O-N 2.74Å; Y430-I434 WeakPolarHBondContact O-CG1 3.36Å; Y430-I434 PolarHBondContact O-N 2.8Å
431	F	97.5	Very high	96.6	Very high	37 Å²	37	37 Å²	37	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-54.2	-36.1	171.2	172.3	-97.7	0	0	0	111.8	F57 W313 L317 L320 L427 L428 P429 I434 Y435	F57-F431 HydrophobicContact CD1-CG 4.45Å; F57-F431 HydrophobicContact CE1-CB 3.44Å; F57-F431 VanDerWaalsContact CE1-CB 3.44Å; F57-F431 AromaticContact CE1-CD1 3.97Å; F57-F431 HydrophobicContact CE1-CD1 3.97Å; F57-F431 AromaticContact CE1-CD2 3.87Å; F57-F431 HydrophobicContact CE1-CD2 3.87Å; F57-F431 AromaticContact CE1-CG 3.46Å; F57-F431 HydrophobicContact CE1-CG 3.46Å; F57-F431 VanDerWaalsContact CE1-CG 3.46Å; F57-F431 HydrophobicContact CE2-CD2 4.16Å; F57-F431 HydrophobicContact CE2-CE2 4.26Å; F57-F431 HydrophobicContact CE2-CG 4.45Å; F57-F431 HydrophobicContact CZ-CB 3.81Å; F57-F431 HydrophobicContact CZ-CD1 4.12Å; F57-F431 AromaticContact CZ-CD2 3.32Å; F57-F431 HydrophobicContact CZ-CD2 3.32Å; F57-F431 AromaticContact CZ-CE2 3.87Å; F57-F431 HydrophobicContact CZ-CE2 3.87Å; F57-F431 AromaticContact CZ-CG 3.45Å; F57-F431 HydrophobicContact CZ-CG 3.45Å; F57-F431 VanDerWaalsContact CZ-CG 3.45Å; F57-F431 HydrophobicContact CZ-CZ 4.47Å; W313-F431 HydrophobicContact CH2-CE1 4.39Å; W313-F431 AromaticContact CH2-CZ 3.81Å; W313-F431 HydrophobicContact CH2-CZ 3.81Å; W313-F431 HydrophobicContact CZ2-CE1 4.02Å; W313-F431 AromaticContact CZ2-CZ 3.74Å; W313-F431 HydrophobicContact CZ2-CZ 3.74Å; L317-F431 HydrophobicContact CB-CE1 4.22Å; L317-F431 HydrophobicContact CD1-CE1 3.89Å; L317-F431 HydrophobicContact CD1-CZ 4.39Å; L317-F431 HydrophobicContact CD2-CD1 4.46Å; L317-F431 HydrophobicContact CD2-CE1 4.18Å; L317-F431 HydrophobicContact CG-CE1 4.32Å; L320-F431 HydrophobicContact CD1-CB 4.36Å; L320-F431 HydrophobicContact CD1-CD1 3.92Å; L427-F431 PolarHBondContact O-N 2.83Å; L428-F431 WeakPolarHBondContact O-CB 3.4Å; L428-F431 PolarHBondContact O-N 3.3Å; P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 PolarHBondContact O-N 3.35Å; F431-I434 PolarHBondContact O-N 2.92Å; F431-Y435 VanDerWaalsContact O-CB 3.31Å; F431-Y435 WeakPolarHBondContact O-CB 3.5Å; F431-Y435 PolarHBondContact O-N 2.86Å
432	Y	97.5	Very high	96.3	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-49.6	179.9	-177.4	-97.3	0	0	0	113.1	Y318 S415 Y418 Y430 I434 Y435 M436	Y318-Y432 HydrophobicContact CD1-CD2 4.05Å; Y318-Y432 AromaticContact CD1-CE2 3.68Å; Y318-Y432 HydrophobicContact CD1-CE2 3.68Å; Y318-Y432 AromaticContact CD2-CE2 3.7Å; Y318-Y432 HydrophobicContact CD2-CE2 3.7Å; Y318-Y432 HydrophobicContact CE1-CE2 4.05Å; Y318-Y432 HydrophobicContact CE2-CE2 4.08Å; Y318-Y432 HydrophobicContact CG-CD2 4.17Å; Y318-Y432 AromaticContact CG-CE2 3.49Å; Y318-Y432 HydrophobicContact CG-CE2 3.49Å; Y318-Y432 VanDerWaalsContact CG-CE2 3.49Å; S415-Y432 VanDerWaalsContact CB-CE1 3.49Å; S415-Y432 VanDerWaalsContact OG-CE1 3.26Å; S415-Y432 WeakPolarHBondContact OG-CE1 3.37Å; Y418-Y432 HydrophobicContact CD2-CD1 4.11Å; Y418-Y432 AromaticContact CD2-CE1 3.56Å; Y418-Y432 HydrophobicContact CD2-CE1 3.56Å; Y418-Y432 AromaticContact CE2-CE1 3.86Å; Y418-Y432 HydrophobicContact CE2-CE1 3.86Å; Y430-Y432 PolarHBondContact O-N 3Å; Y432-I434 VanDerWaalsContact C-N 3.33Å; Y432-I434 PolarHBondContact O-N 3.36Å; Y432-Y435 PolarHBondContact O-N 2.79Å; Y432-M436 HydrophobicContact CD1-CG 4.25Å; Y432-M436 HydrophobicContact CE1-CE 4.31Å; Y432-M436 HydrophobicContact CE1-CG 3.9Å; Y432-M436 HydrophobicContact CE2-CE 3.74Å; Y432-M436 HydrophobicContact CE2-CG 4.29Å; Y432-M436 VanDerWaalsContact CZ-CE 3.47Å; Y432-M436 WeakPolarHBondContact O-CB 3.39Å; Y432-M436 WeakPolarHBondContact O-CG 3.43Å; Y432-M436 PolarHBondContact O-N 3.22Å; Y432-M436 WeakPolarHBondContact OH-CE 3.26Å
433	I	98.1	Very high	95.9	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.138	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-36.2	178.5	-179.7	62.3	0	0	0	111.5	L412 L416 C419 Y430 M436 A437	L412-I433 HydrophobicContact CB-CD1 4.22Å; L412-I433 HydrophobicContact CD2-CD1 3.74Å; L412-I433 VanDerWaalsContact O-CD1 3.31Å; L412-I433 WeakPolarHBondContact O-CD1 3.28Å; L416-I433 HydrophobicContact CB-CD1 4.24Å; L416-I433 HydrophobicContact CB-CG1 4.37Å; C419-I433 HydrophobicContact CB-CG2 4.37Å; Y430-I433 HydrophobicContact CD1-CG2 4.19Å; Y430-I433 WeakPolarHBondContact O-CG2 3.48Å; Y430-I433 PolarHBondContact O-N 2.74Å; I433-M436 PolarHBondContact O-N 2.75Å; I433-A437 WeakPolarHBondContact O-CB 3.44Å; I433-A437 PolarHBondContact O-N 2.81Å
434	I	97.9	Very high	95.7	Very high	80 Å²	80	43.9 Å²	43.9	41%	0.41	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-50.1	175.7	-65.7	166.2	0	0	0	110	L427 Y430 F431 Y432 A437 I438	L427-I434 HydrophobicContact CD1-CD1 4.25Å; Y430-I434 WeakPolarHBondContact O-CG1 3.36Å; Y430-I434 PolarHBondContact O-N 2.8Å; F431-I434 PolarHBondContact O-N 2.92Å; Y432-I434 VanDerWaalsContact C-N 3.33Å; Y432-I434 PolarHBondContact O-N 3.36Å; I434-A437 PolarHBondContact O-N 2.81Å; I434-I438 HydrophobicContact CG2-CD1 4.14Å; I434-I438 WeakPolarHBondContact O-CG1 3.4Å; I434-I438 PolarHBondContact O-N 3.11Å; I434-I438 VanDerWaalsContact O-N 3.12Å
435	Y	96.6	Very high	95.5	Very high	46 Å²	46	43.9 Å²	43.9	18%	0.18	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.5	165.2	-104	0	0	0	111.6	W313 Y318 F431 Y432 A437 I438 L439	W313-Y435 AromaticContact CE2-CE2 3.75Å; W313-Y435 AromaticContact CE2-CZ 3.93Å; W313-Y435 AromaticContact CZ2-CD2 3.55Å; W313-Y435 HydrophobicContact CZ2-CD2 3.55Å; W313-Y435 AromaticContact CZ2-CE2 3.59Å; W313-Y435 HydrophobicContact CZ2-CE2 3.59Å; W313-Y435 HydrophobicContact CZ2-CG 4.13Å; W313-Y435 AromaticContact NE1-CE1 3.49Å; W313-Y435 AromaticContact NE1-CE2 3.52Å; W313-Y435 AromaticContact NE1-CZ 3.2Å; W313-Y435 PolarHBondContact NE1-OH 3.41Å; Y318-Y435 HydrophobicContact CE1-CD1 4.24Å; Y318-Y435 AromaticContact CE1-CE1 3.7Å; Y318-Y435 HydrophobicContact CE1-CE1 3.7Å; Y318-Y435 WeakPolarHBondContact OH-CE1 3.42Å; F431-Y435 VanDerWaalsContact O-CB 3.31Å; F431-Y435 WeakPolarHBondContact O-CB 3.5Å; F431-Y435 PolarHBondContact O-N 2.86Å; Y432-Y435 PolarHBondContact O-N 2.79Å; Y435-A437 VanDerWaalsContact C-N 3.34Å; Y435-A437 PolarHBondContact O-N 2.7Å; Y435-I438 PolarHBondContact O-N 3Å; Y435-L439 HydrophobicContact CE1-CD2 4.08Å; Y435-L439 HydrophobicContact CE2-CB 4.47Å; Y435-L439 WeakPolarHBondContact O-CB 3.46Å; Y435-L439 PolarHBondContact O-N 3.28Å
436	M	97.3	Very high	95.3	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-37.9	179.4	-76.9	-57.7	-162.6	0	0	112.4	Y318 L412 Y432 I433 L439 L440	Y318-M436 HydrophobicContact CD2-CE 4.37Å; Y318-M436 HydrophobicContact CE1-CE 4.24Å; Y318-M436 HydrophobicContact CE2-CE 3.49Å; Y318-M436 VanDerWaalsContact CE2-CE 3.49Å; Y318-M436 VanDerWaalsContact CZ-CE 3.41Å; Y318-M436 VanDerWaalsContact OH-CE 3.28Å; Y318-M436 WeakPolarHBondContact OH-CE 3.26Å; L412-M436 HydrophobicContact CD2-CB 4.13Å; Y432-M436 HydrophobicContact CD1-CG 4.25Å; Y432-M436 HydrophobicContact CE1-CE 4.31Å; Y432-M436 HydrophobicContact CE1-CG 3.9Å; Y432-M436 HydrophobicContact CE2-CE 3.74Å; Y432-M436 HydrophobicContact CE2-CG 4.29Å; Y432-M436 VanDerWaalsContact CZ-CE 3.47Å; Y432-M436 WeakPolarHBondContact O-CB 3.39Å; Y432-M436 WeakPolarHBondContact O-CG 3.43Å; Y432-M436 PolarHBondContact O-N 3.22Å; Y432-M436 WeakPolarHBondContact OH-CE 3.26Å; I433-M436 PolarHBondContact O-N 2.75Å; M436-L439 PolarHBondContact O-N 2.9Å; M436-L439 HydrophobicContact SD-CD2 3.88Å; M436-L440 VanDerWaalsContact O-CB 3.26Å; M436-L440 WeakPolarHBondContact O-CB 3.03Å; M436-L440 VanDerWaalsContact O-CG 3.22Å; M436-L440 WeakPolarHBondContact O-CG 3.35Å; M436-L440 PolarHBondContact O-N 2.68Å
437	A	97.5	Very high	94.9	Very high	36 Å²	36	43.5 Å²	43.5	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-59.8	-49.4	173.2	0	0	0	0	0	111.2	L412 I433 I434 Y435 L439 L440 T441	L412-A437 HydrophobicContact CD2-CB 4.12Å; I433-A437 WeakPolarHBondContact O-CB 3.44Å; I433-A437 PolarHBondContact O-N 2.81Å; I434-A437 PolarHBondContact O-N 2.81Å; Y435-A437 VanDerWaalsContact C-N 3.34Å; Y435-A437 PolarHBondContact O-N 2.7Å; A437-L439 PolarHBondContact O-N 2.84Å; A437-L440 PolarHBondContact O-N 3.21Å; A437-T441 WeakPolarHBondContact O-CB 3.41Å; A437-T441 PolarHBondContact O-N 2.9Å; A437-T441 PolarHBondContact O-OG1 2.99Å
438	I	96.2	Very high	94.7	Very high	115 Å²	115	39 Å²	39	59%	0.59	19%	0.19	S	C	*	.	H	α-helix	trans	-60.6	-48.6	177.5	-64.7	166.5	0	0	0	110.8	I434 Y435 L440 H442	I434-I438 HydrophobicContact CG2-CD1 4.14Å; I434-I438 WeakPolarHBondContact O-CG1 3.4Å; I434-I438 PolarHBondContact O-N 3.11Å; I434-I438 VanDerWaalsContact O-N 3.12Å; Y435-I438 PolarHBondContact O-N 3Å; I438-L440 PolarHBondContact O-N 2.85Å; I438-H442 WeakPolarHBondContact O-CB 3.29Å; I438-H442 PolarHBondContact O-N 2.47Å
439	L	93	Very high	94.4	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-49.2	-179.2	-179.4	72.5	0	0	0	111.6	Y435 M436 A437 H442 R443	Y435-L439 HydrophobicContact CE1-CD2 4.08Å; Y435-L439 HydrophobicContact CE2-CB 4.47Å; Y435-L439 WeakPolarHBondContact O-CB 3.46Å; Y435-L439 PolarHBondContact O-N 3.28Å; M436-L439 PolarHBondContact O-N 2.9Å; M436-L439 HydrophobicContact SD-CD2 3.88Å; A437-L439 PolarHBondContact O-N 2.84Å; L439-H442 PolarHBondContact O-N 3.28Å; L439-R443 WeakPolarHBondContact O-CB 3.47Å; L439-R443 PolarHBondContact O-N 2.88Å
440	L	94.9	Very high	93.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-73	-34.9	-175.6	-67.6	175.4	0	0	0	112	Y408 D411 L412 M436 A437 I438 R443 C444	Y408-L440 HydrophobicContact CD1-CD2 3.88Å; Y408-L440 HydrophobicContact CD2-CB 4.26Å; Y408-L440 HydrophobicContact CD2-CD2 4.22Å; Y408-L440 HydrophobicContact CE1-CD2 4.16Å; Y408-L440 HydrophobicContact CE2-CD2 4.49Å; Y408-L440 HydrophobicContact CG-CB 4.38Å; Y408-L440 HydrophobicContact CG-CD2 3.93Å; D411-L440 HydrophobicContact CB-CD1 3.99Å; L412-L440 HydrophobicContact CD2-CD1 3.84Å; L412-L440 HydrophobicContact CG-CD1 3.81Å; M436-L440 VanDerWaalsContact O-CB 3.26Å; M436-L440 WeakPolarHBondContact O-CB 3.03Å; M436-L440 VanDerWaalsContact O-CG 3.22Å; M436-L440 WeakPolarHBondContact O-CG 3.35Å; M436-L440 PolarHBondContact O-N 2.68Å; A437-L440 PolarHBondContact O-N 3.21Å; I438-L440 PolarHBondContact O-N 2.85Å; L440-R443 PolarHBondContact O-N 3.37Å; L440-C444 VanDerWaalsContact O-CB 3.26Å; L440-C444 WeakPolarHBondContact O-CB 3.28Å; L440-C444 PolarHBondContact O-N 3.29Å
441	T	95.2	Very high	93.4	Very high	49 Å²	49	48.5 Å²	48.5	30%	0.301	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-49.5	170.7	-63.3	0	0	0	0	110.8	A437 R443 C444 L445 F475	A437-T441 WeakPolarHBondContact O-CB 3.41Å; A437-T441 PolarHBondContact O-N 2.9Å; A437-T441 PolarHBondContact O-OG1 2.99Å; T441-R443 VanDerWaalsContact C-N 3.32Å; T441-R443 PolarHBondContact O-N 3.2Å; T441-C444 WeakPolarHBondContact O-CB 3.47Å; T441-C444 PolarHBondContact O-N 3.35Å; T441-L445 HydrophobicContact CG2-CD1 4.49Å; T441-L445 WeakPolarHBondContact O-CG 3.23Å; T441-L445 PolarHBondContact O-N 3.15Å; T441-F475 HydrophobicContact CG2-CE1 4.22Å; T441-F475 HydrophobicContact CG2-CZ 4.41Å
442	H	91	Very high	93.1	Very high	111 Å²	111	48.6 Å²	48.6	51%	0.514	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-43.3	176.3	175.6	-105.5	0	0	0	111.9	I438 L439 C444 L445 R446	I438-H442 WeakPolarHBondContact O-CB 3.29Å; I438-H442 PolarHBondContact O-N 2.47Å; L439-H442 PolarHBondContact O-N 3.28Å; H442-C444 PolarHBondContact O-N 3.11Å; H442-L445 PolarHBondContact O-N 3.05Å; H442-R446 PolarHBondContact O-N 2.89Å
443	R	90.3	Very high	92.7	Very high	57 Å²	57	52 Å²	52	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-39.2	178	-175.8	175.8	-89.9	176.4	-12.7	112.1	I295 D296 Y408 L439 L440 T441 D447	I295-R443 HydrophobicContact CD1-CG 4.34Å; D296-R443 IonicContact OD1-NH2 3.08Å; D296-R443 PolarHBondContact OD1-NH2 3.04Å; D296-R443 VanDerWaalsContact OD1-NH2 3.15Å; D296-R443 IonicContact OD2-NH2 3.9Å; Y408-R443 HydrophobicContact CE2-CG 4.39Å; Y408-R443 WeakPolarHBondContact OH-CD 3.39Å; L439-R443 WeakPolarHBondContact O-CB 3.47Å; L439-R443 PolarHBondContact O-N 2.88Å; L440-R443 PolarHBondContact O-N 3.37Å; T441-R443 VanDerWaalsContact C-N 3.32Å; T441-R443 PolarHBondContact O-N 3.2Å; R443-D447 WeakPolarHBondContact O-CB 3.07Å; R443-D447 PolarHBondContact O-N 3.31Å
444	C	91.8	Very high	92.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-54.6	172.2	170.6	0	0	0	0	110.5	H405 Y408 L440 T441 H442 R446 D447 E448	H405-C444 PolarHBondContact CD2-SG 3.38Å; Y408-C444 HydrophobicContact CD2-CB 4.45Å; Y408-C444 HydrophobicContact CE2-CB 4.33Å; L440-C444 VanDerWaalsContact O-CB 3.26Å; L440-C444 WeakPolarHBondContact O-CB 3.28Å; L440-C444 PolarHBondContact O-N 3.29Å; T441-C444 WeakPolarHBondContact O-CB 3.47Å; T441-C444 PolarHBondContact O-N 3.35Å; H442-C444 PolarHBondContact O-N 3.11Å; C444-R446 VanDerWaalsContact C-N 3.29Å; C444-R446 PolarHBondContact O-N 3.47Å; C444-D447 PolarHBondContact O-N 3.06Å; C444-D447 VanDerWaalsContact O-N 3.08Å; C444-E448 WeakPolarHBondContact O-CG 3.44Å; C444-E448 PolarHBondContact O-N 2.97Å
445	L	92.1	Very high	92	Very high	74 Å²	74	51.8 Å²	51.8	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-56.2	-43.3	-179.8	-64.6	175.4	0	0	0	112.6	T441 H442 E448 H449 R469 F475	T441-L445 HydrophobicContact CG2-CD1 4.49Å; T441-L445 WeakPolarHBondContact O-CG 3.23Å; T441-L445 PolarHBondContact O-N 3.15Å; H442-L445 PolarHBondContact O-N 3.05Å; L445-E448 PolarHBondContact O-N 2.74Å; L445-H449 WeakPolarHBondContact O-CB 3.28Å; L445-H449 PolarHBondContact O-N 2.86Å; L445-R469 VanDerWaalsContact CD2-CZ 3.42Å; L445-F475 HydrophobicContact CD2-CZ 4.46Å
446	R	88	Confident	91.8	Very high	75 Å²	75	51.1 Å²	51.1	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-43	176.8	-174.9	172.5	66.6	159.5	-0.8	112.2	I295 D300 H442 C444 R450	I295-R446 VanDerWaalsContact CG2-NH2 3.3Å; D300-R446 IonicContact OD1-NH1 2.86Å; D300-R446 PolarHBondContact OD1-NH1 3.4Å; D300-R446 IonicContact OD2-CZ 2.7Å; D300-R446 IonicContact OD2-NH1 3.4Å; D300-R446 PolarHBondContact OD2-NH1 3.44Å; D300-R446 IonicContact OD2-NH2 2.61Å; D300-R446 PolarHBondContact OD2-NH2 2.87Å; H442-R446 PolarHBondContact O-N 2.89Å; C444-R446 VanDerWaalsContact C-N 3.29Å; C444-R446 PolarHBondContact O-N 3.47Å; R446-R450 PolarHBondContact O-N 2.82Å
447	D	87.7	Confident	91.7	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.134	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-41.5	178.4	-169.3	38.7	0	0	0	112.1	H405 R443 C444 R450 C451	H405-D447 IonicContact CE1-OD2 2.89Å; H405-D447 PolarHBondContact CE1-OD2 3.19Å; H405-D447 VanDerWaalsContact CE1-OD2 3.25Å; R443-D447 WeakPolarHBondContact O-CB 3.07Å; R443-D447 PolarHBondContact O-N 3.31Å; C444-D447 PolarHBondContact O-N 3.06Å; C444-D447 VanDerWaalsContact O-N 3.08Å; D447-R450 WeakPolarHBondContact O-CB 3.43Å; D447-R450 PolarHBondContact O-N 3.31Å; D447-R450 IonicContact OD1-CZ 3.31Å; D447-R450 VanDerWaalsContact OD1-CZ 3.27Å; D447-R450 IonicContact OD1-NE 2.98Å; D447-R450 PolarHBondContact OD1-NE 2.67Å; D447-R450 IonicContact OD1-NH2 2.97Å; D447-R450 PolarHBondContact OD1-NH2 2.76Å; D447-C451 WeakPolarHBondContact O-CB 3.45Å; D447-C451 PolarHBondContact O-N 2.94Å; D447-C451 PolarHBondContact O-SG 3.48Å; D447-C451 VanDerWaalsContact O-SG 3.36Å
448	E	92.2	Very high	91.6	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-42.2	177.9	-64.5	-162.1	159.7	0	0	112.2	R404 C444 L445 R450 C451 A452 W459 R469	R404-E448 IonicContact CZ-OE1 2.68Å; R404-E448 IonicContact NE-OE1 2.8Å; R404-E448 PolarHBondContact NE-OE1 3.19Å; R404-E448 IonicContact NH2-OE1 2.81Å; R404-E448 PolarHBondContact NH2-OE1 2.93Å; R404-E448 IonicContact NH2-OE2 2.75Å; R404-E448 PolarHBondContact NH2-OE2 3.26Å; C444-E448 WeakPolarHBondContact O-CG 3.44Å; C444-E448 PolarHBondContact O-N 2.97Å; L445-E448 PolarHBondContact O-N 2.74Å; E448-R450 VanDerWaalsContact C-N 3.27Å; E448-R450 PolarHBondContact O-N 3.27Å; E448-C451 PolarHBondContact O-N 3.03Å; E448-A452 VanDerWaalsContact O-CB 3.3Å; E448-A452 WeakPolarHBondContact O-CB 3.48Å; E448-A452 PolarHBondContact O-N 3.47Å; E448-W459 HydrophobicContact CB-CZ2 4.07Å; E448-W459 HydrophobicContact CG-CZ2 3.94Å; E448-R469 WeakPolarHBondContact OE1-CG 3.42Å; E448-R469 IonicContact OE1-NE 3.24Å; E448-R469 IonicContact OE2-CZ 3.41Å; E448-R469 IonicContact OE2-NE 3.52Å; E448-R469 PolarHBondContact OE2-NE 3.49Å; E448-R469 IonicContact OE2-NH2 3.15Å; E448-R469 PolarHBondContact OE2-NH2 3.11Å
449	H	90.5	Very high	91.6	Very high	138 Å²	138	56.1 Å²	56.1	64%	0.639	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-41.4	176	-179.8	69.2	0	0	0	111.5	L445 S453	L445-H449 WeakPolarHBondContact O-CB 3.28Å; L445-H449 PolarHBondContact O-N 2.86Å; H449-S453 WeakPolarHBondContact O-CB 3.22Å; H449-S453 PolarHBondContact O-N 3.06Å; H449-S453 PolarHBondContact O-OG 3.04Å
450	R	85.8	Confident	91.7	Very high	93 Å²	93	60.9 Å²	60.9	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-45.9	174.6	-179.1	-177.2	66.8	170.5	2.7	112	H299 R446 D447 E448 A452 S453 K454	H299-R450 PolarHBondContact CD2-NH1 2.94Å; H299-R450 PolarHBondContact NE2-NH1 3.47Å; R446-R450 PolarHBondContact O-N 2.82Å; D447-R450 WeakPolarHBondContact O-CB 3.43Å; D447-R450 PolarHBondContact O-N 3.31Å; D447-R450 IonicContact OD1-CZ 3.31Å; D447-R450 VanDerWaalsContact OD1-CZ 3.27Å; D447-R450 IonicContact OD1-NE 2.98Å; D447-R450 PolarHBondContact OD1-NE 2.67Å; D447-R450 IonicContact OD1-NH2 2.97Å; D447-R450 PolarHBondContact OD1-NH2 2.76Å; E448-R450 VanDerWaalsContact C-N 3.27Å; E448-R450 PolarHBondContact O-N 3.27Å; R450-A452 VanDerWaalsContact C-N 3.34Å; R450-S453 PolarHBondContact O-N 2.83Å; R450-K454 VanDerWaalsContact O-CB 3.28Å; R450-K454 WeakPolarHBondContact O-CB 3.33Å; R450-K454 PolarHBondContact O-N 3.41Å
451	C	90.2	Very high	91.8	Very high	16 Å²	16	67.7 Å²	67.7	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-37	179.1	-73	0	0	0	0	112.1	D447 E448 K454 Y455 W459	D447-C451 WeakPolarHBondContact O-CB 3.45Å; D447-C451 PolarHBondContact O-N 2.94Å; D447-C451 PolarHBondContact O-SG 3.48Å; D447-C451 VanDerWaalsContact O-SG 3.36Å; E448-C451 PolarHBondContact O-N 3.03Å; C451-K454 PolarHBondContact O-N 2.89Å; C451-Y455 HydrophobicContact CB-CD2 4.18Å; C451-Y455 HydrophobicContact CB-CE2 4.41Å; C451-Y455 WeakPolarHBondContact O-CD2 3.34Å; C451-Y455 PolarHBondContact O-N 3.4Å; C451-W459 HydrophobicContact CB-CD2 3.6Å; C451-W459 HydrophobicContact CB-CE3 3.48Å; C451-W459 VanDerWaalsContact CB-CE3 3.48Å; C451-W459 HydrophobicContact CB-CG 4.42Å; C451-W459 HydrophobicContact CB-CH2 3.55Å; C451-W459 HydrophobicContact CB-CZ2 3.68Å; C451-W459 HydrophobicContact CB-CZ3 3.44Å; C451-W459 VanDerWaalsContact CB-CZ3 3.44Å
452	A	92.3	Very high	91.9	Very high	39 Å²	39	65.8 Å²	65.8	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-47.5	172.9	0	0	0	0	0	111.4	E448 R450 K454 G456 W459	E448-A452 VanDerWaalsContact O-CB 3.3Å; E448-A452 WeakPolarHBondContact O-CB 3.48Å; E448-A452 PolarHBondContact O-N 3.47Å; R450-A452 VanDerWaalsContact C-N 3.34Å; A452-K454 VanDerWaalsContact C-N 3.27Å; A452-K454 PolarHBondContact O-N 3.18Å; A452-G456 VanDerWaalsContact O-CA 3.28Å; A452-G456 WeakPolarHBondContact O-CA 3.44Å; A452-G456 PolarHBondContact O-N 2.87Å; A452-W459 VanDerWaalsContact CA-CD1 3.48Å; A452-W459 HydrophobicContact CB-CG 4.23Å
453	S	89.1	Confident	92.2	Very high	72 Å²	72	62.4 Å²	62.4	50%	0.503	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-34.4	177.1	-56	0	0	0	0	112.3	H449 R450	H449-S453 WeakPolarHBondContact O-CB 3.22Å; H449-S453 PolarHBondContact O-N 3.06Å; H449-S453 PolarHBondContact O-OG 3.04Å; R450-S453 PolarHBondContact O-N 2.83Å
454	K	88.9	Confident	92.5	Very high	80 Å²	80	63.6 Å²	63.6	35%	0.348	32%	0.317	S	S	.	.	H	α-helix	trans	-78.6	-48.3	-178.8	-175.3	179.2	-179.1	-173.7	0	113.5	Y382 R450 C451 A452	Y382-K454 WeakPolarHBondContact CB-O 3.13Å; Y382-K454 HydrophobicContact CD2-CD 4.29Å; Y382-K454 HydrophobicContact CD2-CG 3.97Å; Y382-K454 VanDerWaalsContact CE1-CE 3.4Å; Y382-K454 HydrophobicContact CE2-CD 4.46Å; Y382-K454 HydrophobicContact CG-CD 4.36Å; Y382-K454 VanDerWaalsContact CG-CE 3.44Å; Y382-K454 HydrophobicContact CG-CG 3.89Å; Y382-K454 VanDerWaalsContact CZ-NZ 3.28Å; Y382-K454 PolarHBondContact OH-NZ 2.79Å; R450-K454 VanDerWaalsContact O-CB 3.28Å; R450-K454 WeakPolarHBondContact O-CB 3.33Å; R450-K454 PolarHBondContact O-N 3.41Å; C451-K454 PolarHBondContact O-N 2.89Å; A452-K454 VanDerWaalsContact C-N 3.27Å; A452-K454 PolarHBondContact O-N 3.18Å
455	Y	91.7	Very high	92.8	Very high	22 Å²	22	66.1 Å²	66.1	9%	0.086	34%	0.338	C	S	.	.	H	α-helix	trans	-104.6	-9.2	-170.8	-56.1	-61.9	0	0	0	113.7	C380 Y382 L394 C451 R457 D458 W459	C380-Y455 HydrophobicContact CB-CD1 3.69Å; C380-Y455 HydrophobicContact CB-CE1 4.23Å; C380-Y455 HydrophobicContact CB-CG 4.34Å; Y382-Y455 HydrophobicContact CD1-CD1 4.21Å; Y382-Y455 AromaticContact CD1-CE1 3.73Å; Y382-Y455 HydrophobicContact CD1-CE1 3.73Å; Y382-Y455 HydrophobicContact CE1-CE1 4.24Å; Y382-Y455 HydrophobicContact CG-CE1 4.38Å; L394-Y455 HydrophobicContact CD1-CD2 4.26Å; L394-Y455 HydrophobicContact CD2-CD2 4.32Å; L394-Y455 HydrophobicContact CD2-CE2 3.89Å; C451-Y455 HydrophobicContact CB-CD2 4.18Å; C451-Y455 HydrophobicContact CB-CE2 4.41Å; C451-Y455 WeakPolarHBondContact O-CD2 3.34Å; C451-Y455 PolarHBondContact O-N 3.4Å; Y455-R457 PolarHBondContact O-N 2.87Å; Y455-D458 PolarHBondContact O-N 2.97Å; Y455-W459 HydrophobicContact CD2-CE3 4.22Å
456	G	92.1	Very high	93.1	Very high	33 Å²	33	62.6 Å²	62.6	34%	0.34	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-122.6	176.3	0	0	0	0	0	112.8	A452 D458 W459 E460	A452-G456 VanDerWaalsContact O-CA 3.28Å; A452-G456 WeakPolarHBondContact O-CA 3.44Å; A452-G456 PolarHBondContact O-N 2.87Å; G456-D458 PolarHBondContact O-N 3.49Å; G456-W459 WeakPolarHBondContact O-CA 3.46Å; G456-W459 VanDerWaalsContact O-CB 3.23Å; G456-W459 WeakPolarHBondContact O-CB 3.27Å; G456-W459 PolarHBondContact O-N 2.95Å; G456-E460 PolarHBondContact O-N 2.83Å
457	R	94.7	Very high	93.5	Very high	208 Å²	208	62.6 Å²	62.6	79%	0.785	33%	0.329	S	S	*	.	H	α-helix	trans	-57.8	-30.6	-179.7	-67.7	-175.3	180	179.6	0.2	114.1	Y455 W459 E460 R461	Y455-R457 PolarHBondContact O-N 2.87Å; R457-W459 VanDerWaalsContact C-N 3.27Å; R457-W459 PolarHBondContact O-N 3.46Å; R457-E460 WeakPolarHBondContact O-CB 3.28Å; R457-E460 PolarHBondContact O-N 2.8Å; R457-R461 WeakPolarHBondContact O-CG 3.48Å; R457-R461 PolarHBondContact O-N 3.4Å; R457-R461 VanDerWaalsContact O-N 3.08Å
458	D	95.1	Very high	94	Very high	31 Å²	31	65.8 Å²	65.8	17%	0.166	34%	0.34	C	S	.	.	H	α-helix	trans	-71.6	-27.1	177	-66.6	-43.3	0	0	0	111.8	I378 C380 Y455 G456 R461 Y462	I378-D458 HydrophobicContact CG2-CB 4.36Å; C380-D458 WeakPolarHBondContact CA-OD2 3.49Å; C380-D458 HydrophobicContact CB-CB 3.88Å; C380-D458 VanDerWaalsContact SG-CB 3.57Å; Y455-D458 PolarHBondContact O-N 2.97Å; G456-D458 PolarHBondContact O-N 3.49Å; D458-R461 IonicContact OD1-NH1 3.11Å; D458-R461 PolarHBondContact OD1-NH1 3.02Å; D458-R461 VanDerWaalsContact OD1-NH1 3.11Å; D458-Y462 PolarHBondContact O-N 3.19Å
459	W	96.1	Very high	94.2	Very high	20 Å²	20	68.6 Å²	68.6	8%	0.076	35%	0.35	C	S	.	.	H	α-helix	trans	-68.6	-41.4	169.2	-170.8	-111.9	0	0	0	111.8	L394 E448 C451 A452 Y455 G456 R457 R461 Y462 T463	L394-W459 HydrophobicContact CD1-CE3 3.92Å; L394-W459 HydrophobicContact CD1-CZ3 4.27Å; E448-W459 HydrophobicContact CB-CZ2 4.07Å; E448-W459 HydrophobicContact CG-CZ2 3.94Å; C451-W459 HydrophobicContact CB-CD2 3.6Å; C451-W459 HydrophobicContact CB-CE3 3.48Å; C451-W459 VanDerWaalsContact CB-CE3 3.48Å; C451-W459 HydrophobicContact CB-CG 4.42Å; C451-W459 HydrophobicContact CB-CH2 3.55Å; C451-W459 HydrophobicContact CB-CZ2 3.68Å; C451-W459 HydrophobicContact CB-CZ3 3.44Å; C451-W459 VanDerWaalsContact CB-CZ3 3.44Å; A452-W459 VanDerWaalsContact CA-CD1 3.48Å; A452-W459 HydrophobicContact CB-CG 4.23Å; Y455-W459 HydrophobicContact CD2-CE3 4.22Å; G456-W459 WeakPolarHBondContact O-CA 3.46Å; G456-W459 VanDerWaalsContact O-CB 3.23Å; G456-W459 WeakPolarHBondContact O-CB 3.27Å; G456-W459 PolarHBondContact O-N 2.95Å; R457-W459 VanDerWaalsContact C-N 3.27Å; R457-W459 PolarHBondContact O-N 3.46Å; W459-R461 VanDerWaalsContact C-N 3.31Å; W459-R461 PolarHBondContact O-N 3.17Å; W459-Y462 HydrophobicContact CD2-CD1 4.33Å; W459-Y462 AromaticContact CE3-CD1 3.68Å; W459-Y462 HydrophobicContact CE3-CD1 3.68Å; W459-Y462 HydrophobicContact CE3-CE1 4.48Å; W459-Y462 HydrophobicContact CE3-CG 4.3Å; W459-Y462 AromaticContact CH2-CD1 3.63Å; W459-Y462 HydrophobicContact CH2-CD1 3.63Å; W459-Y462 AromaticContact CH2-CE1 3.71Å; W459-Y462 HydrophobicContact CH2-CE1 3.71Å; W459-Y462 HydrophobicContact CZ2-CD1 4.25Å; W459-Y462 AromaticContact CZ3-CD1 3.29Å; W459-Y462 HydrophobicContact CZ3-CD1 3.29Å; W459-Y462 AromaticContact CZ3-CE1 3.67Å; W459-Y462 HydrophobicContact CZ3-CE1 3.67Å; W459-Y462 HydrophobicContact CZ3-CG 4.22Å; W459-Y462 CarbonylContact O-C 3.37Å; W459-Y462 WeakPolarHBondContact O-CA 3.33Å; W459-Y462 WeakPolarHBondContact O-CB 3.48Å; W459-Y462 PolarHBondContact O-N 2.81Å; W459-T463 HydrophobicContact CD2-CG2 4.43Å; W459-T463 HydrophobicContact CG-CG2 4.48Å; W459-T463 HydrophobicContact CZ2-CG2 4.35Å; W459-T463 WeakPolarHBondContact O-CG2 3.36Å; W459-T463 PolarHBondContact O-N 3.22Å; W459-T463 PolarHBondContact O-OG1 3.2Å
460	E	96.6	Very high	94.4	Very high	125 Å²	125	62.6 Å²	62.6	58%	0.584	32%	0.323	S	S	*	.	H	α-helix	trans	-58.1	-45.7	175.7	-64.9	171	178.1	0	0	110.7	G456 R457 Y462 T463 A464	G456-E460 PolarHBondContact O-N 2.83Å; R457-E460 WeakPolarHBondContact O-CB 3.28Å; R457-E460 PolarHBondContact O-N 2.8Å; E460-Y462 VanDerWaalsContact C-N 3.29Å; E460-Y462 PolarHBondContact O-N 2.84Å; E460-T463 WeakPolarHBondContact CA-OG1 3.45Å; E460-T463 PolarHBondContact O-N 3.41Å; E460-T463 PolarHBondContact O-OG1 3.03Å; E460-A464 WeakPolarHBondContact O-CB 3.33Å; E460-A464 PolarHBondContact O-N 3.06Å
461	R	96.8	Very high	94.8	Very high	143 Å²	143	62 Å²	62	54%	0.54	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-40.2	173.3	-67.8	171	67.7	-160.8	5	112.2	I378 R457 D458 W459 A464 A465	I378-R461 HydrophobicContact CD1-CB 4.13Å; R457-R461 WeakPolarHBondContact O-CG 3.48Å; R457-R461 PolarHBondContact O-N 3.4Å; R457-R461 VanDerWaalsContact O-N 3.08Å; D458-R461 IonicContact OD1-NH1 3.11Å; D458-R461 PolarHBondContact OD1-NH1 3.02Å; D458-R461 VanDerWaalsContact OD1-NH1 3.11Å; W459-R461 VanDerWaalsContact C-N 3.31Å; W459-R461 PolarHBondContact O-N 3.17Å; R461-A464 PolarHBondContact O-N 3.22Å; R461-A465 WeakPolarHBondContact O-CB 3.23Å; R461-A465 PolarHBondContact O-N 3.31Å; R461-A465 VanDerWaalsContact O-N 3.08Å
462	Y	97.3	Very high	95	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-47.1	175.8	-179.3	-110.4	0	0	0	112	I378 L394 L395 V396 W400 R404 D458 W459 E460 A464 A465 V466	I378-Y462 VanDerWaalsContact CD1-CA 3.49Å; I378-Y462 HydrophobicContact CD1-CD2 4.33Å; L394-Y462 HydrophobicContact CB-CD2 3.97Å; L394-Y462 HydrophobicContact CB-CE2 4.4Å; L394-Y462 HydrophobicContact CB-CG 4.43Å; L394-Y462 HydrophobicContact CD1-CD2 4.35Å; L394-Y462 HydrophobicContact CD1-CG 3.98Å; L395-Y462 WeakPolarHBondContact O-CE2 3.37Å; V396-Y462 HydrophobicContact CG2-CD2 3.81Å; V396-Y462 HydrophobicContact CG2-CE2 3.97Å; W400-Y462 PolarHBondContact O-OH 2.87Å; R404-Y462 HydrophobicContact CB-CE1 4.12Å; R404-Y462 HydrophobicContact CG-CD1 4.32Å; R404-Y462 HydrophobicContact CG-CE1 3.55Å; D458-Y462 PolarHBondContact O-N 3.19Å; W459-Y462 HydrophobicContact CD2-CD1 4.33Å; W459-Y462 AromaticContact CE3-CD1 3.68Å; W459-Y462 HydrophobicContact CE3-CD1 3.68Å; W459-Y462 HydrophobicContact CE3-CE1 4.48Å; W459-Y462 HydrophobicContact CE3-CG 4.3Å; W459-Y462 AromaticContact CH2-CD1 3.63Å; W459-Y462 HydrophobicContact CH2-CD1 3.63Å; W459-Y462 AromaticContact CH2-CE1 3.71Å; W459-Y462 HydrophobicContact CH2-CE1 3.71Å; W459-Y462 HydrophobicContact CZ2-CD1 4.25Å; W459-Y462 AromaticContact CZ3-CD1 3.29Å; W459-Y462 HydrophobicContact CZ3-CD1 3.29Å; W459-Y462 AromaticContact CZ3-CE1 3.67Å; W459-Y462 HydrophobicContact CZ3-CE1 3.67Å; W459-Y462 HydrophobicContact CZ3-CG 4.22Å; W459-Y462 CarbonylContact O-C 3.37Å; W459-Y462 WeakPolarHBondContact O-CA 3.33Å; W459-Y462 WeakPolarHBondContact O-CB 3.48Å; W459-Y462 PolarHBondContact O-N 2.81Å; E460-Y462 VanDerWaalsContact C-N 3.29Å; E460-Y462 PolarHBondContact O-N 2.84Å; Y462-A464 VanDerWaalsContact C-N 3.3Å; Y462-A464 PolarHBondContact O-N 3.37Å; Y462-A465 PolarHBondContact O-N 3.33Å; Y462-V466 HydrophobicContact CD2-CG2 4.47Å; Y462-V466 HydrophobicContact CE2-CG2 3.94Å; Y462-V466 PolarHBondContact O-N 3.23Å
463	T	97.2	Very high	95.1	Very high	41 Å²	41	65 Å²	65	25%	0.252	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-30.8	178	57.6	0	0	0	0	112.9	W459 E460 V466 P467	W459-T463 HydrophobicContact CD2-CG2 4.43Å; W459-T463 HydrophobicContact CG-CG2 4.48Å; W459-T463 HydrophobicContact CZ2-CG2 4.35Å; W459-T463 WeakPolarHBondContact O-CG2 3.36Å; W459-T463 PolarHBondContact O-N 3.22Å; W459-T463 PolarHBondContact O-OG1 3.2Å; E460-T463 WeakPolarHBondContact CA-OG1 3.45Å; E460-T463 PolarHBondContact O-N 3.41Å; E460-T463 PolarHBondContact O-OG1 3.03Å; T463-V466 CarbonylContact O-C 3.53Å; T463-V466 VanDerWaalsContact O-C 3.28Å; T463-P467 VanDerWaalsContact O-CA 3.22Å; T463-P467 WeakPolarHBondContact O-CA 3.28Å
464	A	97.3	Very high	95.4	Very high	81 Å²	81	68 Å²	68	67%	0.669	36%	0.362	S	S	*	.	H	α-helix	trans	-69.5	-37.6	172.9	0	0	0	0	0	111.9	E460 R461 Y462	E460-A464 WeakPolarHBondContact O-CB 3.33Å; E460-A464 PolarHBondContact O-N 3.06Å; R461-A464 PolarHBondContact O-N 3.22Å; Y462-A464 VanDerWaalsContact C-N 3.3Å; Y462-A464 PolarHBondContact O-N 3.37Å
465	A	97.1	Very high	95.6	Very high	53 Å²	53	68.1 Å²	68.1	44%	0.438	36%	0.362	S	S	.	.	H	α-helix	trans	-76.4	-30.6	178.4	0	0	0	0	0	113.2	I378 V396 R461 Y462	I378-A465 HydrophobicContact CD1-CB 4.46Å; V396-A465 HydrophobicContact CG1-CB 3.68Å; R461-A465 WeakPolarHBondContact O-CB 3.23Å; R461-A465 PolarHBondContact O-N 3.31Å; R461-A465 VanDerWaalsContact O-N 3.08Å; Y462-A465 PolarHBondContact O-N 3.33Å
466	V	97.6	Very high	95.8	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.006	38%	0.376	C	S	.	.	S	Bend	trans	-129	82	179.6	-169.4	0	0	0	0	107.9	V396 W400 R404 Y462 T463 Y468	V396-V466 HydrophobicContact CG1-CG2 3.75Å; W400-V466 WeakPolarHBondContact O-CG2 3.46Å; R404-V466 WeakPolarHBondContact CD-O 3.33Å; R404-V466 HydrophobicContact CG-CB 3.95Å; R404-V466 HydrophobicContact CG-CG1 3.75Å; R404-V466 WeakPolarHBondContact CG-O 3.36Å; R404-V466 PolarHBondContact NH1-O 3.41Å; Y462-V466 HydrophobicContact CD2-CG2 4.47Å; Y462-V466 HydrophobicContact CE2-CG2 3.94Å; Y462-V466 PolarHBondContact O-N 3.23Å; T463-V466 CarbonylContact O-C 3.53Å; T463-V466 VanDerWaalsContact O-C 3.28Å; V466-Y468 VanDerWaalsContact C-N 3.35Å; V466-Y468 PolarHBondContact O-N 2.88Å
467	P	97	Very high	96	Very high	75 Å²	75	72.4 Å²	72.4	49%	0.487	38%	0.378	S	S	.	.			trans	-70.9	-26.3	-168.6	25.9	-34.6	0	0	0	114.2	R404 T463	R404-P467 PolarHBondContact NH1-O 3.5Å; T463-P467 VanDerWaalsContact O-CA 3.22Å; T463-P467 WeakPolarHBondContact O-CA 3.28Å
468	Y	97.7	Very high	96.1	Very high	92 Å²	92	64.8 Å²	64.8	36%	0.361	36%	0.355	S	S	.	.			trans	-88.6	137.8	-176.8	-49.8	-68.1	0	0	0	112.4	A403 R404 V466 P472 G473 F475	A403-Y468 CarbonylContact C-O 3.57Å; A403-Y468 WeakPolarHBondContact CA-O 3.34Å; R404-Y468 PolarHBondContact N-O 3.41Å; V466-Y468 VanDerWaalsContact C-N 3.35Å; V466-Y468 PolarHBondContact O-N 2.88Å; Y468-P472 HydrophobicContact CD2-CB 3.88Å; Y468-P472 HydrophobicContact CE2-CB 4.24Å; Y468-P472 HydrophobicContact CG-CB 4.29Å; Y468-G473 VanDerWaalsContact CD1-N 3.27Å; Y468-G473 VanDerWaalsContact CE1-CA 3.46Å; Y468-G473 VanDerWaalsContact CZ-N 3.3Å; Y468-F475 CarbonylContact C-O 3.01Å; Y468-F475 WeakPolarHBondContact CA-O 3.43Å
469	R	96.5	Very high	96.1	Very high	69 Å²	69	66.8 Å²	66.8	26%	0.26	37%	0.366	S	S	.	.	S	Bend	trans	-75.6	-57.1	174.6	-70.1	-178.1	160.1	160.2	-3.1	110.9	H405 L445 E448 F475	H405-R469 WeakPolarHBondContact CA-O 3.35Å; H405-R469 WeakPolarHBondContact CB-O 3.12Å; H405-R469 PolarHBondContact N-O 2.92Å; L445-R469 VanDerWaalsContact CD2-CZ 3.42Å; E448-R469 WeakPolarHBondContact OE1-CG 3.42Å; E448-R469 IonicContact OE1-NE 3.24Å; E448-R469 IonicContact OE2-CZ 3.41Å; E448-R469 IonicContact OE2-NE 3.52Å; E448-R469 PolarHBondContact OE2-NE 3.49Å; E448-R469 IonicContact OE2-NH2 3.15Å; E448-R469 PolarHBondContact OE2-NH2 3.11Å; R469-F475 HydrophobicContact CB-CD1 3.85Å; R469-F475 HydrophobicContact CB-CE1 3.84Å; R469-F475 HydrophobicContact CB-CZ 4.49Å; R469-F475 WeakPolarHBondContact CB-O 3Å; R469-F475 VanDerWaalsContact CD-CE1 3.43Å; R469-F475 HydrophobicContact CG-CD1 4.49Å; R469-F475 HydrophobicContact CG-CE1 4.2Å; R469-F475 HydrophobicContact CG-CZ 4.37Å; R469-F475 PolarHBondContact N-O 2.98Å
470	L	94.7	Very high	96.1	Very high	11 Å²	11	69.8 Å²	69.8	6%	0.058	38%	0.384	C	S	.	.	S	Bend	trans	-124.4	-75.3	-171.4	-67.3	174.2	0	0	0	110.9	A403 H405 Y408 V409 P472 F475	A403-L470 VanDerWaalsContact CB-O 3.26Å; A403-L470 WeakPolarHBondContact CB-O 3.43Å; H405-L470 HydrophobicContact CB-CD2 3.83Å; Y408-L470 HydrophobicContact CD2-CD2 4.04Å; Y408-L470 HydrophobicContact CG-CD2 4.33Å; V409-L470 HydrophobicContact CG2-CB 4.27Å; V409-L470 WeakPolarHBondContact CG2-O 3.36Å; L470-P472 WeakPolarHBondContact O-CD 3.47Å; L470-F475 WeakPolarHBondContact CA-OXT 3.38Å; L470-F475 HydrophobicContact CB-CD1 4.44Å; L470-F475 HydrophobicContact CD1-CD1 4.13Å; L470-F475 HydrophobicContact CD1-CE1 4.28Å; L470-F475 HydrophobicContact CG-CD1 4.36Å; L470-F475 PolarHBondContact N-OXT 3.4Å
471	L	94.9	Very high	96.1	Very high	82 Å²	82	66.1 Å²	66.1	43%	0.429	37%	0.371	S	S	.	.	S	Bend	trans	-98.4	111.4	-172.8	-68.5	177.4	0	0	0	109.3	V409 G473 I474 F475	V409-L471 HydrophobicContact CG1-CD2 3.88Å; V409-L471 HydrophobicContact CG2-CD2 3.97Å; L471-G473 PolarHBondContact O-N 3.08Å; L471-I474 HydrophobicContact CB-CB 4.1Å; L471-I474 HydrophobicContact CB-CD1 4.28Å; L471-I474 HydrophobicContact CD1-CD1 4.19Å; L471-I474 PolarHBondContact O-N 3.06Å; L471-F475 PolarHBondContact N-OXT 2.81Å; L471-F475 PolarHBondContact O-N 3.08Å; L471-F475 VanDerWaalsContact O-N 3.11Å
472	P	94.3	Very high	96.1	Very high	59 Å²	59	60.6 Å²	60.6	38%	0.383	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.2	178.1	-25.3	34.6	0	0	0	112.1	V402 A403 F406 Y468 L470 I474	V402-P472 HydrophobicContact CG1-CG 3.49Å; V402-P472 VanDerWaalsContact CG1-CG 3.49Å; A403-P472 HydrophobicContact CB-CG 4.5Å; F406-P472 HydrophobicContact CD2-CG 4.47Å; F406-P472 HydrophobicContact CE2-CG 4.11Å; Y468-P472 HydrophobicContact CD2-CB 3.88Å; Y468-P472 HydrophobicContact CE2-CB 4.24Å; Y468-P472 HydrophobicContact CG-CB 4.29Å; L470-P472 WeakPolarHBondContact O-CD 3.47Å; P472-I474 VanDerWaalsContact C-N 3.35Å
473	G	94.6	Very high	96	Very high	57 Å²	57	64.5 Å²	64.5	59%	0.588	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-5.3	-177.8	0	0	0	0	0	115.3	Y468 L471	Y468-G473 VanDerWaalsContact CD1-N 3.27Å; Y468-G473 VanDerWaalsContact CE1-CA 3.46Å; Y468-G473 VanDerWaalsContact CZ-N 3.3Å; L471-G473 PolarHBondContact O-N 3.08Å
474	I	95.1	Very high	95.9	Very high	137 Å²	137	66.5 Å²	66.5	70%	0.703	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-62.2	-178.8	-57.8	175.2	0	0	0	111.1	L471 P472	L471-I474 HydrophobicContact CB-CB 4.1Å; L471-I474 HydrophobicContact CB-CD1 4.28Å; L471-I474 HydrophobicContact CD1-CD1 4.19Å; L471-I474 PolarHBondContact O-N 3.06Å; P472-I474 VanDerWaalsContact C-N 3.35Å
475	F	93.6	Very high	95.7	Very high	81 Å²	81	65.2 Å²	65.2	36%	0.355	37%	0.37	S	S	.	.			trans	-152.9	0	-176	179.8	-105.9	0	0	0	109.6	T441 L445 Y468 R469 L470 L471	T441-F475 HydrophobicContact CG2-CE1 4.22Å; T441-F475 HydrophobicContact CG2-CZ 4.41Å; L445-F475 HydrophobicContact CD2-CZ 4.46Å; Y468-F475 CarbonylContact C-O 3.01Å; Y468-F475 WeakPolarHBondContact CA-O 3.43Å; R469-F475 HydrophobicContact CB-CD1 3.85Å; R469-F475 HydrophobicContact CB-CE1 3.84Å; R469-F475 HydrophobicContact CB-CZ 4.49Å; R469-F475 WeakPolarHBondContact CB-O 3Å; R469-F475 VanDerWaalsContact CD-CE1 3.43Å; R469-F475 HydrophobicContact CG-CD1 4.49Å; R469-F475 HydrophobicContact CG-CE1 4.2Å; R469-F475 HydrophobicContact CG-CZ 4.37Å; R469-F475 PolarHBondContact N-O 2.98Å; L470-F475 WeakPolarHBondContact CA-OXT 3.38Å; L470-F475 HydrophobicContact CB-CD1 4.44Å; L470-F475 HydrophobicContact CD1-CD1 4.13Å; L470-F475 HydrophobicContact CD1-CE1 4.28Å; L470-F475 HydrophobicContact CG-CD1 4.36Å; L470-F475 PolarHBondContact N-OXT 3.4Å; L471-F475 PolarHBondContact N-OXT 2.81Å; L471-F475 PolarHBondContact O-N 3.08Å; L471-F475 VanDerWaalsContact O-N 3.11Å

Retrieved 475 of 475 residues in 109.2 ms (Link to these results)

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