X5DNI9_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 , UniProt , Accession X5DNI9, Species HUMAN (Homo sapiens, Human), Gene DHCR7, Length 475 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	30	Very low	242 Å²	242	154 Å²	154	100%	1.192	85%	0.852	S	S	*	*				0	135	0	-73.1	177.9	-166.2	0	0	108.4
2	A	30.8	Very low	29.8	Very low	97 Å²	97	149.4 Å²	149.4	80%	0.802	85%	0.849	S	S	*	*			trans	59.5	101.6	169.2	0	0	0	0	0	117.7
3	A	28.4	Very low	29.6	Very low	96 Å²	96	153.5 Å²	153.5	79%	0.793	85%	0.852	S	S	*	*				71.4	99.8	73.9	0	0	0	0	0	112.5
4	K	27.1	Very low	29.2	Very low	214 Å²	214	149.1 Å²	149.1	93%	0.93	84%	0.837	S	S	*	*				68.7	128.8	94.1	-84.9	-170.1	179.8	-179.2	0	115.1
5	S	32	Very low	29.3	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	84%	0.844	S	S	*	*			trans	-53.7	148.8	-179.2	53	0	0	0	0	117.2
6	Q	29.3	Very low	29.2	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	84%	0.84	S	S	*	*			trans	-154.6	164.6	150.1	-106.5	-157.8	8.1	0	0	110.9
7	P	29.3	Very low	29.2	Very low	106 Å²	106	145.8 Å²	145.8	69%	0.688	83%	0.83	S	S	*	*				-113	175.3	-128.9	22.5	-0.5	0	0	0	115.5	I9	P7-I9 PolarHBondContact O-N 3.05Å
8	N	31.4	Very low	29.4	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	83%	0.832	S	S	*	*			trans	-37.1	119.1	172.8	-85.6	-24.4	0	0	0	114.5
9	I	30.6	Very low	29.3	Very low	157 Å²	157	144.9 Å²	144.9	81%	0.805	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-88.6	121.7	166.1	-60.1	174.4	0	0	0	108.1	P7	P7-I9 PolarHBondContact O-N 3.05Å
10	P	29.2	Very low	29.4	Very low	115 Å²	115	143.6 Å²	143.6	75%	0.747	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.1	131.4	170.1	-12	26.7	0	0	0	110.1	A12	P10-A12 PolarHBondContact O-N 3.33Å
11	K	30.1	Very low	29.3	Very low	203 Å²	203	144 Å²	144	88%	0.883	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-52	135.5	172.1	-76.7	178.3	175	178.2	0	110.7	K13	K11-K13 PolarHBondContact O-N 3.18Å
12	A	27.2	Very low	29.3	Very low	99 Å²	99	142.6 Å²	142.6	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-49.6	129.4	174.3	0	0	0	0	0	111.5	P10 S14	P10-A12 PolarHBondContact O-N 3.33Å; A12-S14 PolarHBondContact O-N 3.21Å
13	K	27.3	Very low	29.2	Very low	202 Å²	202	143.1 Å²	143.1	88%	0.878	80%	0.795	S	S	*	*			trans	-67.1	112.7	161.3	-84.2	178.9	172.4	177.8	0	107.4	K11 L15	K11-K13 PolarHBondContact O-N 3.18Å; K13-L15 PolarHBondContact O-N 3.21Å
14	S	24.7	Very low	29.4	Very low	93 Å²	93	141.9 Å²	141.9	65%	0.65	79%	0.785	S	S	*	*			trans	-67.2	126.9	162.4	58	0	0	0	0	108.3	A12 D16	A12-S14 PolarHBondContact O-N 3.21Å; S14-D16 PolarHBondContact O-N 3.35Å
15	L	29.7	Very low	29.9	Very low	178 Å²	178	135.5 Å²	135.5	93%	0.932	77%	0.768	S	S	*	*			trans	-77	66.6	167.2	-95.5	131.8	0	0	0	108.5	K13	K13-L15 PolarHBondContact O-N 3.21Å
16	D	28.1	Very low	30.3	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	76%	0.764	S	S	*	*			trans	-114.7	82.5	170.9	-71.6	-40.9	0	0	0	108.4	S14	S14-D16 PolarHBondContact O-N 3.35Å
17	G	30.1	Very low	31.1	Very low	65 Å²	65	129.9 Å²	129.9	67%	0.67	74%	0.738	S	S	*	*			trans	-160.5	35.8	-177.9	0	0	0	0	0	112.6
18	V	31.6	Very low	32.6	Very low	143 Å²	143	132.3 Å²	132.3	87%	0.867	74%	0.74	S	S	*	*			trans	-138.4	60.5	165	-168.9	0	0	0	0	107.8	N20	V18-N20 PolarHBondContact O-N 2.87Å
19	T	27.7	Very low	34.4	Very low	133 Å²	133	127.9 Å²	127.9	82%	0.816	71%	0.711	S	S	*	*			trans	-78.9	96.3	167.5	36.5	0	0	0	0	108.9	D21	T19-D21 PolarHBondContact O-N 3.09Å; T19-D21 VanDerWaalsContact O-N 3.17Å
20	N	30.7	Very low	36.3	Very low	117 Å²	117	122.4 Å²	122.4	63%	0.626	69%	0.693	S	S	*	*			trans	20	80.8	145.9	-76.7	-27.1	0	0	0	117.4	V18 R22 T23	V18-N20 PolarHBondContact O-N 2.87Å; N20-R22 PolarHBondContact O-N 3.44Å; N20-T23 PolarHBondContact O-OG1 3.44Å
21	D	29.2	Very low	38.7	Very low	153 Å²	153	117.6 Å²	117.6	82%	0.818	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	3.4	157.8	-105.7	-20.3	0	0	0	112.8	T19	T19-D21 PolarHBondContact O-N 3.09Å; T19-D21 VanDerWaalsContact O-N 3.17Å
22	R	29.8	Very low	40.9	Very low	212 Å²	212	109.8 Å²	109.8	80%	0.8	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-21.9	-179.1	-80.2	-174.9	174.3	178.1	-0.3	114.1	N20 S25	N20-R22 PolarHBondContact O-N 3.44Å; R22-S25 PolarHBondContact O-OG 3.19Å
23	T	29.8	Very low	43	Very low	108 Å²	108	110.8 Å²	110.8	66%	0.663	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-19.1	-179.6	41.7	0	0	0	0	113.3	N20 S25	N20-T23 PolarHBondContact O-OG1 3.44Å; T23-S25 VanDerWaalsContact C-N 3.3Å; T23-S25 PolarHBondContact O-N 2.72Å
24	A	31.7	Very low	45.4	Very low	70 Å²	70	108.8 Å²	108.8	58%	0.579	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-8.2	179.2	0	0	0	0	0	114.6
25	S	38.9	Very low	48.2	Very low	80 Å²	80	106 Å²	106	56%	0.559	59%	0.589	S	S	*	*	S	Bend	trans	-98.7	-19.3	-174.9	70.4	0	0	0	0	115	R22 T23 G27	R22-S25 PolarHBondContact O-OG 3.19Å; T23-S25 VanDerWaalsContact C-N 3.3Å; T23-S25 PolarHBondContact O-N 2.72Å; S25-G27 PolarHBondContact O-N 2.93Å
26	Q	39	Very low	51	Low	149 Å²	149	101.4 Å²	101.4	70%	0.696	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	82.9	179.3	-80.2	-177.8	-29.1	0	0	110.2
27	G	48.2	Very low	53.9	Low	33 Å²	33	104.3 Å²	104.3	34%	0.34	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	168.4	-16.2	171.2	0	0	0	0	0	118.4	S25 W29	S25-G27 PolarHBondContact O-N 2.93Å; G27-W29 PolarHBondContact O-N 3.45Å
28	Q	59.3	Low	56.6	Low	156 Å²	156	108.2 Å²	108.2	73%	0.729	56%	0.564	S	S	*	*	S	Bend	trans	-89.7	3.6	-162.3	-65.9	-167.9	-12.9	0	0	117.1
29	W	69.1	Low	59.3	Low	73 Å²	73	102.9 Å²	102.9	28%	0.277	53%	0.534	S	S	.	.	S	Bend	trans	-132.5	151.5	-173.9	71.1	-95.3	0	0	0	114.2	G27 P136 K210 F225 H301	G27-W29 PolarHBondContact O-N 3.45Å; W29-P136 HydrophobicContact CD2-CB 3.51Å; W29-P136 HydrophobicContact CD2-CG 3.38Å; W29-P136 HydrophobicContact CE3-CB 3.95Å; W29-P136 HydrophobicContact CE3-CG 3.3Å; W29-P136 HydrophobicContact CG-CB 3.96Å; W29-P136 HydrophobicContact CG-CG 4Å; W29-P136 HydrophobicContact CH2-CB 3.92Å; W29-P136 HydrophobicContact CH2-CG 3.76Å; W29-P136 HydrophobicContact CZ2-CB 3.52Å; W29-P136 HydrophobicContact CZ2-CG 3.86Å; W29-P136 HydrophobicContact CZ3-CB 4.13Å; W29-P136 HydrophobicContact CZ3-CG 3.49Å; W29-P136 VanDerWaalsContact CZ3-CG 3.49Å; W29-K210 PolarHBondContact O-NZ 3.03Å; W29-F225 HydrophobicContact CH2-CB 4.21Å; W29-F225 HydrophobicContact CH2-CG 4.47Å; W29-F225 HydrophobicContact CZ3-CB 4.21Å; W29-F225 HydrophobicContact CZ3-CD2 4.22Å; W29-F225 HydrophobicContact CZ3-CG 4.07Å; W29-H301 AromaticContact CH2-NE2 3.67Å; W29-H301 AromaticContact CZ3-CE1 3.33Å; W29-H301 WeakPolarHBondContact CZ3-CE1 3.45Å; W29-H301 AromaticContact CZ3-NE2 3.41Å; W29-H301 WeakPolarHBondContact CZ3-NE2 3.28Å
30	G	70.8	Confident	62.3	Low	41 Å²	41	98.4 Å²	98.4	42%	0.423	51%	0.505	S	S	.	.	S	Bend	trans	76.7	-142.6	172.6	0	0	0	0	0	115.2
31	R	79.8	Confident	65.2	Low	14 Å²	14	94.6 Å²	94.6	5%	0.053	49%	0.489	C	S	.	.	S	Bend	trans	-61.6	168.7	176.4	63.6	-169.4	-123	88.4	-1.6	112.6	K210 T212 Y217 N218 G222	R31-K210 HydrophobicContact CG-CB 4.45Å; R31-K210 HydrophobicContact CG-CD 3.87Å; R31-K210 HydrophobicContact CG-CG 4.21Å; R31-K210 PolarHBondContact NE-O 2.86Å; R31-K210 WeakPolarHBondContact O-CE 3.28Å; R31-K210 PolarHBondContact O-NZ 3.41Å; R31-T212 PolarHBondContact NH2-OG1 2.88Å; R31-Y217 VanDerWaalsContact CZ-CE1 3.47Å; R31-Y217 PolarHBondContact NH1-O 3.4Å; R31-Y217 VanDerWaalsContact NH2-CD1 3.3Å; R31-N218 PolarHBondContact NH2-OD1 2.8Å; R31-G222 WeakPolarHBondContact CD-O 3.32Å; R31-G222 PolarHBondContact NE-O 3.3Å
32	A	76.5	Confident	68.2	Low	40 Å²	40	89.3 Å²	89.3	33%	0.331	46%	0.464	S	S	.	.			trans	-61.9	148	179.1	0	0	0	0	0	111.8	K210 T212 Y217	A32-K210 WeakPolarHBondContact O-CE 3.41Å; A32-T212 WeakPolarHBondContact O-CG2 3.38Å; A32-Y217 HydrophobicContact CB-CE1 4.18Å; A32-Y217 WeakPolarHBondContact CB-OH 3.37Å; A32-Y217 PolarHBondContact N-OH 2.83Å; A32-Y217 VanDerWaalsContact N-OH 3.15Å
33	W	71.5	Confident	71.2	Confident	119 Å²	119	79.6 Å²	79.6	45%	0.451	43%	0.429	S	S	.	.	S	Bend	trans	-91	-40.5	176.4	-176	-90.8	0	0	0	111.5	K210 T212	W33-K210 HydrophobicContact CE3-CD 4.09Å; W33-K210 HydrophobicContact CE3-CG 4.02Å; W33-K210 HydrophobicContact CZ3-CG 4.13Å; W33-T212 WeakPolarHBondContact O-CB 3.32Å; W33-T212 VanDerWaalsContact O-CG2 3.31Å; W33-T212 WeakPolarHBondContact O-CG2 3.36Å
34	E	77.8	Confident	74.3	Confident	160 Å²	160	77.3 Å²	77.3	75%	0.748	41%	0.412	S	S	*	.	S	Bend	trans	-104.8	140.2	172.4	-60.6	-174	168.9	0	0	109.1
35	V	83.7	Confident	77.3	Confident	35 Å²	35	79.1 Å²	79.1	21%	0.212	41%	0.407	C	S	.	.			trans	-106.9	103.8	179.8	-171.2	0	0	0	0	107.3	L40 T212 N214 Y217	V35-L40 HydrophobicContact CG1-CB 3.97Å; V35-T212 HydrophobicContact CG2-CG2 4.32Å; V35-T212 WeakPolarHBondContact CG2-OG1 3.48Å; V35-N214 HydrophobicContact CB-CB 4.42Å; V35-N214 HydrophobicContact CG2-CB 4.1Å; V35-Y217 HydrophobicContact CB-CG 4.34Å; V35-Y217 HydrophobicContact CG1-CD2 3.85Å; V35-Y217 HydrophobicContact CG1-CG 3.9Å; V35-Y217 HydrophobicContact CG2-CD1 3.25Å; V35-Y217 HydrophobicContact CG2-CD2 4.08Å; V35-Y217 HydrophobicContact CG2-CE1 3.81Å; V35-Y217 HydrophobicContact CG2-CG 3.44Å; V35-Y217 VanDerWaalsContact CG2-CG 3.44Å
36	D	87.8	Confident	79.9	Confident	82 Å²	82	79 Å²	79	44%	0.439	40%	0.399	S	S	.	.			trans	-69.6	162.2	171.1	69.6	88.7	0	0	0	110.8	F38 S39 L40	D36-F38 VanDerWaalsContact C-N 3.27Å; D36-F38 PolarHBondContact O-N 3.37Å; D36-F38 WeakPolarHBondContact OD1-CA 3.37Å; D36-F38 VanDerWaalsContact OD1-CB 3.24Å; D36-F38 WeakPolarHBondContact OD1-CB 3.29Å; D36-F38 PolarHBondContact OD1-N 3.26Å; D36-S39 PolarHBondContact O-N 2.91Å; D36-S39 PolarHBondContact OD1-N 3.15Å; D36-S39 WeakPolarHBondContact OD2-CB 3Å; D36-S39 PolarHBondContact OD2-OG 3.11Å; D36-L40 PolarHBondContact O-N 3.03Å
37	W	88.8	Confident	82.6	Confident	208 Å²	208	73 Å²	73	79%	0.788	37%	0.372	S	S	*	.	H	α-helix	trans	-61.6	-34.4	-176.4	-179.2	85.6	0	0	0	112.8	L40 A41	W37-L40 PolarHBondContact O-N 3.46Å; W37-A41 WeakPolarHBondContact O-CB 3.42Å; W37-A41 PolarHBondContact O-N 2.88Å
38	F	88.1	Confident	84.7	Confident	146 Å²	146	77 Å²	77	64%	0.64	39%	0.385	S	S	*	.	H	α-helix	trans	-69.9	-42.5	178.4	175.4	-91.8	0	0	0	111.2	D36 L40 A41 S42	D36-F38 VanDerWaalsContact C-N 3.27Å; D36-F38 PolarHBondContact O-N 3.37Å; D36-F38 WeakPolarHBondContact OD1-CA 3.37Å; D36-F38 VanDerWaalsContact OD1-CB 3.24Å; D36-F38 WeakPolarHBondContact OD1-CB 3.29Å; D36-F38 PolarHBondContact OD1-N 3.26Å; F38-L40 VanDerWaalsContact C-N 3.33Å; F38-L40 PolarHBondContact O-N 3.31Å; F38-A41 PolarHBondContact O-N 3.38Å; F38-S42 VanDerWaalsContact O-CB 3.31Å; F38-S42 WeakPolarHBondContact O-CB 3.36Å; F38-S42 PolarHBondContact O-N 2.91Å; F38-S42 PolarHBondContact O-OG 2.82Å
39	S	86.9	Confident	86.4	Confident	32 Å²	32	73.9 Å²	73.9	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-58.7	-44.6	172.2	-72	0	0	0	0	111.7	D36 S42 V43	D36-S39 PolarHBondContact O-N 2.91Å; D36-S39 PolarHBondContact OD1-N 3.15Å; D36-S39 WeakPolarHBondContact OD2-CB 3Å; D36-S39 PolarHBondContact OD2-OG 3.11Å; S39-S42 PolarHBondContact O-N 3.09Å; S39-V43 WeakPolarHBondContact O-CG2 3.17Å; S39-V43 PolarHBondContact O-N 3.36Å
40	L	91.4	Very high	87.7	Confident	39 Å²	39	70.8 Å²	70.8	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-48.3	177.6	179.9	56.9	0	0	0	112.2	V35 D36 W37 F38 S42 V43 I44 N214 F216	V35-L40 HydrophobicContact CG1-CB 3.97Å; D36-L40 PolarHBondContact O-N 3.03Å; W37-L40 PolarHBondContact O-N 3.46Å; F38-L40 VanDerWaalsContact C-N 3.33Å; F38-L40 PolarHBondContact O-N 3.31Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 2.95Å; L40-V43 PolarHBondContact O-N 3.28Å; L40-I44 HydrophobicContact CD1-CD1 3.89Å; L40-I44 HydrophobicContact CD1-CG1 4.16Å; L40-I44 HydrophobicContact CG-CD1 3.96Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 3.39Å; L40-N214 VanDerWaalsContact CD1-ND2 3.27Å; L40-N214 WeakPolarHBondContact CD1-ND2 3.41Å; L40-N214 WeakPolarHBondContact CD1-OD1 3.36Å; L40-N214 WeakPolarHBondContact CD2-ND2 3.4Å; L40-F216 HydrophobicContact CD1-CB 4.08Å; L40-F216 HydrophobicContact CD1-CD2 4.44Å
41	A	92.3	Very high	88.9	Confident	37 Å²	37	70 Å²	70	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-42.5	177.8	0	0	0	0	0	111.3	W37 F38 I44 F45	W37-A41 WeakPolarHBondContact O-CB 3.42Å; W37-A41 PolarHBondContact O-N 2.88Å; F38-A41 PolarHBondContact O-N 3.38Å; A41-I44 PolarHBondContact O-N 2.84Å; A41-F45 VanDerWaalsContact O-CB 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.28Å; A41-F45 PolarHBondContact O-N 2.75Å
42	S	91.4	Very high	89.6	Confident	41 Å²	41	74.4 Å²	74.4	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-42.7	175.9	-60.1	0	0	0	0	112	F38 S39 L40 F45 L46	F38-S42 VanDerWaalsContact O-CB 3.31Å; F38-S42 WeakPolarHBondContact O-CB 3.36Å; F38-S42 PolarHBondContact O-N 2.91Å; F38-S42 PolarHBondContact O-OG 2.82Å; S39-S42 PolarHBondContact O-N 3.09Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 2.95Å; S42-F45 PolarHBondContact O-N 2.92Å; S42-L46 WeakPolarHBondContact O-CB 3.49Å; S42-L46 VanDerWaalsContact O-CG 3.29Å; S42-L46 WeakPolarHBondContact O-CG 3.37Å; S42-L46 PolarHBondContact O-N 3.32Å
43	V	93.7	Very high	90.6	Very high	9 Å²	9	74.9 Å²	74.9	6%	0.055	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-47.9	176.4	163.6	0	0	0	0	111.6	S39 L40 F45 L46 L47 F216 Y217 M220	S39-V43 WeakPolarHBondContact O-CG2 3.17Å; S39-V43 PolarHBondContact O-N 3.36Å; L40-V43 PolarHBondContact O-N 3.28Å; V43-F45 VanDerWaalsContact C-N 3.31Å; V43-F45 PolarHBondContact O-N 3.24Å; V43-L46 PolarHBondContact O-N 2.83Å; V43-L47 HydrophobicContact CG1-CD1 3.78Å; V43-L47 HydrophobicContact CG1-CG 4.34Å; V43-L47 WeakPolarHBondContact O-CB 3.29Å; V43-L47 VanDerWaalsContact O-CG 3.32Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 3.42Å; V43-F216 HydrophobicContact CG1-CB 4.17Å; V43-F216 WeakPolarHBondContact CG1-O 3.33Å; V43-Y217 HydrophobicContact CG2-CD2 3.78Å; V43-Y217 HydrophobicContact CG2-CE2 4.32Å; V43-M220 HydrophobicContact CB-CB 4.45Å; V43-M220 HydrophobicContact CB-CG 4.4Å; V43-M220 HydrophobicContact CG1-CB 3.47Å; V43-M220 VanDerWaalsContact CG1-CB 3.47Å; V43-M220 HydrophobicContact CG1-CG 3.83Å; V43-M220 HydrophobicContact CG2-CB 4.18Å; V43-M220 HydrophobicContact CG2-CG 3.91Å
44	I	94.1	Very high	91.8	Very high	60 Å²	60	69.2 Å²	69.2	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-43.5	178.8	-68.3	170.5	0	0	0	110.2	L40 A41 L46 L47 L48 F216	L40-I44 HydrophobicContact CD1-CD1 3.89Å; L40-I44 HydrophobicContact CD1-CG1 4.16Å; L40-I44 HydrophobicContact CG-CD1 3.96Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 3.39Å; A41-I44 PolarHBondContact O-N 2.84Å; I44-L46 PolarHBondContact O-N 3.2Å; I44-L47 PolarHBondContact O-N 3.02Å; I44-L48 HydrophobicContact CG2-CD1 3.97Å; I44-L48 WeakPolarHBondContact O-CG 3.26Å; I44-L48 PolarHBondContact O-N 2.8Å; I44-F216 HydrophobicContact CD1-CD2 4.32Å; I44-F216 HydrophobicContact CG1-CB 4.38Å; I44-F216 HydrophobicContact CG1-CD2 4.39Å; I44-F216 HydrophobicContact CG1-CG 4.21Å
45	F	94.4	Very high	92.7	Very high	108 Å²	108	63.2 Å²	63.2	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-56.5	-50.5	175.2	177.9	-93.7	0	0	0	111.2	A41 S42 V43 L47 L48 F49	A41-F45 VanDerWaalsContact O-CB 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.28Å; A41-F45 PolarHBondContact O-N 2.75Å; S42-F45 PolarHBondContact O-N 2.92Å; V43-F45 VanDerWaalsContact C-N 3.31Å; V43-F45 PolarHBondContact O-N 3.24Å; F45-L47 PolarHBondContact O-N 2.84Å; F45-L48 PolarHBondContact O-N 2.93Å; F45-F49 HydrophobicContact CD1-CD2 4.49Å; F45-F49 AromaticContact CD2-CD2 3.28Å; F45-F49 HydrophobicContact CD2-CD2 3.28Å; F45-F49 AromaticContact CD2-CE2 3.5Å; F45-F49 HydrophobicContact CD2-CE2 3.5Å; F45-F49 HydrophobicContact CD2-CG 4.05Å; F45-F49 HydrophobicContact CD2-CZ 4.41Å; F45-F49 HydrophobicContact CE1-CB 4.18Å; F45-F49 HydrophobicContact CE1-CD2 4.49Å; F45-F49 HydrophobicContact CE1-CG 4.4Å; F45-F49 HydrophobicContact CE2-CB 4.28Å; F45-F49 HydrophobicContact CE2-CD1 4.12Å; F45-F49 AromaticContact CE2-CD2 3.27Å; F45-F49 HydrophobicContact CE2-CD2 3.27Å; F45-F49 HydrophobicContact CE2-CE1 4.28Å; F45-F49 AromaticContact CE2-CE2 3.47Å; F45-F49 HydrophobicContact CE2-CE2 3.47Å; F45-F49 VanDerWaalsContact CE2-CE2 3.47Å; F45-F49 AromaticContact CE2-CG 3.62Å; F45-F49 HydrophobicContact CE2-CG 3.62Å; F45-F49 AromaticContact CE2-CZ 3.98Å; F45-F49 HydrophobicContact CE2-CZ 3.98Å; F45-F49 AromaticContact CG-CD2 3.93Å; F45-F49 HydrophobicContact CG-CD2 3.93Å; F45-F49 HydrophobicContact CZ-CB 4.04Å; F45-F49 HydrophobicContact CZ-CD1 4.29Å; F45-F49 AromaticContact CZ-CD2 3.92Å; F45-F49 HydrophobicContact CZ-CD2 3.92Å; F45-F49 HydrophobicContact CZ-CE2 4.46Å; F45-F49 AromaticContact CZ-CG 3.82Å; F45-F49 HydrophobicContact CZ-CG 3.82Å; F45-F49 WeakPolarHBondContact O-CB 3.29Å; F45-F49 WeakPolarHBondContact O-CD2 3.29Å; F45-F49 PolarHBondContact O-N 2.74Å
46	L	94.2	Very high	93.3	Very high	76 Å²	76	63.8 Å²	63.8	40%	0.398	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-40.2	-178.9	-71	172.3	0	0	0	113	S42 V43 I44 L48 A50 M220	S42-L46 WeakPolarHBondContact O-CB 3.49Å; S42-L46 VanDerWaalsContact O-CG 3.29Å; S42-L46 WeakPolarHBondContact O-CG 3.37Å; S42-L46 PolarHBondContact O-N 3.32Å; V43-L46 PolarHBondContact O-N 2.83Å; I44-L46 PolarHBondContact O-N 3.2Å; L46-L48 PolarHBondContact O-N 2.97Å; L46-A50 VanDerWaalsContact O-CB 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 3.22Å; L46-M220 HydrophobicContact CB-CE 3.95Å; L46-M220 HydrophobicContact CD1-CE 3.85Å
47	L	94.6	Very high	93.8	Very high	23 Å²	23	60.7 Å²	60.7	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-31.7	177.9	-74.4	170.7	0	0	0	112.7	V43 I44 F45 F216 Y219 M220 W304	V43-L47 HydrophobicContact CG1-CD1 3.78Å; V43-L47 HydrophobicContact CG1-CG 4.34Å; V43-L47 WeakPolarHBondContact O-CB 3.29Å; V43-L47 VanDerWaalsContact O-CG 3.32Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 3.42Å; I44-L47 PolarHBondContact O-N 3.02Å; F45-L47 PolarHBondContact O-N 2.84Å; L47-F216 HydrophobicContact CD1-CB 4.42Å; L47-F216 HydrophobicContact CD1-CD1 4.17Å; L47-Y219 HydrophobicContact CD2-CD1 4.07Å; L47-Y219 HydrophobicContact CD2-CE1 4.28Å; L47-M220 HydrophobicContact CD2-SD 3.91Å; L47-M220 HydrophobicContact CG-SD 4.11Å; L47-W304 HydrophobicContact CD2-CB 4.3Å; L47-W304 HydrophobicContact CD2-CD2 3.53Å; L47-W304 HydrophobicContact CD2-CE3 3.71Å; L47-W304 HydrophobicContact CD2-CG 3.83Å; L47-W304 HydrophobicContact CD2-CH2 4.45Å; L47-W304 HydrophobicContact CD2-CZ2 4.34Å; L47-W304 HydrophobicContact CD2-CZ3 4.17Å
48	L	92.4	Very high	94.2	Very high	117 Å²	117	50.9 Å²	50.9	61%	0.613	26%	0.256	S	S	*	.	H	α-helix	trans	-89.6	-46.8	179.5	-65.8	174	0	0	0	112.4	I44 F45 L46	I44-L48 HydrophobicContact CG2-CD1 3.97Å; I44-L48 WeakPolarHBondContact O-CG 3.26Å; I44-L48 PolarHBondContact O-N 2.8Å; F45-L48 PolarHBondContact O-N 2.93Å; L46-L48 PolarHBondContact O-N 2.97Å
49	F	94.9	Very high	94.5	Very high	92 Å²	92	44.1 Å²	44.1	40%	0.404	23%	0.226	S	C	.	.	H	α-helix	trans	-85.9	-30.9	-169.3	-80.2	-89.8	0	0	0	113.7	F45 F52 I53	F45-F49 HydrophobicContact CD1-CD2 4.49Å; F45-F49 AromaticContact CD2-CD2 3.28Å; F45-F49 HydrophobicContact CD2-CD2 3.28Å; F45-F49 AromaticContact CD2-CE2 3.5Å; F45-F49 HydrophobicContact CD2-CE2 3.5Å; F45-F49 HydrophobicContact CD2-CG 4.05Å; F45-F49 HydrophobicContact CD2-CZ 4.41Å; F45-F49 HydrophobicContact CE1-CB 4.18Å; F45-F49 HydrophobicContact CE1-CD2 4.49Å; F45-F49 HydrophobicContact CE1-CG 4.4Å; F45-F49 HydrophobicContact CE2-CB 4.28Å; F45-F49 HydrophobicContact CE2-CD1 4.12Å; F45-F49 AromaticContact CE2-CD2 3.27Å; F45-F49 HydrophobicContact CE2-CD2 3.27Å; F45-F49 HydrophobicContact CE2-CE1 4.28Å; F45-F49 AromaticContact CE2-CE2 3.47Å; F45-F49 HydrophobicContact CE2-CE2 3.47Å; F45-F49 VanDerWaalsContact CE2-CE2 3.47Å; F45-F49 AromaticContact CE2-CG 3.62Å; F45-F49 HydrophobicContact CE2-CG 3.62Å; F45-F49 AromaticContact CE2-CZ 3.98Å; F45-F49 HydrophobicContact CE2-CZ 3.98Å; F45-F49 AromaticContact CG-CD2 3.93Å; F45-F49 HydrophobicContact CG-CD2 3.93Å; F45-F49 HydrophobicContact CZ-CB 4.04Å; F45-F49 HydrophobicContact CZ-CD1 4.29Å; F45-F49 AromaticContact CZ-CD2 3.92Å; F45-F49 HydrophobicContact CZ-CD2 3.92Å; F45-F49 HydrophobicContact CZ-CE2 4.46Å; F45-F49 AromaticContact CZ-CG 3.82Å; F45-F49 HydrophobicContact CZ-CG 3.82Å; F45-F49 WeakPolarHBondContact O-CB 3.29Å; F45-F49 WeakPolarHBondContact O-CD2 3.29Å; F45-F49 PolarHBondContact O-N 2.74Å; F49-F52 WeakPolarHBondContact O-CB 3.48Å; F49-F52 PolarHBondContact O-N 3.35Å; F49-I53 WeakPolarHBondContact O-CB 3.36Å; F49-I53 VanDerWaalsContact O-CG1 3.24Å; F49-I53 WeakPolarHBondContact O-CG1 3.48Å; F49-I53 PolarHBondContact O-N 2.94Å
50	A	96.2	Very high	95	Very high	7 Å²	7	42.6 Å²	42.6	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-42.8	-177.5	0	0	0	0	0	113.1	L46 F52 I53 V54 W304 W308 W313	L46-A50 VanDerWaalsContact O-CB 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 3.22Å; A50-F52 VanDerWaalsContact C-N 3.31Å; A50-F52 PolarHBondContact O-N 3.46Å; A50-I53 PolarHBondContact O-N 3.5Å; A50-V54 PolarHBondContact O-N 2.8Å; A50-V54 VanDerWaalsContact O-N 3.09Å; A50-W304 HydrophobicContact CB-CH2 4.11Å; A50-W308 HydrophobicContact CB-CH2 3.93Å; A50-W308 HydrophobicContact CB-CZ3 3.86Å; A50-W313 HydrophobicContact CB-CE3 4.23Å; A50-W313 HydrophobicContact CB-CZ3 3.91Å
51	P	96.5	Very high	95.2	Very high	24 Å²	24	40.8 Å²	40.8	16%	0.156	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-39.7	171.6	-21.7	32.9	0	0	0	112.9	V54 Y55 Y189 W304 W308	P51-V54 PolarHBondContact O-N 2.86Å; P51-Y55 WeakPolarHBondContact O-CB 3.42Å; P51-Y55 PolarHBondContact O-N 2.79Å; P51-Y189 VanDerWaalsContact CG-OH 3.23Å; P51-Y189 WeakPolarHBondContact CG-OH 3.09Å; P51-W304 HydrophobicContact CG-CH2 4.41Å; P51-W304 HydrophobicContact CG-CZ2 3.93Å; P51-W308 HydrophobicContact CB-CZ2 4.03Å; P51-W308 HydrophobicContact CG-CH2 4.47Å; P51-W308 HydrophobicContact CG-CZ2 3.93Å
52	F	95.3	Very high	95.3	Very high	107 Å²	107	42.1 Å²	42.1	47%	0.469	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-42.9	175.9	176	-99.2	0	0	0	111.8	F49 A50 Y55 Y56	F49-F52 WeakPolarHBondContact O-CB 3.48Å; F49-F52 PolarHBondContact O-N 3.35Å; A50-F52 VanDerWaalsContact C-N 3.31Å; A50-F52 PolarHBondContact O-N 3.46Å; F52-Y55 PolarHBondContact O-N 2.88Å; F52-Y56 HydrophobicContact CZ-CD2 4.25Å; F52-Y56 WeakPolarHBondContact O-CB 3.43Å; F52-Y56 PolarHBondContact O-N 3.41Å
53	I	96.3	Very high	95.5	Very high	50 Å²	50	42.2 Å²	42.2	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-59.3	-49.3	176.2	-72.4	164.6	0	0	0	110	F49 A50 Y55 Y56 F57 W313 F431	F49-I53 WeakPolarHBondContact O-CB 3.36Å; F49-I53 VanDerWaalsContact O-CG1 3.24Å; F49-I53 WeakPolarHBondContact O-CG1 3.48Å; F49-I53 PolarHBondContact O-N 2.94Å; A50-I53 PolarHBondContact O-N 3.5Å; I53-Y55 PolarHBondContact O-N 3.24Å; I53-Y56 PolarHBondContact O-N 3.29Å; I53-F57 HydrophobicContact CG2-CD1 3.87Å; I53-F57 HydrophobicContact CG2-CE1 3.78Å; I53-F57 WeakPolarHBondContact O-CD1 3.34Å; I53-F57 PolarHBondContact O-N 3.36Å; I53-W313 HydrophobicContact CG2-CH2 4.34Å; I53-W313 HydrophobicContact CG2-CZ3 4.31Å; I53-F431 HydrophobicContact CG2-CZ 4.4Å
54	V	97.7	Very high	95.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-50.7	178.8	178.1	0	0	0	0	110.5	A50 P51 Y56 F57 I58 L181 W308 V312 W313 Y316 L317	A50-V54 PolarHBondContact O-N 2.8Å; A50-V54 VanDerWaalsContact O-N 3.09Å; P51-V54 PolarHBondContact O-N 2.86Å; V54-Y56 VanDerWaalsContact C-N 3.33Å; V54-Y56 PolarHBondContact O-N 3.29Å; V54-F57 PolarHBondContact O-N 3.04Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 WeakPolarHBondContact O-CG1 3.44Å; V54-I58 PolarHBondContact O-N 2.61Å; V54-I58 VanDerWaalsContact O-N 3.08Å; V54-L181 HydrophobicContact CG1-CD1 3.68Å; V54-W308 HydrophobicContact CG2-CH2 3.69Å; V54-W308 HydrophobicContact CG2-CZ2 4.14Å; V54-V312 HydrophobicContact CB-CG1 4.45Å; V54-V312 HydrophobicContact CG1-CG1 3.97Å; V54-V312 HydrophobicContact CG2-CG1 4.3Å; V54-W313 HydrophobicContact CG2-CE3 3.98Å; V54-W313 HydrophobicContact CG2-CZ3 4.42Å; V54-Y316 HydrophobicContact CG1-CG 4.24Å; V54-L317 HydrophobicContact CG2-CD1 3.89Å; V54-L317 HydrophobicContact CG2-CD2 4.17Å; V54-L317 HydrophobicContact CG2-CG 4Å
55	Y	96.6	Very high	95.7	Very high	34 Å²	34	44 Å²	44	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-55.3	-48.6	177.1	174.1	-92.3	0	0	0	112.1	P51 F52 I53 F57 I58 M59 W86 T89 W182	P51-Y55 WeakPolarHBondContact O-CB 3.42Å; P51-Y55 PolarHBondContact O-N 2.79Å; F52-Y55 PolarHBondContact O-N 2.88Å; I53-Y55 PolarHBondContact O-N 3.24Å; Y55-F57 VanDerWaalsContact C-N 3.35Å; Y55-F57 PolarHBondContact O-N 3.34Å; Y55-I58 PolarHBondContact O-N 3.34Å; Y55-M59 HydrophobicContact CD1-CG 4.11Å; Y55-M59 HydrophobicContact CD2-CG 4.17Å; Y55-M59 HydrophobicContact CE1-CG 3.64Å; Y55-M59 HydrophobicContact CE2-CG 3.72Å; Y55-M59 HydrophobicContact CE2-SD 4.11Å; Y55-M59 HydrophobicContact CG-CG 4.35Å; Y55-M59 VanDerWaalsContact CZ-CG 3.43Å; Y55-M59 WeakPolarHBondContact O-CG 3.3Å; Y55-M59 PolarHBondContact O-N 2.9Å; Y55-W86 HydrophobicContact CE2-CE3 4.25Å; Y55-W86 AromaticContact CE2-CZ3 3.95Å; Y55-W86 HydrophobicContact CE2-CZ3 3.95Å; Y55-W86 AromaticContact CZ-CE3 3.87Å; Y55-W86 AromaticContact CZ-CZ3 4Å; Y55-T89 HydrophobicContact CE2-CG2 3.89Å; Y55-T89 PolarHBondContact OH-OG1 3.32Å; Y55-W182 AromaticContact CD2-CH2 3.86Å; Y55-W182 HydrophobicContact CD2-CH2 3.86Å; Y55-W182 HydrophobicContact CD2-CZ2 4.18Å; Y55-W182 AromaticContact CE2-CH2 3.95Å; Y55-W182 HydrophobicContact CE2-CH2 3.95Å; Y55-W182 AromaticContact CE2-CZ2 3.97Å; Y55-W182 HydrophobicContact CE2-CZ2 3.97Å
56	Y	96.4	Very high	95.8	Very high	46 Å²	46	38.9 Å²	38.9	18%	0.18	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-47.2	-179.6	-178	-94.6	0	0	0	111.8	F52 I53 V54 M59 A60 L68 P71 V72	F52-Y56 HydrophobicContact CZ-CD2 4.25Å; F52-Y56 WeakPolarHBondContact O-CB 3.43Å; F52-Y56 PolarHBondContact O-N 3.41Å; I53-Y56 PolarHBondContact O-N 3.29Å; V54-Y56 VanDerWaalsContact C-N 3.33Å; V54-Y56 PolarHBondContact O-N 3.29Å; Y56-M59 PolarHBondContact O-N 3.15Å; Y56-A60 VanDerWaalsContact O-CB 3.24Å; Y56-A60 WeakPolarHBondContact O-CB 3.35Å; Y56-A60 PolarHBondContact O-N 3.31Å; Y56-L68 HydrophobicContact CD1-CD2 4.16Å; Y56-L68 HydrophobicContact CE1-CD2 3.84Å; Y56-L68 PolarHBondContact OH-O 3.46Å; Y56-P71 HydrophobicContact CE2-CB 3.84Å; Y56-P71 HydrophobicContact CE2-CG 4.04Å; Y56-V72 WeakPolarHBondContact OH-CG2 3.38Å
57	F	97.5	Very high	95.9	Very high	17 Å²	17	36.4 Å²	36.4	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-42.4	-179.6	-85.8	61.6	0	0	0	111.8	I53 V54 Y55 A60 C61 L68 L317 L320 L428 F431	I53-F57 HydrophobicContact CG2-CD1 3.87Å; I53-F57 HydrophobicContact CG2-CE1 3.78Å; I53-F57 WeakPolarHBondContact O-CD1 3.34Å; I53-F57 PolarHBondContact O-N 3.36Å; V54-F57 PolarHBondContact O-N 3.04Å; Y55-F57 VanDerWaalsContact C-N 3.35Å; Y55-F57 PolarHBondContact O-N 3.34Å; F57-A60 PolarHBondContact O-N 2.85Å; F57-C61 PolarHBondContact O-N 3.06Å; F57-C61 VanDerWaalsContact O-N 3.07Å; F57-L68 HydrophobicContact CD1-CD2 4.09Å; F57-L68 HydrophobicContact CD2-CD2 3.97Å; F57-L68 HydrophobicContact CE1-CD2 4.06Å; F57-L68 HydrophobicContact CE2-CD1 3.98Å; F57-L68 HydrophobicContact CE2-CD2 3.91Å; F57-L68 HydrophobicContact CG-CD2 4.08Å; F57-L68 HydrophobicContact CZ-CD1 3.93Å; F57-L68 HydrophobicContact CZ-CD2 3.97Å; F57-L317 HydrophobicContact CB-CD2 4.27Å; F57-L317 HydrophobicContact CG-CD2 4.44Å; F57-L320 HydrophobicContact CB-CD2 4.33Å; F57-L320 HydrophobicContact CD2-CD1 3.67Å; F57-L320 HydrophobicContact CD2-CD2 4.29Å; F57-L320 HydrophobicContact CE2-CD1 4.15Å; F57-L428 HydrophobicContact CD2-CD1 4.11Å; F57-L428 HydrophobicContact CD2-CG 4.05Å; F57-L428 HydrophobicContact CE2-CG 4.45Å; F57-F431 HydrophobicContact CD2-CG 4.47Å; F57-F431 HydrophobicContact CE1-CD2 4.46Å; F57-F431 HydrophobicContact CE2-CB 3.52Å; F57-F431 HydrophobicContact CE2-CD1 4.04Å; F57-F431 AromaticContact CE2-CD2 3.8Å; F57-F431 HydrophobicContact CE2-CD2 3.8Å; F57-F431 AromaticContact CE2-CG 3.49Å; F57-F431 HydrophobicContact CE2-CG 3.49Å; F57-F431 VanDerWaalsContact CE2-CG 3.49Å; F57-F431 HydrophobicContact CZ-CB 4.05Å; F57-F431 HydrophobicContact CZ-CD1 4.41Å; F57-F431 AromaticContact CZ-CD2 3.47Å; F57-F431 HydrophobicContact CZ-CD2 3.47Å; F57-F431 VanDerWaalsContact CZ-CD2 3.47Å; F57-F431 AromaticContact CZ-CE2 4Å; F57-F431 HydrophobicContact CZ-CE2 4Å; F57-F431 AromaticContact CZ-CG 3.7Å; F57-F431 HydrophobicContact CZ-CG 3.7Å
58	I	97	Very high	95.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-43	178.3	-59.6	-46.5	0	0	0	111	V54 Y55 C61 D62 I178 L181 Y316 L320 L323	V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 WeakPolarHBondContact O-CG1 3.44Å; V54-I58 PolarHBondContact O-N 2.61Å; V54-I58 VanDerWaalsContact O-N 3.08Å; Y55-I58 PolarHBondContact O-N 3.34Å; I58-C61 PolarHBondContact O-N 3.04Å; I58-D62 WeakPolarHBondContact O-CB 3.49Å; I58-D62 PolarHBondContact O-N 3.35Å; I58-I178 HydrophobicContact CG2-CD1 4.47Å; I58-I178 HydrophobicContact CG2-CG1 3.75Å; I58-L181 HydrophobicContact CB-CD2 4.4Å; I58-L181 HydrophobicContact CG1-CD2 4.24Å; I58-Y316 HydrophobicContact CD1-CD1 4.03Å; I58-Y316 HydrophobicContact CG1-CD1 4.01Å; I58-L320 HydrophobicContact CD1-CD2 4.37Å; I58-L323 HydrophobicContact CD1-CD2 3.75Å
59	M	95.4	Very high	96.1	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.02	19%	0.188	C	C	.	.	H	α-helix	trans	-68.5	-35.7	176.7	-66.5	-53.4	90.2	0	0	112.7	Y55 Y56 C61 D62 Q63 T89 I178	Y55-M59 HydrophobicContact CD1-CG 4.11Å; Y55-M59 HydrophobicContact CD2-CG 4.17Å; Y55-M59 HydrophobicContact CE1-CG 3.64Å; Y55-M59 HydrophobicContact CE2-CG 3.72Å; Y55-M59 HydrophobicContact CE2-SD 4.11Å; Y55-M59 HydrophobicContact CG-CG 4.35Å; Y55-M59 VanDerWaalsContact CZ-CG 3.43Å; Y55-M59 WeakPolarHBondContact O-CG 3.3Å; Y55-M59 PolarHBondContact O-N 2.9Å; Y56-M59 PolarHBondContact O-N 3.15Å; M59-C61 VanDerWaalsContact C-N 3.26Å; M59-C61 PolarHBondContact O-N 3.32Å; M59-D62 PolarHBondContact O-N 3.34Å; M59-Q63 WeakPolarHBondContact O-CB 3.2Å; M59-Q63 PolarHBondContact O-N 2.85Å; M59-T89 HydrophobicContact SD-CG2 3.99Å; M59-T89 PolarHBondContact SD-OG1 2.82Å; M59-I178 HydrophobicContact CE-CB 4.44Å; M59-I178 HydrophobicContact CE-CD1 3.42Å; M59-I178 VanDerWaalsContact CE-CD1 3.42Å; M59-I178 HydrophobicContact CE-CG1 3.63Å; M59-I178 HydrophobicContact CE-CG2 3.96Å
60	A	96.6	Very high	96.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-38.5	172.7	0	0	0	0	0	110.8	Y56 F57 Y64 S65 C66 L68 P71	Y56-A60 VanDerWaalsContact O-CB 3.24Å; Y56-A60 WeakPolarHBondContact O-CB 3.35Å; Y56-A60 PolarHBondContact O-N 3.31Å; F57-A60 PolarHBondContact O-N 2.85Å; A60-Y64 CarbonylContact O-C 3.57Å; A60-Y64 VanDerWaalsContact O-CA 3.27Å; A60-Y64 WeakPolarHBondContact O-CA 3.43Å; A60-Y64 VanDerWaalsContact O-CB 3.25Å; A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.4Å; A60-Y64 VanDerWaalsContact O-N 3.12Å; A60-S65 PolarHBondContact O-N 2.86Å; A60-C66 VanDerWaalsContact O-CA 3.29Å; A60-C66 WeakPolarHBondContact O-CA 3.37Å; A60-C66 PolarHBondContact O-N 3.03Å; A60-L68 HydrophobicContact CB-CD2 4.17Å; A60-P71 HydrophobicContact CB-CG 4.21Å
61	C	95.5	Very high	95.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-52.9	172.5	-88	0	0	0	0	113.6	F57 I58 M59 S65 C66 L323 Y327 L428	F57-C61 PolarHBondContact O-N 3.06Å; F57-C61 VanDerWaalsContact O-N 3.07Å; I58-C61 PolarHBondContact O-N 3.04Å; M59-C61 VanDerWaalsContact C-N 3.26Å; M59-C61 PolarHBondContact O-N 3.32Å; C61-S65 PolarHBondContact O-N 3.45Å; C61-C66 WeakPolarHBondContact CA-SG 3.45Å; C61-C66 HydrophobicContact CB-CB 4.18Å; C61-C66 WeakPolarHBondContact CB-SG 3.48Å; C61-C66 WeakPolarHBondContact SG-CB 3.4Å; C61-C66 CovalentContact SG-SG 2.06Å; C61-C66 PolarHBondContact SG-SG 3.09Å; C61-L323 HydrophobicContact CB-CD2 3.88Å; C61-L323 HydrophobicContact CB-CG 4.22Å; C61-Y327 HydrophobicContact CB-CE2 4.27Å; C61-L428 WeakPolarHBondContact SG-CD1 3.48Å
62	D	94.8	Very high	95.8	Very high	65 Å²	65	34.9 Å²	34.9	35%	0.348	19%	0.19	S	C	.	.	H	α-helix	trans	-64.9	-46.2	-174.5	-175.4	75	0	0	0	113.2	I58 M59 I178	I58-D62 WeakPolarHBondContact O-CB 3.49Å; I58-D62 PolarHBondContact O-N 3.35Å; M59-D62 PolarHBondContact O-N 3.34Å; D62-I178 HydrophobicContact CB-CD1 3.88Å; D62-I178 VanDerWaalsContact CG-CD1 3.44Å; D62-I178 WeakPolarHBondContact OD1-CD1 3.17Å
63	Q	95.2	Very high	95.8	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	19%	0.189	C	C	.	.	H	α-helix	trans	-101.2	-19.1	-171.4	-57	-175.8	23.4	0	0	113.7	M59 I85	M59-Q63 WeakPolarHBondContact O-CB 3.2Å; M59-Q63 PolarHBondContact O-N 2.85Å; Q63-I85 PolarHBondContact NE2-O 3.06Å; Q63-I85 VanDerWaalsContact NE2-O 3.12Å
64	Y	96.1	Very high	95.7	Very high	36 Å²	36	33 Å²	33	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-129.5	22.5	-170.9	-67.8	-88.6	0	0	0	113.5	A60 C66 A67 P71 D74 I85	A60-Y64 CarbonylContact O-C 3.57Å; A60-Y64 VanDerWaalsContact O-CA 3.27Å; A60-Y64 WeakPolarHBondContact O-CA 3.43Å; A60-Y64 VanDerWaalsContact O-CB 3.25Å; A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.4Å; A60-Y64 VanDerWaalsContact O-N 3.12Å; Y64-C66 PolarHBondContact O-N 3.47Å; Y64-C66 VanDerWaalsContact O-N 3.13Å; Y64-A67 WeakPolarHBondContact O-CB 3.11Å; Y64-A67 PolarHBondContact O-N 3.07Å; Y64-P71 HydrophobicContact CD2-CB 4.39Å; Y64-P71 HydrophobicContact CD2-CG 3.56Å; Y64-P71 HydrophobicContact CE2-CB 4.16Å; Y64-P71 HydrophobicContact CE2-CG 3.82Å; Y64-P71 HydrophobicContact CG-CG 4Å; Y64-D74 HydrophobicContact CE1-CB 4.29Å; Y64-D74 WeakPolarHBondContact CE1-OD2 3.4Å; Y64-D74 PolarHBondContact OH-OD2 3.39Å; Y64-I85 HydrophobicContact CE2-CD1 4.41Å; Y64-I85 HydrophobicContact CE2-CG1 4.5Å
65	S	95.3	Very high	95.5	Very high	71 Å²	71	36 Å²	36	50%	0.497	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	39.9	179.9	-57.6	0	0	0	0	112.5	A60 C61 A67 H328	A60-S65 PolarHBondContact O-N 2.86Å; C61-S65 PolarHBondContact O-N 3.45Å; S65-A67 PolarHBondContact O-N 2.93Å; S65-H328 PolarHBondContact O-NE2 3.07Å
66	C	96.7	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	15.1	179.8	-58.7	0	0	0	0	115.5	A60 C61 Y64 L68 Y324 L428	A60-C66 VanDerWaalsContact O-CA 3.29Å; A60-C66 WeakPolarHBondContact O-CA 3.37Å; A60-C66 PolarHBondContact O-N 3.03Å; C61-C66 WeakPolarHBondContact CA-SG 3.45Å; C61-C66 HydrophobicContact CB-CB 4.18Å; C61-C66 WeakPolarHBondContact CB-SG 3.48Å; C61-C66 WeakPolarHBondContact SG-CB 3.4Å; C61-C66 CovalentContact SG-SG 2.06Å; C61-C66 PolarHBondContact SG-SG 3.09Å; Y64-C66 PolarHBondContact O-N 3.47Å; Y64-C66 VanDerWaalsContact O-N 3.13Å; C66-L68 PolarHBondContact O-N 3.26Å; C66-Y324 HydrophobicContact CB-CD2 3.69Å; C66-Y324 HydrophobicContact CB-CE2 4.27Å; C66-L428 HydrophobicContact CB-CD1 4.01Å; C66-L428 HydrophobicContact CB-CD2 4.31Å
67	A	96.7	Very high	95.2	Very high	24 Å²	24	41.4 Å²	41.4	20%	0.198	24%	0.244	C	C	.	.			trans	-75.3	103.2	170.4	0	0	0	0	0	111.1	Y64 S65 T69 G70 P71	Y64-A67 WeakPolarHBondContact O-CB 3.11Å; Y64-A67 PolarHBondContact O-N 3.07Å; S65-A67 PolarHBondContact O-N 2.93Å; A67-T69 PolarHBondContact O-N 2.79Å; A67-T69 VanDerWaalsContact O-N 3.12Å; A67-G70 PolarHBondContact O-N 2.86Å; A67-P71 WeakPolarHBondContact O-CD 3.28Å
68	L	95.7	Very high	95	Very high	32 Å²	32	43.5 Å²	43.5	17%	0.168	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.6	177.1	-71.3	179.6	0	0	0	113.8	Y56 F57 A60 C66 L427 L428	Y56-L68 HydrophobicContact CD1-CD2 4.16Å; Y56-L68 HydrophobicContact CE1-CD2 3.84Å; Y56-L68 PolarHBondContact OH-O 3.46Å; F57-L68 HydrophobicContact CD1-CD2 4.09Å; F57-L68 HydrophobicContact CD2-CD2 3.97Å; F57-L68 HydrophobicContact CE1-CD2 4.06Å; F57-L68 HydrophobicContact CE2-CD1 3.98Å; F57-L68 HydrophobicContact CE2-CD2 3.91Å; F57-L68 HydrophobicContact CG-CD2 4.08Å; F57-L68 HydrophobicContact CZ-CD1 3.93Å; F57-L68 HydrophobicContact CZ-CD2 3.97Å; A60-L68 HydrophobicContact CB-CD2 4.17Å; C66-L68 PolarHBondContact O-N 3.26Å; L68-L427 HydrophobicContact CD1-CB 4.29Å; L68-L427 HydrophobicContact CD1-CD2 4.47Å; L68-L427 HydrophobicContact CD1-CG 4.36Å; L68-L428 HydrophobicContact CD1-CB 4.19Å; L68-L428 HydrophobicContact CD2-CB 4.33Å; L68-L428 HydrophobicContact CD2-CD1 3.9Å; L68-L428 HydrophobicContact CD2-CG 4.43Å; L68-L428 HydrophobicContact CG-CB 3.95Å; L68-L428 HydrophobicContact CG-CD1 4.37Å
69	T	95.5	Very high	94.7	Very high	102 Å²	102	50.1 Å²	50.1	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-18.8	175.2	50.1	0	0	0	0	112.5	A67 V72 V73	A67-T69 PolarHBondContact O-N 2.79Å; A67-T69 VanDerWaalsContact O-N 3.12Å; T69-V72 PolarHBondContact O-N 2.86Å; T69-V73 VanDerWaalsContact O-CG2 3.32Å; T69-V73 WeakPolarHBondContact O-CG2 3.42Å; T69-V73 PolarHBondContact O-N 3.38Å
70	G	94.4	Very high	94.4	Very high	13 Å²	13	50.4 Å²	50.4	13%	0.134	30%	0.304	C	S	.	.	H	α-helix	trans	-54.9	-58.6	-174.3	0	0	0	0	0	113.6	A67 V72 V73 D74	A67-G70 PolarHBondContact O-N 2.86Å; G70-V72 VanDerWaalsContact C-N 3.27Å; G70-V72 PolarHBondContact O-N 3.28Å; G70-V73 PolarHBondContact O-N 3.47Å; G70-D74 PolarHBondContact O-N 3.17Å
71	P	93.7	Very high	94.2	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.039	34%	0.337	C	S	.	.	H	α-helix	trans	-55.9	-40.4	178.9	-24.2	30.9	0	0	0	113.4	Y56 A60 Y64 A67 I75 I85	Y56-P71 HydrophobicContact CE2-CB 3.84Å; Y56-P71 HydrophobicContact CE2-CG 4.04Å; A60-P71 HydrophobicContact CB-CG 4.21Å; Y64-P71 HydrophobicContact CD2-CB 4.39Å; Y64-P71 HydrophobicContact CD2-CG 3.56Å; Y64-P71 HydrophobicContact CE2-CB 4.16Å; Y64-P71 HydrophobicContact CE2-CG 3.82Å; Y64-P71 HydrophobicContact CG-CG 4Å; A67-P71 WeakPolarHBondContact O-CD 3.28Å; P71-I75 WeakPolarHBondContact O-CD1 3.27Å; P71-I75 WeakPolarHBondContact O-CG1 3.34Å; P71-I75 PolarHBondContact O-N 3.06Å; P71-I75 VanDerWaalsContact O-N 3.16Å; P71-I85 HydrophobicContact CB-CD1 4.13Å
72	V	94.2	Very high	93.9	Very high	78 Å²	78	64.9 Å²	64.9	47%	0.473	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-45.5	-178.9	172.4	0	0	0	0	111	Y56 T69 G70 I75 V76	Y56-V72 WeakPolarHBondContact OH-CG2 3.38Å; T69-V72 PolarHBondContact O-N 2.86Å; G70-V72 VanDerWaalsContact C-N 3.27Å; G70-V72 PolarHBondContact O-N 3.28Å; V72-I75 PolarHBondContact O-N 3.21Å; V72-V76 HydrophobicContact CG1-CG2 4.24Å; V72-V76 WeakPolarHBondContact O-CB 3.44Å; V72-V76 VanDerWaalsContact O-CG2 3.24Å; V72-V76 WeakPolarHBondContact O-CG2 3.14Å; V72-V76 PolarHBondContact O-N 2.97Å
73	V	94.6	Very high	93.7	Very high	76 Å²	76	65 Å²	65	46%	0.461	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-49.8	178.7	170.4	0	0	0	0	109.9	T69 G70 I75 V76 T77	T69-V73 VanDerWaalsContact O-CG2 3.32Å; T69-V73 WeakPolarHBondContact O-CG2 3.42Å; T69-V73 PolarHBondContact O-N 3.38Å; G70-V73 PolarHBondContact O-N 3.47Å; V73-I75 VanDerWaalsContact C-N 3.29Å; V73-I75 PolarHBondContact O-N 3.21Å; V73-V76 PolarHBondContact O-N 2.8Å; V73-V76 VanDerWaalsContact O-N 3.16Å; V73-T77 HydrophobicContact CG1-CG2 4.09Å; V73-T77 WeakPolarHBondContact O-CB 3.44Å; V73-T77 WeakPolarHBondContact O-CG2 3.47Å; V73-T77 PolarHBondContact O-N 3.05Å; V73-T77 PolarHBondContact O-OG1 3.2Å
74	D	93.3	Very high	93.5	Very high	43 Å²	43	66.1 Å²	66.1	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-59.5	-37.9	-179.8	-90.7	13.3	0	0	0	113.4	Y64 G70 T77 G78 H79 A80	Y64-D74 HydrophobicContact CE1-CB 4.29Å; Y64-D74 WeakPolarHBondContact CE1-OD2 3.4Å; Y64-D74 PolarHBondContact OH-OD2 3.39Å; G70-D74 PolarHBondContact O-N 3.17Å; D74-T77 PolarHBondContact O-OG1 3.05Å; D74-G78 CarbonylContact O-C 3.57Å; D74-G78 PolarHBondContact O-N 3.14Å; D74-H79 HydrophobicContact CB-CB 4.33Å; D74-H79 PolarHBondContact O-N 3.31Å; D74-H79 IonicContact OD1-ND1 3.9Å; D74-A80 HydrophobicContact CB-CB 3.99Å; D74-A80 PolarHBondContact O-N 2.75Å
75	I	93.5	Very high	93.2	Very high	63 Å²	63	65.1 Å²	65.1	32%	0.323	38%	0.377	S	S	.	.	H	α-helix	trans	-69	-45.7	176.3	-68.4	165	0	0	0	110.9	P71 V72 V73 G78 A80 L82 I85	P71-I75 WeakPolarHBondContact O-CD1 3.27Å; P71-I75 WeakPolarHBondContact O-CG1 3.34Å; P71-I75 PolarHBondContact O-N 3.06Å; P71-I75 VanDerWaalsContact O-N 3.16Å; V72-I75 PolarHBondContact O-N 3.21Å; V73-I75 VanDerWaalsContact C-N 3.29Å; V73-I75 PolarHBondContact O-N 3.21Å; I75-G78 PolarHBondContact O-N 2.61Å; I75-A80 WeakPolarHBondContact CA-O 3.34Å; I75-L82 HydrophobicContact CD1-CD2 3.52Å; I75-L82 HydrophobicContact CD1-CG 4.1Å; I75-I85 HydrophobicContact CD1-CD1 3.95Å; I75-I85 HydrophobicContact CG1-CD1 4.25Å
76	V	94.1	Very high	93.1	Very high	119 Å²	119	69.1 Å²	69.1	72%	0.721	38%	0.382	S	S	*	.	H	α-helix	trans	-69.7	-36.4	-176.8	171.5	0	0	0	0	111.7	V72 V73 G78	V72-V76 HydrophobicContact CG1-CG2 4.24Å; V72-V76 WeakPolarHBondContact O-CB 3.44Å; V72-V76 VanDerWaalsContact O-CG2 3.24Å; V72-V76 WeakPolarHBondContact O-CG2 3.14Å; V72-V76 PolarHBondContact O-N 2.97Å; V73-V76 PolarHBondContact O-N 2.8Å; V73-V76 VanDerWaalsContact O-N 3.16Å; V76-G78 VanDerWaalsContact C-N 3.26Å; V76-G78 PolarHBondContact O-N 2.94Å
77	T	94.6	Very high	93	Very high	74 Å²	74	73.1 Å²	73.1	45%	0.454	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.7	176.2	61.2	0	0	0	0	113.1	V73 D74 H79	V73-T77 HydrophobicContact CG1-CG2 4.09Å; V73-T77 WeakPolarHBondContact O-CB 3.44Å; V73-T77 WeakPolarHBondContact O-CG2 3.47Å; V73-T77 PolarHBondContact O-N 3.05Å; V73-T77 PolarHBondContact O-OG1 3.2Å; D74-T77 PolarHBondContact O-OG1 3.05Å; T77-H79 VanDerWaalsContact C-N 3.31Å; T77-H79 PolarHBondContact O-N 3.28Å; T77-H79 PolarHBondContact OG1-CE1 3.09Å; T77-H79 PolarHBondContact OG1-ND1 2.75Å
78	G	91.4	Very high	92.8	Very high	61 Å²	61	78.7 Å²	78.7	63%	0.629	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	14.2	-179.5	0	0	0	0	0	114.6	D74 I75 V76 A80	D74-G78 CarbonylContact O-C 3.57Å; D74-G78 PolarHBondContact O-N 3.14Å; I75-G78 PolarHBondContact O-N 2.61Å; V76-G78 VanDerWaalsContact C-N 3.26Å; V76-G78 PolarHBondContact O-N 2.94Å; G78-A80 VanDerWaalsContact C-N 3.34Å
79	H	91.2	Very high	92.7	Very high	142 Å²	142	77.9 Å²	77.9	66%	0.657	43%	0.431	S	S	*	.	S	Bend	trans	-72.8	-27.3	174.6	-63.7	149.8	0	0	0	112.8	D74 T77	D74-H79 HydrophobicContact CB-CB 4.33Å; D74-H79 PolarHBondContact O-N 3.31Å; D74-H79 IonicContact OD1-ND1 3.9Å; T77-H79 VanDerWaalsContact C-N 3.31Å; T77-H79 PolarHBondContact O-N 3.28Å; T77-H79 PolarHBondContact OG1-CE1 3.09Å; T77-H79 PolarHBondContact OG1-ND1 2.75Å
80	A	90.4	Very high	92.7	Very high	10 Å²	10	75 Å²	75	8%	0.083	41%	0.414	C	S	.	.			trans	-140.4	152.7	173.5	0	0	0	0	0	110.9	D74 I75 G78	D74-A80 HydrophobicContact CB-CB 3.99Å; D74-A80 PolarHBondContact O-N 2.75Å; I75-A80 WeakPolarHBondContact CA-O 3.34Å; G78-A80 VanDerWaalsContact C-N 3.34Å
81	R	91.4	Very high	92.8	Very high	183 Å²	183	79 Å²	79	69%	0.691	44%	0.437	S	S	*	.			trans	-100.9	161.1	165.6	-61.9	178	178.5	-177.1	0.1	109.7	S83 D84 I85	R81-S83 WeakPolarHBondContact CB-OG 3.41Å; R81-S83 PolarHBondContact O-N 3.33Å; R81-D84 WeakPolarHBondContact CB-OD2 3.47Å; R81-D84 PolarHBondContact N-OD2 2.81Å; R81-D84 WeakPolarHBondContact O-CB 3.27Å; R81-D84 PolarHBondContact O-N 2.9Å; R81-I85 PolarHBondContact O-N 3.2Å
82	L	89.3	Confident	93	Very high	122 Å²	122	82.8 Å²	82.8	64%	0.639	46%	0.456	S	S	*	.	H	α-helix	trans	-54.3	-35	171.3	-72.9	171.2	0	0	0	112.2	I75 D84 W86	I75-L82 HydrophobicContact CD1-CD2 3.52Å; I75-L82 HydrophobicContact CD1-CG 4.1Å; L82-D84 PolarHBondContact O-N 3.15Å; L82-W86 WeakPolarHBondContact O-CB 3.36Å; L82-W86 PolarHBondContact O-N 2.91Å
83	S	91.3	Very high	93.1	Very high	68 Å²	68	81.5 Å²	81.5	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-61	-32.9	174.9	53.6	0	0	0	0	113.1	R81 A87	R81-S83 WeakPolarHBondContact CB-OG 3.41Å; R81-S83 PolarHBondContact O-N 3.33Å; S83-A87 WeakPolarHBondContact O-CB 3.49Å; S83-A87 PolarHBondContact O-N 3.46Å
84	D	91.2	Very high	93.3	Very high	66 Å²	66	87.8 Å²	87.8	35%	0.353	46%	0.464	S	S	.	.	H	α-helix	trans	-78.4	-39.6	-174	-51.7	-26.1	0	0	0	110.3	R81 L82 W86 A87 K88	R81-D84 WeakPolarHBondContact CB-OD2 3.47Å; R81-D84 PolarHBondContact N-OD2 2.81Å; R81-D84 WeakPolarHBondContact O-CB 3.27Å; R81-D84 PolarHBondContact O-N 2.9Å; L82-D84 PolarHBondContact O-N 3.15Å; D84-W86 VanDerWaalsContact C-N 3.34Å; D84-A87 PolarHBondContact O-N 2.86Å; D84-K88 WeakPolarHBondContact O-CG 3.16Å; D84-K88 PolarHBondContact O-N 2.97Å
85	I	89.9	Confident	93.5	Very high	15 Å²	15	91.2 Å²	91.2	8%	0.077	48%	0.477	C	S	.	.	H	α-helix	trans	-63.1	-44.2	171.8	-60.2	176.2	0	0	0	110	Q63 Y64 P71 I75 R81 K88 T89	Q63-I85 PolarHBondContact NE2-O 3.06Å; Q63-I85 VanDerWaalsContact NE2-O 3.12Å; Y64-I85 HydrophobicContact CE2-CD1 4.41Å; Y64-I85 HydrophobicContact CE2-CG1 4.5Å; P71-I85 HydrophobicContact CB-CD1 4.13Å; I75-I85 HydrophobicContact CD1-CD1 3.95Å; I75-I85 HydrophobicContact CG1-CD1 4.25Å; R81-I85 PolarHBondContact O-N 3.2Å; I85-K88 PolarHBondContact O-N 3.44Å; I85-T89 PolarHBondContact O-N 3.23Å; I85-T89 PolarHBondContact O-OG1 2.91Å
86	W	92.4	Very high	93.7	Very high	155 Å²	155	88.2 Å²	88.2	59%	0.587	46%	0.462	S	S	*	.	H	α-helix	trans	-63.9	-42.5	176.5	-176	-96.6	0	0	0	112.2	Y55 L82 D84 K88 T89 W182	Y55-W86 HydrophobicContact CE2-CE3 4.25Å; Y55-W86 AromaticContact CE2-CZ3 3.95Å; Y55-W86 HydrophobicContact CE2-CZ3 3.95Å; Y55-W86 AromaticContact CZ-CE3 3.87Å; Y55-W86 AromaticContact CZ-CZ3 4Å; L82-W86 WeakPolarHBondContact O-CB 3.36Å; L82-W86 PolarHBondContact O-N 2.91Å; D84-W86 VanDerWaalsContact C-N 3.34Å; W86-K88 PolarHBondContact O-N 3.23Å; W86-T89 WeakPolarHBondContact O-CB 3.38Å; W86-T89 PolarHBondContact O-N 3.32Å; W86-T89 PolarHBondContact O-OG1 3.49Å; W86-W182 AromaticContact CH2-CH2 3.76Å; W86-W182 HydrophobicContact CH2-CH2 3.76Å; W86-W182 HydrophobicContact CH2-CZ2 4.13Å; W86-W182 AromaticContact CZ3-CH2 3.91Å; W86-W182 HydrophobicContact CZ3-CH2 3.91Å; W86-W182 HydrophobicContact CZ3-CZ2 4.31Å
87	A	93.4	Very high	93.8	Very high	84 Å²	84	84.1 Å²	84.1	69%	0.694	44%	0.44	S	S	*	.	H	α-helix	trans	-62.6	-28.8	179.8	0	0	0	0	0	113.1	S83 D84 T89	S83-A87 WeakPolarHBondContact O-CB 3.49Å; S83-A87 PolarHBondContact O-N 3.46Å; D84-A87 PolarHBondContact O-N 2.86Å; A87-T89 VanDerWaalsContact C-N 3.32Å
88	K	92.8	Very high	94	Very high	141 Å²	141	86.4 Å²	86.4	61%	0.613	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.4	175	-69.9	174.4	-176.5	175.8	0	113.7	D84 I85 W86 P90	D84-K88 WeakPolarHBondContact O-CG 3.16Å; D84-K88 PolarHBondContact O-N 2.97Å; I85-K88 PolarHBondContact O-N 3.44Å; W86-K88 PolarHBondContact O-N 3.23Å; K88-P90 VanDerWaalsContact O-CD 3.26Å; K88-P90 WeakPolarHBondContact O-CD 3.36Å
89	T	94.9	Very high	94.3	Very high	15 Å²	15	86 Å²	86	9%	0.092	43%	0.429	C	S	.	.	S	Bend	trans	-72.8	121.4	-176.2	-61.3	0	0	0	0	110.6	Y55 M59 I85 W86 A87 I178 W182	Y55-T89 HydrophobicContact CE2-CG2 3.89Å; Y55-T89 PolarHBondContact OH-OG1 3.32Å; M59-T89 HydrophobicContact SD-CG2 3.99Å; M59-T89 PolarHBondContact SD-OG1 2.82Å; I85-T89 PolarHBondContact O-N 3.23Å; I85-T89 PolarHBondContact O-OG1 2.91Å; W86-T89 WeakPolarHBondContact O-CB 3.38Å; W86-T89 PolarHBondContact O-N 3.32Å; W86-T89 PolarHBondContact O-OG1 3.49Å; A87-T89 VanDerWaalsContact C-N 3.32Å; T89-I178 HydrophobicContact CG2-CG2 4.17Å; T89-W182 HydrophobicContact CG2-CZ2 3.83Å
90	P	95.8	Very high	94.6	Very high	42 Å²	42	80.5 Å²	80.5	27%	0.273	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-55.8	125.5	175.7	-28.7	36.4	0	0	0	112	K88 I178 P179 W182	K88-P90 VanDerWaalsContact O-CD 3.26Å; K88-P90 WeakPolarHBondContact O-CD 3.36Å; P90-I178 HydrophobicContact CB-CB 4.2Å; P90-I178 HydrophobicContact CB-CG2 4.1Å; P90-I178 HydrophobicContact CG-CB 4.18Å; P90-I178 HydrophobicContact CG-CD1 3.85Å; P90-I178 HydrophobicContact CG-CG2 4.25Å; P90-P179 HydrophobicContact CB-CG 4.17Å; P90-W182 PolarHBondContact O-NE1 3.22Å; P90-W182 VanDerWaalsContact O-NE1 3.09Å
91	P	96.5	Very high	94.9	Very high	95 Å²	95	84 Å²	84	62%	0.617	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-73.4	169	177.2	31.9	-35.7	0	0	0	110.8	T93	P91-T93 PolarHBondContact O-N 3.38Å
92	I	96.3	Very high	95.2	Very high	86 Å²	86	81.1 Å²	81.1	44%	0.441	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-58	131.1	168.9	-168.8	168.5	0	0	0	110.1	W182 I186	I92-W182 HydrophobicContact CB-CB 4.34Å; I92-I186 HydrophobicContact CD1-CD1 4Å
93	T	97.8	Very high	95.6	Very high	52 Å²	52	77.3 Å²	77.3	32%	0.319	40%	0.398	S	S	.	.			trans	-109.7	152.4	178	70.9	0	0	0	0	110.4	P91 K95 A96 A97 P179	P91-T93 PolarHBondContact O-N 3.38Å; T93-K95 PolarHBondContact O-N 3.38Å; T93-A96 PolarHBondContact O-N 2.98Å; T93-A96 WeakPolarHBondContact OG1-CB 3.48Å; T93-A96 PolarHBondContact OG1-N 3.34Å; T93-A96 VanDerWaalsContact OG1-N 3.1Å; T93-A97 PolarHBondContact O-N 2.69Å; T93-P179 HydrophobicContact CG2-CB 4.25Å; T93-P179 HydrophobicContact CG2-CG 4.01Å
94	R	97.6	Very high	95.9	Very high	208 Å²	208	75.1 Å²	75.1	79%	0.785	38%	0.382	S	S	*	.	H	α-helix	trans	-56.1	-41.2	174	-177.1	-176.4	-67.7	-127.7	0.6	111.4	A97 Q98	R94-A97 PolarHBondContact O-N 3.16Å; R94-Q98 HydrophobicContact CG-CG 4.49Å; R94-Q98 WeakPolarHBondContact O-CB 3.42Å; R94-Q98 VanDerWaalsContact O-CG 3.29Å; R94-Q98 WeakPolarHBondContact O-CG 3.25Å; R94-Q98 PolarHBondContact O-N 2.91Å
95	K	96.9	Very high	96.2	Very high	114 Å²	114	75.3 Å²	75.3	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-60.3	-49.8	178.2	-176.4	178.5	178.9	179	0	111.2	T93 A97 Q98 L99	T93-K95 PolarHBondContact O-N 3.38Å; K95-A97 PolarHBondContact O-N 2.9Å; K95-Q98 PolarHBondContact O-N 2.77Å; K95-L99 HydrophobicContact CG-CD1 4.01Å; K95-L99 HydrophobicContact CG-CG 4.45Å; K95-L99 WeakPolarHBondContact O-CB 3.48Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 2.81Å
96	A	97.7	Very high	96.6	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-63.4	-41.8	179.1	0	0	0	0	0	112.4	T93 Q98 L99 Y100 N176 P179 L180	T93-A96 PolarHBondContact O-N 2.98Å; T93-A96 WeakPolarHBondContact OG1-CB 3.48Å; T93-A96 PolarHBondContact OG1-N 3.34Å; T93-A96 VanDerWaalsContact OG1-N 3.1Å; A96-Q98 VanDerWaalsContact C-N 3.34Å; A96-Q98 PolarHBondContact O-N 3.02Å; A96-L99 PolarHBondContact O-N 3.41Å; A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 2.84Å; A96-N176 HydrophobicContact CB-CB 4.39Å; A96-P179 HydrophobicContact CB-CB 3.33Å; A96-L180 HydrophobicContact CB-CD2 4.18Å; A96-L180 HydrophobicContact CB-CG 4.36Å
97	A	98	Very high	96.9	Very high	33 Å²	33	70 Å²	70	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-42.9	175.3	0	0	0	0	0	112.2	T93 R94 K95 T101	T93-A97 PolarHBondContact O-N 2.69Å; R94-A97 PolarHBondContact O-N 3.16Å; K95-A97 PolarHBondContact O-N 2.9Å; A97-T101 VanDerWaalsContact O-CB 3.29Å; A97-T101 WeakPolarHBondContact O-CB 3.19Å; A97-T101 PolarHBondContact O-N 2.79Å; A97-T101 PolarHBondContact O-OG1 2.93Å
98	Q	97.9	Very high	97	Very high	122 Å²	122	68.2 Å²	68.2	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-64.7	-45.8	176	-74.4	172.2	-31	0	0	111.8	R94 K95 A96 T101 L102	R94-Q98 HydrophobicContact CG-CG 4.49Å; R94-Q98 WeakPolarHBondContact O-CB 3.42Å; R94-Q98 VanDerWaalsContact O-CG 3.29Å; R94-Q98 WeakPolarHBondContact O-CG 3.25Å; R94-Q98 PolarHBondContact O-N 2.91Å; K95-Q98 PolarHBondContact O-N 2.77Å; A96-Q98 VanDerWaalsContact C-N 3.34Å; A96-Q98 PolarHBondContact O-N 3.02Å; Q98-T101 PolarHBondContact O-N 3.33Å; Q98-L102 VanDerWaalsContact O-CB 3.31Å; Q98-L102 WeakPolarHBondContact O-CB 3.28Å; Q98-L102 PolarHBondContact O-N 3.2Å
99	L	97.4	Very high	97.2	Very high	52 Å²	52	66 Å²	66	27%	0.272	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-47.9	178.6	-72.1	170.9	0	0	0	111.6	K95 A96 L102 W103 I172 L180	K95-L99 HydrophobicContact CG-CD1 4.01Å; K95-L99 HydrophobicContact CG-CG 4.45Å; K95-L99 WeakPolarHBondContact O-CB 3.48Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 2.81Å; A96-L99 PolarHBondContact O-N 3.41Å; L99-L102 PolarHBondContact O-N 2.78Å; L99-W103 WeakPolarHBondContact O-CB 3.3Å; L99-W103 PolarHBondContact O-N 3.42Å; L99-I172 HydrophobicContact CD1-CD1 3.77Å; L99-I172 HydrophobicContact CD1-CG1 3.72Å; L99-I172 HydrophobicContact CD2-CD1 3.6Å; L99-I172 HydrophobicContact CD2-CG1 4.37Å; L99-I172 HydrophobicContact CG-CD1 4.33Å; L99-L180 HydrophobicContact CB-CD2 4.43Å
100	Y	97.6	Very high	97.3	Very high	27 Å²	27	66.1 Å²	66.1	11%	0.106	34%	0.34	C	S	.	.	H	α-helix	trans	-67	-40.5	-179.3	-160.4	-103.3	0	0	0	111.8	A96 W103 V104 L180 C183 A184 L187	A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 2.84Å; Y100-W103 WeakPolarHBondContact O-CB 3.48Å; Y100-W103 PolarHBondContact O-N 3.01Å; Y100-V104 HydrophobicContact CD1-CG2 4.09Å; Y100-V104 HydrophobicContact CE1-CG2 3.87Å; Y100-V104 VanDerWaalsContact O-CG2 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.24Å; Y100-V104 PolarHBondContact O-N 3.45Å; Y100-L180 HydrophobicContact CD2-CD2 4.01Å; Y100-L180 HydrophobicContact CG-CD2 4.4Å; Y100-C183 HydrophobicContact CD1-CB 3.59Å; Y100-C183 HydrophobicContact CD2-CB 4.26Å; Y100-C183 HydrophobicContact CE1-CB 4.23Å; Y100-C183 HydrophobicContact CG-CB 3.59Å; Y100-A184 HydrophobicContact CE2-CB 4.15Å; Y100-A184 WeakPolarHBondContact OH-CA 3.46Å; Y100-L187 HydrophobicContact CE1-CB 3.95Å; Y100-L187 HydrophobicContact CE1-CD2 3.67Å; Y100-L187 HydrophobicContact CE1-CG 4.46Å
101	T	97.9	Very high	97.4	Very high	85 Å²	85	64.4 Å²	64.4	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-48.8	174.1	-56.8	0	0	0	0	110.7	A97 Q98 W103 V104 T105	A97-T101 VanDerWaalsContact O-CB 3.29Å; A97-T101 WeakPolarHBondContact O-CB 3.19Å; A97-T101 PolarHBondContact O-N 2.79Å; A97-T101 PolarHBondContact O-OG1 2.93Å; Q98-T101 PolarHBondContact O-N 3.33Å; T101-W103 VanDerWaalsContact C-N 3.32Å; T101-W103 PolarHBondContact O-N 2.77Å; T101-V104 PolarHBondContact O-N 3.08Å; T101-T105 WeakPolarHBondContact O-CB 3.11Å; T101-T105 PolarHBondContact O-N 3.07Å; T101-T105 PolarHBondContact O-OG1 2.89Å
102	L	97.3	Very high	97.3	Very high	121 Å²	121	63.3 Å²	63.3	63%	0.634	32%	0.32	S	S	*	.	H	α-helix	trans	-59.3	-43.8	177.9	-179.3	63.7	0	0	0	111.6	Q98 L99 F106	Q98-L102 VanDerWaalsContact O-CB 3.31Å; Q98-L102 WeakPolarHBondContact O-CB 3.28Å; Q98-L102 PolarHBondContact O-N 3.2Å; L99-L102 PolarHBondContact O-N 2.78Å; L102-F106 WeakPolarHBondContact O-CB 3.42Å; L102-F106 PolarHBondContact O-N 3.19Å
103	W	97.3	Very high	97.1	Very high	43 Å²	43	63.1 Å²	63.1	16%	0.163	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-53.8	175.8	166	-118.1	0	0	0	112	L99 Y100 T101 F106 Q107 T154 V246 A247 L250	L99-W103 WeakPolarHBondContact O-CB 3.3Å; L99-W103 PolarHBondContact O-N 3.42Å; Y100-W103 WeakPolarHBondContact O-CB 3.48Å; Y100-W103 PolarHBondContact O-N 3.01Å; T101-W103 VanDerWaalsContact C-N 3.32Å; T101-W103 PolarHBondContact O-N 2.77Å; W103-F106 PolarHBondContact O-N 2.72Å; W103-Q107 HydrophobicContact CD2-CG 3.99Å; W103-Q107 HydrophobicContact CE3-CG 3.99Å; W103-Q107 VanDerWaalsContact CH2-CD 3.43Å; W103-Q107 HydrophobicContact CH2-CG 3.57Å; W103-Q107 HydrophobicContact CZ2-CG 3.54Å; W103-Q107 HydrophobicContact CZ3-CG 3.8Å; W103-Q107 WeakPolarHBondContact O-CG 3.34Å; W103-Q107 PolarHBondContact O-N 3.44Å; W103-T154 HydrophobicContact CH2-CG2 4.04Å; W103-T154 HydrophobicContact CZ3-CG2 3.68Å; W103-V246 HydrophobicContact CH2-CB 4.03Å; W103-V246 HydrophobicContact CH2-CG1 3.77Å; W103-V246 HydrophobicContact CZ2-CB 4.36Å; W103-A247 HydrophobicContact CZ2-CB 3.76Å; W103-L250 HydrophobicContact CE3-CD1 4.48Å; W103-L250 HydrophobicContact CH2-CD1 3.88Å; W103-L250 HydrophobicContact CZ3-CD1 3.69Å
104	V	97.8	Very high	96.9	Very high	22 Å²	22	62.1 Å²	62.1	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-44.6	-177.8	174.8	0	0	0	0	110.5	Y100 T101 F106 Q107 V108 L187	Y100-V104 HydrophobicContact CD1-CG2 4.09Å; Y100-V104 HydrophobicContact CE1-CG2 3.87Å; Y100-V104 VanDerWaalsContact O-CG2 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.24Å; Y100-V104 PolarHBondContact O-N 3.45Å; T101-V104 PolarHBondContact O-N 3.08Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 3.18Å; V104-Q107 PolarHBondContact O-N 3.05Å; V104-V108 HydrophobicContact CG1-CG2 4.42Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.2Å; V104-V108 PolarHBondContact O-N 3.34Å; V104-L187 HydrophobicContact CG1-CD2 4.36Å; V104-L187 HydrophobicContact CG2-CD2 3.79Å
105	T	97.9	Very high	96.6	Very high	69 Å²	69	55.1 Å²	55.1	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-59.4	-45	175.7	-58.7	0	0	0	0	111.1	T101 Q107 V108 L109	T101-T105 WeakPolarHBondContact O-CB 3.11Å; T101-T105 PolarHBondContact O-N 3.07Å; T101-T105 PolarHBondContact O-OG1 2.89Å; T105-Q107 PolarHBondContact O-N 3.39Å; T105-V108 PolarHBondContact O-N 3.44Å; T105-L109 HydrophobicContact CG2-CD1 4.25Å; T105-L109 HydrophobicContact CG2-CG 4.48Å; T105-L109 VanDerWaalsContact O-CG 3.32Å; T105-L109 WeakPolarHBondContact O-CG 3.35Å; T105-L109 PolarHBondContact O-N 2.86Å
106	F	97.6	Very high	96.4	Very high	59 Å²	59	49.8 Å²	49.8	26%	0.259	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-46.2	176.8	178.1	-115.5	0	0	0	111.6	L102 W103 V104 V108 L109 L110 T154 L157	L102-F106 WeakPolarHBondContact O-CB 3.42Å; L102-F106 PolarHBondContact O-N 3.19Å; W103-F106 PolarHBondContact O-N 2.72Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 3.18Å; F106-V108 PolarHBondContact O-N 2.89Å; F106-L109 PolarHBondContact O-N 3.33Å; F106-L110 HydrophobicContact CD1-CD1 4.11Å; F106-L110 HydrophobicContact CD2-CG 4.48Å; F106-L110 HydrophobicContact CE1-CD1 3.54Å; F106-L110 HydrophobicContact CE1-CG 4.28Å; F106-L110 HydrophobicContact CE2-CD1 4.21Å; F106-L110 HydrophobicContact CE2-CD2 4.1Å; F106-L110 HydrophobicContact CE2-CG 4.12Å; F106-L110 HydrophobicContact CZ-CD1 3.59Å; F106-L110 HydrophobicContact CZ-CD2 4.11Å; F106-L110 HydrophobicContact CZ-CG 4.01Å; F106-L110 WeakPolarHBondContact O-CG 3Å; F106-L110 PolarHBondContact O-N 3.47Å; F106-T154 HydrophobicContact CE1-CG2 4.48Å; F106-L157 HydrophobicContact CE2-CD1 4.28Å; F106-L157 HydrophobicContact CZ-CD1 3.69Å
107	Q	97.8	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-37.6	176	-71.4	-53.1	-49.9	0	0	113	W103 V104 T105 L110 Y111 T154 F238 R242	W103-Q107 HydrophobicContact CD2-CG 3.99Å; W103-Q107 HydrophobicContact CE3-CG 3.99Å; W103-Q107 VanDerWaalsContact CH2-CD 3.43Å; W103-Q107 HydrophobicContact CH2-CG 3.57Å; W103-Q107 HydrophobicContact CZ2-CG 3.54Å; W103-Q107 HydrophobicContact CZ3-CG 3.8Å; W103-Q107 WeakPolarHBondContact O-CG 3.34Å; W103-Q107 PolarHBondContact O-N 3.44Å; V104-Q107 PolarHBondContact O-N 3.05Å; T105-Q107 PolarHBondContact O-N 3.39Å; Q107-L110 PolarHBondContact O-N 2.93Å; Q107-Y111 VanDerWaalsContact O-CB 3.26Å; Q107-Y111 WeakPolarHBondContact O-CB 2.97Å; Q107-Y111 PolarHBondContact O-N 3.46Å; Q107-T154 PolarHBondContact NE2-OG1 3.5Å; Q107-T154 VanDerWaalsContact NE2-OG1 3.14Å; Q107-F238 HydrophobicContact CB-CE2 4.22Å; Q107-F238 HydrophobicContact CB-CZ 4.3Å; Q107-R242 HydrophobicContact CB-CB 4.12Å; Q107-R242 HydrophobicContact CG-CB 4.45Å
108	V	97.3	Very high	95.9	Very high	46 Å²	46	53.9 Å²	53.9	28%	0.279	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-44.3	173.1	169.2	0	0	0	0	110.6	V104 T105 F106 Y111 T112 F233 F238	V104-V108 HydrophobicContact CG1-CG2 4.42Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.2Å; V104-V108 PolarHBondContact O-N 3.34Å; T105-V108 PolarHBondContact O-N 3.44Å; F106-V108 PolarHBondContact O-N 2.89Å; V108-Y111 PolarHBondContact O-N 2.87Å; V108-T112 HydrophobicContact CG1-CG2 4.32Å; V108-T112 WeakPolarHBondContact O-CB 3.49Å; V108-T112 WeakPolarHBondContact O-CG2 3.43Å; V108-T112 PolarHBondContact O-N 3.47Å; V108-T112 PolarHBondContact O-OG1 3.39Å; V108-F233 HydrophobicContact CG1-CE2 4.26Å; V108-F233 HydrophobicContact CG2-CE2 4.26Å; V108-F238 HydrophobicContact CB-CE2 4.48Å; V108-F238 HydrophobicContact CB-CZ 4.42Å; V108-F238 HydrophobicContact CG2-CE1 4.09Å; V108-F238 HydrophobicContact CG2-CE2 3.88Å; V108-F238 HydrophobicContact CG2-CZ 3.42Å; V108-F238 VanDerWaalsContact CG2-CZ 3.42Å
109	L	97.1	Very high	95.6	Very high	95 Å²	95	51.5 Å²	51.5	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-46.2	178.2	-70.2	173.3	0	0	0	111.3	T105 F106 Y111 T112 S113	T105-L109 HydrophobicContact CG2-CD1 4.25Å; T105-L109 HydrophobicContact CG2-CG 4.48Å; T105-L109 VanDerWaalsContact O-CG 3.32Å; T105-L109 WeakPolarHBondContact O-CG 3.35Å; T105-L109 PolarHBondContact O-N 2.86Å; F106-L109 PolarHBondContact O-N 3.33Å; L109-Y111 PolarHBondContact O-N 3.21Å; L109-T112 PolarHBondContact O-N 3.43Å; L109-T112 PolarHBondContact O-OG1 2.65Å; L109-S113 WeakPolarHBondContact O-CA 3.42Å; L109-S113 WeakPolarHBondContact O-CB 3.43Å; L109-S113 PolarHBondContact O-N 2.91Å; L109-S113 PolarHBondContact O-OG 3.2Å
110	L	96.8	Very high	95.3	Very high	17 Å²	17	55.5 Å²	55.5	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-45.5	174.1	-65.4	-177.7	0	0	0	111.3	F106 Q107 T112 L114 N146 A150 L153	F106-L110 HydrophobicContact CD1-CD1 4.11Å; F106-L110 HydrophobicContact CD2-CG 4.48Å; F106-L110 HydrophobicContact CE1-CD1 3.54Å; F106-L110 HydrophobicContact CE1-CG 4.28Å; F106-L110 HydrophobicContact CE2-CD1 4.21Å; F106-L110 HydrophobicContact CE2-CD2 4.1Å; F106-L110 HydrophobicContact CE2-CG 4.12Å; F106-L110 HydrophobicContact CZ-CD1 3.59Å; F106-L110 HydrophobicContact CZ-CD2 4.11Å; F106-L110 HydrophobicContact CZ-CG 4.01Å; F106-L110 WeakPolarHBondContact O-CG 3Å; F106-L110 PolarHBondContact O-N 3.47Å; Q107-L110 PolarHBondContact O-N 2.93Å; L110-T112 PolarHBondContact O-N 2.89Å; L110-L114 HydrophobicContact CD2-CD2 4.23Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 PolarHBondContact O-N 3.48Å; L110-N146 PolarHBondContact O-ND2 3.28Å; L110-A150 HydrophobicContact CB-CB 4.13Å; L110-A150 HydrophobicContact CD1-CB 4.04Å; L110-L153 HydrophobicContact CD2-CD1 4.25Å
111	Y	96.2	Very high	95.1	Very high	6 Å²	6	61.9 Å²	61.9	2%	0.024	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-42.3	-178.4	-176.8	-94.4	0	0	0	112.8	Q107 V108 L109 N146 F233 L237 F238 R242	Q107-Y111 VanDerWaalsContact O-CB 3.26Å; Q107-Y111 WeakPolarHBondContact O-CB 2.97Å; Q107-Y111 PolarHBondContact O-N 3.46Å; V108-Y111 PolarHBondContact O-N 2.87Å; L109-Y111 PolarHBondContact O-N 3.21Å; Y111-N146 PolarHBondContact O-ND2 2.85Å; Y111-F233 AromaticContact CD1-CD2 3.89Å; Y111-F233 HydrophobicContact CD1-CD2 3.89Å; Y111-F233 HydrophobicContact CD1-CE2 4.12Å; Y111-F233 HydrophobicContact CE1-CD2 4.1Å; Y111-L237 HydrophobicContact CE2-CD2 4.21Å; Y111-L237 HydrophobicContact CE2-CG 4.22Å; Y111-F238 HydrophobicContact CD1-CD2 4.01Å; Y111-F238 HydrophobicContact CD2-CB 4.41Å; Y111-F238 AromaticContact CD2-CD2 3.91Å; Y111-F238 HydrophobicContact CD2-CD2 3.91Å; Y111-F238 HydrophobicContact CE1-CB 4.34Å; Y111-F238 HydrophobicContact CE2-CB 4.22Å; Y111-F238 AromaticContact CG-CD2 3.6Å; Y111-F238 HydrophobicContact CG-CD2 3.6Å; Y111-F238 HydrophobicContact CG-CE2 4.35Å; Y111-R242 HydrophobicContact CD2-CG 3.9Å
112	T	94.4	Very high	94.9	Very high	72 Å²	72	60.6 Å²	60.6	44%	0.442	31%	0.314	S	S	.	.	H	α-helix	trans	-88.1	-35.9	-173.7	53.7	0	0	0	0	114.1	V108 L109 L110 F233	V108-T112 HydrophobicContact CG1-CG2 4.32Å; V108-T112 WeakPolarHBondContact O-CB 3.49Å; V108-T112 WeakPolarHBondContact O-CG2 3.43Å; V108-T112 PolarHBondContact O-N 3.47Å; V108-T112 PolarHBondContact O-OG1 3.39Å; L109-T112 PolarHBondContact O-N 3.43Å; L109-T112 PolarHBondContact O-OG1 2.65Å; L110-T112 PolarHBondContact O-N 2.89Å; T112-F233 HydrophobicContact CG2-CD2 3.73Å; T112-F233 HydrophobicContact CG2-CE2 4.38Å
113	S	93.4	Very high	94.6	Very high	83 Å²	83	60.4 Å²	60.4	58%	0.58	32%	0.32	S	S	*	.	H	α-helix	trans	-108.3	-18.8	-167.2	-52.7	0	0	0	0	113.3	L109 P115	L109-S113 WeakPolarHBondContact O-CA 3.42Å; L109-S113 WeakPolarHBondContact O-CB 3.43Å; L109-S113 PolarHBondContact O-N 2.91Å; L109-S113 PolarHBondContact O-OG 3.2Å; S113-P115 WeakPolarHBondContact O-CD 3.3Å
114	L	93.4	Very high	94	Very high	31 Å²	31	61.7 Å²	61.7	16%	0.162	35%	0.347	C	S	.	.			trans	-85.5	109.6	-178.8	-167.9	69.9	0	0	0	110.4	L110 N146 Q149 L153	L110-L114 HydrophobicContact CD2-CD2 4.23Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 PolarHBondContact O-N 3.48Å; L114-N146 PolarHBondContact O-ND2 3.46Å; L114-Q149 HydrophobicContact CD2-CB 4.16Å; L114-Q149 HydrophobicContact CD2-CG 3.92Å; L114-L153 HydrophobicContact CD1-CD1 3.93Å; L114-L153 HydrophobicContact CD2-CD1 3.7Å; L114-L153 HydrophobicContact CG-CD1 4.48Å
115	P	91.7	Very high	93.8	Very high	61 Å²	61	61.2 Å²	61.2	40%	0.396	34%	0.343	S	S	.	.			trans	-66.3	146	164.5	30.1	-34.5	0	0	0	109.2	S113 F117 Q149	S113-P115 WeakPolarHBondContact O-CD 3.3Å; P115-F117 HydrophobicContact CB-CE2 4.48Å; P115-F117 HydrophobicContact CB-CZ 4.48Å; P115-F117 HydrophobicContact CG-CD2 4.28Å; P115-F117 HydrophobicContact CG-CE1 4.46Å; P115-F117 HydrophobicContact CG-CE2 3.52Å; P115-F117 HydrophobicContact CG-CZ 3.61Å; P115-F117 PolarHBondContact O-N 2.88Å; P115-Q149 PolarHBondContact O-NE2 2.86Å
116	D	92.5	Very high	93.5	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.011	34%	0.337	C	S	.	.			trans	-77.4	117.1	172.7	-179	52.8	0	0	0	108.6	C118 H119 G127 G128 I145 N146	D116-C118 WeakPolarHBondContact OD1-CB 3.21Å; D116-C118 PolarHBondContact OD1-N 3.39Å; D116-H119 PolarHBondContact O-CE1 3.43Å; D116-H119 PolarHBondContact O-ND1 2.93Å; D116-H119 WeakPolarHBondContact OD2-CB 3.32Å; D116-H119 IonicContact OD2-CE1 3.96Å; D116-H119 IonicContact OD2-CG 3.31Å; D116-H119 VanDerWaalsContact OD2-CG 3.31Å; D116-H119 PolarHBondContact OD2-N 2.91Å; D116-H119 IonicContact OD2-ND1 2.75Å; D116-H119 PolarHBondContact OD2-ND1 3.29Å; D116-G127 WeakPolarHBondContact OD2-CA 3.49Å; D116-G128 PolarHBondContact OD2-N 3.17Å; D116-G128 VanDerWaalsContact OD2-N 3.15Å; D116-I145 WeakPolarHBondContact CB-O 3.49Å; D116-I145 VanDerWaalsContact CG-O 3.31Å; D116-N146 HydrophobicContact CB-CB 3.88Å
117	F	93.1	Very high	93.3	Very high	99 Å²	99	57.7 Å²	57.7	43%	0.434	33%	0.326	S	S	.	.			trans	-97.6	-21.3	170.5	-67.4	-72	0	0	0	111.3	P115 H119 K120 F121	P115-F117 HydrophobicContact CB-CE2 4.48Å; P115-F117 HydrophobicContact CB-CZ 4.48Å; P115-F117 HydrophobicContact CG-CD2 4.28Å; P115-F117 HydrophobicContact CG-CE1 4.46Å; P115-F117 HydrophobicContact CG-CE2 3.52Å; P115-F117 HydrophobicContact CG-CZ 3.61Å; P115-F117 PolarHBondContact O-N 2.88Å; F117-H119 VanDerWaalsContact C-N 3.29Å; F117-H119 PolarHBondContact O-N 2.92Å; F117-K120 WeakPolarHBondContact O-CB 3.41Å; F117-K120 PolarHBondContact O-N 3.31Å; F117-F121 WeakPolarHBondContact O-CD2 3.35Å
118	C	91.7	Very high	93.1	Very high	19 Å²	19	57.8 Å²	57.8	13%	0.128	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-37.8	-176.7	-69.2	0	0	0	0	111.9	D116 K120 F121 L122 Y125	D116-C118 WeakPolarHBondContact OD1-CB 3.21Å; D116-C118 PolarHBondContact OD1-N 3.39Å; C118-K120 PolarHBondContact O-N 3.42Å; C118-K120 VanDerWaalsContact O-N 3.11Å; C118-F121 PolarHBondContact O-N 3.08Å; C118-F121 VanDerWaalsContact O-N 3.15Å; C118-L122 HydrophobicContact CB-CD1 3.82Å; C118-L122 HydrophobicContact CB-CG 4.38Å; C118-L122 WeakPolarHBondContact O-CB 3.24Å; C118-L122 WeakPolarHBondContact O-CG 3.41Å; C118-L122 PolarHBondContact O-N 3.15Å; C118-Y125 HydrophobicContact CB-CD1 4Å; C118-Y125 HydrophobicContact CB-CE1 3.79Å
119	H	91.1	Very high	93	Very high	72 Å²	72	60.2 Å²	60.2	33%	0.333	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-19.6	177	74.9	-87.9	0	0	0	114.8	D116 F117 Y125	D116-H119 PolarHBondContact O-CE1 3.43Å; D116-H119 PolarHBondContact O-ND1 2.93Å; D116-H119 WeakPolarHBondContact OD2-CB 3.32Å; D116-H119 IonicContact OD2-CE1 3.96Å; D116-H119 IonicContact OD2-CG 3.31Å; D116-H119 VanDerWaalsContact OD2-CG 3.31Å; D116-H119 PolarHBondContact OD2-N 2.91Å; D116-H119 IonicContact OD2-ND1 2.75Å; D116-H119 PolarHBondContact OD2-ND1 3.29Å; F117-H119 VanDerWaalsContact C-N 3.29Å; F117-H119 PolarHBondContact O-N 2.92Å; H119-Y125 HydrophobicContact CB-CD1 4.1Å; H119-Y125 HydrophobicContact CB-CE1 4.3Å
120	K	92.1	Very high	92.9	Very high	136 Å²	136	58.3 Å²	58.3	59%	0.591	33%	0.326	S	S	*	.	H	α-helix	trans	-79.4	-26.2	179.3	-62.2	-175.3	178.4	179.3	0	112.6	F117 C118	F117-K120 WeakPolarHBondContact O-CB 3.41Å; F117-K120 PolarHBondContact O-N 3.31Å; C118-K120 PolarHBondContact O-N 3.42Å; C118-K120 VanDerWaalsContact O-N 3.11Å
121	F	92.9	Very high	92.8	Very high	161 Å²	161	63.5 Å²	63.5	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-118	-24.5	-170.6	-56.8	-73.9	0	0	0	113.6	F117 C118 P123	F117-F121 WeakPolarHBondContact O-CD2 3.35Å; C118-F121 PolarHBondContact O-N 3.08Å; C118-F121 VanDerWaalsContact O-N 3.15Å; F121-P123 VanDerWaalsContact O-CD 3.29Å; F121-P123 WeakPolarHBondContact O-CD 3.48Å
122	L	93.2	Very high	92.6	Very high	58 Å²	58	63.9 Å²	63.9	30%	0.304	36%	0.356	S	S	.	.	S	Bend	trans	-90.2	110.2	-178.6	-63.8	-177.4	0	0	0	110.7	C118 G124 Y125 L148 W286	C118-L122 HydrophobicContact CB-CD1 3.82Å; C118-L122 HydrophobicContact CB-CG 4.38Å; C118-L122 WeakPolarHBondContact O-CB 3.24Å; C118-L122 WeakPolarHBondContact O-CG 3.41Å; C118-L122 PolarHBondContact O-N 3.15Å; L122-G124 PolarHBondContact O-N 3.37Å; L122-Y125 HydrophobicContact CB-CD1 4.49Å; L122-Y125 HydrophobicContact CB-CG 4.47Å; L122-Y125 HydrophobicContact CD1-CD1 4.38Å; L122-Y125 PolarHBondContact O-N 3.37Å; L122-L148 HydrophobicContact CD1-CD2 3.79Å; L122-W286 HydrophobicContact CB-CH2 4.18Å; L122-W286 HydrophobicContact CD1-CH2 4.34Å; L122-W286 HydrophobicContact CD1-CZ3 3.92Å
123	P	90.7	Very high	92.3	Very high	117 Å²	117	62.7 Å²	62.7	76%	0.76	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	132.4	178.7	-20.3	34	0	0	0	111.1	F121 Y125	F121-P123 VanDerWaalsContact O-CD 3.29Å; F121-P123 WeakPolarHBondContact O-CD 3.48Å; P123-Y125 PolarHBondContact O-N 3.45Å
124	G	85.9	Confident	92.1	Very high	71 Å²	71	63.6 Å²	63.6	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-7.5	177.9	0	0	0	0	0	115.6	L122	L122-G124 PolarHBondContact O-N 3.37Å
125	Y	92.8	Very high	91.8	Very high	11 Å²	11	62.4 Å²	62.4	4%	0.043	35%	0.349	C	S	.	.			trans	-76.7	130.4	170.1	176.5	-121.2	0	0	0	109.9	C118 H119 L122 P123 L148 F285 W286	C118-Y125 HydrophobicContact CB-CD1 4Å; C118-Y125 HydrophobicContact CB-CE1 3.79Å; H119-Y125 HydrophobicContact CB-CD1 4.1Å; H119-Y125 HydrophobicContact CB-CE1 4.3Å; L122-Y125 HydrophobicContact CB-CD1 4.49Å; L122-Y125 HydrophobicContact CB-CG 4.47Å; L122-Y125 HydrophobicContact CD1-CD1 4.38Å; L122-Y125 PolarHBondContact O-N 3.37Å; P123-Y125 PolarHBondContact O-N 3.45Å; Y125-L148 HydrophobicContact CD2-CD2 4.1Å; Y125-L148 HydrophobicContact CE1-CD2 4.44Å; Y125-L148 HydrophobicContact CE2-CB 4.16Å; Y125-L148 HydrophobicContact CE2-CD2 4Å; Y125-L148 HydrophobicContact CG-CD2 4.39Å; Y125-F285 WeakPolarHBondContact CE2-O 3.23Å; Y125-W286 HydrophobicContact CD2-CD2 4.3Å; Y125-W286 HydrophobicContact CD2-CG 4.4Å; Y125-W286 WeakPolarHBondContact CD2-O 3.18Å; Y125-W286 WeakPolarHBondContact CE2-O 3.43Å
126	V	92.1	Very high	91.3	Very high	51 Å²	51	62.4 Å²	62.4	31%	0.309	35%	0.349	S	S	.	.			trans	-108.9	93.9	177.9	-174.3	0	0	0	0	107.9	T289	V126-T289 HydrophobicContact CG1-CG2 3.91Å; V126-T289 PolarHBondContact O-OG1 3.48Å
127	G	92.7	Very high	90.9	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.031	35%	0.354	C	S	.	.			trans	-120.8	-161.8	176	0	0	0	0	0	112.5	D116 Q130	D116-G127 WeakPolarHBondContact OD2-CA 3.49Å; G127-Q130 PolarHBondContact O-NE2 3.06Å
128	G	94.3	Very high	90.5	Very high	3 Å²	3	60.7 Å²	60.7	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.5	-155.8	-179.2	0	0	0	0	0	113.4	D116 Q130 I145	D116-G128 PolarHBondContact OD2-N 3.17Å; D116-G128 VanDerWaalsContact OD2-N 3.15Å; G128-Q130 PolarHBondContact O-N 2.84Å; G128-I145 PolarHBondContact N-O 3.27Å; G128-I145 WeakPolarHBondContact O-CB 3.41Å; G128-I145 PolarHBondContact O-N 3.49Å
129	I	95.2	Very high	90.3	Very high	97 Å²	97	61.7 Å²	61.7	50%	0.497	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.9	-179.3	-60.7	172.2	0	0	0	109.2	K142 Y143 W232	I129-K142 HydrophobicContact CG2-CB 4.31Å; I129-K142 HydrophobicContact CG2-CD 4.33Å; I129-Y143 CarbonylContact C-O 3.58Å; I129-Y143 WeakPolarHBondContact CA-O 3.39Å; I129-W232 HydrophobicContact CD1-CH2 4.02Å; I129-W232 HydrophobicContact CG1-CH2 4.43Å; I129-W232 HydrophobicContact CG1-CZ3 4.45Å; I129-W232 HydrophobicContact CG2-CZ3 4.41Å
130	Q	95.4	Very high	90.3	Very high	54 Å²	54	61.5 Å²	61.5	25%	0.252	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.5	178.7	-59.6	-60.7	-39.2	0	0	111	G127 G128 K142 Y143 I145 T289 L292	G127-Q130 PolarHBondContact O-NE2 3.06Å; G128-Q130 PolarHBondContact O-N 2.84Å; Q130-K142 WeakPolarHBondContact O-CA 3.33Å; Q130-Y143 PolarHBondContact N-O 3.3Å; Q130-Y143 PolarHBondContact O-N 3.31Å; Q130-I145 HydrophobicContact CB-CG1 3.86Å; Q130-I145 HydrophobicContact CG-CB 4.33Å; Q130-I145 HydrophobicContact CG-CG1 3.68Å; Q130-T289 HydrophobicContact CB-CG2 4.18Å; Q130-T289 HydrophobicContact CG-CG2 3.9Å; Q130-L292 HydrophobicContact CB-CD1 4.11Å
131	E	94.5	Very high	90.3	Very high	126 Å²	126	56.4 Å²	56.4	59%	0.589	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	135	176.7	-63.3	-170.3	156.1	0	0	110.5	V140 K142	E131-V140 HydrophobicContact CB-CG1 3.88Å; E131-V140 HydrophobicContact CG-CG1 4.28Å; E131-K142 IonicContact OE1-NZ 2.83Å
132	G	92	Very high	90.4	Very high	14 Å²	14	52.7 Å²	52.7	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-175.3	172.2	0	0	0	0	0	112.5	N141	G132-N141 PolarHBondContact N-O 2.88Å
133	A	88.8	Confident	90.5	Very high	48 Å²	48	50.1 Å²	50.1	40%	0.397	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	154.4	171.8	0	0	0	0	0	111.8	T135 C298	A133-T135 PolarHBondContact O-N 2.84Å; A133-C298 HydrophobicContact CB-CB 4.41Å; A133-C298 VanDerWaalsContact CB-SG 3.5Å
134	V	88.2	Confident	90.7	Very high	102 Å²	102	46.2 Å²	46.2	62%	0.618	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	124.1	171.3	-175.6	0	0	0	0	108.6	A139 V140	V134-A139 CarbonylContact C-O 3.15Å; V134-A139 WeakPolarHBondContact CA-O 3.43Å; V134-V140 HydrophobicContact CG2-CG2 3.88Å
135	T	87.6	Confident	91.2	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.031	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-72.8	161.1	174.8	75.7	0	0	0	0	110.4	A133 A137 G138 A139 D208 F225	A133-T135 PolarHBondContact O-N 2.84Å; T135-A137 PolarHBondContact O-N 3.46Å; T135-A137 PolarHBondContact OG1-N 3.25Å; T135-G138 WeakPolarHBondContact O-CA 3.46Å; T135-G138 PolarHBondContact O-N 3.39Å; T135-A139 HydrophobicContact CG2-CB 4.38Å; T135-A139 PolarHBondContact N-O 2.94Å; T135-A139 WeakPolarHBondContact OG1-CB 3.19Å; T135-A139 PolarHBondContact OG1-N 3.29Å; T135-D208 WeakPolarHBondContact CB-OD2 3.31Å; T135-D208 PolarHBondContact OG1-OD1 3.3Å; T135-D208 PolarHBondContact OG1-OD2 2.9Å; T135-F225 HydrophobicContact CG2-CD1 4.28Å; T135-F225 HydrophobicContact CG2-CE1 4.14Å
136	P	81.1	Confident	91.4	Very high	61 Å²	61	42.3 Å²	42.3	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.1	173.9	-29.8	40.6	0	0	0	114.3	W29 G138 D208	W29-P136 HydrophobicContact CD2-CB 3.51Å; W29-P136 HydrophobicContact CD2-CG 3.38Å; W29-P136 HydrophobicContact CE3-CB 3.95Å; W29-P136 HydrophobicContact CE3-CG 3.3Å; W29-P136 HydrophobicContact CG-CB 3.96Å; W29-P136 HydrophobicContact CG-CG 4Å; W29-P136 HydrophobicContact CH2-CB 3.92Å; W29-P136 HydrophobicContact CH2-CG 3.76Å; W29-P136 HydrophobicContact CZ2-CB 3.52Å; W29-P136 HydrophobicContact CZ2-CG 3.86Å; W29-P136 HydrophobicContact CZ3-CB 4.13Å; W29-P136 HydrophobicContact CZ3-CG 3.49Å; W29-P136 VanDerWaalsContact CZ3-CG 3.49Å; P136-G138 PolarHBondContact O-N 2.92Å; P136-D208 WeakPolarHBondContact CD-OD1 3.29Å
137	A	84.1	Confident	91.6	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.4	169.9	0	0	0	0	0	114.6	T135 S205 R207 D208	T135-A137 PolarHBondContact O-N 3.46Å; T135-A137 PolarHBondContact OG1-N 3.25Å; A137-S205 WeakPolarHBondContact CB-OG 3.41Å; A137-R207 HydrophobicContact CB-CB 3.6Å; A137-R207 PolarHBondContact O-NH2 3.23Å; A137-D208 HydrophobicContact CB-CB 4.5Å; A137-D208 VanDerWaalsContact CB-OD1 3.23Å; A137-D208 WeakPolarHBondContact CB-OD1 3.48Å; A137-D208 VanDerWaalsContact CB-OD2 3.26Å; A137-D208 WeakPolarHBondContact CB-OD2 3.21Å; A137-D208 PolarHBondContact N-OD1 2.93Å
138	G	84.3	Confident	91.7	Very high	54 Å²	54	40 Å²	40	56%	0.557	24%	0.242	S	C	*	.	S	Bend	trans	82.6	10.7	-178	0	0	0	0	0	114.7	T135 P136	T135-G138 WeakPolarHBondContact O-CA 3.46Å; T135-G138 PolarHBondContact O-N 3.39Å; P136-G138 PolarHBondContact O-N 2.92Å
139	A	86.9	Confident	91.8	Very high	39 Å²	39	40.8 Å²	40.8	32%	0.322	25%	0.245	S	C	.	.			trans	-84.8	144.7	-179.1	0	0	0	0	0	111.5	V134 T135	V134-A139 CarbonylContact C-O 3.15Å; V134-A139 WeakPolarHBondContact CA-O 3.43Å; T135-A139 HydrophobicContact CG2-CB 4.38Å; T135-A139 PolarHBondContact N-O 2.94Å; T135-A139 WeakPolarHBondContact OG1-CB 3.19Å; T135-A139 PolarHBondContact OG1-N 3.29Å
140	V	91.9	Very high	91.9	Very high	68 Å²	68	36.2 Å²	36.2	41%	0.412	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.6	170.4	-179.8	0	0	0	0	108.6	E131 V134	E131-V140 HydrophobicContact CB-CG1 3.88Å; E131-V140 HydrophobicContact CG-CG1 4.28Å; V134-V140 HydrophobicContact CG2-CG2 3.88Å
141	N	92.9	Very high	92	Very high	29 Å²	29	35.1 Å²	35.1	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	137.3	-179	-76.5	-27.3	0	0	0	111.1	G132 Y143	G132-N141 PolarHBondContact N-O 2.88Å; N141-Y143 HydrophobicContact CB-CD2 4.39Å; N141-Y143 HydrophobicContact CB-CE2 3.49Å; N141-Y143 VanDerWaalsContact CB-CE2 3.49Å; N141-Y143 WeakPolarHBondContact O-CD2 3.45Å; N141-Y143 WeakPolarHBondContact O-CE2 3.03Å
142	K	94.9	Very high	92.1	Very high	83 Å²	83	32.2 Å²	32.2	36%	0.361	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.3	172	-63.6	-170.9	176.8	-167.9	0	110.4	I129 Q130 E131 R228 W232	I129-K142 HydrophobicContact CG2-CB 4.31Å; I129-K142 HydrophobicContact CG2-CD 4.33Å; Q130-K142 WeakPolarHBondContact O-CA 3.33Å; E131-K142 IonicContact OE1-NZ 2.83Å; K142-R228 PolarHBondContact O-NH1 3.36Å; K142-R228 PolarHBondContact O-NH2 3.18Å; K142-R228 VanDerWaalsContact O-NH2 3.08Å; K142-W232 HydrophobicContact CB-CZ3 4.1Å
143	Y	95.1	Very high	92.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.5	-176.7	-64.4	-94.9	0	0	0	109.6	I129 Q130 N141 R228 D234 L237 L292	I129-Y143 CarbonylContact C-O 3.58Å; I129-Y143 WeakPolarHBondContact CA-O 3.39Å; Q130-Y143 PolarHBondContact N-O 3.3Å; Q130-Y143 PolarHBondContact O-N 3.31Å; N141-Y143 HydrophobicContact CB-CD2 4.39Å; N141-Y143 HydrophobicContact CB-CE2 3.49Å; N141-Y143 VanDerWaalsContact CB-CE2 3.49Å; N141-Y143 WeakPolarHBondContact O-CD2 3.45Å; N141-Y143 WeakPolarHBondContact O-CE2 3.03Å; Y143-R228 VanDerWaalsContact CD1-NH2 3.32Å; Y143-R228 PolarHBondContact OH-NH2 2.95Å; Y143-D234 HydrophobicContact CD1-CB 4.23Å; Y143-D234 HydrophobicContact CE1-CB 3.82Å; Y143-D234 VanDerWaalsContact CE1-CG 3.42Å; Y143-D234 VanDerWaalsContact CE1-OD2 3.29Å; Y143-D234 WeakPolarHBondContact CE1-OD2 3.46Å; Y143-D234 PolarHBondContact OH-OD2 3.41Å; Y143-L237 HydrophobicContact CD1-CB 4.3Å; Y143-L237 HydrophobicContact CD1-CD2 3.61Å; Y143-L237 HydrophobicContact CE1-CB 4.38Å; Y143-L237 HydrophobicContact CE1-CD2 4.45Å; Y143-L237 HydrophobicContact CG-CD2 4.31Å; Y143-L292 HydrophobicContact CD1-CD2 3.8Å; Y143-L292 HydrophobicContact CD2-CD1 3.9Å; Y143-L292 HydrophobicContact CD2-CD2 3.94Å; Y143-L292 HydrophobicContact CE1-CD2 4.07Å; Y143-L292 HydrophobicContact CE2-CD2 4.27Å; Y143-L292 HydrophobicContact CG-CD1 4.09Å; Y143-L292 HydrophobicContact CG-CD2 3.71Å
144	Q	94.4	Very high	92.8	Very high	35 Å²	35	32.6 Å²	32.6	16%	0.164	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	108.2	169.9	-178.2	66.4	10	0	0	108.6	N146	Q144-N146 HydrophobicContact CG-CB 4.48Å; Q144-N146 PolarHBondContact O-N 2.95Å
145	I	96.3	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	96.1	-178.5	-54.9	-54.2	0	0	0	108.6	D116 G128 Q130 L237 E288 L292	D116-I145 WeakPolarHBondContact CB-O 3.49Å; D116-I145 VanDerWaalsContact CG-O 3.31Å; G128-I145 PolarHBondContact N-O 3.27Å; G128-I145 WeakPolarHBondContact O-CB 3.41Å; G128-I145 PolarHBondContact O-N 3.49Å; Q130-I145 HydrophobicContact CB-CG1 3.86Å; Q130-I145 HydrophobicContact CG-CB 4.33Å; Q130-I145 HydrophobicContact CG-CG1 3.68Å; I145-L237 HydrophobicContact CD1-CD2 3.86Å; I145-E288 HydrophobicContact CD1-CG 4.39Å; I145-E288 HydrophobicContact CG2-CB 3.78Å; I145-E288 HydrophobicContact CG2-CG 3.94Å; I145-E288 VanDerWaalsContact CG2-OE2 3.24Å; I145-E288 WeakPolarHBondContact CG2-OE2 3.3Å; I145-L292 HydrophobicContact CD1-CD1 4.09Å; I145-L292 HydrophobicContact CD1-CD2 4.26Å; I145-L292 HydrophobicContact CD1-CG 4.3Å
146	N	96.3	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.			trans	-130.2	13.1	-176.7	67.6	1.6	0	0	0	113	L110 Y111 L114 D116 Q144 L148 Q149 A150 R242	L110-N146 PolarHBondContact O-ND2 3.28Å; Y111-N146 PolarHBondContact O-ND2 2.85Å; L114-N146 PolarHBondContact O-ND2 3.46Å; D116-N146 HydrophobicContact CB-CB 3.88Å; Q144-N146 HydrophobicContact CG-CB 4.48Å; Q144-N146 PolarHBondContact O-N 2.95Å; N146-L148 VanDerWaalsContact C-N 3.35Å; N146-L148 PolarHBondContact O-N 2.63Å; N146-Q149 PolarHBondContact O-N 3.36Å; N146-A150 WeakPolarHBondContact O-CB 3.32Å; N146-A150 PolarHBondContact O-N 3.37Å; N146-R242 PolarHBondContact OD1-NH2 3.5Å
147	G	96	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-37.6	-169.8	0	0	0	0	0	113.1	Q149 A150 W151 R242 E288	G147-Q149 PolarHBondContact O-N 3.24Å; G147-A150 PolarHBondContact O-N 2.93Å; G147-W151 VanDerWaalsContact O-CB 3.29Å; G147-W151 WeakPolarHBondContact O-CB 3.47Å; G147-W151 PolarHBondContact O-N 2.86Å; G147-R242 VanDerWaalsContact CA-CZ 3.47Å; G147-R242 VanDerWaalsContact CA-NH2 3.33Å; G147-E288 WeakPolarHBondContact CA-OE2 3.44Å; G147-E288 PolarHBondContact N-OE2 3.5Å
148	L	96.5	Very high	95.1	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-45.4	175.9	-177.1	62.1	0	0	0	111.4	L122 Y125 N146 W151 L152 F285 W286	L122-L148 HydrophobicContact CD1-CD2 3.79Å; Y125-L148 HydrophobicContact CD2-CD2 4.1Å; Y125-L148 HydrophobicContact CE1-CD2 4.44Å; Y125-L148 HydrophobicContact CE2-CB 4.16Å; Y125-L148 HydrophobicContact CE2-CD2 4Å; Y125-L148 HydrophobicContact CG-CD2 4.39Å; N146-L148 VanDerWaalsContact C-N 3.35Å; N146-L148 PolarHBondContact O-N 2.63Å; L148-W151 PolarHBondContact O-N 3.32Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 WeakPolarHBondContact O-CB 3.47Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.48Å; L148-F285 HydrophobicContact CB-CB 4.09Å; L148-F285 HydrophobicContact CD1-CB 4.14Å; L148-W286 HydrophobicContact CD2-CE3 3.76Å; L148-W286 HydrophobicContact CD2-CZ3 4.21Å
149	Q	96.4	Very high	95.7	Very high	20 Å²	20	36.4 Å²	36.4	9%	0.093	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-41.7	177.5	-165.2	177.3	-45.2	0	0	112	L114 P115 N146 G147 W151 L152 L153	L114-Q149 HydrophobicContact CD2-CB 4.16Å; L114-Q149 HydrophobicContact CD2-CG 3.92Å; P115-Q149 PolarHBondContact O-NE2 2.86Å; N146-Q149 PolarHBondContact O-N 3.36Å; G147-Q149 PolarHBondContact O-N 3.24Å; Q149-W151 VanDerWaalsContact C-N 3.32Å; Q149-W151 PolarHBondContact O-N 3.37Å; Q149-L152 PolarHBondContact O-N 3.07Å; Q149-L153 HydrophobicContact CG-CD1 4.4Å; Q149-L153 WeakPolarHBondContact O-CG 3.23Å; Q149-L153 PolarHBondContact O-N 2.85Å
150	A	97.1	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-42.2	175.6	0	0	0	0	0	111.5	L110 N146 G147 T154	L110-A150 HydrophobicContact CB-CB 4.13Å; L110-A150 HydrophobicContact CD1-CB 4.04Å; N146-A150 WeakPolarHBondContact O-CB 3.32Å; N146-A150 PolarHBondContact O-N 3.37Å; G147-A150 PolarHBondContact O-N 2.93Å; A150-T154 VanDerWaalsContact O-CB 3.23Å; A150-T154 WeakPolarHBondContact O-CB 3.45Å; A150-T154 PolarHBondContact O-N 3.3Å; A150-T154 PolarHBondContact O-OG1 3.02Å
151	W	97.4	Very high	96.4	Very high	31 Å²	31	32.9 Å²	32.9	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-48.5	174.7	-177.4	93.9	0	0	0	111.4	G147 L148 Q149 T154 H155 T249 I282 F285	G147-W151 VanDerWaalsContact O-CB 3.29Å; G147-W151 WeakPolarHBondContact O-CB 3.47Å; G147-W151 PolarHBondContact O-N 2.86Å; L148-W151 PolarHBondContact O-N 3.32Å; Q149-W151 VanDerWaalsContact C-N 3.32Å; Q149-W151 PolarHBondContact O-N 3.37Å; W151-T154 PolarHBondContact O-N 2.91Å; W151-H155 AromaticContact CD1-CE1 3.37Å; W151-H155 AromaticContact CD1-ND1 3.65Å; W151-H155 AromaticContact CD2-CE1 3.96Å; W151-H155 AromaticContact CD2-ND1 3.61Å; W151-H155 AromaticContact CE2-CD2 3.97Å; W151-H155 AromaticContact CE2-CE1 3.39Å; W151-H155 AromaticContact CE2-CG 3.81Å; W151-H155 AromaticContact CE2-ND1 3.42Å; W151-H155 AromaticContact CE2-NE2 3.73Å; W151-H155 AromaticContact CG-CE1 3.94Å; W151-H155 AromaticContact CG-ND1 3.74Å; W151-H155 AromaticContact CZ2-CD2 3.75Å; W151-H155 AromaticContact CZ2-CE1 3.95Å; W151-H155 AromaticContact CZ2-CG 3.83Å; W151-H155 AromaticContact CZ2-ND1 3.93Å; W151-H155 AromaticContact CZ2-NE2 3.84Å; W151-H155 AromaticContact NE1-CE1 3.02Å; W151-H155 PolarHBondContact NE1-CE1 2.98Å; W151-H155 AromaticContact NE1-ND1 3.48Å; W151-H155 PolarHBondContact NE1-ND1 3.33Å; W151-H155 AromaticContact NE1-NE2 3.53Å; W151-H155 PolarHBondContact O-N 2.87Å; W151-H155 PolarHBondContact O-ND1 3.15Å; W151-T249 PolarHBondContact NE1-OG1 3.02Å; W151-I282 HydrophobicContact CE3-CG1 4.49Å; W151-I282 HydrophobicContact CH2-CD1 3.62Å; W151-I282 HydrophobicContact CH2-CG1 3.73Å; W151-I282 HydrophobicContact CZ2-CD1 3.99Å; W151-I282 HydrophobicContact CZ2-CG1 3.76Å; W151-I282 HydrophobicContact CZ3-CD1 4.2Å; W151-I282 HydrophobicContact CZ3-CG1 4.09Å; W151-F285 HydrophobicContact CB-CD2 3.89Å; W151-F285 HydrophobicContact CB-CE2 4.05Å; W151-F285 HydrophobicContact CB-CG 4.43Å; W151-F285 AromaticContact CD1-CD2 3.73Å; W151-F285 AromaticContact CD1-CE2 3.48Å; W151-F285 VanDerWaalsContact CD1-CE2 3.48Å; W151-F285 AromaticContact CG-CD2 3.87Å; W151-F285 HydrophobicContact CG-CD2 3.87Å; W151-F285 AromaticContact CG-CE2 3.99Å; W151-F285 HydrophobicContact CG-CE2 3.99Å
152	L	96.9	Very high	96.4	Very high	65 Å²	65	32.7 Å²	32.7	34%	0.34	17%	0.167	S	C	.	.	H	α-helix	trans	-58	-51.8	178.4	-76.2	169	0	0	0	111.5	L148 Q149 T154 H155 L156	L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 WeakPolarHBondContact O-CB 3.47Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.48Å; Q149-L152 PolarHBondContact O-N 3.07Å; L152-T154 VanDerWaalsContact C-N 3.32Å; L152-T154 PolarHBondContact O-N 3.28Å; L152-H155 PolarHBondContact O-N 3.46Å; L152-L156 VanDerWaalsContact O-CB 3.28Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.09Å; L152-L156 PolarHBondContact O-N 3.4Å
153	L	97.3	Very high	96.4	Very high	63 Å²	63	35 Å²	35	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-59.9	-44.4	179.2	-69.4	176.7	0	0	0	111.5	L110 L114 Q149 H155 L157	L110-L153 HydrophobicContact CD2-CD1 4.25Å; L114-L153 HydrophobicContact CD1-CD1 3.93Å; L114-L153 HydrophobicContact CD2-CD1 3.7Å; L114-L153 HydrophobicContact CG-CD1 4.48Å; Q149-L153 HydrophobicContact CG-CD1 4.4Å; Q149-L153 WeakPolarHBondContact O-CG 3.23Å; Q149-L153 PolarHBondContact O-N 2.85Å; L153-H155 PolarHBondContact O-N 2.86Å; L153-L157 WeakPolarHBondContact O-CB 3.04Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.01Å
154	T	97.3	Very high	96.4	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-46.5	178.2	-62.1	0	0	0	0	111.8	W103 F106 Q107 A150 W151 L152 W158 V246 L250	W103-T154 HydrophobicContact CH2-CG2 4.04Å; W103-T154 HydrophobicContact CZ3-CG2 3.68Å; F106-T154 HydrophobicContact CE1-CG2 4.48Å; Q107-T154 PolarHBondContact NE2-OG1 3.5Å; Q107-T154 VanDerWaalsContact NE2-OG1 3.14Å; A150-T154 VanDerWaalsContact O-CB 3.23Å; A150-T154 WeakPolarHBondContact O-CB 3.45Å; A150-T154 PolarHBondContact O-N 3.3Å; A150-T154 PolarHBondContact O-OG1 3.02Å; W151-T154 PolarHBondContact O-N 2.91Å; L152-T154 VanDerWaalsContact C-N 3.32Å; L152-T154 PolarHBondContact O-N 3.28Å; T154-W158 PolarHBondContact O-N 2.94Å; T154-W158 VanDerWaalsContact O-N 3.13Å; T154-V246 HydrophobicContact CG2-CG1 3.84Å; T154-L250 HydrophobicContact CG2-CD1 3.56Å; T154-L250 HydrophobicContact CG2-CD2 4.37Å; T154-L250 HydrophobicContact CG2-CG 4.22Å
155	H	97.6	Very high	96.5	Very high	6 Å²	6	43 Å²	43	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-75	-39.7	-177.8	-73.4	70.1	0	0	0	112.2	W151 L152 L153 L157 W158 F159 T249	W151-H155 AromaticContact CD1-CE1 3.37Å; W151-H155 AromaticContact CD1-ND1 3.65Å; W151-H155 AromaticContact CD2-CE1 3.96Å; W151-H155 AromaticContact CD2-ND1 3.61Å; W151-H155 AromaticContact CE2-CD2 3.97Å; W151-H155 AromaticContact CE2-CE1 3.39Å; W151-H155 AromaticContact CE2-CG 3.81Å; W151-H155 AromaticContact CE2-ND1 3.42Å; W151-H155 AromaticContact CE2-NE2 3.73Å; W151-H155 AromaticContact CG-CE1 3.94Å; W151-H155 AromaticContact CG-ND1 3.74Å; W151-H155 AromaticContact CZ2-CD2 3.75Å; W151-H155 AromaticContact CZ2-CE1 3.95Å; W151-H155 AromaticContact CZ2-CG 3.83Å; W151-H155 AromaticContact CZ2-ND1 3.93Å; W151-H155 AromaticContact CZ2-NE2 3.84Å; W151-H155 AromaticContact NE1-CE1 3.02Å; W151-H155 PolarHBondContact NE1-CE1 2.98Å; W151-H155 AromaticContact NE1-ND1 3.48Å; W151-H155 PolarHBondContact NE1-ND1 3.33Å; W151-H155 AromaticContact NE1-NE2 3.53Å; W151-H155 PolarHBondContact O-N 2.87Å; W151-H155 PolarHBondContact O-ND1 3.15Å; L152-H155 PolarHBondContact O-N 3.46Å; L153-H155 PolarHBondContact O-N 2.86Å; H155-L157 VanDerWaalsContact C-N 3.3Å; H155-L157 PolarHBondContact O-N 2.85Å; H155-W158 PolarHBondContact O-N 2.82Å; H155-W158 VanDerWaalsContact O-N 3.16Å; H155-F159 WeakPolarHBondContact O-CD2 3.46Å; H155-F159 PolarHBondContact O-N 2.83Å; H155-T249 PolarHBondContact CE1-OG1 3.05Å; H155-T249 WeakPolarHBondContact NE2-CB 3.4Å; H155-T249 PolarHBondContact NE2-OG1 2.96Å
156	L	97.4	Very high	96.4	Very high	109 Å²	109	47.5 Å²	47.5	57%	0.571	25%	0.253	S	S	*	.	H	α-helix	trans	-60.3	-41	174.5	-72.5	173.2	0	0	0	111.3	L152 F159 A160	L152-L156 VanDerWaalsContact O-CB 3.28Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.09Å; L152-L156 PolarHBondContact O-N 3.4Å; L156-F159 PolarHBondContact O-N 3.16Å; L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 2.93Å
157	L	97	Very high	96.3	Very high	88 Å²	88	56.7 Å²	56.7	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-41.3	174.3	-74.2	171.9	0	0	0	111.9	F106 L153 H155 N161	F106-L157 HydrophobicContact CE2-CD1 4.28Å; F106-L157 HydrophobicContact CZ-CD1 3.69Å; L153-L157 WeakPolarHBondContact O-CB 3.04Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.01Å; H155-L157 VanDerWaalsContact C-N 3.3Å; H155-L157 PolarHBondContact O-N 2.85Å; L157-N161 VanDerWaalsContact O-CB 3.31Å; L157-N161 WeakPolarHBondContact O-CB 3.22Å; L157-N161 PolarHBondContact O-N 3.43Å
158	W	96.6	Very high	96.3	Very high	24 Å²	24	60.4 Å²	60.4	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-45	175.7	-173.1	96	0	0	0	112	T154 H155 N161 A162 P170 L250 L253	T154-W158 PolarHBondContact O-N 2.94Å; T154-W158 VanDerWaalsContact O-N 3.13Å; H155-W158 PolarHBondContact O-N 2.82Å; H155-W158 VanDerWaalsContact O-N 3.16Å; W158-N161 WeakPolarHBondContact O-CB 3.29Å; W158-N161 PolarHBondContact O-N 2.86Å; W158-A162 HydrophobicContact CE3-CB 4.35Å; W158-A162 HydrophobicContact CH2-CB 4.4Å; W158-A162 HydrophobicContact CZ3-CB 4.13Å; W158-A162 WeakPolarHBondContact O-CB 3.29Å; W158-A162 PolarHBondContact O-N 2.83Å; W158-P170 HydrophobicContact CH2-CB 4.1Å; W158-P170 HydrophobicContact CZ2-CB 3.73Å; W158-L250 HydrophobicContact CB-CD2 3.82Å; W158-L250 HydrophobicContact CG-CD2 3.84Å; W158-L253 HydrophobicContact CE3-CD1 4.07Å; W158-L253 HydrophobicContact CH2-CB 3.84Å; W158-L253 HydrophobicContact CZ2-CB 3.98Å; W158-L253 HydrophobicContact CZ3-CB 4.14Å; W158-L253 HydrophobicContact CZ3-CD1 4.17Å
159	F	96.8	Very high	96.3	Very high	88 Å²	88	62.5 Å²	62.5	39%	0.386	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-44	176.6	-81.9	-67	0	0	0	112.3	H155 L156 N161 A162 H163 L253	H155-F159 WeakPolarHBondContact O-CD2 3.46Å; H155-F159 PolarHBondContact O-N 2.83Å; L156-F159 PolarHBondContact O-N 3.16Å; F159-N161 VanDerWaalsContact C-N 3.26Å; F159-N161 PolarHBondContact O-N 3.43Å; F159-A162 PolarHBondContact O-N 2.84Å; F159-A162 VanDerWaalsContact O-N 3.15Å; F159-H163 PolarHBondContact O-CD2 3.35Å; F159-H163 PolarHBondContact O-N 3.29Å; F159-L253 HydrophobicContact CE2-CD1 4.2Å; F159-L253 HydrophobicContact CZ-CD1 4.09Å; F159-L253 HydrophobicContact CZ-CD2 4.21Å
160	A	97.3	Very high	96.3	Very high	30 Å²	30	62.9 Å²	62.9	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-40.9	174.3	0	0	0	0	0	110.8	L156 L164 L165	L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 2.93Å; A160-L164 WeakPolarHBondContact O-CA 3.21Å; A160-L164 VanDerWaalsContact O-CB 3.29Å; A160-L164 WeakPolarHBondContact O-CB 3.29Å; A160-L164 PolarHBondContact O-N 2.83Å; A160-L165 HydrophobicContact CB-CD1 4.23Å; A160-L165 PolarHBondContact O-N 3.47Å
161	N	96.2	Very high	96.4	Very high	2 Å²	2	63 Å²	63	1%	0.011	32%	0.324	C	S	.	.	I	π-helix	trans	-62	-47.5	172.4	173.9	75.9	0	0	0	112.4	L157 W158 F159 H163 S166 W167 F168	L157-N161 VanDerWaalsContact O-CB 3.31Å; L157-N161 WeakPolarHBondContact O-CB 3.22Å; L157-N161 PolarHBondContact O-N 3.43Å; W158-N161 WeakPolarHBondContact O-CB 3.29Å; W158-N161 PolarHBondContact O-N 2.86Å; F159-N161 VanDerWaalsContact C-N 3.26Å; F159-N161 PolarHBondContact O-N 3.43Å; N161-H163 VanDerWaalsContact C-N 3.3Å; N161-H163 PolarHBondContact O-N 3.47Å; N161-S166 WeakPolarHBondContact O-CA 3.39Å; N161-S166 PolarHBondContact O-N 2.7Å; N161-W167 WeakPolarHBondContact OD1-CA 3.41Å; N161-W167 WeakPolarHBondContact OD1-CB 3.46Å; N161-W167 PolarHBondContact OD1-N 3.45Å; N161-F168 HydrophobicContact CB-CE1 3.93Å; N161-F168 HydrophobicContact CB-CE2 4.42Å; N161-F168 HydrophobicContact CB-CZ 3.84Å; N161-F168 VanDerWaalsContact CG-CE1 3.45Å; N161-F168 VanDerWaalsContact ND2-CD2 3.27Å; N161-F168 WeakPolarHBondContact ND2-CD2 3.18Å; N161-F168 WeakPolarHBondContact ND2-CE2 3.38Å; N161-F168 WeakPolarHBondContact ND2-CZ 3.28Å; N161-F168 PolarHBondContact ND2-O 3.4Å; N161-F168 WeakPolarHBondContact OD1-CD1 3.44Å; N161-F168 PolarHBondContact OD1-N 3.31Å
162	A	94.1	Very high	96.4	Very high	25 Å²	25	62.5 Å²	62.5	21%	0.207	32%	0.324	C	S	.	.	I	π-helix	trans	-65.7	-29.4	-175.9	0	0	0	0	0	113.9	W158 F159 P170	W158-A162 HydrophobicContact CE3-CB 4.35Å; W158-A162 HydrophobicContact CH2-CB 4.4Å; W158-A162 HydrophobicContact CZ3-CB 4.13Å; W158-A162 WeakPolarHBondContact O-CB 3.29Å; W158-A162 PolarHBondContact O-N 2.83Å; F159-A162 PolarHBondContact O-N 2.84Å; F159-A162 VanDerWaalsContact O-N 3.15Å; A162-P170 HydrophobicContact CB-CB 4.34Å; A162-P170 HydrophobicContact CB-CG 3.79Å
163	H	94.4	Very high	96.5	Very high	132 Å²	132	61 Å²	61	61%	0.611	32%	0.315	S	S	*	.	I	π-helix	trans	-114.2	-23.5	-173.1	-67.6	-71	0	0	0	115.3	F159 N161	F159-H163 PolarHBondContact O-CD2 3.35Å; F159-H163 PolarHBondContact O-N 3.29Å; N161-H163 VanDerWaalsContact C-N 3.3Å; N161-H163 PolarHBondContact O-N 3.47Å
164	L	95.8	Very high	96.5	Very high	138 Å²	138	59.1 Å²	59.1	72%	0.723	31%	0.305	S	S	*	.	I	π-helix	trans	-124.4	-49.5	-171.2	-53.8	174.7	0	0	0	112.8	A160	A160-L164 WeakPolarHBondContact O-CA 3.21Å; A160-L164 VanDerWaalsContact O-CB 3.29Å; A160-L164 WeakPolarHBondContact O-CB 3.29Å; A160-L164 PolarHBondContact O-N 2.83Å
165	L	95.6	Very high	96.5	Very high	69 Å²	69	62.1 Å²	62.1	36%	0.361	32%	0.321	S	S	.	.	I	π-helix	trans	-90.7	-33.8	-167	-51.4	169.7	0	0	0	113.4	A160 W167	A160-L165 HydrophobicContact CB-CD1 4.23Å; A160-L165 PolarHBondContact O-N 3.47Å; L165-W167 HydrophobicContact CB-CD2 3.93Å; L165-W167 HydrophobicContact CB-CG 3.96Å; L165-W167 HydrophobicContact CB-CZ2 4.42Å; L165-W167 HydrophobicContact CD1-CD2 4.04Å; L165-W167 HydrophobicContact CD1-CE3 3.98Å; L165-W167 HydrophobicContact CD1-CH2 3.78Å; L165-W167 HydrophobicContact CD1-CZ2 3.82Å; L165-W167 HydrophobicContact CD1-CZ3 3.86Å; L165-W167 HydrophobicContact CD2-CZ2 4.11Å; L165-W167 HydrophobicContact CG-CZ2 4.34Å; L165-W167 VanDerWaalsContact O-CD1 3.31Å; L165-W167 PolarHBondContact O-N 3.49Å; L165-W167 VanDerWaalsContact O-N 3.1Å
166	S	94.7	Very high	96.6	Very high	95 Å²	95	62.4 Å²	62.4	66%	0.664	32%	0.322	S	S	*	.			trans	50.3	32.7	-177.6	-55.6	0	0	0	0	114.4	N161 F168	N161-S166 WeakPolarHBondContact O-CA 3.39Å; N161-S166 PolarHBondContact O-N 2.7Å; S166-F168 VanDerWaalsContact C-N 3.3Å; S166-F168 PolarHBondContact O-N 3.13Å
167	W	94.4	Very high	96.6	Very high	192 Å²	192	57.9 Å²	57.9	73%	0.727	30%	0.298	S	S	*	.	S	Bend	trans	-67.8	-30.3	178.2	-63.7	-17.1	0	0	0	112.6	N161 L165	N161-W167 WeakPolarHBondContact OD1-CA 3.41Å; N161-W167 WeakPolarHBondContact OD1-CB 3.46Å; N161-W167 PolarHBondContact OD1-N 3.45Å; L165-W167 HydrophobicContact CB-CD2 3.93Å; L165-W167 HydrophobicContact CB-CG 3.96Å; L165-W167 HydrophobicContact CB-CZ2 4.42Å; L165-W167 HydrophobicContact CD1-CD2 4.04Å; L165-W167 HydrophobicContact CD1-CE3 3.98Å; L165-W167 HydrophobicContact CD1-CH2 3.78Å; L165-W167 HydrophobicContact CD1-CZ2 3.82Å; L165-W167 HydrophobicContact CD1-CZ3 3.86Å; L165-W167 HydrophobicContact CD2-CZ2 4.11Å; L165-W167 HydrophobicContact CG-CZ2 4.34Å; L165-W167 VanDerWaalsContact O-CD1 3.31Å; L165-W167 PolarHBondContact O-N 3.49Å; L165-W167 VanDerWaalsContact O-N 3.1Å
168	F	94.7	Very high	96.7	Very high	79 Å²	79	54.1 Å²	54.1	35%	0.346	28%	0.278	S	S	.	.	S	Bend	trans	-148.6	158.7	174.8	57.3	-94	0	0	0	111.8	N161 S166 I172	N161-F168 HydrophobicContact CB-CE1 3.93Å; N161-F168 HydrophobicContact CB-CE2 4.42Å; N161-F168 HydrophobicContact CB-CZ 3.84Å; N161-F168 VanDerWaalsContact CG-CE1 3.45Å; N161-F168 VanDerWaalsContact ND2-CD2 3.27Å; N161-F168 WeakPolarHBondContact ND2-CD2 3.18Å; N161-F168 WeakPolarHBondContact ND2-CE2 3.38Å; N161-F168 WeakPolarHBondContact ND2-CZ 3.28Å; N161-F168 PolarHBondContact ND2-O 3.4Å; N161-F168 WeakPolarHBondContact OD1-CD1 3.44Å; N161-F168 PolarHBondContact OD1-N 3.31Å; S166-F168 VanDerWaalsContact C-N 3.3Å; S166-F168 PolarHBondContact O-N 3.13Å; F168-I172 HydrophobicContact CB-CD1 3.97Å; F168-I172 HydrophobicContact CD2-CB 4.49Å; F168-I172 HydrophobicContact CD2-CG2 3.79Å; F168-I172 HydrophobicContact CE2-CG2 4.22Å; F168-I172 HydrophobicContact CG-CD1 4.49Å
169	S	96.9	Very high	96.7	Very high	49 Å²	49	53.6 Å²	53.6	34%	0.343	28%	0.277	S	S	.	.			trans	-64.4	135.4	177.7	-175.4	0	0	0	0	111.5	T171 I172	S169-T171 PolarHBondContact O-N 2.88Å; S169-T171 VanDerWaalsContact O-N 3.09Å; S169-T171 PolarHBondContact OG-N 2.98Å; S169-T171 PolarHBondContact OG-OG1 3.13Å; S169-I172 WeakPolarHBondContact O-CB 3.19Å; S169-I172 VanDerWaalsContact O-CG2 3.3Å; S169-I172 WeakPolarHBondContact O-CG2 3.36Å; S169-I172 PolarHBondContact O-N 2.89Å
170	P	97.4	Very high	96.8	Very high	28 Å²	28	50 Å²	50	18%	0.182	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.1	169.7	-25.6	36.2	0	0	0	113.9	W158 A162 I172 S254 A257	W158-P170 HydrophobicContact CH2-CB 4.1Å; W158-P170 HydrophobicContact CZ2-CB 3.73Å; A162-P170 HydrophobicContact CB-CB 4.34Å; A162-P170 HydrophobicContact CB-CG 3.79Å; P170-I172 VanDerWaalsContact C-N 3.34Å; P170-S254 WeakPolarHBondContact O-CA 3.34Å; P170-S254 WeakPolarHBondContact O-CB 3.32Å; P170-S254 PolarHBondContact O-OG 2.94Å; P170-A257 HydrophobicContact CB-CB 3.79Å
171	T	98.1	Very high	96.9	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.025	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.9	178	60.8	0	0	0	0	114.1	S169 I173 F174 D175 S254 A257 K258 E261	S169-T171 PolarHBondContact O-N 2.88Å; S169-T171 VanDerWaalsContact O-N 3.09Å; S169-T171 PolarHBondContact OG-N 2.98Å; S169-T171 PolarHBondContact OG-OG1 3.13Å; T171-I173 PolarHBondContact O-N 2.7Å; T171-F174 PolarHBondContact O-N 3.18Å; T171-D175 WeakPolarHBondContact CB-OD2 3.21Å; T171-D175 PolarHBondContact O-N 3.18Å; T171-D175 PolarHBondContact OG1-OD2 3.34Å; T171-S254 VanDerWaalsContact C-OG 3.3Å; T171-S254 WeakPolarHBondContact CA-OG 3.2Å; T171-S254 PolarHBondContact O-OG 2.94Å; T171-A257 HydrophobicContact CG2-CB 4.1Å; T171-K258 HydrophobicContact CG2-CB 4.17Å; T171-K258 HydrophobicContact CG2-CD 3.98Å; T171-E261 HydrophobicContact CG2-CB 4.39Å
172	I	97.9	Very high	97	Very high	20 Å²	20	51.5 Å²	51.5	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-55.2	-32	-166.5	-168.4	163.3	0	0	0	114.5	L99 F168 S169 P170 N176	L99-I172 HydrophobicContact CD1-CD1 3.77Å; L99-I172 HydrophobicContact CD1-CG1 3.72Å; L99-I172 HydrophobicContact CD2-CD1 3.6Å; L99-I172 HydrophobicContact CD2-CG1 4.37Å; L99-I172 HydrophobicContact CG-CD1 4.33Å; F168-I172 HydrophobicContact CB-CD1 3.97Å; F168-I172 HydrophobicContact CD2-CB 4.49Å; F168-I172 HydrophobicContact CD2-CG2 3.79Å; F168-I172 HydrophobicContact CE2-CG2 4.22Å; F168-I172 HydrophobicContact CG-CD1 4.49Å; S169-I172 WeakPolarHBondContact O-CB 3.19Å; S169-I172 VanDerWaalsContact O-CG2 3.3Å; S169-I172 WeakPolarHBondContact O-CG2 3.36Å; S169-I172 PolarHBondContact O-N 2.89Å; P170-I172 VanDerWaalsContact C-N 3.34Å; I172-N176 PolarHBondContact O-N 3.14Å; I172-N176 PolarHBondContact O-ND2 3.47Å
173	I	98.1	Very high	97.2	Very high	32 Å²	32	50.9 Å²	50.9	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-71.9	-48.9	179.2	-58	174.2	0	0	0	109.6	T171 D175 N176 W177 L180 L250 I251 S254	T171-I173 PolarHBondContact O-N 2.7Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.46Å; I173-N176 CarbonylContact O-C 3.58Å; I173-N176 PolarHBondContact O-N 3.01Å; I173-W177 HydrophobicContact CG2-CE3 3.98Å; I173-W177 HydrophobicContact CG2-CZ3 4.07Å; I173-W177 WeakPolarHBondContact O-CA 3.29Å; I173-W177 PolarHBondContact O-N 2.95Å; I173-L180 HydrophobicContact CG2-CD1 4.22Å; I173-L250 HydrophobicContact CD1-CB 4.02Å; I173-I251 HydrophobicContact CG2-CG1 3.95Å; I173-S254 WeakPolarHBondContact CB-OG 3.26Å; I173-S254 PolarHBondContact N-OG 3.43Å
174	F	98.4	Very high	97.3	Very high	24 Å²	24	44.6 Å²	44.6	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-46.4	175.2	-177	-83.8	0	0	0	111.3	T171 N176 W177 S254 F255 K258 L323 V326 Y327	T171-F174 PolarHBondContact O-N 3.18Å; F174-N176 PolarHBondContact O-N 3.2Å; F174-N176 VanDerWaalsContact O-N 3.08Å; F174-W177 WeakPolarHBondContact O-CB 3.37Å; F174-W177 PolarHBondContact O-N 2.8Å; F174-S254 PolarHBondContact N-OG 2.59Å; F174-S254 VanDerWaalsContact N-OG 3.15Å; F174-F255 HydrophobicContact CB-CD1 4.01Å; F174-F255 HydrophobicContact CB-CE1 4.2Å; F174-F255 AromaticContact CD2-CD1 3.59Å; F174-F255 HydrophobicContact CD2-CD1 3.59Å; F174-F255 AromaticContact CD2-CE1 3.69Å; F174-F255 HydrophobicContact CD2-CE1 3.69Å; F174-F255 HydrophobicContact CG-CD1 4.28Å; F174-F255 HydrophobicContact CG-CE1 4.42Å; F174-K258 HydrophobicContact CB-CB 4.09Å; F174-K258 HydrophobicContact CB-CD 4.49Å; F174-K258 HydrophobicContact CB-CG 4.26Å; F174-K258 HydrophobicContact CD1-CB 4.15Å; F174-K258 HydrophobicContact CD1-CD 3.48Å; F174-K258 VanDerWaalsContact CD1-CD 3.48Å; F174-K258 HydrophobicContact CD1-CG 3.38Å; F174-K258 HydrophobicContact CD2-CB 4.3Å; F174-K258 HydrophobicContact CD2-CG 4.14Å; F174-K258 HydrophobicContact CE1-CD 3.92Å; F174-K258 HydrophobicContact CE1-CG 3.64Å; F174-K258 HydrophobicContact CE2-CG 4.35Å; F174-K258 HydrophobicContact CG-CB 3.91Å; F174-K258 HydrophobicContact CG-CD 4.1Å; F174-K258 HydrophobicContact CG-CG 3.65Å; F174-K258 HydrophobicContact CZ-CG 4.11Å; F174-L323 HydrophobicContact CD2-CD1 4.28Å; F174-L323 HydrophobicContact CE2-CD1 3.82Å; F174-V326 HydrophobicContact CD2-CB 4.48Å; F174-V326 HydrophobicContact CD2-CG1 4.21Å; F174-V326 HydrophobicContact CD2-CG2 4.11Å; F174-V326 HydrophobicContact CE1-CG1 4.44Å; F174-V326 HydrophobicContact CE2-CB 3.82Å; F174-V326 HydrophobicContact CE2-CG1 3.51Å; F174-V326 HydrophobicContact CE2-CG2 3.92Å; F174-V326 HydrophobicContact CZ-CB 4.37Å; F174-V326 HydrophobicContact CZ-CG1 3.64Å; F174-Y327 HydrophobicContact CE2-CE2 4.16Å; F174-Y327 HydrophobicContact CZ-CE1 4.37Å; F174-Y327 HydrophobicContact CZ-CE2 4.11Å; F174-Y327 AromaticContact CZ-CZ 3.74Å; F174-Y327 WeakPolarHBondContact CZ-OH 3.33Å
175	D	98.1	Very high	97.4	Very high	71 Å²	71	38.9 Å²	38.9	38%	0.38	20%	0.197	S	C	.	.	H	α-helix	trans	-64.7	-18.3	-176.5	-61.6	-28.7	0	0	0	113.2	T171 I173 K258	T171-D175 WeakPolarHBondContact CB-OD2 3.21Å; T171-D175 PolarHBondContact O-N 3.18Å; T171-D175 PolarHBondContact OG1-OD2 3.34Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.46Å; D175-K258 WeakPolarHBondContact OD1-CE 3.33Å; D175-K258 IonicContact OD1-NZ 3.23Å; D175-K258 PolarHBondContact OD1-NZ 2.85Å
176	N	98.3	Very high	97.5	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	19	177.3	-63.4	-93.9	0	0	0	111.8	A96 I172 I173 F174 I178 P179 L180	A96-N176 HydrophobicContact CB-CB 4.39Å; I172-N176 PolarHBondContact O-N 3.14Å; I172-N176 PolarHBondContact O-ND2 3.47Å; I173-N176 CarbonylContact O-C 3.58Å; I173-N176 PolarHBondContact O-N 3.01Å; F174-N176 PolarHBondContact O-N 3.2Å; F174-N176 VanDerWaalsContact O-N 3.08Å; N176-I178 PolarHBondContact O-N 3.42Å; N176-P179 VanDerWaalsContact O-CD 3.31Å; N176-P179 WeakPolarHBondContact O-CD 3.31Å; N176-L180 HydrophobicContact CB-CD1 4.01Å; N176-L180 HydrophobicContact CB-CG 4.05Å; N176-L180 WeakPolarHBondContact O-CB 3.36Å; N176-L180 WeakPolarHBondContact O-CG 3.25Å; N176-L180 PolarHBondContact O-N 3.48Å
177	W	98	Very high	97.7	Very high	14 Å²	14	37.9 Å²	37.9	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-46.2	-166.4	-174.1	-125.9	0	0	0	114	I173 F174 L181 I251 F255 Y316	I173-W177 HydrophobicContact CG2-CE3 3.98Å; I173-W177 HydrophobicContact CG2-CZ3 4.07Å; I173-W177 WeakPolarHBondContact O-CA 3.29Å; I173-W177 PolarHBondContact O-N 2.95Å; F174-W177 WeakPolarHBondContact O-CB 3.37Å; F174-W177 PolarHBondContact O-N 2.8Å; W177-L181 PolarHBondContact O-N 2.93Å; W177-L181 VanDerWaalsContact O-N 3.12Å; W177-I251 HydrophobicContact CH2-CD1 3.98Å; W177-I251 HydrophobicContact CH2-CG1 4.29Å; W177-I251 HydrophobicContact CH2-CG2 3.66Å; W177-I251 HydrophobicContact CZ2-CG2 4.46Å; W177-I251 HydrophobicContact CZ3-CB 4.49Å; W177-I251 HydrophobicContact CZ3-CD1 3.95Å; W177-I251 HydrophobicContact CZ3-CG1 3.92Å; W177-I251 HydrophobicContact CZ3-CG2 3.7Å; W177-F255 HydrophobicContact CD2-CE1 4.29Å; W177-F255 HydrophobicContact CD2-CZ 4.09Å; W177-F255 AromaticContact CE2-CZ 3.84Å; W177-F255 HydrophobicContact CE3-CE1 4.38Å; W177-F255 HydrophobicContact CE3-CZ 4.3Å; W177-F255 HydrophobicContact CH2-CZ 4.12Å; W177-F255 AromaticContact CZ2-CZ 3.84Å; W177-F255 HydrophobicContact CZ2-CZ 3.84Å; W177-F255 HydrophobicContact CZ3-CZ 4.34Å; W177-Y316 HydrophobicContact CD2-CD1 4.28Å; W177-Y316 AromaticContact CD2-CE1 3.74Å; W177-Y316 HydrophobicContact CD2-CE1 3.74Å; W177-Y316 AromaticContact CE2-CD1 3.52Å; W177-Y316 AromaticContact CE2-CE1 3.46Å; W177-Y316 VanDerWaalsContact CE2-CE1 3.46Å; W177-Y316 AromaticContact CE3-CE1 3.93Å; W177-Y316 HydrophobicContact CE3-CE1 3.93Å; W177-Y316 HydrophobicContact CG-CE1 4.48Å; W177-Y316 AromaticContact CH2-CD1 3.64Å; W177-Y316 HydrophobicContact CH2-CD1 3.64Å; W177-Y316 HydrophobicContact CH2-CD2 4.41Å; W177-Y316 AromaticContact CH2-CE1 3.61Å; W177-Y316 HydrophobicContact CH2-CE1 3.61Å; W177-Y316 HydrophobicContact CH2-CE2 4.41Å; W177-Y316 HydrophobicContact CH2-CG 4.04Å; W177-Y316 AromaticContact CH2-CZ 3.98Å; W177-Y316 AromaticContact CZ2-CD1 3.18Å; W177-Y316 HydrophobicContact CZ2-CD1 3.18Å; W177-Y316 AromaticContact CZ2-CE1 3.43Å; W177-Y316 HydrophobicContact CZ2-CE1 3.43Å; W177-Y316 VanDerWaalsContact CZ2-CE1 3.43Å; W177-Y316 AromaticContact CZ2-CG 3.86Å; W177-Y316 HydrophobicContact CZ2-CG 3.86Å; W177-Y316 HydrophobicContact CZ3-CD1 4.35Å; W177-Y316 AromaticContact CZ3-CE1 3.85Å; W177-Y316 HydrophobicContact CZ3-CE1 3.85Å; W177-Y316 AromaticContact CZ3-CZ 3.99Å; W177-Y316 AromaticContact NE1-CD1 3.98Å; W177-Y316 PolarHBondContact O-OH 3Å
178	I	98	Very high	97.8	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.046	15%	0.148	C	C	.	.	H	α-helix	trans	-74.4	-47.1	179.7	-60.9	161.1	0	0	0	111.9	I58 M59 D62 T89 P90 N176 L180 L181 W182	I58-I178 HydrophobicContact CG2-CD1 4.47Å; I58-I178 HydrophobicContact CG2-CG1 3.75Å; M59-I178 HydrophobicContact CE-CB 4.44Å; M59-I178 HydrophobicContact CE-CD1 3.42Å; M59-I178 VanDerWaalsContact CE-CD1 3.42Å; M59-I178 HydrophobicContact CE-CG1 3.63Å; M59-I178 HydrophobicContact CE-CG2 3.96Å; D62-I178 HydrophobicContact CB-CD1 3.88Å; D62-I178 VanDerWaalsContact CG-CD1 3.44Å; D62-I178 WeakPolarHBondContact OD1-CD1 3.17Å; T89-I178 HydrophobicContact CG2-CG2 4.17Å; P90-I178 HydrophobicContact CB-CB 4.2Å; P90-I178 HydrophobicContact CB-CG2 4.1Å; P90-I178 HydrophobicContact CG-CB 4.18Å; P90-I178 HydrophobicContact CG-CD1 3.85Å; P90-I178 HydrophobicContact CG-CG2 4.25Å; N176-I178 PolarHBondContact O-N 3.42Å; I178-L180 PolarHBondContact O-N 3.48Å; I178-L181 VanDerWaalsContact O-CB 3.24Å; I178-L181 WeakPolarHBondContact O-CB 3.27Å; I178-L181 PolarHBondContact O-N 2.92Å; I178-W182 PolarHBondContact O-N 3.31Å
179	P	98.4	Very high	98	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.078	15%	0.147	C	C	.	.	H	α-helix	trans	-54.3	-37.4	170.8	-31.4	38.1	0	0	0	114.1	P90 T93 A96 N176 L181 W182 C183	P90-P179 HydrophobicContact CB-CG 4.17Å; T93-P179 HydrophobicContact CG2-CB 4.25Å; T93-P179 HydrophobicContact CG2-CG 4.01Å; A96-P179 HydrophobicContact CB-CB 3.33Å; N176-P179 VanDerWaalsContact O-CD 3.31Å; N176-P179 WeakPolarHBondContact O-CD 3.31Å; P179-L181 VanDerWaalsContact C-N 3.32Å; P179-W182 PolarHBondContact O-N 2.7Å; P179-C183 PolarHBondContact O-N 3.46Å; P179-C183 PolarHBondContact O-SG 2.84Å
180	L	98.4	Very high	98.1	Very high	14 Å²	14	29 Å²	29	7%	0.073	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-30.8	175.1	-69.5	170.2	0	0	0	112.2	A96 L99 Y100 I173 N176 I178 W182 C183 A184 Y316	A96-L180 HydrophobicContact CB-CD2 4.18Å; A96-L180 HydrophobicContact CB-CG 4.36Å; L99-L180 HydrophobicContact CB-CD2 4.43Å; Y100-L180 HydrophobicContact CD2-CD2 4.01Å; Y100-L180 HydrophobicContact CG-CD2 4.4Å; I173-L180 HydrophobicContact CG2-CD1 4.22Å; N176-L180 HydrophobicContact CB-CD1 4.01Å; N176-L180 HydrophobicContact CB-CG 4.05Å; N176-L180 WeakPolarHBondContact O-CB 3.36Å; N176-L180 WeakPolarHBondContact O-CG 3.25Å; N176-L180 PolarHBondContact O-N 3.48Å; I178-L180 PolarHBondContact O-N 3.48Å; L180-W182 VanDerWaalsContact C-N 3.27Å; L180-W182 PolarHBondContact O-N 2.86Å; L180-C183 WeakPolarHBondContact O-CB 3.23Å; L180-C183 PolarHBondContact O-N 3.46Å; L180-C183 VanDerWaalsContact O-N 3.15Å; L180-A184 WeakPolarHBondContact O-CB 3.29Å; L180-A184 PolarHBondContact O-N 3.22Å; L180-Y316 WeakPolarHBondContact CB-OH 3.16Å; L180-Y316 PolarHBondContact O-OH 3.42Å
181	L	98.2	Very high	98	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-39.8	176.9	175.4	62.5	0	0	0	110.6	V54 I58 W177 I178 P179 A184 N185 V312 Y316	V54-L181 HydrophobicContact CG1-CD1 3.68Å; I58-L181 HydrophobicContact CB-CD2 4.4Å; I58-L181 HydrophobicContact CG1-CD2 4.24Å; W177-L181 PolarHBondContact O-N 2.93Å; W177-L181 VanDerWaalsContact O-N 3.12Å; I178-L181 VanDerWaalsContact O-CB 3.24Å; I178-L181 WeakPolarHBondContact O-CB 3.27Å; I178-L181 PolarHBondContact O-N 2.92Å; P179-L181 VanDerWaalsContact C-N 3.32Å; L181-A184 PolarHBondContact O-N 2.87Å; L181-N185 WeakPolarHBondContact CD1-ND2 3.43Å; L181-N185 PolarHBondContact O-N 2.85Å; L181-N185 PolarHBondContact O-ND2 3.01Å; L181-V312 HydrophobicContact CD1-CG1 3.85Å; L181-Y316 VanDerWaalsContact CA-CZ 3.46Å; L181-Y316 WeakPolarHBondContact CA-OH 3.27Å; L181-Y316 HydrophobicContact CB-CD1 4.34Å; L181-Y316 HydrophobicContact CB-CE1 3.59Å; L181-Y316 HydrophobicContact CD1-CD1 3.73Å; L181-Y316 HydrophobicContact CD1-CD2 3.95Å; L181-Y316 HydrophobicContact CD1-CE1 3.75Å; L181-Y316 HydrophobicContact CD1-CE2 3.96Å; L181-Y316 HydrophobicContact CD1-CG 3.86Å; L181-Y316 HydrophobicContact CG-CD1 4.47Å; L181-Y316 HydrophobicContact CG-CE1 4.17Å; L181-Y316 PolarHBondContact N-OH 2.88Å
182	W	98.1	Very high	98	Very high	61 Å²	61	27.9 Å²	27.9	23%	0.231	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-44	174.9	-60.7	124.5	0	0	0	111.8	Y55 W86 T89 P90 I92 I178 P179 L180 A184 N185 I186	Y55-W182 AromaticContact CD2-CH2 3.86Å; Y55-W182 HydrophobicContact CD2-CH2 3.86Å; Y55-W182 HydrophobicContact CD2-CZ2 4.18Å; Y55-W182 AromaticContact CE2-CH2 3.95Å; Y55-W182 HydrophobicContact CE2-CH2 3.95Å; Y55-W182 AromaticContact CE2-CZ2 3.97Å; Y55-W182 HydrophobicContact CE2-CZ2 3.97Å; W86-W182 AromaticContact CH2-CH2 3.76Å; W86-W182 HydrophobicContact CH2-CH2 3.76Å; W86-W182 HydrophobicContact CH2-CZ2 4.13Å; W86-W182 AromaticContact CZ3-CH2 3.91Å; W86-W182 HydrophobicContact CZ3-CH2 3.91Å; W86-W182 HydrophobicContact CZ3-CZ2 4.31Å; T89-W182 HydrophobicContact CG2-CZ2 3.83Å; P90-W182 PolarHBondContact O-NE1 3.22Å; P90-W182 VanDerWaalsContact O-NE1 3.09Å; I92-W182 HydrophobicContact CB-CB 4.34Å; I178-W182 PolarHBondContact O-N 3.31Å; P179-W182 PolarHBondContact O-N 2.7Å; L180-W182 VanDerWaalsContact C-N 3.27Å; L180-W182 PolarHBondContact O-N 2.86Å; W182-A184 VanDerWaalsContact C-N 3.33Å; W182-A184 PolarHBondContact O-N 2.99Å; W182-N185 PolarHBondContact O-N 3.45Å; W182-I186 VanDerWaalsContact O-CG1 3.28Å; W182-I186 WeakPolarHBondContact O-CG1 3.19Å; W182-I186 PolarHBondContact O-N 3.18Å
183	C	98.4	Very high	98	Very high	11 Å²	11	29.8 Å²	29.8	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-42	175.7	-61.3	0	0	0	0	112.2	Y100 P179 L180 I186 L187	Y100-C183 HydrophobicContact CD1-CB 3.59Å; Y100-C183 HydrophobicContact CD2-CB 4.26Å; Y100-C183 HydrophobicContact CE1-CB 4.23Å; Y100-C183 HydrophobicContact CG-CB 3.59Å; P179-C183 PolarHBondContact O-N 3.46Å; P179-C183 PolarHBondContact O-SG 2.84Å; L180-C183 WeakPolarHBondContact O-CB 3.23Å; L180-C183 PolarHBondContact O-N 3.46Å; L180-C183 VanDerWaalsContact O-N 3.15Å; C183-I186 PolarHBondContact O-N 3.23Å; C183-L187 PolarHBondContact O-N 3.3Å
184	A	98	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-42.4	177.4	0	0	0	0	0	112.1	Y100 L180 L181 W182 L187 G188 V312 Y316	Y100-A184 HydrophobicContact CE2-CB 4.15Å; Y100-A184 WeakPolarHBondContact OH-CA 3.46Å; L180-A184 WeakPolarHBondContact O-CB 3.29Å; L180-A184 PolarHBondContact O-N 3.22Å; L181-A184 PolarHBondContact O-N 2.87Å; W182-A184 VanDerWaalsContact C-N 3.33Å; W182-A184 PolarHBondContact O-N 2.99Å; A184-L187 PolarHBondContact O-N 3.39Å; A184-G188 PolarHBondContact O-N 3.43Å; A184-V312 VanDerWaalsContact C-CG2 3.48Å; A184-V312 HydrophobicContact CB-CG2 3.96Å; A184-V312 WeakPolarHBondContact O-CG2 3.31Å; A184-Y316 HydrophobicContact CB-CE2 3.94Å
185	N	97.9	Very high	97.9	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-49	173.3	-86.8	-81	0	0	0	111.5	L181 W182 L187 G188 Y189 W308	L181-N185 WeakPolarHBondContact CD1-ND2 3.43Å; L181-N185 PolarHBondContact O-N 2.85Å; L181-N185 PolarHBondContact O-ND2 3.01Å; W182-N185 PolarHBondContact O-N 3.45Å; N185-L187 VanDerWaalsContact C-N 3.3Å; N185-L187 PolarHBondContact O-N 3.17Å; N185-G188 PolarHBondContact O-N 3.18Å; N185-G188 VanDerWaalsContact O-N 3.17Å; N185-Y189 WeakPolarHBondContact O-CD2 3.38Å; N185-Y189 PolarHBondContact O-N 3.28Å; N185-W308 PolarHBondContact OD1-NE1 2.91Å
186	I	98.1	Very high	97.8	Very high	104 Å²	104	28.2 Å²	28.2	53%	0.533	15%	0.146	S	C	.	.	H	α-helix	trans	-56	-46.8	178	-69.5	164.3	0	0	0	110.4	I92 W182 C183 A190	I92-I186 HydrophobicContact CD1-CD1 4Å; W182-I186 VanDerWaalsContact O-CG1 3.28Å; W182-I186 WeakPolarHBondContact O-CG1 3.19Å; W182-I186 PolarHBondContact O-N 3.18Å; C183-I186 PolarHBondContact O-N 3.23Å; I186-A190 WeakPolarHBondContact O-CB 3.41Å; I186-A190 PolarHBondContact O-N 3.39Å
187	L	97.9	Very high	97.7	Very high	39 Å²	39	30.3 Å²	30.3	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-45.5	177.3	-179.4	63.2	0	0	0	112.1	Y100 V104 C183 A184 N185 Y189 A190 V191 F239	Y100-L187 HydrophobicContact CE1-CB 3.95Å; Y100-L187 HydrophobicContact CE1-CD2 3.67Å; Y100-L187 HydrophobicContact CE1-CG 4.46Å; V104-L187 HydrophobicContact CG1-CD2 4.36Å; V104-L187 HydrophobicContact CG2-CD2 3.79Å; C183-L187 PolarHBondContact O-N 3.3Å; A184-L187 PolarHBondContact O-N 3.39Å; N185-L187 VanDerWaalsContact C-N 3.3Å; N185-L187 PolarHBondContact O-N 3.17Å; L187-Y189 PolarHBondContact O-N 3.05Å; L187-A190 PolarHBondContact O-N 3.43Å; L187-V191 WeakPolarHBondContact O-CB 3.4Å; L187-V191 WeakPolarHBondContact O-CG1 3.21Å; L187-V191 PolarHBondContact O-N 3.23Å; L187-F239 HydrophobicContact CD1-CE1 4.4Å; L187-F239 HydrophobicContact CD1-CZ 4.48Å; L187-F239 HydrophobicContact CD2-CE1 4.01Å; L187-F239 HydrophobicContact CG-CE1 4.12Å
188	G	97.5	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-44.9	179.1	0	0	0	0	0	112.5	A184 N185 V191 S192	A184-G188 PolarHBondContact O-N 3.43Å; N185-G188 PolarHBondContact O-N 3.18Å; N185-G188 VanDerWaalsContact O-N 3.17Å; G188-V191 WeakPolarHBondContact O-CG1 3.44Å; G188-S192 WeakPolarHBondContact O-CB 3.45Å; G188-S192 PolarHBondContact O-N 2.9Å; G188-S192 PolarHBondContact O-OG 3.28Å
189	Y	98	Very high	97.4	Very high	81 Å²	81	29.6 Å²	29.6	32%	0.318	16%	0.156	S	C	.	.	H	α-helix	trans	-69.5	-41.5	173.8	-76.6	-74.1	0	0	0	112.1	P51 N185 L187 S192 T193 Y219 W304 W308	P51-Y189 VanDerWaalsContact CG-OH 3.23Å; P51-Y189 WeakPolarHBondContact CG-OH 3.09Å; N185-Y189 WeakPolarHBondContact O-CD2 3.38Å; N185-Y189 PolarHBondContact O-N 3.28Å; L187-Y189 PolarHBondContact O-N 3.05Å; Y189-S192 PolarHBondContact O-N 3.28Å; Y189-T193 WeakPolarHBondContact O-CB 3.26Å; Y189-T193 PolarHBondContact O-N 3.31Å; Y189-T193 PolarHBondContact O-OG1 2.91Å; Y189-Y219 PolarHBondContact O-OH 3.39Å; Y189-W304 AromaticContact CD1-CD1 3.78Å; Y189-W304 AromaticContact CD1-NE1 3.5Å; Y189-W304 AromaticContact CE1-CD1 3.76Å; Y189-W304 AromaticContact CE1-NE1 3.09Å; Y189-W304 AromaticContact CZ-NE1 3.55Å; Y189-W308 AromaticContact CE2-CD1 3.98Å
190	A	98	Very high	97.2	Very high	53 Å²	53	34.2 Å²	34.2	44%	0.438	17%	0.173	S	C	.	.	H	α-helix	trans	-62.2	-46.6	-179.7	0	0	0	0	0	112.2	I186 L187 S192 T193 F194	I186-A190 WeakPolarHBondContact O-CB 3.41Å; I186-A190 PolarHBondContact O-N 3.39Å; L187-A190 PolarHBondContact O-N 3.43Å; A190-S192 VanDerWaalsContact C-N 3.33Å; A190-S192 PolarHBondContact O-N 2.88Å; A190-T193 PolarHBondContact O-N 2.94Å; A190-F194 VanDerWaalsContact O-CB 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.26Å; A190-F194 PolarHBondContact O-N 3.3Å
191	V	97.2	Very high	97	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-36.9	179.5	74.3	0	0	0	0	111.7	L187 G188 F194 A195 F235 F239 F302	L187-V191 WeakPolarHBondContact O-CB 3.4Å; L187-V191 WeakPolarHBondContact O-CG1 3.21Å; L187-V191 PolarHBondContact O-N 3.23Å; G188-V191 WeakPolarHBondContact O-CG1 3.44Å; V191-F194 PolarHBondContact O-N 3.04Å; V191-A195 WeakPolarHBondContact O-CB 3.43Å; V191-A195 PolarHBondContact O-N 3.46Å; V191-F235 HydrophobicContact CG2-CD1 3.51Å; V191-F235 HydrophobicContact CG2-CE1 3.58Å; V191-F239 HydrophobicContact CB-CE1 4.29Å; V191-F239 HydrophobicContact CB-CE2 4.22Å; V191-F239 HydrophobicContact CB-CZ 3.83Å; V191-F239 HydrophobicContact CG1-CE1 4.21Å; V191-F239 HydrophobicContact CG1-CZ 4.21Å; V191-F239 HydrophobicContact CG2-CD2 3.97Å; V191-F239 HydrophobicContact CG2-CE1 4.16Å; V191-F239 HydrophobicContact CG2-CE2 3.25Å; V191-F239 HydrophobicContact CG2-CZ 3.35Å; V191-F302 HydrophobicContact CG1-CZ 4.46Å; V191-F302 HydrophobicContact CG2-CE1 3.95Å; V191-F302 HydrophobicContact CG2-CZ 4.15Å
192	S	97.4	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-43	-180	-54.9	0	0	0	0	111.4	G188 Y189 A190 A195 M196 W304	G188-S192 WeakPolarHBondContact O-CB 3.45Å; G188-S192 PolarHBondContact O-N 2.9Å; G188-S192 PolarHBondContact O-OG 3.28Å; Y189-S192 PolarHBondContact O-N 3.28Å; A190-S192 VanDerWaalsContact C-N 3.33Å; A190-S192 PolarHBondContact O-N 2.88Å; S192-A195 PolarHBondContact O-N 3.47Å; S192-M196 PolarHBondContact O-N 3.46Å; S192-W304 VanDerWaalsContact OG-CA 3.27Å; S192-W304 WeakPolarHBondContact OG-CA 3.24Å
193	T	97.8	Very high	96.7	Very high	60 Å²	60	45.1 Å²	45.1	37%	0.368	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-43.7	172.4	-59.4	0	0	0	0	111.1	Y189 A190 A195 M196 V197 Y219	Y189-T193 WeakPolarHBondContact O-CB 3.26Å; Y189-T193 PolarHBondContact O-N 3.31Å; Y189-T193 PolarHBondContact O-OG1 2.91Å; A190-T193 PolarHBondContact O-N 2.94Å; T193-A195 PolarHBondContact O-N 2.86Å; T193-M196 PolarHBondContact O-N 3.47Å; T193-V197 HydrophobicContact CG2-CG2 4.4Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.07Å; T193-V197 PolarHBondContact O-N 3.36Å; T193-Y219 WeakPolarHBondContact OG1-CE2 3.15Å; T193-Y219 PolarHBondContact OG1-OH 3.24Å; T193-Y219 VanDerWaalsContact OG1-OH 3.12Å
194	F	97.5	Very high	96.3	Very high	72 Å²	72	48.2 Å²	48.2	32%	0.316	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-46.8	174.2	174.2	-94.5	0	0	0	111.6	A190 V191 M196 V197 K198 F202 I229 F235	A190-F194 VanDerWaalsContact O-CB 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.26Å; A190-F194 PolarHBondContact O-N 3.3Å; V191-F194 PolarHBondContact O-N 3.04Å; F194-M196 VanDerWaalsContact C-N 3.32Å; F194-M196 PolarHBondContact O-N 2.94Å; F194-V197 PolarHBondContact O-N 2.99Å; F194-K198 HydrophobicContact CE1-CB 4.4Å; F194-K198 HydrophobicContact CE1-CD 4Å; F194-K198 HydrophobicContact CZ-CD 4.33Å; F194-K198 WeakPolarHBondContact O-CB 3.23Å; F194-K198 PolarHBondContact O-N 3.27Å; F194-F202 HydrophobicContact CE2-CE2 4.08Å; F194-F202 HydrophobicContact CE2-CZ 4.19Å; F194-F202 HydrophobicContact CZ-CE2 4.03Å; F194-I229 HydrophobicContact CE1-CD1 4.45Å; F194-I229 HydrophobicContact CZ-CD1 4.34Å; F194-F235 AromaticContact CD1-CE1 3.73Å; F194-F235 HydrophobicContact CD1-CE1 3.73Å; F194-F235 AromaticContact CD1-CZ 3.7Å; F194-F235 HydrophobicContact CD1-CZ 3.7Å; F194-F235 AromaticContact CE1-CE1 3.86Å; F194-F235 HydrophobicContact CE1-CE1 3.86Å; F194-F235 HydrophobicContact CE1-CE2 4.05Å; F194-F235 AromaticContact CE1-CZ 3.31Å; F194-F235 HydrophobicContact CE1-CZ 3.31Å; F194-F235 HydrophobicContact CZ-CZ 4.33Å
195	A	96.8	Very high	95.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-38.9	178.6	0	0	0	0	0	112.4	V191 S192 T193 G199 P227 F302	V191-A195 WeakPolarHBondContact O-CB 3.43Å; V191-A195 PolarHBondContact O-N 3.46Å; S192-A195 PolarHBondContact O-N 3.47Å; T193-A195 PolarHBondContact O-N 2.86Å; A195-G199 PolarHBondContact O-N 2.92Å; A195-P227 HydrophobicContact CB-CG 4.5Å; A195-F302 HydrophobicContact CB-CD1 3.7Å; A195-F302 HydrophobicContact CB-CE1 4.08Å
196	M	96.2	Very high	95.4	Very high	21 Å²	21	52.4 Å²	52.4	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-50.3	174.9	-173.4	177.5	68.2	0	0	111.6	S192 T193 F194 K198 G199 Y200 F215 Y219 I223	S192-M196 PolarHBondContact O-N 3.46Å; T193-M196 PolarHBondContact O-N 3.47Å; F194-M196 VanDerWaalsContact C-N 3.32Å; F194-M196 PolarHBondContact O-N 2.94Å; M196-K198 VanDerWaalsContact C-N 3.32Å; M196-K198 PolarHBondContact O-N 2.94Å; M196-G199 PolarHBondContact O-N 2.76Å; M196-G199 VanDerWaalsContact O-N 3.15Å; M196-Y200 HydrophobicContact CG-CD2 4.1Å; M196-Y200 HydrophobicContact CG-CE2 3.92Å; M196-Y200 VanDerWaalsContact O-CD2 3.3Å; M196-Y200 WeakPolarHBondContact O-CD2 3.32Å; M196-Y200 PolarHBondContact O-N 3.5Å; M196-F215 HydrophobicContact CE-CD2 4.4Å; M196-F215 HydrophobicContact CE-CE2 3.4Å; M196-F215 VanDerWaalsContact CE-CE2 3.4Å; M196-F215 HydrophobicContact CE-CZ 3.68Å; M196-F215 HydrophobicContact SD-CD2 4.28Å; M196-F215 HydrophobicContact SD-CE2 3.79Å; M196-F215 HydrophobicContact SD-CZ 4.24Å; M196-Y219 HydrophobicContact CB-CD2 4.37Å; M196-Y219 HydrophobicContact CE-CD2 3.85Å; M196-Y219 HydrophobicContact CE-CE2 4.43Å; M196-Y219 HydrophobicContact SD-CD2 3.67Å; M196-Y219 HydrophobicContact SD-CG 4.33Å; M196-I223 HydrophobicContact CG-CD1 3.82Å
197	V	96.5	Very high	94.9	Very high	56 Å²	56	56.3 Å²	56.3	34%	0.339	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-47.3	177.2	170.1	0	0	0	0	110.2	T193 F194 G199 Y200 F201 F202	T193-V197 HydrophobicContact CG2-CG2 4.4Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.07Å; T193-V197 PolarHBondContact O-N 3.36Å; F194-V197 PolarHBondContact O-N 2.99Å; V197-G199 VanDerWaalsContact C-N 3.33Å; V197-G199 PolarHBondContact O-N 3.28Å; V197-Y200 PolarHBondContact O-N 3.47Å; V197-Y200 VanDerWaalsContact O-N 3.13Å; V197-F201 HydrophobicContact CG1-CD2 3.73Å; V197-F201 HydrophobicContact CG1-CE2 4.18Å; V197-F201 VanDerWaalsContact O-CD2 3.22Å; V197-F201 WeakPolarHBondContact O-CD2 3.36Å; V197-F201 PolarHBondContact O-N 2.93Å; V197-F202 HydrophobicContact CG1-CE1 4.09Å; V197-F202 HydrophobicContact CG1-CZ 4.25Å
198	K	95.8	Very high	94.5	Very high	6 Å²	6	55 Å²	55	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-55.3	-47.3	174.8	176.9	175.7	-172.4	-41.7	0	112	F194 M196 Y200 F201 F202 P203 T204 E224 P227 R228	F194-K198 HydrophobicContact CE1-CB 4.4Å; F194-K198 HydrophobicContact CE1-CD 4Å; F194-K198 HydrophobicContact CZ-CD 4.33Å; F194-K198 WeakPolarHBondContact O-CB 3.23Å; F194-K198 PolarHBondContact O-N 3.27Å; M196-K198 VanDerWaalsContact C-N 3.32Å; M196-K198 PolarHBondContact O-N 2.94Å; K198-Y200 PolarHBondContact O-N 2.85Å; K198-F201 PolarHBondContact O-N 3.3Å; K198-F202 VanDerWaalsContact CA-CE2 3.49Å; K198-F202 HydrophobicContact CB-CD2 3.87Å; K198-F202 HydrophobicContact CB-CE2 3.38Å; K198-F202 HydrophobicContact CB-CZ 3.85Å; K198-F202 HydrophobicContact CD-CD2 4.23Å; K198-F202 HydrophobicContact CD-CE2 4.12Å; K198-F202 HydrophobicContact CG-CD2 3.47Å; K198-F202 VanDerWaalsContact CG-CD2 3.47Å; K198-F202 HydrophobicContact CG-CE2 3.47Å; K198-F202 VanDerWaalsContact CG-CE2 3.47Å; K198-F202 HydrophobicContact CG-CG 4.38Å; K198-F202 HydrophobicContact CG-CZ 4.38Å; K198-F202 WeakPolarHBondContact CG-O 3.38Å; K198-F202 PolarHBondContact NZ-O 2.78Å; K198-F202 CarbonylContact O-C 3.35Å; K198-F202 WeakPolarHBondContact O-CA 3.46Å; K198-F202 PolarHBondContact O-N 3.1Å; K198-P203 VanDerWaalsContact O-N 3.07Å; K198-T204 PolarHBondContact NZ-OG1 2.98Å; K198-E224 WeakPolarHBondContact CD-OE2 3.39Å; K198-E224 WeakPolarHBondContact CG-OE2 3.43Å; K198-E224 IonicContact NZ-OE1 2.69Å; K198-E224 PolarHBondContact NZ-OE1 3.49Å; K198-E224 IonicContact NZ-OE2 3.78Å; K198-E224 PolarHBondContact NZ-OE2 2.89Å; K198-P227 HydrophobicContact CD-CB 4.04Å; K198-R228 WeakPolarHBondContact CE-O 3.41Å
199	G	94.4	Very high	94.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-31.2	178.9	0	0	0	0	0	113.8	A195 M196 V197	A195-G199 PolarHBondContact O-N 2.92Å; M196-G199 PolarHBondContact O-N 2.76Å; M196-G199 VanDerWaalsContact O-N 3.15Å; V197-G199 VanDerWaalsContact C-N 3.33Å; V197-G199 PolarHBondContact O-N 3.28Å
200	Y	93.6	Very high	93.8	Very high	109 Å²	109	52.4 Å²	52.4	43%	0.427	27%	0.274	S	S	.	.	H	α-helix	trans	-82.6	-41.3	176.7	-82.5	-73.8	0	0	0	113.9	M196 V197 K198 F211 N218 I223	M196-Y200 HydrophobicContact CG-CD2 4.1Å; M196-Y200 HydrophobicContact CG-CE2 3.92Å; M196-Y200 VanDerWaalsContact O-CD2 3.3Å; M196-Y200 WeakPolarHBondContact O-CD2 3.32Å; M196-Y200 PolarHBondContact O-N 3.5Å; V197-Y200 PolarHBondContact O-N 3.47Å; V197-Y200 VanDerWaalsContact O-N 3.13Å; K198-Y200 PolarHBondContact O-N 2.85Å; Y200-F211 HydrophobicContact CD1-CD1 4.31Å; Y200-F211 AromaticContact CD1-CE1 3.58Å; Y200-F211 HydrophobicContact CD1-CE1 3.58Å; Y200-F211 HydrophobicContact CD1-CZ 4.43Å; Y200-F211 AromaticContact CE1-CD1 3.66Å; Y200-F211 HydrophobicContact CE1-CD1 3.66Å; Y200-F211 AromaticContact CE1-CE1 3.4Å; Y200-F211 HydrophobicContact CE1-CE1 3.4Å; Y200-F211 VanDerWaalsContact CE1-CE1 3.4Å; Y200-F211 HydrophobicContact CE2-CE1 4.48Å; Y200-F211 HydrophobicContact CG-CE1 4.19Å; Y200-F211 AromaticContact CZ-CD1 3.92Å; Y200-F211 AromaticContact CZ-CE1 3.88Å; Y200-N218 PolarHBondContact OH-ND2 3.49Å; Y200-I223 HydrophobicContact CD2-CD1 3.55Å; Y200-I223 HydrophobicContact CE1-CD1 4.41Å; Y200-I223 HydrophobicContact CE2-CD1 3.06Å; Y200-I223 HydrophobicContact CG-CD1 4.38Å
201	F	94.8	Very high	93.5	Very high	162 Å²	162	53.8 Å²	53.8	71%	0.711	27%	0.27	S	S	*	.	H	α-helix	trans	-108	-31.8	-166.9	-64.2	-72.7	0	0	0	114.4	V197 K198	V197-F201 HydrophobicContact CG1-CD2 3.73Å; V197-F201 HydrophobicContact CG1-CE2 4.18Å; V197-F201 VanDerWaalsContact O-CD2 3.22Å; V197-F201 WeakPolarHBondContact O-CD2 3.36Å; V197-F201 PolarHBondContact O-N 2.93Å; K198-F201 PolarHBondContact O-N 3.3Å
202	F	94.9	Very high	93	Very high	101 Å²	101	54.4 Å²	54.4	44%	0.443	27%	0.274	S	S	.	.	S	Bend	trans	-147.4	57.9	-174.7	45.7	-85.4	0	0	0	111.8	F194 V197 K198	F194-F202 HydrophobicContact CE2-CE2 4.08Å; F194-F202 HydrophobicContact CE2-CZ 4.19Å; F194-F202 HydrophobicContact CZ-CE2 4.03Å; V197-F202 HydrophobicContact CG1-CE1 4.09Å; V197-F202 HydrophobicContact CG1-CZ 4.25Å; K198-F202 VanDerWaalsContact CA-CE2 3.49Å; K198-F202 HydrophobicContact CB-CD2 3.87Å; K198-F202 HydrophobicContact CB-CE2 3.38Å; K198-F202 HydrophobicContact CB-CZ 3.85Å; K198-F202 HydrophobicContact CD-CD2 4.23Å; K198-F202 HydrophobicContact CD-CE2 4.12Å; K198-F202 HydrophobicContact CG-CD2 3.47Å; K198-F202 VanDerWaalsContact CG-CD2 3.47Å; K198-F202 HydrophobicContact CG-CE2 3.47Å; K198-F202 VanDerWaalsContact CG-CE2 3.47Å; K198-F202 HydrophobicContact CG-CG 4.38Å; K198-F202 HydrophobicContact CG-CZ 4.38Å; K198-F202 WeakPolarHBondContact CG-O 3.38Å; K198-F202 PolarHBondContact NZ-O 2.78Å; K198-F202 CarbonylContact O-C 3.35Å; K198-F202 WeakPolarHBondContact O-CA 3.46Å; K198-F202 PolarHBondContact O-N 3.1Å
203	P	93.3	Very high	92.5	Very high	44 Å²	44	58.4 Å²	58.4	29%	0.286	32%	0.316	S	S	.	.			trans	-66	144.1	177.9	29.7	-35.8	0	0	0	110.6	K198 S205 A206 C209	K198-P203 VanDerWaalsContact O-N 3.07Å; P203-S205 PolarHBondContact O-N 3.36Å; P203-A206 HydrophobicContact CG-CB 4.35Å; P203-C209 WeakPolarHBondContact CB-SG 3.32Å
204	T	91.2	Very high	92.2	Very high	75 Å²	75	57.2 Å²	57.2	46%	0.46	31%	0.307	S	S	.	.	S	Bend	trans	-64.6	-35.6	176.4	-62.9	0	0	0	0	110.4	K198 E224 R228	K198-T204 PolarHBondContact NZ-OG1 2.98Å; T204-E224 WeakPolarHBondContact CA-OE1 3.39Å; T204-E224 WeakPolarHBondContact CB-OE1 3.39Å; T204-E224 PolarHBondContact N-OE1 3.2Å; T204-E224 PolarHBondContact OG1-OE1 3.4Å; T204-E224 VanDerWaalsContact OG1-OE1 3.05Å; T204-R228 HydrophobicContact CG2-CB 4.31Å; T204-R228 PolarHBondContact OG1-N 3.09Å; T204-R228 PolarHBondContact OG1-O 2.94Å
205	S	88.8	Confident	92.1	Very high	29 Å²	29	59.2 Å²	59.2	20%	0.203	32%	0.316	C	S	.	.			trans	-146	116.9	170.5	166.9	0	0	0	0	108.9	A137 P203 R207 D208	A137-S205 WeakPolarHBondContact CB-OG 3.41Å; P203-S205 PolarHBondContact O-N 3.36Å; S205-R207 PolarHBondContact O-N 3.35Å; S205-D208 PolarHBondContact O-N 2.92Å; S205-D208 PolarHBondContact OG-OD2 3.34Å
206	A	88	Confident	92	Very high	78 Å²	78	64 Å²	64	65%	0.645	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-62.6	-26.5	178.8	0	0	0	0	0	112.7	P203 D208 C209	P203-A206 HydrophobicContact CG-CB 4.35Å; A206-D208 PolarHBondContact O-N 3.23Å; A206-C209 PolarHBondContact O-N 3.37Å
207	R	87.5	Confident	92	Very high	187 Å²	187	63.8 Å²	63.8	71%	0.706	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-73.8	-16.5	176	-68	-172.2	-65.7	166.4	3.6	113.2	A137 S205	A137-R207 HydrophobicContact CB-CB 3.6Å; A137-R207 PolarHBondContact O-NH2 3.23Å; S205-R207 PolarHBondContact O-N 3.35Å
208	D	89.1	Confident	91.9	Very high	12 Å²	12	61.2 Å²	61.2	6%	0.064	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-100.6	18.4	175.6	-75.1	-34.2	0	0	0	111.9	T135 P136 A137 S205 A206 F225	T135-D208 WeakPolarHBondContact CB-OD2 3.31Å; T135-D208 PolarHBondContact OG1-OD1 3.3Å; T135-D208 PolarHBondContact OG1-OD2 2.9Å; P136-D208 WeakPolarHBondContact CD-OD1 3.29Å; A137-D208 HydrophobicContact CB-CB 4.5Å; A137-D208 VanDerWaalsContact CB-OD1 3.23Å; A137-D208 WeakPolarHBondContact CB-OD1 3.48Å; A137-D208 VanDerWaalsContact CB-OD2 3.26Å; A137-D208 WeakPolarHBondContact CB-OD2 3.21Å; A137-D208 PolarHBondContact N-OD1 2.93Å; S205-D208 PolarHBondContact O-N 2.92Å; S205-D208 PolarHBondContact OG-OD2 3.34Å; A206-D208 PolarHBondContact O-N 3.23Å; D208-F225 HydrophobicContact CB-CB 4.05Å; D208-F225 WeakPolarHBondContact O-CB 3.38Å; D208-F225 PolarHBondContact O-N 3.44Å
209	C	91.4	Very high	91.9	Very high	17 Å²	17	62.1 Å²	62.1	12%	0.115	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-106.8	143.2	174	-72.6	0	0	0	0	111.8	P203 A206 F211 I223	P203-C209 WeakPolarHBondContact CB-SG 3.32Å; A206-C209 PolarHBondContact O-N 3.37Å; C209-F211 HydrophobicContact CB-CE2 3.74Å; C209-F211 HydrophobicContact CB-CZ 4.16Å; C209-I223 CarbonylContact C-O 3.06Å; C209-I223 VanDerWaalsContact CA-O 3.28Å; C209-I223 WeakPolarHBondContact CA-O 3.38Å; C209-I223 HydrophobicContact CB-CG2 4.09Å
210	K	90	Very high	92	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.035	32%	0.323	C	S	.	.			trans	-134	122.2	178	-173.9	159.9	172.8	164.4	0	112.4	W29 R31 A32 W33 I223	W29-K210 PolarHBondContact O-NZ 3.03Å; R31-K210 HydrophobicContact CG-CB 4.45Å; R31-K210 HydrophobicContact CG-CD 3.87Å; R31-K210 HydrophobicContact CG-CG 4.21Å; R31-K210 PolarHBondContact NE-O 2.86Å; R31-K210 WeakPolarHBondContact O-CE 3.28Å; R31-K210 PolarHBondContact O-NZ 3.41Å; A32-K210 WeakPolarHBondContact O-CE 3.41Å; W33-K210 HydrophobicContact CE3-CD 4.09Å; W33-K210 HydrophobicContact CE3-CG 4.02Å; W33-K210 HydrophobicContact CZ3-CG 4.13Å; K210-I223 PolarHBondContact N-O 2.82Å
211	F	90.9	Very high	92	Very high	82 Å²	82	58.8 Å²	58.8	36%	0.36	31%	0.311	S	S	.	.			trans	-115.5	137.1	-177.7	-56.6	-91.3	0	0	0	110.3	Y200 C209 I223	Y200-F211 HydrophobicContact CD1-CD1 4.31Å; Y200-F211 AromaticContact CD1-CE1 3.58Å; Y200-F211 HydrophobicContact CD1-CE1 3.58Å; Y200-F211 HydrophobicContact CD1-CZ 4.43Å; Y200-F211 AromaticContact CE1-CD1 3.66Å; Y200-F211 HydrophobicContact CE1-CD1 3.66Å; Y200-F211 AromaticContact CE1-CE1 3.4Å; Y200-F211 HydrophobicContact CE1-CE1 3.4Å; Y200-F211 VanDerWaalsContact CE1-CE1 3.4Å; Y200-F211 HydrophobicContact CE2-CE1 4.48Å; Y200-F211 HydrophobicContact CG-CE1 4.19Å; Y200-F211 AromaticContact CZ-CD1 3.92Å; Y200-F211 AromaticContact CZ-CE1 3.88Å; C209-F211 HydrophobicContact CB-CE2 3.74Å; C209-F211 HydrophobicContact CB-CZ 4.16Å; F211-I223 HydrophobicContact CD1-CD1 4.08Å; F211-I223 HydrophobicContact CD1-CG1 4.37Å; F211-I223 HydrophobicContact CD1-CG2 3.8Å; F211-I223 HydrophobicContact CD2-CG2 4.5Å; F211-I223 HydrophobicContact CE1-CB 4.46Å; F211-I223 HydrophobicContact CE1-CD1 3.9Å; F211-I223 HydrophobicContact CE1-CG1 4.39Å; F211-I223 HydrophobicContact CE1-CG2 3.31Å; F211-I223 HydrophobicContact CE2-CG2 4.07Å; F211-I223 HydrophobicContact CG-CG2 4.38Å; F211-I223 HydrophobicContact CZ-CG2 3.46Å; F211-I223 VanDerWaalsContact CZ-CG2 3.46Å
212	T	87.8	Confident	92	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.135	28%	0.278	C	S	.	.			trans	-120.8	15.5	-176.7	66.4	0	0	0	0	113.5	R31 A32 W33 V35 N214 Y217 N218	R31-T212 PolarHBondContact NH2-OG1 2.88Å; A32-T212 WeakPolarHBondContact O-CG2 3.38Å; W33-T212 WeakPolarHBondContact O-CB 3.32Å; W33-T212 VanDerWaalsContact O-CG2 3.31Å; W33-T212 WeakPolarHBondContact O-CG2 3.36Å; V35-T212 HydrophobicContact CG2-CG2 4.32Å; V35-T212 WeakPolarHBondContact CG2-OG1 3.48Å; T212-N214 PolarHBondContact O-N 3.29Å; T212-Y217 HydrophobicContact CG2-CD1 3.92Å; T212-Y217 HydrophobicContact CG2-CE1 3.98Å; T212-Y217 WeakPolarHBondContact OG1-CD1 3.34Å; T212-N218 PolarHBondContact N-OD1 3.5Å; T212-N218 PolarHBondContact OG1-OD1 3.48Å
213	G	85.6	Confident	92	Very high	84 Å²	84	46.4 Å²	46.4	87%	0.866	26%	0.257	S	S	*	.	S	Bend	trans	66.9	-16.3	-174.9	0	0	0	0	0	115.7
214	N	92.6	Very high	92	Very high	35 Å²	35	44.5 Å²	44.5	19%	0.187	24%	0.244	C	C	.	.			trans	-98.1	117.2	-178.9	-173	-68.6	0	0	0	111.6	V35 L40 T212 F216 Y217 N218	V35-N214 HydrophobicContact CB-CB 4.42Å; V35-N214 HydrophobicContact CG2-CB 4.1Å; L40-N214 VanDerWaalsContact CD1-ND2 3.27Å; L40-N214 WeakPolarHBondContact CD1-ND2 3.41Å; L40-N214 WeakPolarHBondContact CD1-OD1 3.36Å; L40-N214 WeakPolarHBondContact CD2-ND2 3.4Å; T212-N214 PolarHBondContact O-N 3.29Å; N214-F216 PolarHBondContact OD1-N 2.75Å; N214-F216 VanDerWaalsContact OD1-N 3.1Å; N214-Y217 PolarHBondContact OD1-N 2.93Å; N214-N218 WeakPolarHBondContact O-CB 3.3Å; N214-N218 VanDerWaalsContact O-CG 3.27Å; N214-N218 PolarHBondContact O-N 2.88Å; N214-N218 PolarHBondContact O-ND2 3.23Å
215	F	94.3	Very high	92.1	Very high	114 Å²	114	41.1 Å²	41.1	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-51	-178.7	177.4	-93.6	0	0	0	113	M196 Y217 N218 Y219	M196-F215 HydrophobicContact CE-CD2 4.4Å; M196-F215 HydrophobicContact CE-CE2 3.4Å; M196-F215 VanDerWaalsContact CE-CE2 3.4Å; M196-F215 HydrophobicContact CE-CZ 3.68Å; M196-F215 HydrophobicContact SD-CD2 4.28Å; M196-F215 HydrophobicContact SD-CE2 3.79Å; M196-F215 HydrophobicContact SD-CZ 4.24Å; F215-Y217 PolarHBondContact O-N 3.47Å; F215-N218 PolarHBondContact O-N 2.97Å; F215-Y219 WeakPolarHBondContact O-CB 3.44Å; F215-Y219 PolarHBondContact O-N 3.32Å
216	F	95.8	Very high	92.4	Very high	100 Å²	100	40.4 Å²	40.4	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-42	-176.5	-64.9	-72.3	0	0	0	111.9	L40 V43 I44 L47 N214 Y219 M220	L40-F216 HydrophobicContact CD1-CB 4.08Å; L40-F216 HydrophobicContact CD1-CD2 4.44Å; V43-F216 HydrophobicContact CG1-CB 4.17Å; V43-F216 WeakPolarHBondContact CG1-O 3.33Å; I44-F216 HydrophobicContact CD1-CD2 4.32Å; I44-F216 HydrophobicContact CG1-CB 4.38Å; I44-F216 HydrophobicContact CG1-CD2 4.39Å; I44-F216 HydrophobicContact CG1-CG 4.21Å; L47-F216 HydrophobicContact CD1-CB 4.42Å; L47-F216 HydrophobicContact CD1-CD1 4.17Å; N214-F216 PolarHBondContact OD1-N 2.75Å; N214-F216 VanDerWaalsContact OD1-N 3.1Å; F216-Y219 PolarHBondContact O-N 2.68Å; F216-M220 VanDerWaalsContact O-CB 3.31Å; F216-M220 WeakPolarHBondContact O-CB 3.32Å; F216-M220 PolarHBondContact O-N 3.43Å
217	Y	94.8	Very high	92.7	Very high	18 Å²	18	36.7 Å²	36.7	7%	0.071	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-41.6	177.6	-169.6	-103.6	0	0	0	112.1	R31 A32 V35 V43 T212 N214 F215 M221	R31-Y217 VanDerWaalsContact CZ-CE1 3.47Å; R31-Y217 PolarHBondContact NH1-O 3.4Å; R31-Y217 VanDerWaalsContact NH2-CD1 3.3Å; A32-Y217 HydrophobicContact CB-CE1 4.18Å; A32-Y217 WeakPolarHBondContact CB-OH 3.37Å; A32-Y217 PolarHBondContact N-OH 2.83Å; A32-Y217 VanDerWaalsContact N-OH 3.15Å; V35-Y217 HydrophobicContact CB-CG 4.34Å; V35-Y217 HydrophobicContact CG1-CD2 3.85Å; V35-Y217 HydrophobicContact CG1-CG 3.9Å; V35-Y217 HydrophobicContact CG2-CD1 3.25Å; V35-Y217 HydrophobicContact CG2-CD2 4.08Å; V35-Y217 HydrophobicContact CG2-CE1 3.81Å; V35-Y217 HydrophobicContact CG2-CG 3.44Å; V35-Y217 VanDerWaalsContact CG2-CG 3.44Å; V43-Y217 HydrophobicContact CG2-CD2 3.78Å; V43-Y217 HydrophobicContact CG2-CE2 4.32Å; T212-Y217 HydrophobicContact CG2-CD1 3.92Å; T212-Y217 HydrophobicContact CG2-CE1 3.98Å; T212-Y217 WeakPolarHBondContact OG1-CD1 3.34Å; N214-Y217 PolarHBondContact OD1-N 2.93Å; F215-Y217 PolarHBondContact O-N 3.47Å; Y217-M221 HydrophobicContact CD2-CG 4.21Å; Y217-M221 HydrophobicContact CE2-CG 3.82Å; Y217-M221 WeakPolarHBondContact O-CB 3.31Å; Y217-M221 PolarHBondContact O-N 2.85Å
218	N	95.2	Very high	93.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-42.6	172.9	-76.6	-16.3	0	0	0	111.6	R31 Y200 T212 N214 F215 G222 I223	R31-N218 PolarHBondContact NH2-OD1 2.8Å; Y200-N218 PolarHBondContact OH-ND2 3.49Å; T212-N218 PolarHBondContact N-OD1 3.5Å; T212-N218 PolarHBondContact OG1-OD1 3.48Å; N214-N218 WeakPolarHBondContact O-CB 3.3Å; N214-N218 VanDerWaalsContact O-CG 3.27Å; N214-N218 PolarHBondContact O-N 2.88Å; N214-N218 PolarHBondContact O-ND2 3.23Å; F215-N218 PolarHBondContact O-N 2.97Å; N218-G222 CarbonylContact O-C 3.47Å; N218-G222 VanDerWaalsContact O-CA 3.24Å; N218-G222 WeakPolarHBondContact O-CA 3.35Å; N218-G222 PolarHBondContact O-N 2.9Å; N218-I223 HydrophobicContact CB-CD1 4.07Å; N218-I223 HydrophobicContact CB-CG1 3.84Å
219	Y	96.7	Very high	93.3	Very high	25 Å²	25	32.3 Å²	32.3	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-48	179.2	-173.7	-105.7	0	0	0	112	L47 Y189 T193 M196 F215 F216 W304	L47-Y219 HydrophobicContact CD2-CD1 4.07Å; L47-Y219 HydrophobicContact CD2-CE1 4.28Å; Y189-Y219 PolarHBondContact O-OH 3.39Å; T193-Y219 WeakPolarHBondContact OG1-CE2 3.15Å; T193-Y219 PolarHBondContact OG1-OH 3.24Å; T193-Y219 VanDerWaalsContact OG1-OH 3.12Å; M196-Y219 HydrophobicContact CB-CD2 4.37Å; M196-Y219 HydrophobicContact CE-CD2 3.85Å; M196-Y219 HydrophobicContact CE-CE2 4.43Å; M196-Y219 HydrophobicContact SD-CD2 3.67Å; M196-Y219 HydrophobicContact SD-CG 4.33Å; F215-Y219 WeakPolarHBondContact O-CB 3.44Å; F215-Y219 PolarHBondContact O-N 3.32Å; F216-Y219 PolarHBondContact O-N 2.68Å; Y219-W304 HydrophobicContact CD1-CB 3.95Å; Y219-W304 HydrophobicContact CD1-CG 4.36Å; Y219-W304 HydrophobicContact CE1-CB 3.76Å; Y219-W304 AromaticContact CE1-CD1 3.54Å; Y219-W304 AromaticContact CE1-CG 3.83Å; Y219-W304 HydrophobicContact CE1-CG 3.83Å; Y219-W304 PolarHBondContact O-N 2.67Å
220	M	95.4	Very high	93.3	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.03	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-53.8	-179.4	179.1	70.3	179.3	0	0	112.3	V43 L46 L47 F216 G303 W304 Y305	V43-M220 HydrophobicContact CB-CB 4.45Å; V43-M220 HydrophobicContact CB-CG 4.4Å; V43-M220 HydrophobicContact CG1-CB 3.47Å; V43-M220 VanDerWaalsContact CG1-CB 3.47Å; V43-M220 HydrophobicContact CG1-CG 3.83Å; V43-M220 HydrophobicContact CG2-CB 4.18Å; V43-M220 HydrophobicContact CG2-CG 3.91Å; L46-M220 HydrophobicContact CB-CE 3.95Å; L46-M220 HydrophobicContact CD1-CE 3.85Å; L47-M220 HydrophobicContact CD2-SD 3.91Å; L47-M220 HydrophobicContact CG-SD 4.11Å; F216-M220 VanDerWaalsContact O-CB 3.31Å; F216-M220 WeakPolarHBondContact O-CB 3.32Å; F216-M220 PolarHBondContact O-N 3.43Å; M220-G303 CarbonylContact O-C 3.18Å; M220-W304 HydrophobicContact CE-CE3 4.03Å; M220-W304 HydrophobicContact CE-CZ3 3.98Å; M220-W304 PolarHBondContact O-N 3.46Å; M220-W304 VanDerWaalsContact O-N 3.09Å; M220-W304 HydrophobicContact SD-CD2 4.33Å; M220-W304 HydrophobicContact SD-CE3 3.32Å; M220-W304 HydrophobicContact SD-CZ3 3.74Å; M220-Y305 HydrophobicContact CE-CD2 3.98Å; M220-Y305 HydrophobicContact CE-CG 4.42Å; M220-Y305 WeakPolarHBondContact O-CB 3.24Å; M220-Y305 PolarHBondContact O-N 3.14Å
221	M	94.1	Very high	93.2	Very high	34 Å²	34	40.7 Å²	40.7	17%	0.167	23%	0.228	C	C	.	.	H	α-helix	trans	-94.8	-11.8	-168.3	-65.6	-58.5	-59.8	0	0	113.2	Y217 H301	Y217-M221 HydrophobicContact CD2-CG 4.21Å; Y217-M221 HydrophobicContact CE2-CG 3.82Å; Y217-M221 WeakPolarHBondContact O-CB 3.31Å; Y217-M221 PolarHBondContact O-N 2.85Å; M221-H301 CarbonylContact O-C 3.45Å; M221-H301 VanDerWaalsContact O-CB 3.24Å; M221-H301 WeakPolarHBondContact O-CB 3.27Å
222	G	95.2	Very high	93.2	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	23%	0.231	C	C	.	.			trans	88.3	147.1	179.5	0	0	0	0	0	113.5	R31 N218 F302 G303	R31-G222 WeakPolarHBondContact CD-O 3.32Å; R31-G222 PolarHBondContact NE-O 3.3Å; N218-G222 CarbonylContact O-C 3.47Å; N218-G222 VanDerWaalsContact O-CA 3.24Å; N218-G222 WeakPolarHBondContact O-CA 3.35Å; N218-G222 PolarHBondContact O-N 2.9Å; G222-F302 VanDerWaalsContact CA-O 3.28Å; G222-F302 WeakPolarHBondContact CA-O 3.28Å; G222-G303 VanDerWaalsContact CA-CA 3.49Å
223	I	94.3	Very high	93.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.23	C	C	.	.	S	Bend	trans	-95.5	-47.1	177.3	-67.3	172.5	0	0	0	110.6	M196 Y200 C209 K210 F211 N218 H301	M196-I223 HydrophobicContact CG-CD1 3.82Å; Y200-I223 HydrophobicContact CD2-CD1 3.55Å; Y200-I223 HydrophobicContact CE1-CD1 4.41Å; Y200-I223 HydrophobicContact CE2-CD1 3.06Å; Y200-I223 HydrophobicContact CG-CD1 4.38Å; C209-I223 CarbonylContact C-O 3.06Å; C209-I223 VanDerWaalsContact CA-O 3.28Å; C209-I223 WeakPolarHBondContact CA-O 3.38Å; C209-I223 HydrophobicContact CB-CG2 4.09Å; K210-I223 PolarHBondContact N-O 2.82Å; F211-I223 HydrophobicContact CD1-CD1 4.08Å; F211-I223 HydrophobicContact CD1-CG1 4.37Å; F211-I223 HydrophobicContact CD1-CG2 3.8Å; F211-I223 HydrophobicContact CD2-CG2 4.5Å; F211-I223 HydrophobicContact CE1-CB 4.46Å; F211-I223 HydrophobicContact CE1-CD1 3.9Å; F211-I223 HydrophobicContact CE1-CG1 4.39Å; F211-I223 HydrophobicContact CE1-CG2 3.31Å; F211-I223 HydrophobicContact CE2-CG2 4.07Å; F211-I223 HydrophobicContact CG-CG2 4.38Å; F211-I223 HydrophobicContact CZ-CG2 3.46Å; F211-I223 VanDerWaalsContact CZ-CG2 3.46Å; N218-I223 HydrophobicContact CB-CD1 4.07Å; N218-I223 HydrophobicContact CB-CG1 3.84Å; I223-H301 PolarHBondContact O-CD2 2.93Å; I223-H301 VanDerWaalsContact O-CD2 3.28Å
224	E	94.1	Very high	94.1	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.014	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-88.1	133.4	-178.4	-174.6	171.1	-170.7	0	0	109.8	K198 T204 P227 F302	K198-E224 WeakPolarHBondContact CD-OE2 3.39Å; K198-E224 WeakPolarHBondContact CG-OE2 3.43Å; K198-E224 IonicContact NZ-OE1 2.69Å; K198-E224 PolarHBondContact NZ-OE1 3.49Å; K198-E224 IonicContact NZ-OE2 3.78Å; K198-E224 PolarHBondContact NZ-OE2 2.89Å; T204-E224 WeakPolarHBondContact CA-OE1 3.39Å; T204-E224 WeakPolarHBondContact CB-OE1 3.39Å; T204-E224 PolarHBondContact N-OE1 3.2Å; T204-E224 PolarHBondContact OG1-OE1 3.4Å; T204-E224 VanDerWaalsContact OG1-OE1 3.05Å; E224-P227 HydrophobicContact CB-CB 4.45Å; E224-P227 VanDerWaalsContact CD-CA 3.44Å; E224-P227 HydrophobicContact CG-CB 4.23Å; E224-P227 WeakPolarHBondContact OE2-CB 3.36Å; E224-F302 PolarHBondContact O-N 3.34Å
225	F	93.3	Very high	94.3	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.022	18%	0.182	C	C	.	.	S	Bend	trans	-65.2	-54.1	-176.6	179.6	-132	0	0	0	112	W29 T135 D208 K236 I297 C298 D300 H301	W29-F225 HydrophobicContact CH2-CB 4.21Å; W29-F225 HydrophobicContact CH2-CG 4.47Å; W29-F225 HydrophobicContact CZ3-CB 4.21Å; W29-F225 HydrophobicContact CZ3-CD2 4.22Å; W29-F225 HydrophobicContact CZ3-CG 4.07Å; T135-F225 HydrophobicContact CG2-CD1 4.28Å; T135-F225 HydrophobicContact CG2-CE1 4.14Å; D208-F225 HydrophobicContact CB-CB 4.05Å; D208-F225 WeakPolarHBondContact O-CB 3.38Å; D208-F225 PolarHBondContact O-N 3.44Å; F225-K236 WeakPolarHBondContact O-CE 3.22Å; F225-K236 PolarHBondContact O-NZ 3.07Å; F225-I297 WeakPolarHBondContact CZ-O 3.42Å; F225-C298 WeakPolarHBondContact CZ-O 3.48Å; F225-D300 VanDerWaalsContact CD2-O 3.3Å; F225-D300 WeakPolarHBondContact CD2-O 3.44Å; F225-D300 VanDerWaalsContact CE2-O 3.26Å; F225-D300 WeakPolarHBondContact CE2-O 3.25Å; F225-H301 AromaticContact CD2-ND1 3.96Å
226	N	93.7	Very high	94.3	Very high	13 Å²	13	32 Å²	32	7%	0.07	16%	0.159	C	C	.	.	S	Bend	trans	-131.9	84.5	175.5	-68	-52.3	0	0	0	110.1	R228 K236 I297	N226-R228 PolarHBondContact O-N 3.29Å; N226-K236 VanDerWaalsContact OD1-CD 3.27Å; N226-K236 WeakPolarHBondContact OD1-CD 3.19Å; N226-K236 VanDerWaalsContact OD1-CE 3.25Å; N226-K236 WeakPolarHBondContact OD1-CE 3.35Å; N226-K236 PolarHBondContact OD1-NZ 3.14Å; N226-I297 PolarHBondContact OD1-O 3.06Å
227	P	95.4	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.			trans	-62.5	132.7	179.3	17.7	-22.6	0	0	0	111	A195 K198 E224 F235 F302	A195-P227 HydrophobicContact CB-CG 4.5Å; K198-P227 HydrophobicContact CD-CB 4.04Å; E224-P227 HydrophobicContact CB-CB 4.45Å; E224-P227 VanDerWaalsContact CD-CA 3.44Å; E224-P227 HydrophobicContact CG-CB 4.23Å; E224-P227 WeakPolarHBondContact OE2-CB 3.36Å; P227-F235 HydrophobicContact CB-CD2 4.28Å; P227-F235 HydrophobicContact CB-CG 4.45Å; P227-F235 HydrophobicContact CG-CB 4.04Å; P227-F235 HydrophobicContact CG-CG 4.37Å; P227-F235 WeakPolarHBondContact O-CD2 3.32Å; P227-F235 PolarHBondContact O-N 2.95Å; P227-F302 HydrophobicContact CG-CB 3.54Å; P227-F302 HydrophobicContact CG-CD1 3.69Å; P227-F302 HydrophobicContact CG-CG 3.9Å
228	R	95.3	Very high	94.4	Very high	14 Å²	14	26.4 Å²	26.4	5%	0.053	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.9	179.8	-70.7	-174.4	161.6	-139.8	-6.3	113.6	K142 Y143 K198 T204 N226 K231 F233 D234	K142-R228 PolarHBondContact O-NH1 3.36Å; K142-R228 PolarHBondContact O-NH2 3.18Å; K142-R228 VanDerWaalsContact O-NH2 3.08Å; Y143-R228 VanDerWaalsContact CD1-NH2 3.32Å; Y143-R228 PolarHBondContact OH-NH2 2.95Å; K198-R228 WeakPolarHBondContact CE-O 3.41Å; T204-R228 HydrophobicContact CG2-CB 4.31Å; T204-R228 PolarHBondContact OG1-N 3.09Å; T204-R228 PolarHBondContact OG1-O 2.94Å; N226-R228 PolarHBondContact O-N 3.29Å; R228-K231 PolarHBondContact NH1-O 2.81Å; R228-F233 CarbonylContact C-O 3.31Å; R228-F233 WeakPolarHBondContact CA-O 3.41Å; R228-F233 WeakPolarHBondContact CB-O 3.44Å; R228-D234 HydrophobicContact CG-CB 4.32Å; R228-D234 IonicContact CZ-OD2 2.74Å; R228-D234 IonicContact NE-OD2 3.25Å; R228-D234 PolarHBondContact NE-OD2 2.94Å; R228-D234 IonicContact NH2-OD2 3.76Å; R228-D234 PolarHBondContact NH2-OD2 2.87Å
229	I	94.3	Very high	94.4	Very high	94 Å²	94	26.8 Å²	26.8	48%	0.482	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.5	161.8	-69.7	159.6	0	0	0	108.1	F194 F233 F235	F194-I229 HydrophobicContact CE1-CD1 4.45Å; F194-I229 HydrophobicContact CZ-CD1 4.34Å; I229-F233 HydrophobicContact CB-CB 4.1Å; I229-F233 HydrophobicContact CB-CD1 4.43Å; I229-F233 HydrophobicContact CD1-CD1 4.42Å; I229-F233 PolarHBondContact N-O 3.19Å; I229-F233 WeakPolarHBondContact O-CB 3.49Å; I229-F233 PolarHBondContact O-N 2.97Å; I229-F235 HydrophobicContact CD1-CE2 3.69Å; I229-F235 HydrophobicContact CD1-CZ 3.61Å; I229-F235 HydrophobicContact CG1-CE2 3.82Å; I229-F235 HydrophobicContact CG1-CZ 4.19Å
230	G	90.9	Very high	94.1	Very high	65 Å²	65	26.2 Å²	26.2	67%	0.67	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-152.6	-172	0	0	0	0	0	112.2
231	K	87.8	Confident	93.8	Very high	136 Å²	136	25.9 Å²	25.9	59%	0.591	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-26.7	-177.1	-169.3	175	-178.3	176.2	0	113.5	R228	R228-K231 PolarHBondContact NH1-O 2.81Å
232	W	91	Very high	93.8	Very high	112 Å²	112	24.3 Å²	24.3	42%	0.424	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-28.6	-161.5	-61.3	112.5	0	0	0	114.7	I129 K142 D234	I129-W232 HydrophobicContact CD1-CH2 4.02Å; I129-W232 HydrophobicContact CG1-CH2 4.43Å; I129-W232 HydrophobicContact CG1-CZ3 4.45Å; I129-W232 HydrophobicContact CG2-CZ3 4.41Å; K142-W232 HydrophobicContact CB-CZ3 4.1Å; W232-D234 PolarHBondContact O-N 3.33Å
233	F	95.4	Very high	93.5	Very high	27 Å²	27	24.3 Å²	24.3	12%	0.118	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	101.9	-177.2	-166.8	-83.5	0	0	0	111.1	V108 Y111 T112 R228 I229 F235 F238	V108-F233 HydrophobicContact CG1-CE2 4.26Å; V108-F233 HydrophobicContact CG2-CE2 4.26Å; Y111-F233 AromaticContact CD1-CD2 3.89Å; Y111-F233 HydrophobicContact CD1-CD2 3.89Å; Y111-F233 HydrophobicContact CD1-CE2 4.12Å; Y111-F233 HydrophobicContact CE1-CD2 4.1Å; T112-F233 HydrophobicContact CG2-CD2 3.73Å; T112-F233 HydrophobicContact CG2-CE2 4.38Å; R228-F233 CarbonylContact C-O 3.31Å; R228-F233 WeakPolarHBondContact CA-O 3.41Å; R228-F233 WeakPolarHBondContact CB-O 3.44Å; I229-F233 HydrophobicContact CB-CB 4.1Å; I229-F233 HydrophobicContact CB-CD1 4.43Å; I229-F233 HydrophobicContact CD1-CD1 4.42Å; I229-F233 PolarHBondContact N-O 3.19Å; I229-F233 WeakPolarHBondContact O-CB 3.49Å; I229-F233 PolarHBondContact O-N 2.97Å; F233-F235 AromaticContact CD1-CD2 3.86Å; F233-F235 HydrophobicContact CD1-CD2 3.86Å; F233-F235 AromaticContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CZ 4.35Å; F233-F235 AromaticContact CE1-CD2 3.9Å; F233-F235 HydrophobicContact CE1-CD2 3.9Å; F233-F235 HydrophobicContact CE1-CE1 4.42Å; F233-F235 AromaticContact CE1-CE2 3.78Å; F233-F235 HydrophobicContact CE1-CE2 3.78Å; F233-F235 HydrophobicContact CE1-CG 4.28Å; F233-F235 HydrophobicContact CE1-CZ 4.04Å; F233-F238 HydrophobicContact CE1-CB 4.41Å; F233-F238 HydrophobicContact CE1-CD1 4.31Å; F233-F238 HydrophobicContact CE1-CG 4.39Å; F233-F238 HydrophobicContact CE2-CB 4.42Å; F233-F238 HydrophobicContact CE2-CD1 4.24Å; F233-F238 HydrophobicContact CE2-CD2 4.01Å; F233-F238 HydrophobicContact CE2-CE2 4.39Å; F233-F238 AromaticContact CE2-CG 3.94Å; F233-F238 HydrophobicContact CE2-CG 3.94Å; F233-F238 HydrophobicContact CZ-CB 4.03Å; F233-F238 AromaticContact CZ-CD1 3.52Å; F233-F238 HydrophobicContact CZ-CD1 3.52Å; F233-F238 HydrophobicContact CZ-CD2 4.12Å; F233-F238 HydrophobicContact CZ-CE1 4.01Å; F233-F238 AromaticContact CZ-CG 3.59Å; F233-F238 HydrophobicContact CZ-CG 3.59Å
234	D	96.2	Very high	93.2	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	-102.9	120	177.9	-170.2	-78.7	0	0	0	111	Y143 R228 W232 K236 L237 F238	Y143-D234 HydrophobicContact CD1-CB 4.23Å; Y143-D234 HydrophobicContact CE1-CB 3.82Å; Y143-D234 VanDerWaalsContact CE1-CG 3.42Å; Y143-D234 VanDerWaalsContact CE1-OD2 3.29Å; Y143-D234 WeakPolarHBondContact CE1-OD2 3.46Å; Y143-D234 PolarHBondContact OH-OD2 3.41Å; R228-D234 HydrophobicContact CG-CB 4.32Å; R228-D234 IonicContact CZ-OD2 2.74Å; R228-D234 IonicContact NE-OD2 3.25Å; R228-D234 PolarHBondContact NE-OD2 2.94Å; R228-D234 IonicContact NH2-OD2 3.76Å; R228-D234 PolarHBondContact NH2-OD2 2.87Å; W232-D234 PolarHBondContact O-N 3.33Å; D234-K236 PolarHBondContact O-N 3.36Å; D234-K236 PolarHBondContact OD1-N 3.05Å; D234-L237 HydrophobicContact CB-CB 4.45Å; D234-L237 PolarHBondContact OD1-N 3Å; D234-F238 WeakPolarHBondContact O-CB 3.3Å; D234-F238 PolarHBondContact O-N 3.48Å
235	F	96.4	Very high	93.2	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.044	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-39.4	-172.6	-83.1	-110.3	0	0	0	112.4	V191 F194 P227 I229 F233 F239 F302	V191-F235 HydrophobicContact CG2-CD1 3.51Å; V191-F235 HydrophobicContact CG2-CE1 3.58Å; F194-F235 AromaticContact CD1-CE1 3.73Å; F194-F235 HydrophobicContact CD1-CE1 3.73Å; F194-F235 AromaticContact CD1-CZ 3.7Å; F194-F235 HydrophobicContact CD1-CZ 3.7Å; F194-F235 AromaticContact CE1-CE1 3.86Å; F194-F235 HydrophobicContact CE1-CE1 3.86Å; F194-F235 HydrophobicContact CE1-CE2 4.05Å; F194-F235 AromaticContact CE1-CZ 3.31Å; F194-F235 HydrophobicContact CE1-CZ 3.31Å; F194-F235 HydrophobicContact CZ-CZ 4.33Å; P227-F235 HydrophobicContact CB-CD2 4.28Å; P227-F235 HydrophobicContact CB-CG 4.45Å; P227-F235 HydrophobicContact CG-CB 4.04Å; P227-F235 HydrophobicContact CG-CG 4.37Å; P227-F235 WeakPolarHBondContact O-CD2 3.32Å; P227-F235 PolarHBondContact O-N 2.95Å; I229-F235 HydrophobicContact CD1-CE2 3.69Å; I229-F235 HydrophobicContact CD1-CZ 3.61Å; I229-F235 HydrophobicContact CG1-CE2 3.82Å; I229-F235 HydrophobicContact CG1-CZ 4.19Å; F233-F235 AromaticContact CD1-CD2 3.86Å; F233-F235 HydrophobicContact CD1-CD2 3.86Å; F233-F235 AromaticContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CE2 3.7Å; F233-F235 HydrophobicContact CD1-CZ 4.35Å; F233-F235 AromaticContact CE1-CD2 3.9Å; F233-F235 HydrophobicContact CE1-CD2 3.9Å; F233-F235 HydrophobicContact CE1-CE1 4.42Å; F233-F235 AromaticContact CE1-CE2 3.78Å; F233-F235 HydrophobicContact CE1-CE2 3.78Å; F233-F235 HydrophobicContact CE1-CG 4.28Å; F233-F235 HydrophobicContact CE1-CZ 4.04Å; F235-F239 HydrophobicContact CB-CD2 4.44Å; F235-F239 HydrophobicContact CD1-CD2 4.09Å; F235-F239 AromaticContact CD1-CE2 3.73Å; F235-F239 HydrophobicContact CD1-CE2 3.73Å; F235-F239 HydrophobicContact CE1-CE2 4.15Å; F235-F239 WeakPolarHBondContact O-CB 3.44Å; F235-F239 WeakPolarHBondContact O-CD2 3.41Å; F235-F239 PolarHBondContact O-N 3.4Å; F235-F302 HydrophobicContact CB-CD1 4.06Å; F235-F302 HydrophobicContact CB-CD2 4.49Å; F235-F302 HydrophobicContact CB-CE1 3.91Å; F235-F302 HydrophobicContact CB-CE2 4.33Å; F235-F302 HydrophobicContact CB-CG 4.34Å; F235-F302 HydrophobicContact CB-CZ 4.04Å; F235-F302 AromaticContact CD1-CE1 3.91Å; F235-F302 HydrophobicContact CD1-CE1 3.91Å; F235-F302 HydrophobicContact CD1-CZ 4.34Å; F235-F302 HydrophobicContact CG-CE1 4.33Å
236	K	95.2	Very high	93.4	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-50.1	-178.3	-65.3	-173.8	177.3	166.8	0	111.4	F225 N226 D234 F238 N240 D296 I297 D300 F302 L306	F225-K236 WeakPolarHBondContact O-CE 3.22Å; F225-K236 PolarHBondContact O-NZ 3.07Å; N226-K236 VanDerWaalsContact OD1-CD 3.27Å; N226-K236 WeakPolarHBondContact OD1-CD 3.19Å; N226-K236 VanDerWaalsContact OD1-CE 3.25Å; N226-K236 WeakPolarHBondContact OD1-CE 3.35Å; N226-K236 PolarHBondContact OD1-NZ 3.14Å; D234-K236 PolarHBondContact O-N 3.36Å; D234-K236 PolarHBondContact OD1-N 3.05Å; K236-F238 VanDerWaalsContact C-N 3.33Å; K236-N240 WeakPolarHBondContact O-CB 3.29Å; K236-N240 PolarHBondContact O-N 2.72Å; K236-N240 VanDerWaalsContact O-N 3.16Å; K236-D296 WeakPolarHBondContact CD-O 3.09Å; K236-D296 WeakPolarHBondContact CE-O 3.48Å; K236-D296 PolarHBondContact NZ-O 3.03Å; K236-I297 HydrophobicContact CB-CD1 3.55Å; K236-I297 HydrophobicContact CD-CD1 4.08Å; K236-I297 PolarHBondContact NZ-O 3.2Å; K236-I297 VanDerWaalsContact NZ-O 3.13Å; K236-D300 WeakPolarHBondContact CE-O 3.03Å; K236-D300 PolarHBondContact NZ-O 3.45Å; K236-F302 HydrophobicContact CB-CD2 4.44Å; K236-F302 HydrophobicContact CG-CB 3.93Å; K236-F302 HydrophobicContact CG-CD2 3.7Å; K236-F302 HydrophobicContact CG-CG 4.16Å; K236-L306 HydrophobicContact CD-CD1 4.39Å; K236-L306 HydrophobicContact CG-CD1 4.35Å
237	L	95.3	Very high	93.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-40.3	-179.2	-174.8	64.8	0	0	0	111	Y111 Y143 I145 D234 G241 E288 Y291 L292	Y111-L237 HydrophobicContact CE2-CD2 4.21Å; Y111-L237 HydrophobicContact CE2-CG 4.22Å; Y143-L237 HydrophobicContact CD1-CB 4.3Å; Y143-L237 HydrophobicContact CD1-CD2 3.61Å; Y143-L237 HydrophobicContact CE1-CB 4.38Å; Y143-L237 HydrophobicContact CE1-CD2 4.45Å; Y143-L237 HydrophobicContact CG-CD2 4.31Å; I145-L237 HydrophobicContact CD1-CD2 3.86Å; D234-L237 HydrophobicContact CB-CB 4.45Å; D234-L237 PolarHBondContact OD1-N 3Å; L237-G241 PolarHBondContact O-N 3.18Å; L237-G241 VanDerWaalsContact O-N 3.15Å; L237-E288 HydrophobicContact CD1-CG 4.39Å; L237-Y291 HydrophobicContact CD1-CD1 4.24Å; L237-L292 HydrophobicContact CD1-CD2 4.3Å; L237-L292 HydrophobicContact CD2-CD2 4.24Å
238	F	96.6	Very high	93.6	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-58.6	178.9	176.3	-103.1	0	0	0	111.6	Q107 V108 Y111 F233 D234 K236 N240 G241 R242 P243	Q107-F238 HydrophobicContact CB-CE2 4.22Å; Q107-F238 HydrophobicContact CB-CZ 4.3Å; V108-F238 HydrophobicContact CB-CE2 4.48Å; V108-F238 HydrophobicContact CB-CZ 4.42Å; V108-F238 HydrophobicContact CG2-CE1 4.09Å; V108-F238 HydrophobicContact CG2-CE2 3.88Å; V108-F238 HydrophobicContact CG2-CZ 3.42Å; V108-F238 VanDerWaalsContact CG2-CZ 3.42Å; Y111-F238 HydrophobicContact CD1-CD2 4.01Å; Y111-F238 HydrophobicContact CD2-CB 4.41Å; Y111-F238 AromaticContact CD2-CD2 3.91Å; Y111-F238 HydrophobicContact CD2-CD2 3.91Å; Y111-F238 HydrophobicContact CE1-CB 4.34Å; Y111-F238 HydrophobicContact CE2-CB 4.22Å; Y111-F238 AromaticContact CG-CD2 3.6Å; Y111-F238 HydrophobicContact CG-CD2 3.6Å; Y111-F238 HydrophobicContact CG-CE2 4.35Å; F233-F238 HydrophobicContact CE1-CB 4.41Å; F233-F238 HydrophobicContact CE1-CD1 4.31Å; F233-F238 HydrophobicContact CE1-CG 4.39Å; F233-F238 HydrophobicContact CE2-CB 4.42Å; F233-F238 HydrophobicContact CE2-CD1 4.24Å; F233-F238 HydrophobicContact CE2-CD2 4.01Å; F233-F238 HydrophobicContact CE2-CE2 4.39Å; F233-F238 AromaticContact CE2-CG 3.94Å; F233-F238 HydrophobicContact CE2-CG 3.94Å; F233-F238 HydrophobicContact CZ-CB 4.03Å; F233-F238 AromaticContact CZ-CD1 3.52Å; F233-F238 HydrophobicContact CZ-CD1 3.52Å; F233-F238 HydrophobicContact CZ-CD2 4.12Å; F233-F238 HydrophobicContact CZ-CE1 4.01Å; F233-F238 AromaticContact CZ-CG 3.59Å; F233-F238 HydrophobicContact CZ-CG 3.59Å; D234-F238 WeakPolarHBondContact O-CB 3.3Å; D234-F238 PolarHBondContact O-N 3.48Å; K236-F238 VanDerWaalsContact C-N 3.33Å; F238-N240 PolarHBondContact O-N 3.1Å; F238-G241 PolarHBondContact O-N 3.34Å; F238-R242 HydrophobicContact CD2-CB 3.91Å; F238-R242 HydrophobicContact CD2-CG 3.76Å; F238-R242 HydrophobicContact CE2-CB 3.76Å; F238-R242 HydrophobicContact CE2-CG 3.99Å; F238-R242 HydrophobicContact CZ-CB 4.41Å; F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 2.87Å; F238-P243 HydrophobicContact CE1-CG 4.21Å; F238-P243 WeakPolarHBondContact O-CD 3.15Å
239	F	95.5	Very high	93.7	Very high	10 Å²	10	24.2 Å²	24.2	4%	0.044	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-41.6	-172.6	-83.8	-81.5	0	0	0	112.5	L187 V191 F235 P243 F302 D310 C311	L187-F239 HydrophobicContact CD1-CE1 4.4Å; L187-F239 HydrophobicContact CD1-CZ 4.48Å; L187-F239 HydrophobicContact CD2-CE1 4.01Å; L187-F239 HydrophobicContact CG-CE1 4.12Å; V191-F239 HydrophobicContact CB-CE1 4.29Å; V191-F239 HydrophobicContact CB-CE2 4.22Å; V191-F239 HydrophobicContact CB-CZ 3.83Å; V191-F239 HydrophobicContact CG1-CE1 4.21Å; V191-F239 HydrophobicContact CG1-CZ 4.21Å; V191-F239 HydrophobicContact CG2-CD2 3.97Å; V191-F239 HydrophobicContact CG2-CE1 4.16Å; V191-F239 HydrophobicContact CG2-CE2 3.25Å; V191-F239 HydrophobicContact CG2-CZ 3.35Å; F235-F239 HydrophobicContact CB-CD2 4.44Å; F235-F239 HydrophobicContact CD1-CD2 4.09Å; F235-F239 AromaticContact CD1-CE2 3.73Å; F235-F239 HydrophobicContact CD1-CE2 3.73Å; F235-F239 HydrophobicContact CE1-CE2 4.15Å; F235-F239 WeakPolarHBondContact O-CB 3.44Å; F235-F239 WeakPolarHBondContact O-CD2 3.41Å; F235-F239 PolarHBondContact O-N 3.4Å; F239-P243 HydrophobicContact CD1-CG 3.88Å; F239-P243 HydrophobicContact CE1-CG 4.4Å; F239-F302 HydrophobicContact CB-CE2 4.36Å; F239-F302 HydrophobicContact CB-CZ 4.41Å; F239-F302 AromaticContact CD2-CZ 3.95Å; F239-F302 HydrophobicContact CD2-CZ 3.95Å; F239-F302 HydrophobicContact CG-CZ 4.28Å; F239-D310 HydrophobicContact CB-CB 4.19Å; F239-C311 WeakPolarHBondContact CD1-SG 3.49Å
240	N	91.7	Very high	93.9	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.07	11%	0.108	C	C	.	.	I	π-helix	trans	-63.1	-49.3	177.9	-175.2	-100.7	0	0	0	112.2	K236 F238 I245 Y291 D310	K236-N240 WeakPolarHBondContact O-CB 3.29Å; K236-N240 PolarHBondContact O-N 2.72Å; K236-N240 VanDerWaalsContact O-N 3.16Å; F238-N240 PolarHBondContact O-N 3.1Å; N240-I245 VanDerWaalsContact O-CD1 3.32Å; N240-I245 WeakPolarHBondContact O-CD1 3.34Å; N240-I245 WeakPolarHBondContact O-CG1 3.38Å; N240-I245 PolarHBondContact O-N 3.49Å; N240-Y291 HydrophobicContact CB-CE1 4.22Å; N240-Y291 PolarHBondContact ND2-OH 3.28Å; N240-Y291 WeakPolarHBondContact OD1-CE1 3.35Å; N240-Y291 PolarHBondContact OD1-OH 2.87Å; N240-Y291 VanDerWaalsContact OD1-OH 3.05Å; N240-D310 VanDerWaalsContact CA-CG 3.44Å; N240-D310 WeakPolarHBondContact CA-OD2 3.46Å; N240-D310 PolarHBondContact N-OD2 3.4Å; N240-D310 PolarHBondContact ND2-OD1 2.82Å
241	G	89.3	Confident	94.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-79.9	-48.8	-174.6	0	0	0	0	0	113.7	L237 F238 I245 V246 F285	L237-G241 PolarHBondContact O-N 3.18Å; L237-G241 VanDerWaalsContact O-N 3.15Å; F238-G241 PolarHBondContact O-N 3.34Å; G241-I245 WeakPolarHBondContact O-CB 3.34Å; G241-I245 PolarHBondContact O-N 3.17Å; G241-V246 PolarHBondContact O-N 3.48Å; G241-V246 VanDerWaalsContact O-N 3.16Å; G241-F285 WeakPolarHBondContact O-CZ 3.26Å
242	R	92.9	Very high	94.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-85.9	-78.2	-161.2	-55.2	-67.9	177.5	-79.8	-3.7	112.8	Q107 Y111 N146 G147 F238 G244 V246 E288	Q107-R242 HydrophobicContact CB-CB 4.12Å; Q107-R242 HydrophobicContact CG-CB 4.45Å; Y111-R242 HydrophobicContact CD2-CG 3.9Å; N146-R242 PolarHBondContact OD1-NH2 3.5Å; G147-R242 VanDerWaalsContact CA-CZ 3.47Å; G147-R242 VanDerWaalsContact CA-NH2 3.33Å; F238-R242 HydrophobicContact CD2-CB 3.91Å; F238-R242 HydrophobicContact CD2-CG 3.76Å; F238-R242 HydrophobicContact CE2-CB 3.76Å; F238-R242 HydrophobicContact CE2-CG 3.99Å; F238-R242 HydrophobicContact CZ-CB 4.41Å; F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 2.87Å; R242-G244 PolarHBondContact O-N 3.29Å; R242-V246 VanDerWaalsContact O-CB 3.29Å; R242-V246 WeakPolarHBondContact O-CB 3.46Å; R242-V246 PolarHBondContact O-N 3.36Å; R242-E288 IonicContact CZ-OE1 2.87Å; R242-E288 VanDerWaalsContact CZ-OE1 3.23Å; R242-E288 IonicContact NH1-OE1 2.73Å; R242-E288 PolarHBondContact NH1-OE1 3.01Å; R242-E288 IonicContact NH2-OE1 3.44Å; R242-E288 PolarHBondContact NH2-OE1 2.89Å; R242-E288 IonicContact NH2-OE2 2.82Å
243	P	89.1	Confident	95.1	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.019	4%	0.039	C	C	.	.	I	π-helix	trans	-65.9	-23.3	-175.9	30.9	-36.2	0	0	0	113.1	F238 F239 A247	F238-P243 HydrophobicContact CE1-CG 4.21Å; F238-P243 WeakPolarHBondContact O-CD 3.15Å; F239-P243 HydrophobicContact CD1-CG 3.88Å; F239-P243 HydrophobicContact CE1-CG 4.4Å; P243-A247 WeakPolarHBondContact O-CB 3.46Å
244	G	87.7	Confident	95.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-86	-77	177	0	0	0	0	0	113.5	R242 V246 A247 W248 D310	R242-G244 PolarHBondContact O-N 3.29Å; G244-V246 PolarHBondContact O-N 3.16Å; G244-A247 WeakPolarHBondContact O-CB 3.42Å; G244-A247 PolarHBondContact O-N 3.43Å; G244-W248 PolarHBondContact O-N 3.46Å; G244-D310 WeakPolarHBondContact CA-O 3.35Å
245	I	94.8	Very high	95.4	Very high	13 Å²	13	6.2 Å²	6.2	7%	0.067	3%	0.033	C	C	.	.	I	π-helix	trans	-67.7	-37	-170.2	-67.5	169.7	0	0	0	113.3	N240 G241 A247 W248 V281 F284 F285 L314	N240-I245 VanDerWaalsContact O-CD1 3.32Å; N240-I245 WeakPolarHBondContact O-CD1 3.34Å; N240-I245 WeakPolarHBondContact O-CG1 3.38Å; N240-I245 PolarHBondContact O-N 3.49Å; G241-I245 WeakPolarHBondContact O-CB 3.34Å; G241-I245 PolarHBondContact O-N 3.17Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 3.43Å; I245-W248 WeakPolarHBondContact O-CB 3.43Å; I245-W248 PolarHBondContact O-N 3.42Å; I245-V281 HydrophobicContact CG2-CB 4.43Å; I245-V281 HydrophobicContact CG2-CG1 3.78Å; I245-V281 HydrophobicContact CG2-CG2 4.12Å; I245-F284 HydrophobicContact CD1-CD1 4.01Å; I245-F284 HydrophobicContact CD1-CD2 4.15Å; I245-F284 HydrophobicContact CD1-CE1 3.63Å; I245-F284 HydrophobicContact CD1-CE2 3.76Å; I245-F284 HydrophobicContact CD1-CG 4.27Å; I245-F284 HydrophobicContact CD1-CZ 3.49Å; I245-F284 VanDerWaalsContact CD1-CZ 3.49Å; I245-F284 HydrophobicContact CG2-CD1 3.94Å; I245-F284 HydrophobicContact CG2-CE1 4.27Å; I245-F285 HydrophobicContact CB-CZ 4.16Å; I245-F285 HydrophobicContact CG2-CE2 3.7Å; I245-F285 HydrophobicContact CG2-CZ 3.72Å; I245-L314 HydrophobicContact CD1-CD1 4.47Å; I245-L314 HydrophobicContact CG1-CD1 3.77Å; I245-L314 HydrophobicContact CG1-CD2 4.44Å
246	V	96.5	Very high	95.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-65.2	-38.9	173.5	-174.9	0	0	0	0	110.7	W103 T154 G241 R242 G244 W248 T249 F285	W103-V246 HydrophobicContact CH2-CB 4.03Å; W103-V246 HydrophobicContact CH2-CG1 3.77Å; W103-V246 HydrophobicContact CZ2-CB 4.36Å; T154-V246 HydrophobicContact CG2-CG1 3.84Å; G241-V246 PolarHBondContact O-N 3.48Å; G241-V246 VanDerWaalsContact O-N 3.16Å; R242-V246 VanDerWaalsContact O-CB 3.29Å; R242-V246 WeakPolarHBondContact O-CB 3.46Å; R242-V246 PolarHBondContact O-N 3.36Å; G244-V246 PolarHBondContact O-N 3.16Å; V246-W248 VanDerWaalsContact C-N 3.28Å; V246-W248 PolarHBondContact O-N 3.36Å; V246-T249 PolarHBondContact O-OG1 2.9Å; V246-F285 HydrophobicContact CB-CZ 4.44Å; V246-F285 HydrophobicContact CG2-CE1 4.21Å; V246-F285 HydrophobicContact CG2-CE2 3.88Å; V246-F285 HydrophobicContact CG2-CZ 3.38Å
247	A	96.2	Very high	95.6	Very high	10 Å²	10	6.8 Å²	6.8	8%	0.083	4%	0.041	C	C	.	.	H	α-helix	trans	-65.5	-33.1	178.9	0	0	0	0	0	111.9	W103 P243 G244 I245 T249 L250 I251	W103-A247 HydrophobicContact CZ2-CB 3.76Å; P243-A247 WeakPolarHBondContact O-CB 3.46Å; G244-A247 WeakPolarHBondContact O-CB 3.42Å; G244-A247 PolarHBondContact O-N 3.43Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 3.43Å; A247-T249 VanDerWaalsContact C-N 3.35Å; A247-T249 PolarHBondContact O-N 3.05Å; A247-L250 PolarHBondContact O-N 3.42Å; A247-I251 HydrophobicContact CB-CD1 4.03Å; A247-I251 WeakPolarHBondContact O-CB 3.33Å; A247-I251 WeakPolarHBondContact O-CD1 3.18Å; A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.1Å
248	W	97.9	Very high	95.8	Very high	3 Å²	3	8 Å²	8	1%	0.011	5%	0.046	C	C	.	.	H	α-helix	trans	-48.1	-53.8	179.8	-175.5	2.6	0	0	0	112.3	G244 I245 V246 I251 N252 Q277 Y280 V281 L314 Y318 T319	G244-W248 PolarHBondContact O-N 3.46Å; I245-W248 WeakPolarHBondContact O-CB 3.43Å; I245-W248 PolarHBondContact O-N 3.42Å; V246-W248 VanDerWaalsContact C-N 3.28Å; V246-W248 PolarHBondContact O-N 3.36Å; W248-I251 PolarHBondContact O-N 3.15Å; W248-N252 PolarHBondContact NE1-ND2 3.02Å; W248-N252 PolarHBondContact O-N 2.84Å; W248-N252 VanDerWaalsContact O-N 3.14Å; W248-N252 PolarHBondContact O-ND2 2.9Å; W248-Q277 HydrophobicContact CZ2-CB 3.89Å; W248-Q277 HydrophobicContact CZ2-CG 3.7Å; W248-Y280 AromaticContact CH2-CD1 3.89Å; W248-Y280 HydrophobicContact CH2-CD1 3.89Å; W248-Y280 HydrophobicContact CH2-CE1 4.32Å; W248-Y280 AromaticContact CZ3-CD1 3.65Å; W248-Y280 HydrophobicContact CZ3-CD1 3.65Å; W248-Y280 AromaticContact CZ3-CE1 3.96Å; W248-Y280 HydrophobicContact CZ3-CE1 3.96Å; W248-V281 HydrophobicContact CD2-CG2 3.81Å; W248-V281 HydrophobicContact CE3-CG2 3.26Å; W248-V281 HydrophobicContact CG-CG2 4.37Å; W248-V281 HydrophobicContact CZ3-CG2 3.67Å; W248-L314 HydrophobicContact CB-CD2 4.42Å; W248-Y318 HydrophobicContact CE3-CD2 4.36Å; W248-Y318 AromaticContact CH2-CD2 3.93Å; W248-Y318 HydrophobicContact CH2-CD2 3.93Å; W248-Y318 HydrophobicContact CZ2-CD2 4.17Å; W248-Y318 HydrophobicContact CZ3-CD2 4.02Å; W248-Y318 PolarHBondContact NE1-O 3.46Å; W248-T319 HydrophobicContact CG-CG2 4.33Å
249	T	97.7	Very high	95.9	Very high	7 Å²	7	8 Å²	8	4%	0.043	5%	0.046	C	C	.	.	H	α-helix	trans	-72	-31.7	-179.5	46.3	0	0	0	0	112.9	W151 H155 V246 A247 N252 L253 A278 V281	W151-T249 PolarHBondContact NE1-OG1 3.02Å; H155-T249 PolarHBondContact CE1-OG1 3.05Å; H155-T249 WeakPolarHBondContact NE2-CB 3.4Å; H155-T249 PolarHBondContact NE2-OG1 2.96Å; V246-T249 PolarHBondContact O-OG1 2.9Å; A247-T249 VanDerWaalsContact C-N 3.35Å; A247-T249 PolarHBondContact O-N 3.05Å; T249-N252 PolarHBondContact O-N 2.97Å; T249-L253 VanDerWaalsContact O-CG 3.3Å; T249-L253 WeakPolarHBondContact O-CG 3.41Å; T249-L253 PolarHBondContact O-N 3.05Å; T249-A278 HydrophobicContact CG2-CB 4.22Å; T249-V281 HydrophobicContact CG2-CB 3.79Å; T249-V281 HydrophobicContact CG2-CG1 3.87Å; T249-V281 HydrophobicContact CG2-CG2 3.92Å
250	L	97.5	Very high	96	Very high	12 Å²	12	14.3 Å²	14.3	6%	0.063	7%	0.069	C	C	.	.	H	α-helix	trans	-66.1	-41.6	173.2	-75.1	-177.9	0	0	0	112.8	W103 T154 W158 I173 A247 N252 L253 S254	W103-L250 HydrophobicContact CE3-CD1 4.48Å; W103-L250 HydrophobicContact CH2-CD1 3.88Å; W103-L250 HydrophobicContact CZ3-CD1 3.69Å; T154-L250 HydrophobicContact CG2-CD1 3.56Å; T154-L250 HydrophobicContact CG2-CD2 4.37Å; T154-L250 HydrophobicContact CG2-CG 4.22Å; W158-L250 HydrophobicContact CB-CD2 3.82Å; W158-L250 HydrophobicContact CG-CD2 3.84Å; I173-L250 HydrophobicContact CD1-CB 4.02Å; A247-L250 PolarHBondContact O-N 3.42Å; L250-N252 VanDerWaalsContact C-N 3.32Å; L250-L253 PolarHBondContact O-N 2.82Å; L250-S254 PolarHBondContact O-N 3.49Å
251	I	98.6	Very high	96.3	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-48.6	176.9	-68	158.8	0	0	0	109	I173 W177 A247 W248 L253 S254 F255 P315 T319	I173-I251 HydrophobicContact CG2-CG1 3.95Å; W177-I251 HydrophobicContact CH2-CD1 3.98Å; W177-I251 HydrophobicContact CH2-CG1 4.29Å; W177-I251 HydrophobicContact CH2-CG2 3.66Å; W177-I251 HydrophobicContact CZ2-CG2 4.46Å; W177-I251 HydrophobicContact CZ3-CB 4.49Å; W177-I251 HydrophobicContact CZ3-CD1 3.95Å; W177-I251 HydrophobicContact CZ3-CG1 3.92Å; W177-I251 HydrophobicContact CZ3-CG2 3.7Å; A247-I251 HydrophobicContact CB-CD1 4.03Å; A247-I251 WeakPolarHBondContact O-CB 3.33Å; A247-I251 WeakPolarHBondContact O-CD1 3.18Å; A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.1Å; W248-I251 PolarHBondContact O-N 3.15Å; I251-L253 PolarHBondContact O-N 2.82Å; I251-S254 CarbonylContact O-C 3.32Å; I251-S254 WeakPolarHBondContact O-CB 3.27Å; I251-S254 PolarHBondContact O-N 3.16Å; I251-S254 VanDerWaalsContact O-N 3.13Å; I251-F255 HydrophobicContact CG2-CD1 4.3Å; I251-F255 HydrophobicContact CG2-CD2 4.01Å; I251-F255 HydrophobicContact CG2-CE1 3.79Å; I251-F255 HydrophobicContact CG2-CE2 3.46Å; I251-F255 VanDerWaalsContact CG2-CE2 3.46Å; I251-F255 HydrophobicContact CG2-CG 4.44Å; I251-F255 HydrophobicContact CG2-CZ 3.35Å; I251-F255 WeakPolarHBondContact O-CD1 3.42Å; I251-F255 VanDerWaalsContact O-CG 3.3Å; I251-F255 WeakPolarHBondContact O-CG 3.19Å; I251-F255 PolarHBondContact O-N 2.8Å; I251-P315 HydrophobicContact CD1-CB 3.72Å; I251-T319 HydrophobicContact CB-CG2 4.1Å; I251-T319 HydrophobicContact CD1-CG2 4.46Å; I251-T319 HydrophobicContact CG2-CG2 3.77Å
252	N	98.4	Very high	96.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-42.1	176.7	-79.7	-20.6	0	0	0	113.3	W248 T249 L250 S254 F255 A256 N274 Q277	W248-N252 PolarHBondContact NE1-ND2 3.02Å; W248-N252 PolarHBondContact O-N 2.84Å; W248-N252 VanDerWaalsContact O-N 3.14Å; W248-N252 PolarHBondContact O-ND2 2.9Å; T249-N252 PolarHBondContact O-N 2.97Å; L250-N252 VanDerWaalsContact C-N 3.32Å; N252-S254 VanDerWaalsContact C-N 3.35Å; N252-F255 WeakPolarHBondContact O-CB 3.32Å; N252-F255 PolarHBondContact O-N 3.28Å; N252-A256 PolarHBondContact O-N 2.84Å; N252-N274 VanDerWaalsContact C-OD1 3.24Å; N252-N274 VanDerWaalsContact CB-OD1 3.23Å; N252-N274 WeakPolarHBondContact CB-OD1 3.29Å; N252-N274 PolarHBondContact O-OD1 3.2Å; N252-Q277 PolarHBondContact ND2-OE1 2.69Å
253	L	98.4	Very high	96.9	Very high	35 Å²	35	25.8 Å²	25.8	18%	0.183	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-40.7	174.4	-72.3	173.8	0	0	0	111.8	W158 F159 T249 L250 I251 F255 A256 A257	W158-L253 HydrophobicContact CE3-CD1 4.07Å; W158-L253 HydrophobicContact CH2-CB 3.84Å; W158-L253 HydrophobicContact CZ2-CB 3.98Å; W158-L253 HydrophobicContact CZ3-CB 4.14Å; W158-L253 HydrophobicContact CZ3-CD1 4.17Å; F159-L253 HydrophobicContact CE2-CD1 4.2Å; F159-L253 HydrophobicContact CZ-CD1 4.09Å; F159-L253 HydrophobicContact CZ-CD2 4.21Å; T249-L253 VanDerWaalsContact O-CG 3.3Å; T249-L253 WeakPolarHBondContact O-CG 3.41Å; T249-L253 PolarHBondContact O-N 3.05Å; L250-L253 PolarHBondContact O-N 2.82Å; I251-L253 PolarHBondContact O-N 2.82Å; L253-F255 VanDerWaalsContact C-N 3.31Å; L253-F255 PolarHBondContact O-N 3.18Å; L253-A256 PolarHBondContact O-N 2.86Å; L253-A257 WeakPolarHBondContact O-CB 3.3Å; L253-A257 PolarHBondContact O-N 3.46Å
254	S	98.7	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-35	174.3	-177.7	0	0	0	0	112.2	P170 T171 I173 F174 L250 I251 N252 A257 K258	P170-S254 WeakPolarHBondContact O-CA 3.34Å; P170-S254 WeakPolarHBondContact O-CB 3.32Å; P170-S254 PolarHBondContact O-OG 2.94Å; T171-S254 VanDerWaalsContact C-OG 3.3Å; T171-S254 WeakPolarHBondContact CA-OG 3.2Å; T171-S254 PolarHBondContact O-OG 2.94Å; I173-S254 WeakPolarHBondContact CB-OG 3.26Å; I173-S254 PolarHBondContact N-OG 3.43Å; F174-S254 PolarHBondContact N-OG 2.59Å; F174-S254 VanDerWaalsContact N-OG 3.15Å; L250-S254 PolarHBondContact O-N 3.49Å; I251-S254 CarbonylContact O-C 3.32Å; I251-S254 WeakPolarHBondContact O-CB 3.27Å; I251-S254 PolarHBondContact O-N 3.16Å; I251-S254 VanDerWaalsContact O-N 3.13Å; N252-S254 VanDerWaalsContact C-N 3.35Å; S254-A257 PolarHBondContact O-N 3.44Å; S254-K258 WeakPolarHBondContact O-CB 2.84Å; S254-K258 PolarHBondContact O-N 3.32Å
255	F	98.7	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-43.7	174.4	-67.8	-9	0	0	0	111.3	F174 W177 I251 N252 L253 A257 K258 Q259 M270 L323 V326	F174-F255 HydrophobicContact CB-CD1 4.01Å; F174-F255 HydrophobicContact CB-CE1 4.2Å; F174-F255 AromaticContact CD2-CD1 3.59Å; F174-F255 HydrophobicContact CD2-CD1 3.59Å; F174-F255 AromaticContact CD2-CE1 3.69Å; F174-F255 HydrophobicContact CD2-CE1 3.69Å; F174-F255 HydrophobicContact CG-CD1 4.28Å; F174-F255 HydrophobicContact CG-CE1 4.42Å; W177-F255 HydrophobicContact CD2-CE1 4.29Å; W177-F255 HydrophobicContact CD2-CZ 4.09Å; W177-F255 AromaticContact CE2-CZ 3.84Å; W177-F255 HydrophobicContact CE3-CE1 4.38Å; W177-F255 HydrophobicContact CE3-CZ 4.3Å; W177-F255 HydrophobicContact CH2-CZ 4.12Å; W177-F255 AromaticContact CZ2-CZ 3.84Å; W177-F255 HydrophobicContact CZ2-CZ 3.84Å; W177-F255 HydrophobicContact CZ3-CZ 4.34Å; I251-F255 HydrophobicContact CG2-CD1 4.3Å; I251-F255 HydrophobicContact CG2-CD2 4.01Å; I251-F255 HydrophobicContact CG2-CE1 3.79Å; I251-F255 HydrophobicContact CG2-CE2 3.46Å; I251-F255 VanDerWaalsContact CG2-CE2 3.46Å; I251-F255 HydrophobicContact CG2-CG 4.44Å; I251-F255 HydrophobicContact CG2-CZ 3.35Å; I251-F255 WeakPolarHBondContact O-CD1 3.42Å; I251-F255 VanDerWaalsContact O-CG 3.3Å; I251-F255 WeakPolarHBondContact O-CG 3.19Å; I251-F255 PolarHBondContact O-N 2.8Å; N252-F255 WeakPolarHBondContact O-CB 3.32Å; N252-F255 PolarHBondContact O-N 3.28Å; L253-F255 VanDerWaalsContact C-N 3.31Å; L253-F255 PolarHBondContact O-N 3.18Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.39Å; F255-K258 PolarHBondContact O-N 3.41Å; F255-Q259 PolarHBondContact O-N 3.19Å; F255-M270 HydrophobicContact CB-CE 4.21Å; F255-L323 HydrophobicContact CD2-CB 4.29Å; F255-L323 HydrophobicContact CE1-CD1 4.29Å; F255-L323 HydrophobicContact CE2-CB 3.66Å; F255-L323 HydrophobicContact CE2-CD1 4.4Å; F255-L323 HydrophobicContact CZ-CB 4.03Å; F255-L323 HydrophobicContact CZ-CD1 3.96Å; F255-V326 HydrophobicContact CB-CG2 3.71Å; F255-V326 HydrophobicContact CD1-CG2 4.5Å; F255-V326 HydrophobicContact CG-CG2 4.17Å; F255-V326 WeakPolarHBondContact O-CG2 3.45Å
256	A	98.7	Very high	97.8	Very high	15 Å²	15	37.3 Å²	37.3	12%	0.124	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-42.6	173.6	0	0	0	0	0	111.9	N252 L253 K258 Q259 R260 V266 M270	N252-A256 PolarHBondContact O-N 2.84Å; L253-A256 PolarHBondContact O-N 2.86Å; A256-K258 VanDerWaalsContact C-N 3.32Å; A256-K258 PolarHBondContact O-N 3.23Å; A256-Q259 PolarHBondContact O-N 3.26Å; A256-R260 PolarHBondContact O-N 2.94Å; A256-V266 HydrophobicContact CB-CG1 4.37Å; A256-M270 HydrophobicContact CB-CG 3.78Å; A256-M270 HydrophobicContact CB-SD 4.23Å
257	A	98.6	Very high	97.9	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-41.7	174.2	0	0	0	0	0	111.8	P170 T171 L253 S254 F255 R260 E261	P170-A257 HydrophobicContact CB-CB 3.79Å; T171-A257 HydrophobicContact CG2-CB 4.1Å; L253-A257 WeakPolarHBondContact O-CB 3.3Å; L253-A257 PolarHBondContact O-N 3.46Å; S254-A257 PolarHBondContact O-N 3.44Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.39Å; A257-R260 WeakPolarHBondContact O-CB 3.19Å; A257-R260 PolarHBondContact O-N 2.74Å; A257-E261 PolarHBondContact O-N 2.99Å
258	K	98.7	Very high	98	Very high	25 Å²	25	38.7 Å²	38.7	11%	0.109	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-40.9	177.2	-170.7	73.1	179.2	-178.5	0	112.2	T171 F174 D175 S254 F255 A256 R260 E261 L262 V326	T171-K258 HydrophobicContact CG2-CB 4.17Å; T171-K258 HydrophobicContact CG2-CD 3.98Å; F174-K258 HydrophobicContact CB-CB 4.09Å; F174-K258 HydrophobicContact CB-CD 4.49Å; F174-K258 HydrophobicContact CB-CG 4.26Å; F174-K258 HydrophobicContact CD1-CB 4.15Å; F174-K258 HydrophobicContact CD1-CD 3.48Å; F174-K258 VanDerWaalsContact CD1-CD 3.48Å; F174-K258 HydrophobicContact CD1-CG 3.38Å; F174-K258 HydrophobicContact CD2-CB 4.3Å; F174-K258 HydrophobicContact CD2-CG 4.14Å; F174-K258 HydrophobicContact CE1-CD 3.92Å; F174-K258 HydrophobicContact CE1-CG 3.64Å; F174-K258 HydrophobicContact CE2-CG 4.35Å; F174-K258 HydrophobicContact CG-CB 3.91Å; F174-K258 HydrophobicContact CG-CD 4.1Å; F174-K258 HydrophobicContact CG-CG 3.65Å; F174-K258 HydrophobicContact CZ-CG 4.11Å; D175-K258 WeakPolarHBondContact OD1-CE 3.33Å; D175-K258 IonicContact OD1-NZ 3.23Å; D175-K258 PolarHBondContact OD1-NZ 2.85Å; S254-K258 WeakPolarHBondContact O-CB 2.84Å; S254-K258 PolarHBondContact O-N 3.32Å; F255-K258 PolarHBondContact O-N 3.41Å; A256-K258 VanDerWaalsContact C-N 3.32Å; A256-K258 PolarHBondContact O-N 3.23Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 2.87Å; K258-E261 WeakPolarHBondContact CE-OE1 3.32Å; K258-E261 IonicContact NZ-OE1 2.75Å; K258-E261 PolarHBondContact NZ-OE1 3.09Å; K258-E261 WeakPolarHBondContact O-CB 3.15Å; K258-E261 PolarHBondContact O-N 2.76Å; K258-E261 VanDerWaalsContact O-N 3.13Å; K258-L262 HydrophobicContact CD-CG 4.47Å; K258-L262 HydrophobicContact CG-CD1 4Å; K258-L262 HydrophobicContact CG-CG 4.27Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 3.42Å; K258-V326 HydrophobicContact CB-CG1 4.11Å; K258-V326 HydrophobicContact CB-CG2 4.5Å; K258-V326 HydrophobicContact CG-CG1 3.69Å
259	Q	98.6	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-42.5	174.7	-170.2	-175.9	68.5	0	0	110.6	F255 A256 E261 L262 H263 T267 M270 L325	F255-Q259 PolarHBondContact O-N 3.19Å; A256-Q259 PolarHBondContact O-N 3.26Å; Q259-E261 PolarHBondContact O-N 2.91Å; Q259-L262 PolarHBondContact O-N 2.99Å; Q259-H263 WeakPolarHBondContact O-CB 3.22Å; Q259-H263 PolarHBondContact O-CD2 2.77Å; Q259-H263 PolarHBondContact O-N 3.35Å; Q259-T267 PolarHBondContact NE2-OG1 3.39Å; Q259-T267 VanDerWaalsContact NE2-OG1 3.08Å; Q259-T267 PolarHBondContact OE1-OG1 2.89Å; Q259-M270 HydrophobicContact CB-CE 4.01Å; Q259-L325 PolarHBondContact NE2-O 3.48Å
260	R	98.1	Very high	98.1	Very high	143 Å²	143	38.2 Å²	38.2	54%	0.54	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-41.5	174.8	-163.4	-178.5	77.2	-153.9	5.1	112.6	A256 A257 K258 S264 V266	A256-R260 PolarHBondContact O-N 2.94Å; A257-R260 WeakPolarHBondContact O-CB 3.19Å; A257-R260 PolarHBondContact O-N 2.74Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 2.87Å; R260-S264 WeakPolarHBondContact O-CA 3.4Å; R260-S264 PolarHBondContact O-N 3.41Å; R260-V266 HydrophobicContact CB-CG2 3.74Å; R260-V266 HydrophobicContact CG-CG2 4.21Å
261	E	98.1	Very high	98.2	Very high	105 Å²	105	41.1 Å²	41.1	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-45.7	178	-176.5	-176	91.2	0	0	111.8	T171 A257 K258 Q259	T171-E261 HydrophobicContact CG2-CB 4.39Å; A257-E261 PolarHBondContact O-N 2.99Å; K258-E261 WeakPolarHBondContact CE-OE1 3.32Å; K258-E261 IonicContact NZ-OE1 2.75Å; K258-E261 PolarHBondContact NZ-OE1 3.09Å; K258-E261 WeakPolarHBondContact O-CB 3.15Å; K258-E261 PolarHBondContact O-N 2.76Å; K258-E261 VanDerWaalsContact O-N 3.13Å; Q259-E261 PolarHBondContact O-N 2.91Å
262	L	97.9	Very high	98.2	Very high	89 Å²	89	41.7 Å²	41.7	47%	0.466	22%	0.218	S	C	.	.	H	α-helix	trans	-76.3	-36.8	-176.4	-66.2	177.3	0	0	0	113.2	K258 Q259 V326	K258-L262 HydrophobicContact CD-CG 4.47Å; K258-L262 HydrophobicContact CG-CD1 4Å; K258-L262 HydrophobicContact CG-CG 4.27Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 3.42Å; Q259-L262 PolarHBondContact O-N 2.99Å; L262-V326 HydrophobicContact CD1-CG1 3.76Å
263	H	97.3	Very high	98.2	Very high	61 Å²	61	41.7 Å²	41.7	28%	0.282	22%	0.218	S	C	.	.	H	α-helix	trans	-116.8	4.4	-168.9	-53.7	-71.6	0	0	0	113.5	Q259 H265 V326	Q259-H263 WeakPolarHBondContact O-CB 3.22Å; Q259-H263 PolarHBondContact O-CD2 2.77Å; Q259-H263 PolarHBondContact O-N 3.35Å; H263-H265 PolarHBondContact O-N 2.97Å; H263-H265 PolarHBondContact O-ND1 3.31Å; H263-V326 PolarHBondContact NE2-O 2.8Å
264	S	95.7	Very high	98.2	Very high	111 Å²	111	41 Å²	41	78%	0.776	22%	0.215	S	C	*	.	S	Bend	trans	61.8	3	-176.5	-56.2	0	0	0	0	116	R260	R260-S264 WeakPolarHBondContact O-CA 3.4Å; R260-S264 PolarHBondContact O-N 3.41Å
265	H	96.1	Very high	98.2	Very high	94 Å²	94	44.2 Å²	44.2	44%	0.435	23%	0.234	S	C	.	.	S	Bend	trans	-152.6	163.4	176.7	67.5	-74.7	0	0	0	111.1	H263	H263-H265 PolarHBondContact O-N 2.97Å; H263-H265 PolarHBondContact O-ND1 3.31Å
266	V	98.4	Very high	98.2	Very high	52 Å²	52	44.5 Å²	44.5	32%	0.315	24%	0.236	S	C	.	.			trans	-106.8	125.5	171.3	-175.9	0	0	0	0	108.1	A256 R260 M270 V271	A256-V266 HydrophobicContact CB-CG1 4.37Å; R260-V266 HydrophobicContact CB-CG2 3.74Å; R260-V266 HydrophobicContact CG-CG2 4.21Å; V266-M270 HydrophobicContact CG1-CB 3.79Å; V266-M270 HydrophobicContact CG1-CG 3.68Å; V266-V271 HydrophobicContact CG1-CG2 3.94Å
267	T	98.6	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.			trans	-70.1	155.1	-179.3	56.1	0	0	0	0	112.4	Q259 A269 M270 V271 P329 V330	Q259-T267 PolarHBondContact NE2-OG1 3.39Å; Q259-T267 VanDerWaalsContact NE2-OG1 3.08Å; Q259-T267 PolarHBondContact OE1-OG1 2.89Å; T267-A269 PolarHBondContact O-N 3.46Å; T267-M270 PolarHBondContact O-N 3.05Å; T267-M270 WeakPolarHBondContact OG1-CB 3.03Å; T267-M270 PolarHBondContact OG1-N 3.4Å; T267-V271 PolarHBondContact O-N 2.86Å; T267-V271 VanDerWaalsContact O-N 3.15Å; T267-P329 HydrophobicContact CG2-CB 3.72Å; T267-V330 VanDerWaalsContact CB-O 3.25Å; T267-V330 WeakPolarHBondContact CB-O 3.37Å
268	N	98.3	Very high	98.1	Very high	40 Å²	40	44.3 Å²	44.3	21%	0.214	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-30.8	176	66.4	2.4	0	0	0	112.6	V271 L272 Q331 L332	N268-V271 PolarHBondContact O-N 3.11Å; N268-L272 WeakPolarHBondContact O-CB 3.28Å; N268-L272 VanDerWaalsContact O-CG 3.32Å; N268-L272 WeakPolarHBondContact O-CG 3.36Å; N268-L272 PolarHBondContact O-N 3.29Å; N268-Q331 VanDerWaalsContact N-OE1 3.08Å; N268-Q331 PolarHBondContact ND2-NE2 2.71Å; N268-L332 PolarHBondContact ND2-O 3.08Å; N268-L332 PolarHBondContact OD1-N 2.98Å
269	A	98.6	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-46.8	174	0	0	0	0	0	111.7	T267 V271 L272 V273 L325 V330 L332 A421	T267-A269 PolarHBondContact O-N 3.46Å; A269-V271 VanDerWaalsContact C-N 3.32Å; A269-V271 PolarHBondContact O-N 3.13Å; A269-L272 PolarHBondContact O-N 3.4Å; A269-V273 WeakPolarHBondContact O-CG2 3.44Å; A269-V273 PolarHBondContact O-N 3.25Å; A269-L325 HydrophobicContact CB-CD1 4.05Å; A269-L325 HydrophobicContact CB-CD2 3.81Å; A269-V330 HydrophobicContact CB-CB 4.21Å; A269-V330 HydrophobicContact CB-CG1 4.41Å; A269-V330 WeakPolarHBondContact CB-O 3.37Å; A269-L332 HydrophobicContact CB-CD1 4.35Å; A269-L332 HydrophobicContact CB-CG 4.38Å; A269-A421 WeakPolarHBondContact CB-O 3.35Å
270	M	98.8	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-42.9	177.9	179.9	65.4	84.4	0	0	111	F255 A256 Q259 V266 T267 N274 G322 L325 V326	F255-M270 HydrophobicContact CB-CE 4.21Å; A256-M270 HydrophobicContact CB-CG 3.78Å; A256-M270 HydrophobicContact CB-SD 4.23Å; Q259-M270 HydrophobicContact CB-CE 4.01Å; V266-M270 HydrophobicContact CG1-CB 3.79Å; V266-M270 HydrophobicContact CG1-CG 3.68Å; T267-M270 PolarHBondContact O-N 3.05Å; T267-M270 WeakPolarHBondContact OG1-CB 3.03Å; T267-M270 PolarHBondContact OG1-N 3.4Å; M270-N274 WeakPolarHBondContact O-CB 3.42Å; M270-N274 PolarHBondContact O-N 3.43Å; M270-N274 PolarHBondContact O-ND2 3.37Å; M270-N274 PolarHBondContact SD-ND2 3.1Å; M270-N274 VanDerWaalsContact SD-ND2 3.38Å; M270-G322 WeakPolarHBondContact CE-O 3.38Å; M270-L325 HydrophobicContact CB-CD1 4.31Å; M270-L325 HydrophobicContact CE-CB 3.59Å; M270-L325 HydrophobicContact SD-CB 4.33Å; M270-L325 HydrophobicContact SD-CD1 4.49Å; M270-V326 HydrophobicContact CE-CG2 3.99Å
271	V	98.6	Very high	98	Very high	73 Å²	73	41.2 Å²	41.2	44%	0.442	23%	0.226	S	C	.	.	H	α-helix	trans	-61.5	-46.5	175.2	176.7	0	0	0	0	111.1	V266 T267 N268 A269 V273 N274 V275	V266-V271 HydrophobicContact CG1-CG2 3.94Å; T267-V271 PolarHBondContact O-N 2.86Å; T267-V271 VanDerWaalsContact O-N 3.15Å; N268-V271 PolarHBondContact O-N 3.11Å; A269-V271 VanDerWaalsContact C-N 3.32Å; A269-V271 PolarHBondContact O-N 3.13Å; V271-V273 PolarHBondContact O-N 3.34Å; V271-N274 PolarHBondContact O-N 2.87Å; V271-V275 HydrophobicContact CG1-CG2 4.14Å; V271-V275 WeakPolarHBondContact O-CB 3.34Å; V271-V275 VanDerWaalsContact O-CG2 3.3Å; V271-V275 WeakPolarHBondContact O-CG2 3.44Å; V271-V275 PolarHBondContact O-N 3.34Å
272	L	98.4	Very high	97.9	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.105	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-47.4	179.3	-77.7	171.6	0	0	0	112.4	N268 A269 N274 V275 L276 L332 A337 V340 L341	N268-L272 WeakPolarHBondContact O-CB 3.28Å; N268-L272 VanDerWaalsContact O-CG 3.32Å; N268-L272 WeakPolarHBondContact O-CG 3.36Å; N268-L272 PolarHBondContact O-N 3.29Å; A269-L272 PolarHBondContact O-N 3.4Å; L272-N274 PolarHBondContact O-N 2.73Å; L272-V275 PolarHBondContact O-N 2.97Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.42Å; L272-L276 PolarHBondContact O-N 3.12Å; L272-L332 HydrophobicContact CD1-CD1 3.99Å; L272-A337 HydrophobicContact CD1-CB 3.97Å; L272-V340 HydrophobicContact CD1-CG1 4.42Å; L272-L341 HydrophobicContact CD2-CB 3.87Å; L272-L341 HydrophobicContact CD2-CD1 3.99Å; L272-L341 HydrophobicContact CD2-CG 4.37Å
273	V	98.6	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-48.7	176.8	171.6	0	0	0	0	110.4	A269 V271 V275 Q277 Q321 L325 A421	A269-V273 WeakPolarHBondContact O-CG2 3.44Å; A269-V273 PolarHBondContact O-N 3.25Å; V271-V273 PolarHBondContact O-N 3.34Å; V273-V275 PolarHBondContact O-N 2.82Å; V273-Q277 HydrophobicContact CG1-CG 4.38Å; V273-Q277 VanDerWaalsContact O-CB 3.31Å; V273-Q277 WeakPolarHBondContact O-CB 3.38Å; V273-Q277 VanDerWaalsContact O-CG 3.32Å; V273-Q277 WeakPolarHBondContact O-CG 3.45Å; V273-Q277 PolarHBondContact O-N 3.15Å; V273-Q321 HydrophobicContact CG1-CB 3.91Å; V273-Q321 HydrophobicContact CG2-CB 4.12Å; V273-L325 HydrophobicContact CB-CD1 4.47Å; V273-L325 HydrophobicContact CG2-CD1 3.87Å; V273-A421 HydrophobicContact CG2-CB 3.55Å
274	N	98.5	Very high	97.7	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-48.2	179.1	-88.5	-90.2	0	0	0	112.1	N252 M270 V271 L272 A278	N252-N274 VanDerWaalsContact C-OD1 3.24Å; N252-N274 VanDerWaalsContact CB-OD1 3.23Å; N252-N274 WeakPolarHBondContact CB-OD1 3.29Å; N252-N274 PolarHBondContact O-OD1 3.2Å; M270-N274 WeakPolarHBondContact O-CB 3.42Å; M270-N274 PolarHBondContact O-N 3.43Å; M270-N274 PolarHBondContact O-ND2 3.37Å; M270-N274 PolarHBondContact SD-ND2 3.1Å; M270-N274 VanDerWaalsContact SD-ND2 3.38Å; V271-N274 PolarHBondContact O-N 2.87Å; L272-N274 PolarHBondContact O-N 2.73Å; N274-A278 WeakPolarHBondContact O-CB 3.11Å; N274-A278 PolarHBondContact O-N 3.44Å
275	V	98.4	Very high	97.8	Very high	67 Å²	67	28.6 Å²	28.6	41%	0.406	15%	0.153	S	C	.	.	H	α-helix	trans	-64.9	-49.1	-178.5	168	0	0	0	0	111	V271 L272 V273 A278 I279	V271-V275 HydrophobicContact CG1-CG2 4.14Å; V271-V275 WeakPolarHBondContact O-CB 3.34Å; V271-V275 VanDerWaalsContact O-CG2 3.3Å; V271-V275 WeakPolarHBondContact O-CG2 3.44Å; V271-V275 PolarHBondContact O-N 3.34Å; L272-V275 PolarHBondContact O-N 2.97Å; V273-V275 PolarHBondContact O-N 2.82Å; V275-A278 PolarHBondContact O-N 3.04Å; V275-I279 HydrophobicContact CG1-CD1 4.01Å; V275-I279 VanDerWaalsContact O-CG1 3.32Å; V275-I279 WeakPolarHBondContact O-CG1 3.3Å; V275-I279 PolarHBondContact O-N 3.39Å
276	L	98.4	Very high	97.7	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-42	-177	-68.1	174.2	0	0	0	111.8	L272 I279 Y280 V340 L341 L345 A417 Y418	L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.42Å; L272-L276 PolarHBondContact O-N 3.12Å; L276-I279 PolarHBondContact O-N 2.87Å; L276-Y280 PolarHBondContact O-N 3.49Å; L276-V340 HydrophobicContact CD1-CG1 4.39Å; L276-L341 HydrophobicContact CD2-CD1 4.13Å; L276-L345 HydrophobicContact CD2-CD2 4.47Å; L276-A417 HydrophobicContact CD1-CB 4.09Å; L276-Y418 HydrophobicContact CB-CD1 3.91Å; L276-Y418 HydrophobicContact CB-CE1 3.61Å; L276-Y418 HydrophobicContact CD1-CD1 4.38Å
277	Q	98.4	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.1	-35.7	175.2	-67.1	-174.2	-12.2	0	0	111.8	W248 N252 V273 Y280 V281 Y318 Y418	W248-Q277 HydrophobicContact CZ2-CB 3.89Å; W248-Q277 HydrophobicContact CZ2-CG 3.7Å; N252-Q277 PolarHBondContact ND2-OE1 2.69Å; V273-Q277 HydrophobicContact CG1-CG 4.38Å; V273-Q277 VanDerWaalsContact O-CB 3.31Å; V273-Q277 WeakPolarHBondContact O-CB 3.38Å; V273-Q277 VanDerWaalsContact O-CG 3.32Å; V273-Q277 WeakPolarHBondContact O-CG 3.45Å; V273-Q277 PolarHBondContact O-N 3.15Å; Q277-Y280 WeakPolarHBondContact O-CB 3.45Å; Q277-Y280 PolarHBondContact O-N 3.41Å; Q277-V281 WeakPolarHBondContact O-CG2 3.39Å; Q277-V281 PolarHBondContact O-N 2.92Å; Q277-Y318 PolarHBondContact NE2-O 3.35Å; Q277-Y418 HydrophobicContact CG-CD1 4.01Å; Q277-Y418 HydrophobicContact CG-CD2 3.9Å; Q277-Y418 HydrophobicContact CG-CE1 3.97Å; Q277-Y418 HydrophobicContact CG-CE2 3.83Å; Q277-Y418 HydrophobicContact CG-CG 4Å
278	A	98.1	Very high	97.3	Very high	23 Å²	23	28.1 Å²	28.1	19%	0.19	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-40.2	174	0	0	0	0	0	112.3	T249 N274 V275 Y280 V281 I282	T249-A278 HydrophobicContact CG2-CB 4.22Å; N274-A278 WeakPolarHBondContact O-CB 3.11Å; N274-A278 PolarHBondContact O-N 3.44Å; V275-A278 PolarHBondContact O-N 3.04Å; A278-Y280 VanDerWaalsContact C-N 3.29Å; A278-Y280 PolarHBondContact O-N 2.9Å; A278-V281 PolarHBondContact O-N 3.41Å; A278-I282 HydrophobicContact CB-CD1 4.48Å; A278-I282 WeakPolarHBondContact O-CB 3.29Å; A278-I282 WeakPolarHBondContact O-CD1 3.26Å; A278-I282 WeakPolarHBondContact O-CG1 3.3Å; A278-I282 PolarHBondContact O-N 3Å
279	I	98.1	Very high	97.1	Very high	50 Å²	50	27 Å²	27	26%	0.256	14%	0.14	S	C	.	.	H	α-helix	trans	-55.5	-48.4	172.8	-71.6	165.2	0	0	0	109.7	V275 L276 D283 L345 Y348	V275-I279 HydrophobicContact CG1-CD1 4.01Å; V275-I279 VanDerWaalsContact O-CG1 3.32Å; V275-I279 WeakPolarHBondContact O-CG1 3.3Å; V275-I279 PolarHBondContact O-N 3.39Å; L276-I279 PolarHBondContact O-N 2.87Å; I279-D283 WeakPolarHBondContact O-CB 3.36Å; I279-D283 PolarHBondContact O-N 3.35Å; I279-L345 HydrophobicContact CD1-CD2 3.86Å; I279-Y348 HydrophobicContact CG2-CD1 3.98Å; I279-Y348 HydrophobicContact CG2-CD2 3.75Å; I279-Y348 HydrophobicContact CG2-CE1 4.05Å; I279-Y348 HydrophobicContact CG2-CE2 3.83Å; I279-Y348 HydrophobicContact CG2-CG 3.83Å
280	Y	96.8	Very high	96.6	Very high	53 Å²	53	30.7 Å²	30.7	21%	0.208	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-46	178.8	-174.2	-83.6	0	0	0	112.6	W248 L276 Q277 A278 D283 F284 D411	W248-Y280 AromaticContact CH2-CD1 3.89Å; W248-Y280 HydrophobicContact CH2-CD1 3.89Å; W248-Y280 HydrophobicContact CH2-CE1 4.32Å; W248-Y280 AromaticContact CZ3-CD1 3.65Å; W248-Y280 HydrophobicContact CZ3-CD1 3.65Å; W248-Y280 AromaticContact CZ3-CE1 3.96Å; W248-Y280 HydrophobicContact CZ3-CE1 3.96Å; L276-Y280 PolarHBondContact O-N 3.49Å; Q277-Y280 WeakPolarHBondContact O-CB 3.45Å; Q277-Y280 PolarHBondContact O-N 3.41Å; A278-Y280 VanDerWaalsContact C-N 3.29Å; A278-Y280 PolarHBondContact O-N 2.9Å; Y280-D283 PolarHBondContact O-N 3.41Å; Y280-F284 PolarHBondContact O-N 3.45Å; Y280-D411 WeakPolarHBondContact CE2-OD1 3.35Å
281	V	97.4	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-43.3	-178.8	168.6	0	0	0	0	112.4	I245 W248 T249 Q277 A278 D283 F284 F285	I245-V281 HydrophobicContact CG2-CB 4.43Å; I245-V281 HydrophobicContact CG2-CG1 3.78Å; I245-V281 HydrophobicContact CG2-CG2 4.12Å; W248-V281 HydrophobicContact CD2-CG2 3.81Å; W248-V281 HydrophobicContact CE3-CG2 3.26Å; W248-V281 HydrophobicContact CG-CG2 4.37Å; W248-V281 HydrophobicContact CZ3-CG2 3.67Å; T249-V281 HydrophobicContact CG2-CB 3.79Å; T249-V281 HydrophobicContact CG2-CG1 3.87Å; T249-V281 HydrophobicContact CG2-CG2 3.92Å; Q277-V281 WeakPolarHBondContact O-CG2 3.39Å; Q277-V281 PolarHBondContact O-N 2.92Å; A278-V281 PolarHBondContact O-N 3.41Å; V281-D283 VanDerWaalsContact C-N 3.31Å; V281-D283 PolarHBondContact O-N 3.46Å; V281-F284 WeakPolarHBondContact O-CB 3.39Å; V281-F284 PolarHBondContact O-N 3.46Å; V281-F285 HydrophobicContact CG1-CD2 3.9Å; V281-F285 HydrophobicContact CG1-CE2 3.67Å; V281-F285 VanDerWaalsContact O-CD2 3.28Å; V281-F285 WeakPolarHBondContact O-CD2 3.24Å; V281-F285 PolarHBondContact O-N 3.36Å
282	I	97.1	Very high	95.8	Very high	62 Å²	62	28.2 Å²	28.2	32%	0.318	14%	0.137	S	C	.	.	H	α-helix	trans	-65.4	-41.1	177.1	-66.9	166.2	0	0	0	109.8	W151 A278 F284 F285 W286	W151-I282 HydrophobicContact CE3-CG1 4.49Å; W151-I282 HydrophobicContact CH2-CD1 3.62Å; W151-I282 HydrophobicContact CH2-CG1 3.73Å; W151-I282 HydrophobicContact CZ2-CD1 3.99Å; W151-I282 HydrophobicContact CZ2-CG1 3.76Å; W151-I282 HydrophobicContact CZ3-CD1 4.2Å; W151-I282 HydrophobicContact CZ3-CG1 4.09Å; A278-I282 HydrophobicContact CB-CD1 4.48Å; A278-I282 WeakPolarHBondContact O-CB 3.29Å; A278-I282 WeakPolarHBondContact O-CD1 3.26Å; A278-I282 WeakPolarHBondContact O-CG1 3.3Å; A278-I282 PolarHBondContact O-N 3Å; I282-F284 VanDerWaalsContact C-N 3.32Å; I282-F284 PolarHBondContact O-N 3.44Å; I282-F285 PolarHBondContact O-N 3.01Å; I282-W286 WeakPolarHBondContact O-CB 3.42Å; I282-W286 PolarHBondContact O-N 3.31Å
283	D	95.9	Very high	95.3	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.064	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-38.1	175.4	179.6	75	0	0	0	112.5	I279 Y280 V281 N287 Y348 R352	I279-D283 WeakPolarHBondContact O-CB 3.36Å; I279-D283 PolarHBondContact O-N 3.35Å; Y280-D283 PolarHBondContact O-N 3.41Å; V281-D283 VanDerWaalsContact C-N 3.31Å; V281-D283 PolarHBondContact O-N 3.46Å; D283-N287 WeakPolarHBondContact O-CB 3.23Å; D283-N287 PolarHBondContact O-N 3.38Å; D283-N287 VanDerWaalsContact O-N 3.14Å; D283-N287 PolarHBondContact O-ND2 3.48Å; D283-Y348 HydrophobicContact CB-CE2 3.76Å; D283-Y348 VanDerWaalsContact CG-CE2 3.4Å; D283-Y348 PolarHBondContact OD1-OH 2.94Å; D283-R352 IonicContact OD1-CZ 3.69Å; D283-R352 IonicContact OD1-NE 3.87Å; D283-R352 PolarHBondContact OD1-NE 3.03Å; D283-R352 IonicContact OD1-NH2 3.82Å; D283-R352 PolarHBondContact OD1-NH2 3.34Å; D283-R352 IonicContact OD2-CZ 3.32Å; D283-R352 IonicContact OD2-NE 2.93Å; D283-R352 PolarHBondContact OD2-NE 2.59Å; D283-R352 IonicContact OD2-NH2 3.22Å; D283-R352 PolarHBondContact OD2-NH2 2.69Å
284	F	95.3	Very high	94.8	Very high	27 Å²	27	33.3 Å²	33.3	12%	0.118	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-51.6	169.9	171.1	-90.3	0	0	0	111.3	I245 Y280 V281 I282 N287 E288 Y291	I245-F284 HydrophobicContact CD1-CD1 4.01Å; I245-F284 HydrophobicContact CD1-CD2 4.15Å; I245-F284 HydrophobicContact CD1-CE1 3.63Å; I245-F284 HydrophobicContact CD1-CE2 3.76Å; I245-F284 HydrophobicContact CD1-CG 4.27Å; I245-F284 HydrophobicContact CD1-CZ 3.49Å; I245-F284 VanDerWaalsContact CD1-CZ 3.49Å; I245-F284 HydrophobicContact CG2-CD1 3.94Å; I245-F284 HydrophobicContact CG2-CE1 4.27Å; Y280-F284 PolarHBondContact O-N 3.45Å; V281-F284 WeakPolarHBondContact O-CB 3.39Å; V281-F284 PolarHBondContact O-N 3.46Å; I282-F284 VanDerWaalsContact C-N 3.32Å; I282-F284 PolarHBondContact O-N 3.44Å; F284-N287 CarbonylContact O-C 3.59Å; F284-N287 PolarHBondContact O-N 3.17Å; F284-N287 VanDerWaalsContact O-N 3.09Å; F284-E288 WeakPolarHBondContact O-CA 3.45Å; F284-E288 PolarHBondContact O-N 3.38Å; F284-Y291 HydrophobicContact CD2-CD2 4.41Å; F284-Y291 HydrophobicContact CE2-CD1 4.44Å; F284-Y291 AromaticContact CE2-CD2 3.49Å; F284-Y291 HydrophobicContact CE2-CD2 3.49Å; F284-Y291 VanDerWaalsContact CE2-CD2 3.49Å; F284-Y291 AromaticContact CE2-CE2 3.89Å; F284-Y291 HydrophobicContact CE2-CE2 3.89Å; F284-Y291 AromaticContact CE2-CG 3.8Å; F284-Y291 HydrophobicContact CE2-CG 3.8Å; F284-Y291 HydrophobicContact CZ-CD1 4.38Å; F284-Y291 HydrophobicContact CZ-CD2 4.21Å; F284-Y291 HydrophobicContact CZ-CG 4.11Å
285	F	96.4	Very high	94.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.4	-34.2	-177.9	-74.5	-57.6	0	0	0	113.9	Y125 L148 W151 G241 I245 V246 V281 I282 N287 E288	Y125-F285 WeakPolarHBondContact CE2-O 3.23Å; L148-F285 HydrophobicContact CB-CB 4.09Å; L148-F285 HydrophobicContact CD1-CB 4.14Å; W151-F285 HydrophobicContact CB-CD2 3.89Å; W151-F285 HydrophobicContact CB-CE2 4.05Å; W151-F285 HydrophobicContact CB-CG 4.43Å; W151-F285 AromaticContact CD1-CD2 3.73Å; W151-F285 AromaticContact CD1-CE2 3.48Å; W151-F285 VanDerWaalsContact CD1-CE2 3.48Å; W151-F285 AromaticContact CG-CD2 3.87Å; W151-F285 HydrophobicContact CG-CD2 3.87Å; W151-F285 AromaticContact CG-CE2 3.99Å; W151-F285 HydrophobicContact CG-CE2 3.99Å; G241-F285 WeakPolarHBondContact O-CZ 3.26Å; I245-F285 HydrophobicContact CB-CZ 4.16Å; I245-F285 HydrophobicContact CG2-CE2 3.7Å; I245-F285 HydrophobicContact CG2-CZ 3.72Å; V246-F285 HydrophobicContact CB-CZ 4.44Å; V246-F285 HydrophobicContact CG2-CE1 4.21Å; V246-F285 HydrophobicContact CG2-CE2 3.88Å; V246-F285 HydrophobicContact CG2-CZ 3.38Å; V281-F285 HydrophobicContact CG1-CD2 3.9Å; V281-F285 HydrophobicContact CG1-CE2 3.67Å; V281-F285 VanDerWaalsContact O-CD2 3.28Å; V281-F285 WeakPolarHBondContact O-CD2 3.24Å; V281-F285 PolarHBondContact O-N 3.36Å; I282-F285 PolarHBondContact O-N 3.01Å; F285-N287 PolarHBondContact O-N 3.47Å; F285-E288 WeakPolarHBondContact O-CB 3.35Å; F285-E288 PolarHBondContact O-N 2.9Å
286	W	95.5	Very high	93.7	Very high	93 Å²	93	30.6 Å²	30.6	35%	0.352	14%	0.143	S	C	.	.	H	α-helix	trans	-59.8	-31.2	170.8	-172.3	-81.4	0	0	0	111.3	L122 Y125 L148 I282	L122-W286 HydrophobicContact CB-CH2 4.18Å; L122-W286 HydrophobicContact CD1-CH2 4.34Å; L122-W286 HydrophobicContact CD1-CZ3 3.92Å; Y125-W286 HydrophobicContact CD2-CD2 4.3Å; Y125-W286 HydrophobicContact CD2-CG 4.4Å; Y125-W286 WeakPolarHBondContact CD2-O 3.18Å; Y125-W286 WeakPolarHBondContact CE2-O 3.43Å; L148-W286 HydrophobicContact CD2-CE3 3.76Å; L148-W286 HydrophobicContact CD2-CZ3 4.21Å; I282-W286 WeakPolarHBondContact O-CB 3.42Å; I282-W286 PolarHBondContact O-N 3.31Å
287	N	93.4	Very high	93.3	Very high	42 Å²	42	30.5 Å²	30.5	23%	0.225	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	25.5	-178	-62.4	-92	0	0	0	112.7	D283 F284 F285 T289 W290 R352	D283-N287 WeakPolarHBondContact O-CB 3.23Å; D283-N287 PolarHBondContact O-N 3.38Å; D283-N287 VanDerWaalsContact O-N 3.14Å; D283-N287 PolarHBondContact O-ND2 3.48Å; F284-N287 CarbonylContact O-C 3.59Å; F284-N287 PolarHBondContact O-N 3.17Å; F284-N287 VanDerWaalsContact O-N 3.09Å; F285-N287 PolarHBondContact O-N 3.47Å; N287-T289 PolarHBondContact O-N 3.04Å; N287-T289 VanDerWaalsContact O-N 3.15Å; N287-W290 HydrophobicContact CB-CB 4.49Å; N287-W290 WeakPolarHBondContact O-CA 3.41Å; N287-W290 VanDerWaalsContact O-CB 3.25Å; N287-W290 WeakPolarHBondContact O-CB 3.48Å; N287-W290 PolarHBondContact O-N 2.69Å; N287-R352 PolarHBondContact ND2-NH1 3.5Å; N287-R352 VanDerWaalsContact ND2-NH1 3.2Å; N287-R352 PolarHBondContact ND2-NH2 2.82Å; N287-R352 PolarHBondContact OD1-NH1 2.6Å
288	E	94.8	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-35.4	-174.5	-176.2	-178.8	-152.4	0	0	111.9	I145 G147 L237 R242 F284 F285 W290 Y291	I145-E288 HydrophobicContact CD1-CG 4.39Å; I145-E288 HydrophobicContact CG2-CB 3.78Å; I145-E288 HydrophobicContact CG2-CG 3.94Å; I145-E288 VanDerWaalsContact CG2-OE2 3.24Å; I145-E288 WeakPolarHBondContact CG2-OE2 3.3Å; G147-E288 WeakPolarHBondContact CA-OE2 3.44Å; G147-E288 PolarHBondContact N-OE2 3.5Å; L237-E288 HydrophobicContact CD1-CG 4.39Å; R242-E288 IonicContact CZ-OE1 2.87Å; R242-E288 VanDerWaalsContact CZ-OE1 3.23Å; R242-E288 IonicContact NH1-OE1 2.73Å; R242-E288 PolarHBondContact NH1-OE1 3.01Å; R242-E288 IonicContact NH2-OE1 3.44Å; R242-E288 PolarHBondContact NH2-OE1 2.89Å; R242-E288 IonicContact NH2-OE2 2.82Å; F284-E288 WeakPolarHBondContact O-CA 3.45Å; F284-E288 PolarHBondContact O-N 3.38Å; F285-E288 WeakPolarHBondContact O-CB 3.35Å; F285-E288 PolarHBondContact O-N 2.9Å; E288-W290 PolarHBondContact O-N 3.22Å; E288-Y291 WeakPolarHBondContact O-CA 3.26Å; E288-Y291 WeakPolarHBondContact O-CB 3.44Å; E288-Y291 PolarHBondContact O-N 3.13Å
289	T	92.7	Very high	92.2	Very high	18 Å²	18	33.9 Å²	33.9	11%	0.11	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-33.2	174.3	-63.1	0	0	0	0	113.1	V126 Q130 N287 Y291 L292	V126-T289 HydrophobicContact CG1-CG2 3.91Å; V126-T289 PolarHBondContact O-OG1 3.48Å; Q130-T289 HydrophobicContact CB-CG2 4.18Å; Q130-T289 HydrophobicContact CG-CG2 3.9Å; N287-T289 PolarHBondContact O-N 3.04Å; N287-T289 VanDerWaalsContact O-N 3.15Å; T289-Y291 PolarHBondContact O-N 3.41Å; T289-L292 WeakPolarHBondContact O-CB 3.12Å; T289-L292 PolarHBondContact O-N 3.3Å
290	W	88	Confident	91.8	Very high	76 Å²	76	32.2 Å²	32.2	29%	0.288	15%	0.147	S	C	.	.	H	α-helix	trans	-68	-29	175.1	-179.7	91.6	0	0	0	111.8	N287 E288 L292 K293 T294 N355	N287-W290 HydrophobicContact CB-CB 4.49Å; N287-W290 WeakPolarHBondContact O-CA 3.41Å; N287-W290 VanDerWaalsContact O-CB 3.25Å; N287-W290 WeakPolarHBondContact O-CB 3.48Å; N287-W290 PolarHBondContact O-N 2.69Å; E288-W290 PolarHBondContact O-N 3.22Å; W290-L292 PolarHBondContact O-N 2.86Å; W290-K293 WeakPolarHBondContact O-CB 3.45Å; W290-K293 PolarHBondContact O-N 2.92Å; W290-T294 HydrophobicContact CE3-CG2 4.04Å; W290-T294 HydrophobicContact CH2-CG2 4.13Å; W290-T294 HydrophobicContact CZ3-CG2 3.64Å; W290-N355 WeakPolarHBondContact CZ2-OD1 3.36Å
291	Y	90.1	Very high	91.7	Very high	19 Å²	19	29.9 Å²	29.9	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-60.3	-29.4	176.8	-165.2	-106.9	0	0	0	112.4	L237 N240 F284 E288 T289 K293 T294 D296 I297	L237-Y291 HydrophobicContact CD1-CD1 4.24Å; N240-Y291 HydrophobicContact CB-CE1 4.22Å; N240-Y291 PolarHBondContact ND2-OH 3.28Å; N240-Y291 WeakPolarHBondContact OD1-CE1 3.35Å; N240-Y291 PolarHBondContact OD1-OH 2.87Å; N240-Y291 VanDerWaalsContact OD1-OH 3.05Å; F284-Y291 HydrophobicContact CD2-CD2 4.41Å; F284-Y291 HydrophobicContact CE2-CD1 4.44Å; F284-Y291 AromaticContact CE2-CD2 3.49Å; F284-Y291 HydrophobicContact CE2-CD2 3.49Å; F284-Y291 VanDerWaalsContact CE2-CD2 3.49Å; F284-Y291 AromaticContact CE2-CE2 3.89Å; F284-Y291 HydrophobicContact CE2-CE2 3.89Å; F284-Y291 AromaticContact CE2-CG 3.8Å; F284-Y291 HydrophobicContact CE2-CG 3.8Å; F284-Y291 HydrophobicContact CZ-CD1 4.38Å; F284-Y291 HydrophobicContact CZ-CD2 4.21Å; F284-Y291 HydrophobicContact CZ-CG 4.11Å; E288-Y291 WeakPolarHBondContact O-CA 3.26Å; E288-Y291 WeakPolarHBondContact O-CB 3.44Å; E288-Y291 PolarHBondContact O-N 3.13Å; T289-Y291 PolarHBondContact O-N 3.41Å; Y291-K293 PolarHBondContact O-N 3.43Å; Y291-T294 HydrophobicContact CD2-CG2 3.64Å; Y291-T294 HydrophobicContact CE2-CG2 4.02Å; Y291-T294 HydrophobicContact CG-CG2 4.29Å; Y291-T294 WeakPolarHBondContact O-CB 3.21Å; Y291-T294 WeakPolarHBondContact O-CG2 3.49Å; Y291-T294 PolarHBondContact O-N 3.03Å; Y291-T294 PolarHBondContact O-OG1 3.09Å; Y291-D296 PolarHBondContact OH-OD2 3.25Å; Y291-I297 HydrophobicContact CD1-CD1 4.32Å; Y291-I297 HydrophobicContact CD1-CG1 3.9Å; Y291-I297 HydrophobicContact CE1-CD1 4.06Å; Y291-I297 HydrophobicContact CE1-CG1 3.86Å
292	L	92.3	Very high	91.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.1	174	-58.2	-176.5	0	0	0	114	Q130 Y143 I145 L237 T289 W290 C298	Q130-L292 HydrophobicContact CB-CD1 4.11Å; Y143-L292 HydrophobicContact CD1-CD2 3.8Å; Y143-L292 HydrophobicContact CD2-CD1 3.9Å; Y143-L292 HydrophobicContact CD2-CD2 3.94Å; Y143-L292 HydrophobicContact CE1-CD2 4.07Å; Y143-L292 HydrophobicContact CE2-CD2 4.27Å; Y143-L292 HydrophobicContact CG-CD1 4.09Å; Y143-L292 HydrophobicContact CG-CD2 3.71Å; I145-L292 HydrophobicContact CD1-CD1 4.09Å; I145-L292 HydrophobicContact CD1-CD2 4.26Å; I145-L292 HydrophobicContact CD1-CG 4.3Å; L237-L292 HydrophobicContact CD1-CD2 4.3Å; L237-L292 HydrophobicContact CD2-CD2 4.24Å; T289-L292 WeakPolarHBondContact O-CB 3.12Å; T289-L292 PolarHBondContact O-N 3.3Å; W290-L292 PolarHBondContact O-N 2.86Å; L292-C298 PolarHBondContact O-SG 3.14Å
293	K	88	Confident	91.6	Very high	114 Å²	114	27 Å²	27	50%	0.496	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	2.4	-179.7	-54.3	177.9	-175.1	176.4	0	112.9	W290 Y291 D359	W290-K293 WeakPolarHBondContact O-CB 3.45Å; W290-K293 PolarHBondContact O-N 2.92Å; Y291-K293 PolarHBondContact O-N 3.43Å; K293-D359 IonicContact NZ-OD1 3.66Å
294	T	87.5	Confident	91.7	Very high	12 Å²	12	26.7 Å²	26.7	7%	0.074	12%	0.122	C	C	.	.	S	Bend	trans	-79.3	168.3	-178.3	65.9	0	0	0	0	111.5	W290 Y291 D296 I297 C298	W290-T294 HydrophobicContact CE3-CG2 4.04Å; W290-T294 HydrophobicContact CH2-CG2 4.13Å; W290-T294 HydrophobicContact CZ3-CG2 3.64Å; Y291-T294 HydrophobicContact CD2-CG2 3.64Å; Y291-T294 HydrophobicContact CE2-CG2 4.02Å; Y291-T294 HydrophobicContact CG-CG2 4.29Å; Y291-T294 WeakPolarHBondContact O-CB 3.21Å; Y291-T294 WeakPolarHBondContact O-CG2 3.49Å; Y291-T294 PolarHBondContact O-N 3.03Å; Y291-T294 PolarHBondContact O-OG1 3.09Å; T294-D296 PolarHBondContact O-N 3.23Å; T294-I297 PolarHBondContact O-N 2.76Å; T294-C298 VanDerWaalsContact O-CB 3.29Å; T294-C298 WeakPolarHBondContact O-CB 3.3Å; T294-C298 PolarHBondContact O-N 2.97Å
295	I	85.3	Confident	91.6	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.062	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-34.1	179	-64.3	174.4	0	0	0	111.4	I297 H299 D300 R443 D447	I295-I297 PolarHBondContact O-N 2.8Å; I295-H299 HydrophobicContact CG2-CB 4.15Å; I295-H299 WeakPolarHBondContact O-CA 3.37Å; I295-H299 WeakPolarHBondContact O-CB 3.16Å; I295-H299 PolarHBondContact O-N 3.27Å; I295-D300 PolarHBondContact O-N 3.23Å; I295-R443 HydrophobicContact CD1-CG 4.2Å; I295-D447 HydrophobicContact CD1-CB 4.41Å
296	D	88.2	Confident	91.5	Very high	21 Å²	21	29.9 Å²	29.9	11%	0.112	13%	0.134	C	C	.	.	H	α-helix	trans	-70.6	-39.7	-170.9	-43.8	-27.1	0	0	0	110	K236 Y291 T294 R443	K236-D296 WeakPolarHBondContact CD-O 3.09Å; K236-D296 WeakPolarHBondContact CE-O 3.48Å; K236-D296 PolarHBondContact NZ-O 3.03Å; Y291-D296 PolarHBondContact OH-OD2 3.25Å; T294-D296 PolarHBondContact O-N 3.23Å; D296-R443 IonicContact OD1-CZ 2.75Å; D296-R443 IonicContact OD1-NH2 2.61Å; D296-R443 PolarHBondContact OD1-NH2 3.36Å; D296-R443 IonicContact OD2-CZ 3.05Å; D296-R443 IonicContact OD2-NH2 3.33Å; D296-R443 PolarHBondContact OD2-NH2 3.4Å
297	I	90.2	Very high	91.5	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-80.5	-48.2	174.1	-58.5	-62.7	0	0	0	111.9	F225 N226 K236 Y291 T294 I295	F225-I297 WeakPolarHBondContact CZ-O 3.42Å; N226-I297 PolarHBondContact OD1-O 3.06Å; K236-I297 HydrophobicContact CB-CD1 3.55Å; K236-I297 HydrophobicContact CD-CD1 4.08Å; K236-I297 PolarHBondContact NZ-O 3.2Å; K236-I297 VanDerWaalsContact NZ-O 3.13Å; Y291-I297 HydrophobicContact CD1-CD1 4.32Å; Y291-I297 HydrophobicContact CD1-CG1 3.9Å; Y291-I297 HydrophobicContact CE1-CD1 4.06Å; Y291-I297 HydrophobicContact CE1-CG1 3.86Å; T294-I297 PolarHBondContact O-N 2.76Å; I295-I297 PolarHBondContact O-N 2.8Å
298	C	88	Confident	91.7	Very high	21 Å²	21	23.7 Å²	23.7	14%	0.142	11%	0.108	C	C	.	.	H	α-helix	trans	-86.1	-12	-168.6	-64.6	0	0	0	0	115.7	A133 F225 L292 T294	A133-C298 HydrophobicContact CB-CB 4.41Å; A133-C298 VanDerWaalsContact CB-SG 3.5Å; F225-C298 WeakPolarHBondContact CZ-O 3.48Å; L292-C298 PolarHBondContact O-SG 3.14Å; T294-C298 VanDerWaalsContact O-CB 3.29Å; T294-C298 WeakPolarHBondContact O-CB 3.3Å; T294-C298 PolarHBondContact O-N 2.97Å
299	H	85.2	Confident	91.8	Very high	73 Å²	73	24.4 Å²	24.4	34%	0.338	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-39.2	-171.6	-60.2	-74.2	0	0	0	115	I295 R450	I295-H299 HydrophobicContact CG2-CB 4.15Å; I295-H299 WeakPolarHBondContact O-CA 3.37Å; I295-H299 WeakPolarHBondContact O-CB 3.16Å; I295-H299 PolarHBondContact O-N 3.27Å; H299-R450 PolarHBondContact CD2-NH1 3.5Å; H299-R450 PolarHBondContact CE1-NH1 2.98Å; H299-R450 PolarHBondContact NE2-NH1 2.82Å
300	D	90.3	Very high	91.9	Very high	15 Å²	15	24.1 Å²	24.1	8%	0.08	11%	0.113	C	C	.	.			trans	-75.4	152.9	179.2	-68.3	-4.8	0	0	0	110	F225 K236 I295 R446	F225-D300 VanDerWaalsContact CD2-O 3.3Å; F225-D300 WeakPolarHBondContact CD2-O 3.44Å; F225-D300 VanDerWaalsContact CE2-O 3.26Å; F225-D300 WeakPolarHBondContact CE2-O 3.25Å; K236-D300 WeakPolarHBondContact CE-O 3.03Å; K236-D300 PolarHBondContact NZ-O 3.45Å; I295-D300 PolarHBondContact O-N 3.23Å; D300-R446 VanDerWaalsContact CG-NH2 3.27Å; D300-R446 IonicContact OD1-CZ 3.32Å; D300-R446 IonicContact OD1-NH2 3.29Å; D300-R446 PolarHBondContact OD1-NH2 2.87Å; D300-R446 IonicContact OD2-CZ 3.32Å; D300-R446 IonicContact OD2-NH1 2.63Å; D300-R446 IonicContact OD2-NH2 3.07Å; D300-R446 PolarHBondContact OD2-NH2 3.43Å
301	H	94.4	Very high	92.3	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.1	C	C	.	.			trans	-94.5	161.5	173.3	-66.5	54	0	0	0	108.9	W29 M221 I223 F225 G303	W29-H301 AromaticContact CH2-NE2 3.67Å; W29-H301 AromaticContact CZ3-CE1 3.33Å; W29-H301 WeakPolarHBondContact CZ3-CE1 3.45Å; W29-H301 AromaticContact CZ3-NE2 3.41Å; W29-H301 WeakPolarHBondContact CZ3-NE2 3.28Å; M221-H301 CarbonylContact O-C 3.45Å; M221-H301 VanDerWaalsContact O-CB 3.24Å; M221-H301 WeakPolarHBondContact O-CB 3.27Å; I223-H301 PolarHBondContact O-CD2 2.93Å; I223-H301 VanDerWaalsContact O-CD2 3.28Å; F225-H301 AromaticContact CD2-ND1 3.96Å; H301-G303 PolarHBondContact O-N 3.18Å
302	F	95.7	Very high	92.7	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.097	C	C	.	.			trans	-92.2	107.5	178.7	-171.1	-96.8	0	0	0	110.4	V191 A195 G222 E224 P227 F235 K236 F239 L306	V191-F302 HydrophobicContact CG1-CZ 4.46Å; V191-F302 HydrophobicContact CG2-CE1 3.95Å; V191-F302 HydrophobicContact CG2-CZ 4.15Å; A195-F302 HydrophobicContact CB-CD1 3.7Å; A195-F302 HydrophobicContact CB-CE1 4.08Å; G222-F302 VanDerWaalsContact CA-O 3.28Å; G222-F302 WeakPolarHBondContact CA-O 3.28Å; E224-F302 PolarHBondContact O-N 3.34Å; P227-F302 HydrophobicContact CG-CB 3.54Å; P227-F302 HydrophobicContact CG-CD1 3.69Å; P227-F302 HydrophobicContact CG-CG 3.9Å; F235-F302 HydrophobicContact CB-CD1 4.06Å; F235-F302 HydrophobicContact CB-CD2 4.49Å; F235-F302 HydrophobicContact CB-CE1 3.91Å; F235-F302 HydrophobicContact CB-CE2 4.33Å; F235-F302 HydrophobicContact CB-CG 4.34Å; F235-F302 HydrophobicContact CB-CZ 4.04Å; F235-F302 AromaticContact CD1-CE1 3.91Å; F235-F302 HydrophobicContact CD1-CE1 3.91Å; F235-F302 HydrophobicContact CD1-CZ 4.34Å; F235-F302 HydrophobicContact CG-CE1 4.33Å; K236-F302 HydrophobicContact CB-CD2 4.44Å; K236-F302 HydrophobicContact CG-CB 3.93Å; K236-F302 HydrophobicContact CG-CD2 3.7Å; K236-F302 HydrophobicContact CG-CG 4.16Å; F239-F302 HydrophobicContact CB-CE2 4.36Å; F239-F302 HydrophobicContact CB-CZ 4.41Å; F239-F302 AromaticContact CD2-CZ 3.95Å; F239-F302 HydrophobicContact CD2-CZ 3.95Å; F239-F302 HydrophobicContact CG-CZ 4.28Å; F302-L306 HydrophobicContact CD2-CB 3.65Å; F302-L306 HydrophobicContact CD2-CD1 4.1Å; F302-L306 HydrophobicContact CE2-CB 3.84Å
303	G	96.4	Very high	92.9	Very high	1 Å²	1	21 Å²	21	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	-136	-160	172.6	0	0	0	0	0	110.8	M220 G222 H301 Y305 L306 G307	M220-G303 CarbonylContact O-C 3.18Å; G222-G303 VanDerWaalsContact CA-CA 3.49Å; H301-G303 PolarHBondContact O-N 3.18Å; G303-Y305 PolarHBondContact O-N 3.15Å; G303-L306 PolarHBondContact O-N 3.49Å; G303-G307 PolarHBondContact O-N 3.47Å
304	W	97.6	Very high	93.3	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.019	8%	0.081	C	C	.	.	H	α-helix	trans	-55.7	-35.9	-178.9	-175.4	96.9	0	0	0	114	L47 A50 P51 Y189 S192 Y219 M220 L306 G307 W308	L47-W304 HydrophobicContact CD2-CB 4.3Å; L47-W304 HydrophobicContact CD2-CD2 3.53Å; L47-W304 HydrophobicContact CD2-CE3 3.71Å; L47-W304 HydrophobicContact CD2-CG 3.83Å; L47-W304 HydrophobicContact CD2-CH2 4.45Å; L47-W304 HydrophobicContact CD2-CZ2 4.34Å; L47-W304 HydrophobicContact CD2-CZ3 4.17Å; A50-W304 HydrophobicContact CB-CH2 4.11Å; P51-W304 HydrophobicContact CG-CH2 4.41Å; P51-W304 HydrophobicContact CG-CZ2 3.93Å; Y189-W304 AromaticContact CD1-CD1 3.78Å; Y189-W304 AromaticContact CD1-NE1 3.5Å; Y189-W304 AromaticContact CE1-CD1 3.76Å; Y189-W304 AromaticContact CE1-NE1 3.09Å; Y189-W304 AromaticContact CZ-NE1 3.55Å; S192-W304 VanDerWaalsContact OG-CA 3.27Å; S192-W304 WeakPolarHBondContact OG-CA 3.24Å; Y219-W304 HydrophobicContact CD1-CB 3.95Å; Y219-W304 HydrophobicContact CD1-CG 4.36Å; Y219-W304 HydrophobicContact CE1-CB 3.76Å; Y219-W304 AromaticContact CE1-CD1 3.54Å; Y219-W304 AromaticContact CE1-CG 3.83Å; Y219-W304 HydrophobicContact CE1-CG 3.83Å; Y219-W304 PolarHBondContact O-N 2.67Å; M220-W304 HydrophobicContact CE-CE3 4.03Å; M220-W304 HydrophobicContact CE-CZ3 3.98Å; M220-W304 PolarHBondContact O-N 3.46Å; M220-W304 VanDerWaalsContact O-N 3.09Å; M220-W304 HydrophobicContact SD-CD2 4.33Å; M220-W304 HydrophobicContact SD-CE3 3.32Å; M220-W304 HydrophobicContact SD-CZ3 3.74Å; W304-L306 VanDerWaalsContact C-N 3.35Å; W304-L306 PolarHBondContact O-N 2.88Å; W304-G307 PolarHBondContact O-N 3.2Å; W304-W308 HydrophobicContact CD2-CB 3.77Å; W304-W308 HydrophobicContact CD2-CG 4.26Å; W304-W308 VanDerWaalsContact CE2-CB 3.5Å; W304-W308 AromaticContact CE2-CD2 3.87Å; W304-W308 AromaticContact CE2-CG 3.51Å; W304-W308 HydrophobicContact CE3-CB 4.43Å; W304-W308 HydrophobicContact CG-CB 4Å; W304-W308 AromaticContact CH2-CD2 3.78Å; W304-W308 HydrophobicContact CH2-CD2 3.78Å; W304-W308 AromaticContact CH2-CE3 3.46Å; W304-W308 HydrophobicContact CH2-CE3 3.46Å; W304-W308 VanDerWaalsContact CH2-CE3 3.46Å; W304-W308 HydrophobicContact CH2-CG 4.3Å; W304-W308 AromaticContact CH2-CZ3 3.88Å; W304-W308 HydrophobicContact CH2-CZ3 3.88Å; W304-W308 HydrophobicContact CZ2-CB 4Å; W304-W308 AromaticContact CZ2-CD2 3.38Å; W304-W308 HydrophobicContact CZ2-CD2 3.38Å; W304-W308 AromaticContact CZ2-CE2 3.89Å; W304-W308 AromaticContact CZ2-CE3 3.62Å; W304-W308 HydrophobicContact CZ2-CE3 3.62Å; W304-W308 AromaticContact CZ2-CG 3.55Å; W304-W308 HydrophobicContact CZ2-CG 3.55Å; W304-W308 HydrophobicContact CZ2-CZ3 4.29Å; W304-W308 AromaticContact CZ3-CE3 4Å; W304-W308 HydrophobicContact CZ3-CE3 4Å; W304-W308 AromaticContact NE1-CD1 3.77Å; W304-W308 AromaticContact NE1-CG 3.59Å; W304-W308 VanDerWaalsContact O-CB 3.27Å; W304-W308 WeakPolarHBondContact O-CB 3.11Å; W304-W308 PolarHBondContact O-N 3.48Å
305	Y	94.4	Very high	93.7	Very high	79 Å²	79	16 Å²	16	31%	0.31	8%	0.08	S	C	.	.	H	α-helix	trans	-53.4	-48.3	177	175.1	-111.2	0	0	0	112.9	M220 G303 G309	M220-Y305 HydrophobicContact CE-CD2 3.98Å; M220-Y305 HydrophobicContact CE-CG 4.42Å; M220-Y305 WeakPolarHBondContact O-CB 3.24Å; M220-Y305 PolarHBondContact O-N 3.14Å; G303-Y305 PolarHBondContact O-N 3.15Å; Y305-G309 WeakPolarHBondContact O-CA 3.35Å; Y305-G309 PolarHBondContact O-N 3.05Å
306	L	94.2	Very high	94.3	Very high	14 Å²	14	15.7 Å²	15.7	7%	0.073	8%	0.078	C	C	.	.	H	α-helix	trans	-83.1	-46	177.6	-66.6	179.8	0	0	0	111.2	K236 F302 G303 W304 D310	K236-L306 HydrophobicContact CD-CD1 4.39Å; K236-L306 HydrophobicContact CG-CD1 4.35Å; F302-L306 HydrophobicContact CD2-CB 3.65Å; F302-L306 HydrophobicContact CD2-CD1 4.1Å; F302-L306 HydrophobicContact CE2-CB 3.84Å; G303-L306 PolarHBondContact O-N 3.49Å; W304-L306 VanDerWaalsContact C-N 3.35Å; W304-L306 PolarHBondContact O-N 2.88Å; L306-D310 VanDerWaalsContact O-CB 3.25Å; L306-D310 WeakPolarHBondContact O-CB 3.18Å; L306-D310 PolarHBondContact O-N 3.46Å
307	G	95.6	Very high	94.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.2	-51.5	-176.3	0	0	0	0	0	113.7	G303 W304 C311	G303-G307 PolarHBondContact O-N 3.47Å; W304-G307 PolarHBondContact O-N 3.2Å; G307-C311 PolarHBondContact O-N 3.38Å; G307-C311 PolarHBondContact O-SG 3.37Å
308	W	97.7	Very high	95.1	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-77.3	-38.2	177	-178.4	92.9	0	0	0	112	A50 P51 V54 N185 Y189 W304 D310 C311 V312 W313	A50-W308 HydrophobicContact CB-CH2 3.93Å; A50-W308 HydrophobicContact CB-CZ3 3.86Å; P51-W308 HydrophobicContact CB-CZ2 4.03Å; P51-W308 HydrophobicContact CG-CH2 4.47Å; P51-W308 HydrophobicContact CG-CZ2 3.93Å; V54-W308 HydrophobicContact CG2-CH2 3.69Å; V54-W308 HydrophobicContact CG2-CZ2 4.14Å; N185-W308 PolarHBondContact OD1-NE1 2.91Å; Y189-W308 AromaticContact CE2-CD1 3.98Å; W304-W308 HydrophobicContact CD2-CB 3.77Å; W304-W308 HydrophobicContact CD2-CG 4.26Å; W304-W308 VanDerWaalsContact CE2-CB 3.5Å; W304-W308 AromaticContact CE2-CD2 3.87Å; W304-W308 AromaticContact CE2-CG 3.51Å; W304-W308 HydrophobicContact CE3-CB 4.43Å; W304-W308 HydrophobicContact CG-CB 4Å; W304-W308 AromaticContact CH2-CD2 3.78Å; W304-W308 HydrophobicContact CH2-CD2 3.78Å; W304-W308 AromaticContact CH2-CE3 3.46Å; W304-W308 HydrophobicContact CH2-CE3 3.46Å; W304-W308 VanDerWaalsContact CH2-CE3 3.46Å; W304-W308 HydrophobicContact CH2-CG 4.3Å; W304-W308 AromaticContact CH2-CZ3 3.88Å; W304-W308 HydrophobicContact CH2-CZ3 3.88Å; W304-W308 HydrophobicContact CZ2-CB 4Å; W304-W308 AromaticContact CZ2-CD2 3.38Å; W304-W308 HydrophobicContact CZ2-CD2 3.38Å; W304-W308 AromaticContact CZ2-CE2 3.89Å; W304-W308 AromaticContact CZ2-CE3 3.62Å; W304-W308 HydrophobicContact CZ2-CE3 3.62Å; W304-W308 AromaticContact CZ2-CG 3.55Å; W304-W308 HydrophobicContact CZ2-CG 3.55Å; W304-W308 HydrophobicContact CZ2-CZ3 4.29Å; W304-W308 AromaticContact CZ3-CE3 4Å; W304-W308 HydrophobicContact CZ3-CE3 4Å; W304-W308 AromaticContact NE1-CD1 3.77Å; W304-W308 AromaticContact NE1-CG 3.59Å; W304-W308 VanDerWaalsContact O-CB 3.27Å; W304-W308 WeakPolarHBondContact O-CB 3.11Å; W304-W308 PolarHBondContact O-N 3.48Å; W308-D310 PolarHBondContact O-N 2.88Å; W308-C311 PolarHBondContact O-N 3.24Å; W308-V312 HydrophobicContact CD2-CB 4.1Å; W308-V312 HydrophobicContact CD2-CG2 4.39Å; W308-V312 HydrophobicContact CG-CB 4.48Å; W308-V312 HydrophobicContact CG-CG2 4.3Å; W308-V312 HydrophobicContact CH2-CB 4.45Å; W308-V312 HydrophobicContact CH2-CG1 4.24Å; W308-V312 HydrophobicContact CZ2-CB 3.82Å; W308-V312 HydrophobicContact CZ2-CG1 3.53Å; W308-V312 HydrophobicContact CZ2-CG2 4.49Å; W308-V312 WeakPolarHBondContact O-CB 3.31Å; W308-V312 PolarHBondContact O-N 2.88Å; W308-W313 HydrophobicContact CE3-CB 4.45Å; W308-W313 HydrophobicContact CH2-CB 4.43Å; W308-W313 AromaticContact CH2-CE3 3.91Å; W308-W313 HydrophobicContact CH2-CE3 3.91Å; W308-W313 HydrophobicContact CZ3-CB 3.89Å; W308-W313 HydrophobicContact CZ3-CD2 4.47Å; W308-W313 AromaticContact CZ3-CE3 3.79Å; W308-W313 HydrophobicContact CZ3-CE3 3.79Å
309	G	96.1	Very high	95.6	Very high	15 Å²	15	14.9 Å²	14.9	16%	0.155	7%	0.07	C	C	.	.	I	π-helix	trans	-57.7	-47.2	178.3	0	0	0	0	0	112.9	Y305 W313 L314	Y305-G309 WeakPolarHBondContact O-CA 3.35Å; Y305-G309 PolarHBondContact O-N 3.05Å; G309-W313 WeakPolarHBondContact O-CB 3.39Å; G309-W313 PolarHBondContact O-N 2.96Å; G309-W313 VanDerWaalsContact O-N 3.11Å; G309-L314 PolarHBondContact O-N 2.97Å
310	D	95.4	Very high	96.3	Very high	13 Å²	13	11.4 Å²	11.4	7%	0.07	5%	0.054	C	C	.	.	I	π-helix	trans	-71	-31.8	179.7	-69.2	-34.9	0	0	0	112.6	F239 N240 G244 L306 W308 P315	F239-D310 HydrophobicContact CB-CB 4.19Å; N240-D310 VanDerWaalsContact CA-CG 3.44Å; N240-D310 WeakPolarHBondContact CA-OD2 3.46Å; N240-D310 PolarHBondContact N-OD2 3.4Å; N240-D310 PolarHBondContact ND2-OD1 2.82Å; G244-D310 WeakPolarHBondContact CA-O 3.35Å; L306-D310 VanDerWaalsContact O-CB 3.25Å; L306-D310 WeakPolarHBondContact O-CB 3.18Å; L306-D310 PolarHBondContact O-N 3.46Å; W308-D310 PolarHBondContact O-N 2.88Å; D310-P315 WeakPolarHBondContact O-CD 3.4Å
311	C	96.6	Very high	96.7	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.014	5%	0.05	C	C	.	.	I	π-helix	trans	-80.1	-36.3	179.6	-68.7	0	0	0	0	113.6	F239 G307 W308	F239-C311 WeakPolarHBondContact CD1-SG 3.49Å; G307-C311 PolarHBondContact O-N 3.38Å; G307-C311 PolarHBondContact O-SG 3.37Å; W308-C311 PolarHBondContact O-N 3.24Å
312	V	97.6	Very high	96.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-121.1	-58.5	-166.7	-174.6	0	0	0	0	111.4	V54 L181 A184 W308 L314 P315 Y316	V54-V312 HydrophobicContact CB-CG1 4.45Å; V54-V312 HydrophobicContact CG1-CG1 3.97Å; V54-V312 HydrophobicContact CG2-CG1 4.3Å; L181-V312 HydrophobicContact CD1-CG1 3.85Å; A184-V312 VanDerWaalsContact C-CG2 3.48Å; A184-V312 HydrophobicContact CB-CG2 3.96Å; A184-V312 WeakPolarHBondContact O-CG2 3.31Å; W308-V312 HydrophobicContact CD2-CB 4.1Å; W308-V312 HydrophobicContact CD2-CG2 4.39Å; W308-V312 HydrophobicContact CG-CB 4.48Å; W308-V312 HydrophobicContact CG-CG2 4.3Å; W308-V312 HydrophobicContact CH2-CB 4.45Å; W308-V312 HydrophobicContact CH2-CG1 4.24Å; W308-V312 HydrophobicContact CZ2-CB 3.82Å; W308-V312 HydrophobicContact CZ2-CG1 3.53Å; W308-V312 HydrophobicContact CZ2-CG2 4.49Å; W308-V312 WeakPolarHBondContact O-CB 3.31Å; W308-V312 PolarHBondContact O-N 2.88Å; V312-L314 PolarHBondContact O-N 3.44Å; V312-P315 WeakPolarHBondContact O-CD 3.49Å; V312-Y316 HydrophobicContact CG1-CD2 4.35Å; V312-Y316 WeakPolarHBondContact O-CB 3.36Å; V312-Y316 VanDerWaalsContact O-CD2 3.25Å; V312-Y316 WeakPolarHBondContact O-CD2 3.29Å; V312-Y316 PolarHBondContact O-N 3.28Å; V312-Y316 VanDerWaalsContact O-N 3.15Å
313	W	97.6	Very high	97	Very high	31 Å²	31	10.6 Å²	10.6	12%	0.117	5%	0.05	C	C	.	.	I	π-helix	trans	-59.3	-49.7	-174	-173.6	-85.4	0	0	0	111.9	A50 I53 V54 W308 G309 L317 F431 Y435	A50-W313 HydrophobicContact CB-CE3 4.23Å; A50-W313 HydrophobicContact CB-CZ3 3.91Å; I53-W313 HydrophobicContact CG2-CH2 4.34Å; I53-W313 HydrophobicContact CG2-CZ3 4.31Å; V54-W313 HydrophobicContact CG2-CE3 3.98Å; V54-W313 HydrophobicContact CG2-CZ3 4.42Å; W308-W313 HydrophobicContact CE3-CB 4.45Å; W308-W313 HydrophobicContact CH2-CB 4.43Å; W308-W313 AromaticContact CH2-CE3 3.91Å; W308-W313 HydrophobicContact CH2-CE3 3.91Å; W308-W313 HydrophobicContact CZ3-CB 3.89Å; W308-W313 HydrophobicContact CZ3-CD2 4.47Å; W308-W313 AromaticContact CZ3-CE3 3.79Å; W308-W313 HydrophobicContact CZ3-CE3 3.79Å; G309-W313 WeakPolarHBondContact O-CB 3.39Å; G309-W313 PolarHBondContact O-N 2.96Å; G309-W313 VanDerWaalsContact O-N 3.11Å; W313-L317 HydrophobicContact CD2-CD1 3.41Å; W313-L317 VanDerWaalsContact CD2-CD1 3.41Å; W313-L317 HydrophobicContact CD2-CG 4.39Å; W313-L317 VanDerWaalsContact CE2-CD1 3.43Å; W313-L317 HydrophobicContact CE3-CD1 3.43Å; W313-L317 VanDerWaalsContact CE3-CD1 3.43Å; W313-L317 HydrophobicContact CG-CD1 4.13Å; W313-L317 HydrophobicContact CH2-CD1 3.57Å; W313-L317 HydrophobicContact CZ2-CD1 3.52Å; W313-L317 HydrophobicContact CZ3-CD1 3.52Å; W313-L317 VanDerWaalsContact O-CB 3.27Å; W313-L317 WeakPolarHBondContact O-CB 3.48Å; W313-L317 PolarHBondContact O-N 2.95Å; W313-F431 HydrophobicContact CH2-CE1 4.37Å; W313-F431 AromaticContact CH2-CZ 3.83Å; W313-F431 HydrophobicContact CH2-CZ 3.83Å; W313-F431 AromaticContact CZ2-CE1 4Å; W313-F431 HydrophobicContact CZ2-CE1 4Å; W313-F431 AromaticContact CZ2-CZ 3.77Å; W313-F431 HydrophobicContact CZ2-CZ 3.77Å; W313-Y435 AromaticContact CE2-CE2 3.66Å; W313-Y435 AromaticContact CE2-CZ 3.88Å; W313-Y435 AromaticContact CZ2-CD2 3.52Å; W313-Y435 HydrophobicContact CZ2-CD2 3.52Å; W313-Y435 AromaticContact CZ2-CE2 3.53Å; W313-Y435 HydrophobicContact CZ2-CE2 3.53Å; W313-Y435 HydrophobicContact CZ2-CG 4.17Å; W313-Y435 AromaticContact NE1-CD1 3.98Å; W313-Y435 AromaticContact NE1-CD2 3.96Å; W313-Y435 AromaticContact NE1-CE1 3.45Å; W313-Y435 AromaticContact NE1-CE2 3.41Å; W313-Y435 AromaticContact NE1-CZ 3.12Å; W313-Y435 PolarHBondContact NE1-OH 3.31Å
314	L	95.9	Very high	97.1	Very high	14 Å²	14	11 Å²	11	7%	0.073	5%	0.051	C	C	.	.	H	α-helix	trans	-63.5	-58.3	-178.3	-177.7	166	0	0	0	111.3	I245 W248 G309 V312 Y316 Y318	I245-L314 HydrophobicContact CD1-CD1 4.47Å; I245-L314 HydrophobicContact CG1-CD1 3.77Å; I245-L314 HydrophobicContact CG1-CD2 4.44Å; W248-L314 HydrophobicContact CB-CD2 4.42Å; G309-L314 PolarHBondContact O-N 2.97Å; V312-L314 PolarHBondContact O-N 3.44Å; L314-Y316 VanDerWaalsContact C-N 3.29Å; L314-Y316 PolarHBondContact O-N 3.42Å; L314-Y318 HydrophobicContact CG-CD1 4.46Å; L314-Y318 HydrophobicContact CG-CD2 3.96Å; L314-Y318 HydrophobicContact CG-CE2 4.17Å; L314-Y318 HydrophobicContact CG-CG 4.14Å; L314-Y318 WeakPolarHBondContact O-CB 3.14Å; L314-Y318 PolarHBondContact O-N 2.84Å
315	P	96.3	Very high	97.1	Very high	6 Å²	6	10.8 Å²	10.8	4%	0.039	5%	0.05	C	C	.	.	H	α-helix	trans	-63.6	-31.9	-174.6	-26	38.2	0	0	0	114	I251 D310 V312 T319	I251-P315 HydrophobicContact CD1-CB 3.72Å; D310-P315 WeakPolarHBondContact O-CD 3.4Å; V312-P315 WeakPolarHBondContact O-CD 3.49Å; P315-T319 WeakPolarHBondContact O-CB 3.25Å; P315-T319 VanDerWaalsContact O-CG2 3.26Å; P315-T319 WeakPolarHBondContact O-CG2 3.17Å; P315-T319 PolarHBondContact O-OG1 3.39Å
316	Y	97.8	Very high	97.3	Very high	6 Å²	6	7 Å²	7	2%	0.024	4%	0.036	C	C	.	.	H	α-helix	trans	-92.4	-34.5	-174.2	-73.1	-94.5	0	0	0	114	V54 I58 W177 L180 L181 A184 V312 L314	V54-Y316 HydrophobicContact CG1-CG 4.24Å; I58-Y316 HydrophobicContact CD1-CD1 4.03Å; I58-Y316 HydrophobicContact CG1-CD1 4.01Å; W177-Y316 HydrophobicContact CD2-CD1 4.28Å; W177-Y316 AromaticContact CD2-CE1 3.74Å; W177-Y316 HydrophobicContact CD2-CE1 3.74Å; W177-Y316 AromaticContact CE2-CD1 3.52Å; W177-Y316 AromaticContact CE2-CE1 3.46Å; W177-Y316 VanDerWaalsContact CE2-CE1 3.46Å; W177-Y316 AromaticContact CE3-CE1 3.93Å; W177-Y316 HydrophobicContact CE3-CE1 3.93Å; W177-Y316 HydrophobicContact CG-CE1 4.48Å; W177-Y316 AromaticContact CH2-CD1 3.64Å; W177-Y316 HydrophobicContact CH2-CD1 3.64Å; W177-Y316 HydrophobicContact CH2-CD2 4.41Å; W177-Y316 AromaticContact CH2-CE1 3.61Å; W177-Y316 HydrophobicContact CH2-CE1 3.61Å; W177-Y316 HydrophobicContact CH2-CE2 4.41Å; W177-Y316 HydrophobicContact CH2-CG 4.04Å; W177-Y316 AromaticContact CH2-CZ 3.98Å; W177-Y316 AromaticContact CZ2-CD1 3.18Å; W177-Y316 HydrophobicContact CZ2-CD1 3.18Å; W177-Y316 AromaticContact CZ2-CE1 3.43Å; W177-Y316 HydrophobicContact CZ2-CE1 3.43Å; W177-Y316 VanDerWaalsContact CZ2-CE1 3.43Å; W177-Y316 AromaticContact CZ2-CG 3.86Å; W177-Y316 HydrophobicContact CZ2-CG 3.86Å; W177-Y316 HydrophobicContact CZ3-CD1 4.35Å; W177-Y316 AromaticContact CZ3-CE1 3.85Å; W177-Y316 HydrophobicContact CZ3-CE1 3.85Å; W177-Y316 AromaticContact CZ3-CZ 3.99Å; W177-Y316 AromaticContact NE1-CD1 3.98Å; W177-Y316 PolarHBondContact O-OH 3Å; L180-Y316 WeakPolarHBondContact CB-OH 3.16Å; L180-Y316 PolarHBondContact O-OH 3.42Å; L181-Y316 VanDerWaalsContact CA-CZ 3.46Å; L181-Y316 WeakPolarHBondContact CA-OH 3.27Å; L181-Y316 HydrophobicContact CB-CD1 4.34Å; L181-Y316 HydrophobicContact CB-CE1 3.59Å; L181-Y316 HydrophobicContact CD1-CD1 3.73Å; L181-Y316 HydrophobicContact CD1-CD2 3.95Å; L181-Y316 HydrophobicContact CD1-CE1 3.75Å; L181-Y316 HydrophobicContact CD1-CE2 3.96Å; L181-Y316 HydrophobicContact CD1-CG 3.86Å; L181-Y316 HydrophobicContact CG-CD1 4.47Å; L181-Y316 HydrophobicContact CG-CE1 4.17Å; L181-Y316 PolarHBondContact N-OH 2.88Å; A184-Y316 HydrophobicContact CB-CE2 3.94Å; V312-Y316 HydrophobicContact CG1-CD2 4.35Å; V312-Y316 WeakPolarHBondContact O-CB 3.36Å; V312-Y316 VanDerWaalsContact O-CD2 3.25Å; V312-Y316 WeakPolarHBondContact O-CD2 3.29Å; V312-Y316 PolarHBondContact O-N 3.28Å; V312-Y316 VanDerWaalsContact O-N 3.15Å; L314-Y316 VanDerWaalsContact C-N 3.29Å; L314-Y316 PolarHBondContact O-N 3.42Å
317	L	97.6	Very high	97.5	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-94.3	-25.4	-178.8	-56.6	-173.3	0	0	0	113.3	V54 F57 W313 T319 L320 F431	V54-L317 HydrophobicContact CG2-CD1 3.89Å; V54-L317 HydrophobicContact CG2-CD2 4.17Å; V54-L317 HydrophobicContact CG2-CG 4Å; F57-L317 HydrophobicContact CB-CD2 4.27Å; F57-L317 HydrophobicContact CG-CD2 4.44Å; W313-L317 HydrophobicContact CD2-CD1 3.41Å; W313-L317 VanDerWaalsContact CD2-CD1 3.41Å; W313-L317 HydrophobicContact CD2-CG 4.39Å; W313-L317 VanDerWaalsContact CE2-CD1 3.43Å; W313-L317 HydrophobicContact CE3-CD1 3.43Å; W313-L317 VanDerWaalsContact CE3-CD1 3.43Å; W313-L317 HydrophobicContact CG-CD1 4.13Å; W313-L317 HydrophobicContact CH2-CD1 3.57Å; W313-L317 HydrophobicContact CZ2-CD1 3.52Å; W313-L317 HydrophobicContact CZ3-CD1 3.52Å; W313-L317 VanDerWaalsContact O-CB 3.27Å; W313-L317 WeakPolarHBondContact O-CB 3.48Å; W313-L317 PolarHBondContact O-N 2.95Å; L317-T319 VanDerWaalsContact C-N 3.28Å; L317-L320 HydrophobicContact CB-CD1 4.33Å; L317-L320 HydrophobicContact CD2-CD1 4.01Å; L317-L320 HydrophobicContact CD2-CD2 4.41Å; L317-L320 HydrophobicContact CD2-CG 4.4Å; L317-L320 WeakPolarHBondContact O-CD1 3.3Å; L317-L320 WeakPolarHBondContact O-CG 3.22Å; L317-F431 HydrophobicContact CB-CE1 4.24Å; L317-F431 HydrophobicContact CD1-CE1 3.6Å; L317-F431 HydrophobicContact CD1-CZ 4.13Å; L317-F431 HydrophobicContact CG-CE1 4.38Å
318	Y	97.6	Very high	97.6	Very high	28 Å²	28	11.9 Å²	11.9	11%	0.11	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15	178.4	-70.9	32	0	0	0	112.3	W248 Q277 L314 Q321 Y432 Y435	W248-Y318 HydrophobicContact CE3-CD2 4.36Å; W248-Y318 AromaticContact CH2-CD2 3.93Å; W248-Y318 HydrophobicContact CH2-CD2 3.93Å; W248-Y318 HydrophobicContact CZ2-CD2 4.17Å; W248-Y318 HydrophobicContact CZ3-CD2 4.02Å; W248-Y318 PolarHBondContact NE1-O 3.46Å; Q277-Y318 PolarHBondContact NE2-O 3.35Å; L314-Y318 HydrophobicContact CG-CD1 4.46Å; L314-Y318 HydrophobicContact CG-CD2 3.96Å; L314-Y318 HydrophobicContact CG-CE2 4.17Å; L314-Y318 HydrophobicContact CG-CG 4.14Å; L314-Y318 WeakPolarHBondContact O-CB 3.14Å; L314-Y318 PolarHBondContact O-N 2.84Å; Y318-Q321 PolarHBondContact O-OE1 2.79Å; Y318-Q321 VanDerWaalsContact O-OE1 3.04Å; Y318-Y432 HydrophobicContact CD1-CD2 4.12Å; Y318-Y432 AromaticContact CD1-CE2 3.67Å; Y318-Y432 HydrophobicContact CD1-CE2 3.67Å; Y318-Y432 AromaticContact CD2-CE2 3.6Å; Y318-Y432 HydrophobicContact CD2-CE2 3.6Å; Y318-Y432 AromaticContact CE1-CE2 3.95Å; Y318-Y432 HydrophobicContact CE1-CE2 3.95Å; Y318-Y432 AromaticContact CE2-CE2 3.88Å; Y318-Y432 HydrophobicContact CE2-CE2 3.88Å; Y318-Y432 HydrophobicContact CG-CD2 4.19Å; Y318-Y432 AromaticContact CG-CE2 3.46Å; Y318-Y432 HydrophobicContact CG-CE2 3.46Å; Y318-Y432 VanDerWaalsContact CG-CE2 3.46Å; Y318-Y435 HydrophobicContact CE1-CD1 4.26Å; Y318-Y435 AromaticContact CE1-CE1 3.73Å; Y318-Y435 HydrophobicContact CE1-CE1 3.73Å
319	T	98.3	Very high	97.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.3	179.9	59.5	0	0	0	0	113.1	W248 I251 P315 L317 Q321 G322 L323	W248-T319 HydrophobicContact CG-CG2 4.33Å; I251-T319 HydrophobicContact CB-CG2 4.1Å; I251-T319 HydrophobicContact CD1-CG2 4.46Å; I251-T319 HydrophobicContact CG2-CG2 3.77Å; P315-T319 WeakPolarHBondContact O-CB 3.25Å; P315-T319 VanDerWaalsContact O-CG2 3.26Å; P315-T319 WeakPolarHBondContact O-CG2 3.17Å; P315-T319 PolarHBondContact O-OG1 3.39Å; L317-T319 VanDerWaalsContact C-N 3.28Å; T319-Q321 PolarHBondContact O-N 2.93Å; T319-Q321 VanDerWaalsContact O-N 3.14Å; T319-G322 PolarHBondContact O-N 2.87Å; T319-L323 PolarHBondContact O-N 3.25Å
320	L	98.4	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.4	-33.3	-178	-73.7	172.5	0	0	0	113.1	F57 I58 L317 L323 Y324 L428 F431	F57-L320 HydrophobicContact CB-CD2 4.33Å; F57-L320 HydrophobicContact CD2-CD1 3.67Å; F57-L320 HydrophobicContact CD2-CD2 4.29Å; F57-L320 HydrophobicContact CE2-CD1 4.15Å; I58-L320 HydrophobicContact CD1-CD2 4.37Å; L317-L320 HydrophobicContact CB-CD1 4.33Å; L317-L320 HydrophobicContact CD2-CD1 4.01Å; L317-L320 HydrophobicContact CD2-CD2 4.41Å; L317-L320 HydrophobicContact CD2-CG 4.4Å; L317-L320 WeakPolarHBondContact O-CD1 3.3Å; L317-L320 WeakPolarHBondContact O-CG 3.22Å; L320-L323 HydrophobicContact CD2-CD2 4.45Å; L320-L323 PolarHBondContact O-N 3.43Å; L320-Y324 WeakPolarHBondContact O-CB 3.41Å; L320-Y324 PolarHBondContact O-N 3.15Å; L320-L428 HydrophobicContact CB-CD2 3.95Å; L320-L428 HydrophobicContact CD2-CD2 4.01Å; L320-L428 HydrophobicContact CD2-CG 4.4Å; L320-L428 HydrophobicContact CG-CD2 4.38Å; L320-F431 HydrophobicContact CD1-CB 4.42Å; L320-F431 HydrophobicContact CD1-CD1 4.03Å
321	Q	98.6	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-47	177.1	-59.3	85.2	-6.5	0	0	110.8	V273 Y318 T319 L325 C422 P429	V273-Q321 HydrophobicContact CG1-CB 3.91Å; V273-Q321 HydrophobicContact CG2-CB 4.12Å; Y318-Q321 PolarHBondContact O-OE1 2.79Å; Y318-Q321 VanDerWaalsContact O-OE1 3.04Å; T319-Q321 PolarHBondContact O-N 2.93Å; T319-Q321 VanDerWaalsContact O-N 3.14Å; Q321-L325 WeakPolarHBondContact O-CB 3.14Å; Q321-L325 WeakPolarHBondContact O-CG 3.4Å; Q321-L325 PolarHBondContact O-N 2.87Å; Q321-C422 VanDerWaalsContact CB-SG 3.54Å; Q321-P429 HydrophobicContact CG-CB 4.24Å
322	G	98.4	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-45.8	174.9	0	0	0	0	0	111.3	M270 T319 Y324 L325 V326	M270-G322 WeakPolarHBondContact CE-O 3.38Å; T319-G322 PolarHBondContact O-N 2.87Å; G322-Y324 PolarHBondContact O-N 3.35Å; G322-L325 PolarHBondContact O-N 3.44Å; G322-V326 WeakPolarHBondContact O-CG2 3.38Å; G322-V326 PolarHBondContact O-N 3.12Å
323	L	98.6	Very high	97.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-48.7	177.8	-178.6	62.3	0	0	0	111.4	I58 C61 F174 F255 T319 L320 L325 V326 Y327	I58-L323 HydrophobicContact CD1-CD2 3.75Å; C61-L323 HydrophobicContact CB-CD2 3.88Å; C61-L323 HydrophobicContact CB-CG 4.22Å; F174-L323 HydrophobicContact CD2-CD1 4.28Å; F174-L323 HydrophobicContact CE2-CD1 3.82Å; F255-L323 HydrophobicContact CD2-CB 4.29Å; F255-L323 HydrophobicContact CE1-CD1 4.29Å; F255-L323 HydrophobicContact CE2-CB 3.66Å; F255-L323 HydrophobicContact CE2-CD1 4.4Å; F255-L323 HydrophobicContact CZ-CB 4.03Å; F255-L323 HydrophobicContact CZ-CD1 3.96Å; T319-L323 PolarHBondContact O-N 3.25Å; L320-L323 HydrophobicContact CD2-CD2 4.45Å; L320-L323 PolarHBondContact O-N 3.43Å; L323-L325 VanDerWaalsContact C-N 3.31Å; L323-L325 PolarHBondContact O-N 2.8Å; L323-V326 WeakPolarHBondContact O-CB 3.19Å; L323-V326 PolarHBondContact O-N 3.21Å; L323-Y327 HydrophobicContact CD1-CE2 3.86Å; L323-Y327 HydrophobicContact CG-CE2 4.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.36Å
324	Y	98.6	Very high	97.8	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-55.5	-46.2	176.5	172.7	-99.4	0	0	0	111.8	C66 L320 G322 V326 Y327 H328 V330 C422 H426 P429	C66-Y324 HydrophobicContact CB-CD2 3.69Å; C66-Y324 HydrophobicContact CB-CE2 4.27Å; L320-Y324 WeakPolarHBondContact O-CB 3.41Å; L320-Y324 PolarHBondContact O-N 3.15Å; G322-Y324 PolarHBondContact O-N 3.35Å; Y324-V326 PolarHBondContact O-N 2.98Å; Y324-Y327 PolarHBondContact O-N 3.13Å; Y324-Y327 VanDerWaalsContact O-N 3.12Å; Y324-H328 HydrophobicContact CD1-CB 4.31Å; Y324-H328 AromaticContact CD2-CD2 3.58Å; Y324-H328 HydrophobicContact CE1-CB 3.8Å; Y324-H328 HydrophobicContact CE2-CB 4.02Å; Y324-H328 AromaticContact CE2-CD2 3.19Å; Y324-H328 WeakPolarHBondContact CE2-CD2 3.26Å; Y324-H328 AromaticContact CE2-CG 3.65Å; Y324-H328 AromaticContact CE2-NE2 3.83Å; Y324-H328 AromaticContact CZ-CD2 3.75Å; Y324-H328 AromaticContact CZ-CG 3.69Å; Y324-H328 PolarHBondContact O-N 3.01Å; Y324-V330 HydrophobicContact CE1-CG2 4.21Å; Y324-C422 HydrophobicContact CD1-CB 3.68Å; Y324-C422 HydrophobicContact CE1-CB 3.77Å; Y324-C422 WeakPolarHBondContact CE1-O 3.25Å; Y324-H426 HydrophobicContact CD2-CB 4.38Å; Y324-H426 HydrophobicContact CE2-CB 3.62Å; Y324-H426 AromaticContact CE2-CG 3.53Å; Y324-H426 AromaticContact CE2-ND1 3.32Å; Y324-H426 VanDerWaalsContact CE2-ND1 3.32Å; Y324-H426 WeakPolarHBondContact CE2-ND1 3.36Å; Y324-H426 AromaticContact CZ-ND1 3.61Å; Y324-H426 PolarHBondContact OH-ND1 3.19Å; Y324-P429 HydrophobicContact CD1-CG 3.71Å; Y324-P429 HydrophobicContact CD2-CG 3.88Å; Y324-P429 HydrophobicContact CE1-CG 4.2Å; Y324-P429 HydrophobicContact CE2-CG 4.36Å; Y324-P429 HydrophobicContact CG-CG 3.53Å
325	L	98.6	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-23.7	-178	-71.5	170.5	0	0	0	113.1	Q259 A269 M270 V273 Q321 G322 L323 Y327 H328 V330	Q259-L325 PolarHBondContact NE2-O 3.48Å; A269-L325 HydrophobicContact CB-CD1 4.05Å; A269-L325 HydrophobicContact CB-CD2 3.81Å; M270-L325 HydrophobicContact CB-CD1 4.31Å; M270-L325 HydrophobicContact CE-CB 3.59Å; M270-L325 HydrophobicContact SD-CB 4.33Å; M270-L325 HydrophobicContact SD-CD1 4.49Å; V273-L325 HydrophobicContact CB-CD1 4.47Å; V273-L325 HydrophobicContact CG2-CD1 3.87Å; Q321-L325 WeakPolarHBondContact O-CB 3.14Å; Q321-L325 WeakPolarHBondContact O-CG 3.4Å; Q321-L325 PolarHBondContact O-N 2.87Å; G322-L325 PolarHBondContact O-N 3.44Å; L323-L325 VanDerWaalsContact C-N 3.31Å; L323-L325 PolarHBondContact O-N 2.8Å; L325-Y327 VanDerWaalsContact C-N 3.34Å; L325-H328 WeakPolarHBondContact CA-O 3.33Å; L325-H328 CarbonylContact O-C 3.42Å; L325-V330 HydrophobicContact CD2-CB 3.78Å; L325-V330 HydrophobicContact CD2-CG2 3.96Å
326	V	98.2	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-44.5	171.6	-178.8	0	0	0	0	111	F174 F255 K258 L262 H263 M270 G322 L323 Y324	F174-V326 HydrophobicContact CD2-CB 4.48Å; F174-V326 HydrophobicContact CD2-CG1 4.21Å; F174-V326 HydrophobicContact CD2-CG2 4.11Å; F174-V326 HydrophobicContact CE1-CG1 4.44Å; F174-V326 HydrophobicContact CE2-CB 3.82Å; F174-V326 HydrophobicContact CE2-CG1 3.51Å; F174-V326 HydrophobicContact CE2-CG2 3.92Å; F174-V326 HydrophobicContact CZ-CB 4.37Å; F174-V326 HydrophobicContact CZ-CG1 3.64Å; F255-V326 HydrophobicContact CB-CG2 3.71Å; F255-V326 HydrophobicContact CD1-CG2 4.5Å; F255-V326 HydrophobicContact CG-CG2 4.17Å; F255-V326 WeakPolarHBondContact O-CG2 3.45Å; K258-V326 HydrophobicContact CB-CG1 4.11Å; K258-V326 HydrophobicContact CB-CG2 4.5Å; K258-V326 HydrophobicContact CG-CG1 3.69Å; L262-V326 HydrophobicContact CD1-CG1 3.76Å; H263-V326 PolarHBondContact NE2-O 2.8Å; M270-V326 HydrophobicContact CE-CG2 3.99Å; G322-V326 WeakPolarHBondContact O-CG2 3.38Å; G322-V326 PolarHBondContact O-N 3.12Å; L323-V326 WeakPolarHBondContact O-CB 3.19Å; L323-V326 PolarHBondContact O-N 3.21Å; Y324-V326 PolarHBondContact O-N 2.98Å
327	Y	97.3	Very high	98	Very high	70 Å²	70	37.8 Å²	37.8	28%	0.275	21%	0.205	S	C	.	.	H	α-helix	trans	-80.5	-29.8	179.5	-63.9	-75.5	0	0	0	112.7	C61 F174 L323 Y324 L325	C61-Y327 HydrophobicContact CB-CE2 4.27Å; F174-Y327 HydrophobicContact CE2-CE2 4.16Å; F174-Y327 HydrophobicContact CZ-CE1 4.37Å; F174-Y327 HydrophobicContact CZ-CE2 4.11Å; F174-Y327 AromaticContact CZ-CZ 3.74Å; F174-Y327 WeakPolarHBondContact CZ-OH 3.33Å; L323-Y327 HydrophobicContact CD1-CE2 3.86Å; L323-Y327 HydrophobicContact CG-CE2 4.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.36Å; Y324-Y327 PolarHBondContact O-N 3.13Å; Y324-Y327 VanDerWaalsContact O-N 3.12Å; L325-Y327 VanDerWaalsContact C-N 3.34Å
328	H	97.6	Very high	98	Very high	46 Å²	46	41.1 Å²	41.1	21%	0.213	23%	0.225	C	C	.	.	S	Bend	trans	-123.6	89.4	-178.2	-65	-82.4	0	0	0	110.5	S65 Y324 L325 V330 H426	S65-H328 PolarHBondContact O-NE2 3.07Å; Y324-H328 HydrophobicContact CD1-CB 4.31Å; Y324-H328 AromaticContact CD2-CD2 3.58Å; Y324-H328 HydrophobicContact CE1-CB 3.8Å; Y324-H328 HydrophobicContact CE2-CB 4.02Å; Y324-H328 AromaticContact CE2-CD2 3.19Å; Y324-H328 WeakPolarHBondContact CE2-CD2 3.26Å; Y324-H328 AromaticContact CE2-CG 3.65Å; Y324-H328 AromaticContact CE2-NE2 3.83Å; Y324-H328 AromaticContact CZ-CD2 3.75Å; Y324-H328 AromaticContact CZ-CG 3.69Å; Y324-H328 PolarHBondContact O-N 3.01Å; L325-H328 WeakPolarHBondContact CA-O 3.33Å; L325-H328 CarbonylContact O-C 3.42Å; H328-V330 VanDerWaalsContact C-N 3.3Å; H328-V330 HydrophobicContact CB-CG2 4.5Å; H328-V330 PolarHBondContact O-N 2.79Å; H328-H426 AromaticContact CE1-CE1 3.52Å; H328-H426 AromaticContact NE2-CE1 3.69Å
329	P	96.4	Very high	98	Very high	52 Å²	52	41.7 Å²	41.7	34%	0.338	24%	0.239	S	C	.	.			trans	-70.6	84.4	179.6	30.3	-35.8	0	0	0	111	T267 Q331	T267-P329 HydrophobicContact CG2-CB 3.72Å; P329-Q331 PolarHBondContact O-N 3.03Å
330	V	97.8	Very high	98	Very high	33 Å²	33	42.2 Å²	42.2	20%	0.2	24%	0.243	C	C	.	.			trans	-78.1	118.2	179.7	177.2	0	0	0	0	110.5	T267 A269 Y324 L325 H328 L332	T267-V330 VanDerWaalsContact CB-O 3.25Å; T267-V330 WeakPolarHBondContact CB-O 3.37Å; A269-V330 HydrophobicContact CB-CB 4.21Å; A269-V330 HydrophobicContact CB-CG1 4.41Å; A269-V330 WeakPolarHBondContact CB-O 3.37Å; Y324-V330 HydrophobicContact CE1-CG2 4.21Å; L325-V330 HydrophobicContact CD2-CB 3.78Å; L325-V330 HydrophobicContact CD2-CG2 3.96Å; H328-V330 VanDerWaalsContact C-N 3.3Å; H328-V330 HydrophobicContact CB-CG2 4.5Å; H328-V330 PolarHBondContact O-N 2.79Å; V330-L332 HydrophobicContact CG1-CD2 3.96Å; V330-L332 HydrophobicContact CG1-CG 4.35Å
331	Q	97.8	Very high	98	Very high	119 Å²	119	45 Å²	45	56%	0.556	26%	0.257	S	S	*	.			trans	-102.5	108.8	170.5	-171.4	66.6	11.9	0	0	110	N268 P329	N268-Q331 VanDerWaalsContact N-OE1 3.08Å; N268-Q331 PolarHBondContact ND2-NE2 2.71Å; P329-Q331 PolarHBondContact O-N 3.03Å
332	L	97.6	Very high	98	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.12	28%	0.282	C	S	.	.			trans	-75.9	143.1	178.4	-61.4	171.2	0	0	0	110.6	N268 A269 L272 V330 H336 A337	N268-L332 PolarHBondContact ND2-O 3.08Å; N268-L332 PolarHBondContact OD1-N 2.98Å; A269-L332 HydrophobicContact CB-CD1 4.35Å; A269-L332 HydrophobicContact CB-CG 4.38Å; L272-L332 HydrophobicContact CD1-CD1 3.99Å; V330-L332 HydrophobicContact CG1-CD2 3.96Å; V330-L332 HydrophobicContact CG1-CG 4.35Å; L332-H336 HydrophobicContact CB-CB 4.37Å; L332-A337 HydrophobicContact CB-CB 4.15Å
333	S	97.9	Very high	98.1	Very high	59 Å²	59	51.8 Å²	51.8	41%	0.413	29%	0.293	S	S	.	.			trans	-61.2	152.4	164.4	69.6	0	0	0	0	110.4	H336 A337	S333-H336 PolarHBondContact O-N 3.18Å; S333-H336 VanDerWaalsContact O-N 3.09Å; S333-H336 PolarHBondContact OG-ND1 3.2Å; S333-A337 PolarHBondContact O-N 3.4Å
334	T	97.8	Very high	98	Very high	109 Å²	109	51.9 Å²	51.9	67%	0.669	29%	0.294	S	S	*	.	H	α-helix	trans	-50.4	-45.9	-179.8	-50.8	0	0	0	0	114.1	H336 A337 V338	T334-H336 PolarHBondContact O-N 3.41Å; T334-A337 PolarHBondContact O-N 3.03Å; T334-V338 HydrophobicContact CG2-CG2 4.37Å; T334-V338 WeakPolarHBondContact O-CG2 3.49Å; T334-V338 PolarHBondContact O-N 3.18Å
335	P	98	Very high	98	Very high	100 Å²	100	54.6 Å²	54.6	65%	0.649	31%	0.309	S	S	*	.	H	α-helix	trans	-61.8	-42	179	-24.4	35.7	0	0	0	113.2	V338 G339	P335-V338 PolarHBondContact O-N 3.19Å; P335-G339 PolarHBondContact O-N 3.29Å
336	H	97.6	Very high	98	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.588	33%	0.329	S	S	*	.	H	α-helix	trans	-66	-43.7	177.1	-72.1	93.8	0	0	0	111.5	L332 S333 T334 V338 G339 V340	L332-H336 HydrophobicContact CB-CB 4.37Å; S333-H336 PolarHBondContact O-N 3.18Å; S333-H336 VanDerWaalsContact O-N 3.09Å; S333-H336 PolarHBondContact OG-ND1 3.2Å; T334-H336 PolarHBondContact O-N 3.41Å; H336-V338 PolarHBondContact O-N 3.45Å; H336-G339 PolarHBondContact O-N 2.82Å; H336-V340 WeakPolarHBondContact O-CG2 3.11Å; H336-V340 PolarHBondContact O-N 3.47Å
337	A	98.3	Very high	98	Very high	15 Å²	15	57.9 Å²	57.9	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-44.6	176.6	0	0	0	0	0	112	L272 L332 S333 T334 L341	L272-A337 HydrophobicContact CD1-CB 3.97Å; L332-A337 HydrophobicContact CB-CB 4.15Å; S333-A337 PolarHBondContact O-N 3.4Å; T334-A337 PolarHBondContact O-N 3.03Å; A337-L341 WeakPolarHBondContact O-CB 3.4Å; A337-L341 PolarHBondContact O-N 3.34Å
338	V	98.4	Very high	98.1	Very high	71 Å²	71	58 Å²	58	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-43.6	175.4	172.9	0	0	0	0	111.1	T334 P335 H336 V340 L341 L342	T334-V338 HydrophobicContact CG2-CG2 4.37Å; T334-V338 WeakPolarHBondContact O-CG2 3.49Å; T334-V338 PolarHBondContact O-N 3.18Å; P335-V338 PolarHBondContact O-N 3.19Å; H336-V338 PolarHBondContact O-N 3.45Å; V338-V340 PolarHBondContact O-N 2.83Å; V338-L341 PolarHBondContact O-N 3.09Å; V338-L342 HydrophobicContact CG1-CD1 3.8Å; V338-L342 HydrophobicContact CG1-CG 4.14Å; V338-L342 WeakPolarHBondContact O-CB 3.39Å; V338-L342 VanDerWaalsContact O-CG 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.48Å; V338-L342 PolarHBondContact O-N 3.37Å
339	G	98.5	Very high	98.1	Very high	39 Å²	39	62.1 Å²	62.1	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-45	177.6	0	0	0	0	0	112.8	P335 H336 L342 L343	P335-G339 PolarHBondContact O-N 3.29Å; H336-G339 PolarHBondContact O-N 2.82Å; G339-L342 PolarHBondContact O-N 3.21Å; G339-L343 WeakPolarHBondContact O-CB 3.44Å; G339-L343 PolarHBondContact O-N 3.38Å
340	V	98.5	Very high	98.2	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-45.4	175.8	170.4	0	0	0	0	111.4	L272 L276 H336 V338 L343 G344 A417 L420 A421	L272-V340 HydrophobicContact CD1-CG1 4.42Å; L276-V340 HydrophobicContact CD1-CG1 4.39Å; H336-V340 WeakPolarHBondContact O-CG2 3.11Å; H336-V340 PolarHBondContact O-N 3.47Å; V338-V340 PolarHBondContact O-N 2.83Å; V340-L343 PolarHBondContact O-N 3.31Å; V340-G344 PolarHBondContact O-N 3.48Å; V340-A417 HydrophobicContact CG1-CB 4.28Å; V340-A417 VanDerWaalsContact CG1-O 3.29Å; V340-A417 WeakPolarHBondContact CG1-O 3.36Å; V340-L420 HydrophobicContact CG2-CB 3.89Å; V340-A421 HydrophobicContact CG1-CB 4.1Å
341	L	98.4	Very high	98.1	Very high	58 Å²	58	60 Å²	60	30%	0.304	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-48.1	177.1	-179.8	62.1	0	0	0	111.4	L272 L276 A337 V338 L343 G344 L345	L272-L341 HydrophobicContact CD2-CB 3.87Å; L272-L341 HydrophobicContact CD2-CD1 3.99Å; L272-L341 HydrophobicContact CD2-CG 4.37Å; L276-L341 HydrophobicContact CD2-CD1 4.13Å; A337-L341 WeakPolarHBondContact O-CB 3.4Å; A337-L341 PolarHBondContact O-N 3.34Å; V338-L341 PolarHBondContact O-N 3.09Å; L341-L343 PolarHBondContact O-N 3.35Å; L341-G344 PolarHBondContact O-N 2.91Å; L341-L345 HydrophobicContact CD1-CD1 3.94Å; L341-L345 HydrophobicContact CD1-CG 4.05Å; L341-L345 HydrophobicContact CG-CD1 3.93Å; L341-L345 HydrophobicContact CG-CG 4.36Å; L341-L345 WeakPolarHBondContact O-CB 3.48Å; L341-L345 VanDerWaalsContact O-CG 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.27Å; L341-L345 PolarHBondContact O-N 2.84Å
342	L	98.6	Very high	98	Very high	100 Å²	100	56.8 Å²	56.8	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-43.3	178.5	-72.1	176.1	0	0	0	111.7	V338 G339 G344 L345 V346	V338-L342 HydrophobicContact CG1-CD1 3.8Å; V338-L342 HydrophobicContact CG1-CG 4.14Å; V338-L342 WeakPolarHBondContact O-CB 3.39Å; V338-L342 VanDerWaalsContact O-CG 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.48Å; V338-L342 PolarHBondContact O-N 3.37Å; G339-L342 PolarHBondContact O-N 3.21Å; L342-G344 VanDerWaalsContact C-N 3.33Å; L342-G344 PolarHBondContact O-N 2.91Å; L342-L345 PolarHBondContact O-N 3.42Å; L342-V346 VanDerWaalsContact O-CB 3.32Å; L342-V346 WeakPolarHBondContact O-CB 3.46Å; L342-V346 WeakPolarHBondContact O-CG2 3.38Å; L342-V346 PolarHBondContact O-N 2.93Å
343	L	98.7	Very high	97.9	Very high	43 Å²	43	57.2 Å²	57.2	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-46.9	175.7	179.1	65.5	0	0	0	111.3	G339 V340 L341 G347 M413 L416 A417 L420	G339-L343 WeakPolarHBondContact O-CB 3.44Å; G339-L343 PolarHBondContact O-N 3.38Å; V340-L343 PolarHBondContact O-N 3.31Å; L341-L343 PolarHBondContact O-N 3.35Å; L343-G347 PolarHBondContact O-N 3.19Å; L343-M413 HydrophobicContact CD1-CB 4.16Å; L343-M413 HydrophobicContact CD1-CE 3.7Å; L343-M413 HydrophobicContact CD1-CG 4.31Å; L343-L416 HydrophobicContact CD2-CB 4.43Å; L343-L416 HydrophobicContact CD2-CD2 4.14Å; L343-L416 HydrophobicContact CD2-CG 4.11Å; L343-A417 HydrophobicContact CB-CB 4.31Å; L343-A417 HydrophobicContact CD2-CB 4.09Å; L343-A417 HydrophobicContact CG-CB 4.13Å; L343-L420 HydrophobicContact CD2-CD1 3.76Å
344	G	98.3	Very high	97.8	Very high	5 Å²	5	54.4 Å²	54.4	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-45.8	178.4	0	0	0	0	0	112.9	V340 L341 L342 G347 Y348	V340-G344 PolarHBondContact O-N 3.48Å; L341-G344 PolarHBondContact O-N 2.91Å; L342-G344 VanDerWaalsContact C-N 3.33Å; L342-G344 PolarHBondContact O-N 2.91Å; G344-G347 PolarHBondContact O-N 3.46Å; G344-Y348 WeakPolarHBondContact O-CB 3.44Å; G344-Y348 PolarHBondContact O-N 3.18Å
345	L	98.4	Very high	97.7	Very high	66 Å²	66	49.4 Å²	49.4	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-68.8	-38.8	179.8	-68.3	179.4	0	0	0	112.8	L276 I279 L341 L342 Y348 Y349	L276-L345 HydrophobicContact CD2-CD2 4.47Å; I279-L345 HydrophobicContact CD1-CD2 3.86Å; L341-L345 HydrophobicContact CD1-CD1 3.94Å; L341-L345 HydrophobicContact CD1-CG 4.05Å; L341-L345 HydrophobicContact CG-CD1 3.93Å; L341-L345 HydrophobicContact CG-CG 4.36Å; L341-L345 WeakPolarHBondContact O-CB 3.48Å; L341-L345 VanDerWaalsContact O-CG 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.27Å; L341-L345 PolarHBondContact O-N 2.84Å; L342-L345 PolarHBondContact O-N 3.42Å; L345-Y348 PolarHBondContact O-N 3.42Å; L345-Y349 WeakPolarHBondContact O-CB 3.49Å; L345-Y349 PolarHBondContact O-N 3.43Å
346	V	98.6	Very high	97.4	Very high	69 Å²	69	49.6 Å²	49.6	42%	0.418	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-42.5	174.1	173	0	0	0	0	110.3	L342 Y349 I350 M413	L342-V346 VanDerWaalsContact O-CB 3.32Å; L342-V346 WeakPolarHBondContact O-CB 3.46Å; L342-V346 WeakPolarHBondContact O-CG2 3.38Å; L342-V346 PolarHBondContact O-N 2.93Å; V346-Y349 PolarHBondContact O-N 3.03Å; V346-I350 HydrophobicContact CG1-CD1 3.88Å; V346-I350 HydrophobicContact CG1-CG1 4.45Å; V346-I350 WeakPolarHBondContact O-CG1 3.49Å; V346-I350 PolarHBondContact O-N 3.18Å; V346-M413 HydrophobicContact CB-CE 4.2Å; V346-M413 HydrophobicContact CG1-CE 3.71Å
347	G	98.2	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-49.7	173.7	0	0	0	0	0	112	L343 G344 Y349 I350 F351 G410	L343-G347 PolarHBondContact O-N 3.19Å; G344-G347 PolarHBondContact O-N 3.46Å; G347-Y349 PolarHBondContact O-N 3.14Å; G347-I350 PolarHBondContact O-N 3.13Å; G347-F351 WeakPolarHBondContact O-CB 3.36Å; G347-F351 PolarHBondContact O-N 2.61Å; G347-G410 CarbonylContact C-O 3.4Å; G347-G410 VanDerWaalsContact CA-O 3.29Å; G347-G410 WeakPolarHBondContact CA-O 3.34Å; G347-G410 CarbonylContact O-C 3.57Å; G347-G410 WeakPolarHBondContact O-CA 3.37Å
348	Y	97.9	Very high	97.1	Very high	74 Å²	74	45.1 Å²	45.1	29%	0.29	23%	0.232	S	C	.	.	H	α-helix	trans	-57	-48.6	174.3	172.2	-109.5	0	0	0	112.4	I279 D283 G344 L345 I350 F351 R352	I279-Y348 HydrophobicContact CG2-CD1 3.98Å; I279-Y348 HydrophobicContact CG2-CD2 3.75Å; I279-Y348 HydrophobicContact CG2-CE1 4.05Å; I279-Y348 HydrophobicContact CG2-CE2 3.83Å; I279-Y348 HydrophobicContact CG2-CG 3.83Å; D283-Y348 HydrophobicContact CB-CE2 3.76Å; D283-Y348 VanDerWaalsContact CG-CE2 3.4Å; D283-Y348 PolarHBondContact OD1-OH 2.94Å; G344-Y348 WeakPolarHBondContact O-CB 3.44Å; G344-Y348 PolarHBondContact O-N 3.18Å; L345-Y348 PolarHBondContact O-N 3.42Å; Y348-I350 PolarHBondContact O-N 2.99Å; Y348-F351 PolarHBondContact O-N 2.94Å; Y348-R352 HydrophobicContact CE2-CB 4.21Å; Y348-R352 VanDerWaalsContact O-CB 3.27Å; Y348-R352 WeakPolarHBondContact O-CB 3.44Å; Y348-R352 PolarHBondContact O-N 3.4Å
349	Y	97.9	Very high	96.7	Very high	132 Å²	132	43 Å²	43	52%	0.518	22%	0.218	S	C	.	.	H	α-helix	trans	-57.1	-48	178	171.6	-96.4	0	0	0	111.6	L345 V346 G347 R352 V353 F399	L345-Y349 WeakPolarHBondContact O-CB 3.49Å; L345-Y349 PolarHBondContact O-N 3.43Å; V346-Y349 PolarHBondContact O-N 3.03Å; G347-Y349 PolarHBondContact O-N 3.14Å; Y349-R352 PolarHBondContact O-N 2.82Å; Y349-V353 HydrophobicContact CD2-CG2 3.78Å; Y349-V353 HydrophobicContact CE1-CG2 4.38Å; Y349-V353 HydrophobicContact CE2-CG2 3.52Å; Y349-V353 HydrophobicContact CG-CG2 4.32Å; Y349-V353 VanDerWaalsContact O-CB 3.28Å; Y349-V353 WeakPolarHBondContact O-CB 3.25Å; Y349-V353 VanDerWaalsContact O-CG2 3.27Å; Y349-V353 WeakPolarHBondContact O-CG2 3.45Å; Y349-V353 PolarHBondContact O-N 2.83Å; Y349-F399 HydrophobicContact CE1-CZ 4.46Å
350	I	98.1	Very high	96.4	Very high	18 Å²	18	43.9 Å²	43.9	9%	0.092	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-50.1	177.9	-70.3	168	0	0	0	110.4	V346 G347 Y348 R352 A354 F399 F406 M413	V346-I350 HydrophobicContact CG1-CD1 3.88Å; V346-I350 HydrophobicContact CG1-CG1 4.45Å; V346-I350 WeakPolarHBondContact O-CG1 3.49Å; V346-I350 PolarHBondContact O-N 3.18Å; G347-I350 PolarHBondContact O-N 3.13Å; Y348-I350 PolarHBondContact O-N 2.99Å; I350-R352 PolarHBondContact O-N 2.92Å; I350-A354 WeakPolarHBondContact O-CB 3.41Å; I350-A354 PolarHBondContact O-N 3.15Å; I350-F399 HydrophobicContact CG1-CE1 4.26Å; I350-F399 HydrophobicContact CG1-CZ 4.12Å; I350-F399 HydrophobicContact CG2-CE1 4.31Å; I350-F406 HydrophobicContact CD1-CE1 4.24Å; I350-F406 HydrophobicContact CG1-CE1 4.47Å; I350-F406 HydrophobicContact CG2-CD1 3.49Å; I350-F406 VanDerWaalsContact CG2-CD1 3.49Å; I350-F406 HydrophobicContact CG2-CE1 3.56Å; I350-M413 HydrophobicContact CD1-CE 4.34Å; I350-M413 HydrophobicContact CD1-SD 3.78Å
351	F	96.9	Very high	96.3	Very high	23 Å²	23	43.7 Å²	43.7	10%	0.101	21%	0.211	C	C	.	.	H	α-helix	trans	-55.9	-50.3	179.1	170	-97.2	0	0	0	111.6	G347 Y348 N355 N407 D411	G347-F351 WeakPolarHBondContact O-CB 3.36Å; G347-F351 PolarHBondContact O-N 2.61Å; Y348-F351 PolarHBondContact O-N 2.94Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.16Å; F351-N355 PolarHBondContact O-N 3.29Å; F351-N355 VanDerWaalsContact O-N 3.17Å; F351-N355 PolarHBondContact O-ND2 3.15Å; F351-N407 WeakPolarHBondContact CD2-O 3.36Å; F351-D411 HydrophobicContact CD2-CB 4.09Å
352	R	95.3	Very high	95.9	Very high	50 Å²	50	48.5 Å²	48.5	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-47.7	-176	178	46.3	54.1	-172.3	-1.6	111.7	D283 N287 Y348 Y349 I350 N355 H356	D283-R352 IonicContact OD1-CZ 3.69Å; D283-R352 IonicContact OD1-NE 3.87Å; D283-R352 PolarHBondContact OD1-NE 3.03Å; D283-R352 IonicContact OD1-NH2 3.82Å; D283-R352 PolarHBondContact OD1-NH2 3.34Å; D283-R352 IonicContact OD2-CZ 3.32Å; D283-R352 IonicContact OD2-NE 2.93Å; D283-R352 PolarHBondContact OD2-NE 2.59Å; D283-R352 IonicContact OD2-NH2 3.22Å; D283-R352 PolarHBondContact OD2-NH2 2.69Å; N287-R352 PolarHBondContact ND2-NH1 3.5Å; N287-R352 VanDerWaalsContact ND2-NH1 3.2Å; N287-R352 PolarHBondContact ND2-NH2 2.82Å; N287-R352 PolarHBondContact OD1-NH1 2.6Å; Y348-R352 HydrophobicContact CE2-CB 4.21Å; Y348-R352 VanDerWaalsContact O-CB 3.27Å; Y348-R352 WeakPolarHBondContact O-CB 3.44Å; Y348-R352 PolarHBondContact O-N 3.4Å; Y349-R352 PolarHBondContact O-N 2.82Å; I350-R352 PolarHBondContact O-N 2.92Å; R352-N355 PolarHBondContact O-N 2.95Å; R352-H356 WeakPolarHBondContact O-CB 3.21Å; R352-H356 PolarHBondContact O-N 3.34Å
353	V	96.3	Very high	95.5	Very high	32 Å²	32	51.3 Å²	51.3	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-39.8	-178.5	176.3	0	0	0	0	111.4	Y349 N355 H356 Q357 F399	Y349-V353 HydrophobicContact CD2-CG2 3.78Å; Y349-V353 HydrophobicContact CE1-CG2 4.38Å; Y349-V353 HydrophobicContact CE2-CG2 3.52Å; Y349-V353 HydrophobicContact CG-CG2 4.32Å; Y349-V353 VanDerWaalsContact O-CB 3.28Å; Y349-V353 WeakPolarHBondContact O-CB 3.25Å; Y349-V353 VanDerWaalsContact O-CG2 3.27Å; Y349-V353 WeakPolarHBondContact O-CG2 3.45Å; Y349-V353 PolarHBondContact O-N 2.83Å; V353-N355 PolarHBondContact O-N 2.96Å; V353-H356 PolarHBondContact O-N 3.01Å; V353-Q357 HydrophobicContact CG1-CG 4.31Å; V353-Q357 WeakPolarHBondContact O-CB 3.15Å; V353-Q357 VanDerWaalsContact O-CG 3.29Å; V353-Q357 WeakPolarHBondContact O-CG 3.33Å; V353-Q357 PolarHBondContact O-N 3.04Å; V353-F399 HydrophobicContact CB-CD2 4.46Å; V353-F399 HydrophobicContact CB-CE2 3.96Å; V353-F399 HydrophobicContact CG1-CD2 4.09Å; V353-F399 HydrophobicContact CG1-CE2 3.71Å
354	A	96.3	Very high	95.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-46	175	0	0	0	0	0	111.3	I350 Q357 K358 F399 W400 N407	I350-A354 WeakPolarHBondContact O-CB 3.41Å; I350-A354 PolarHBondContact O-N 3.15Å; A354-Q357 PolarHBondContact O-N 3.27Å; A354-K358 PolarHBondContact O-N 3.35Å; A354-F399 HydrophobicContact CB-CB 3.78Å; A354-F399 HydrophobicContact CB-CD2 3.98Å; A354-F399 HydrophobicContact CB-CG 4.09Å; A354-W400 PolarHBondContact O-NE1 3.41Å; A354-N407 HydrophobicContact CB-CB 3.76Å
355	N	94.1	Very high	94.9	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-40.2	175.8	-79.2	-57.4	0	0	0	112.7	W290 F351 R352 V353 K358 D359	W290-N355 WeakPolarHBondContact CZ2-OD1 3.36Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.16Å; F351-N355 PolarHBondContact O-N 3.29Å; F351-N355 VanDerWaalsContact O-N 3.17Å; F351-N355 PolarHBondContact O-ND2 3.15Å; R352-N355 PolarHBondContact O-N 2.95Å; V353-N355 PolarHBondContact O-N 2.96Å; N355-K358 PolarHBondContact O-N 2.89Å; N355-D359 PolarHBondContact O-N 3.47Å
356	H	92.9	Very high	94.6	Very high	103 Å²	103	52.2 Å²	52.2	48%	0.477	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-42.3	175.7	-179.2	72.1	0	0	0	112.1	R352 V353 K358 D359 L360	R352-H356 WeakPolarHBondContact O-CB 3.21Å; R352-H356 PolarHBondContact O-N 3.34Å; V353-H356 PolarHBondContact O-N 3.01Å; H356-K358 VanDerWaalsContact C-N 3.3Å; H356-K358 PolarHBondContact O-N 3.38Å; H356-D359 PolarHBondContact O-N 3.02Å; H356-L360 VanDerWaalsContact O-CB 3.29Å; H356-L360 WeakPolarHBondContact O-CB 3.44Å; H356-L360 PolarHBondContact O-N 2.88Å
357	Q	95.9	Very high	94.3	Very high	8 Å²	8	59 Å²	59	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-56.2	-45	174.9	-76.4	178.3	-9.8	0	0	111.6	V353 A354 F361 I370	V353-Q357 HydrophobicContact CG1-CG 4.31Å; V353-Q357 WeakPolarHBondContact O-CB 3.15Å; V353-Q357 VanDerWaalsContact O-CG 3.29Å; V353-Q357 WeakPolarHBondContact O-CG 3.33Å; V353-Q357 PolarHBondContact O-N 3.04Å; A354-Q357 PolarHBondContact O-N 3.27Å; Q357-F361 WeakPolarHBondContact O-CB 3.42Å; Q357-F361 PolarHBondContact O-N 2.85Å; Q357-I370 HydrophobicContact CB-CD1 4.06Å; Q357-I370 HydrophobicContact CG-CD1 4.05Å; Q357-I370 HydrophobicContact CG-CG2 4.19Å
358	K	93	Very high	94.2	Very high	41 Å²	41	59.8 Å²	59.8	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-44.4	176.7	-179.9	175.5	63	-166.8	0	112	A354 N355 H356 R362 W400	A354-K358 PolarHBondContact O-N 3.35Å; N355-K358 PolarHBondContact O-N 2.89Å; H356-K358 VanDerWaalsContact C-N 3.3Å; H356-K358 PolarHBondContact O-N 3.38Å; K358-R362 WeakPolarHBondContact O-CB 3.47Å; K358-R362 WeakPolarHBondContact O-CG 3.45Å; K358-R362 PolarHBondContact O-N 2.85Å; K358-W400 HydrophobicContact CB-CZ2 3.78Å; K358-W400 HydrophobicContact CD-CH2 3.79Å; K358-W400 HydrophobicContact CD-CZ2 3.62Å; K358-W400 HydrophobicContact CD-CZ3 4.42Å; K358-W400 HydrophobicContact CG-CZ2 4.26Å
359	D	90.3	Very high	94.1	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-47.9	-179.2	-169.6	57.3	0	0	0	111.5	K293 N355 H356 F361 R362 R363	K293-D359 IonicContact NZ-OD1 3.66Å; N355-D359 PolarHBondContact O-N 3.47Å; H356-D359 PolarHBondContact O-N 3.02Å; D359-F361 VanDerWaalsContact C-N 3.33Å; D359-F361 PolarHBondContact O-N 3.39Å; D359-R362 PolarHBondContact O-N 3.45Å; D359-R363 WeakPolarHBondContact O-CB 3.27Å; D359-R363 WeakPolarHBondContact O-CG 3.27Å; D359-R363 PolarHBondContact O-N 2.87Å; D359-R363 IonicContact OD1-NE 2.68Å; D359-R363 PolarHBondContact OD1-NE 3.11Å; D359-R363 IonicContact OD1-NH2 2.75Å; D359-R363 IonicContact OD2-CZ 2.7Å; D359-R363 VanDerWaalsContact OD2-CZ 3.22Å; D359-R363 IonicContact OD2-NE 3.12Å; D359-R363 PolarHBondContact OD2-NE 3.29Å; D359-R363 IonicContact OD2-NH2 2.87Å; D359-R363 PolarHBondContact OD2-NH2 3.28Å
360	L	92.5	Very high	94	Very high	56 Å²	56	55.6 Å²	55.6	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-57.6	-46.4	175.3	178.8	63.5	0	0	0	111.3	H356 R362 R363 T364 C368	H356-L360 VanDerWaalsContact O-CB 3.29Å; H356-L360 WeakPolarHBondContact O-CB 3.44Å; H356-L360 PolarHBondContact O-N 2.88Å; L360-R362 PolarHBondContact O-N 3.33Å; L360-R363 PolarHBondContact O-N 3.38Å; L360-T364 HydrophobicContact CD1-CG2 3.89Å; L360-T364 WeakPolarHBondContact O-CB 3.31Å; L360-T364 WeakPolarHBondContact O-CG2 3.39Å; L360-T364 PolarHBondContact O-N 3.15Å; L360-T364 PolarHBondContact O-OG1 2.91Å; L360-C368 HydrophobicContact CD1-CB 4.37Å; L360-C368 HydrophobicContact CD2-CB 4.05Å; L360-C368 HydrophobicContact CG-CB 3.87Å
361	F	95.3	Very high	93.9	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-46.4	177.2	175.5	-104	0	0	0	112.1	Q357 D359 T364 D365 G366 P375 V377 K393 L395	Q357-F361 WeakPolarHBondContact O-CB 3.42Å; Q357-F361 PolarHBondContact O-N 2.85Å; D359-F361 VanDerWaalsContact C-N 3.33Å; D359-F361 PolarHBondContact O-N 3.39Å; F361-T364 PolarHBondContact O-OG1 3.29Å; F361-D365 PolarHBondContact O-N 2.87Å; F361-G366 VanDerWaalsContact CE2-CA 3.48Å; F361-G366 PolarHBondContact O-N 3.42Å; F361-P375 HydrophobicContact CD2-CB 4.25Å; F361-P375 HydrophobicContact CD2-CG 4.19Å; F361-P375 HydrophobicContact CE2-CB 4.25Å; F361-P375 HydrophobicContact CE2-CG 4.19Å; F361-V377 HydrophobicContact CE2-CG1 3.36Å; F361-V377 HydrophobicContact CZ-CB 4.35Å; F361-V377 HydrophobicContact CZ-CG1 3.51Å; F361-K393 HydrophobicContact CE1-CB 3.91Å; F361-K393 HydrophobicContact CZ-CB 3.63Å; F361-L395 HydrophobicContact CB-CD2 4.15Å; F361-L395 HydrophobicContact CD1-CB 3.92Å; F361-L395 HydrophobicContact CD2-CB 4.46Å; F361-L395 HydrophobicContact CD2-CD1 3.84Å; F361-L395 HydrophobicContact CE1-CB 3.95Å; F361-L395 HydrophobicContact CE2-CB 4.5Å; F361-L395 HydrophobicContact CE2-CD1 4.04Å; F361-L395 HydrophobicContact CG-CB 4.18Å; F361-L395 HydrophobicContact CG-CD1 4.21Å; F361-L395 HydrophobicContact CG-CD2 4.21Å; F361-L395 HydrophobicContact CG-CG 4.44Å; F361-L395 HydrophobicContact CZ-CB 4.24Å
362	R	90.9	Very high	93.8	Very high	160 Å²	160	63.5 Å²	63.5	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-68.5	-42.4	179.2	-74.8	-176.6	176.9	179.8	0.9	112.7	K358 D359 L360 T364 D365	K358-R362 WeakPolarHBondContact O-CB 3.47Å; K358-R362 WeakPolarHBondContact O-CG 3.45Å; K358-R362 PolarHBondContact O-N 2.85Å; D359-R362 PolarHBondContact O-N 3.45Å; L360-R362 PolarHBondContact O-N 3.33Å; R362-T364 VanDerWaalsContact C-N 3.32Å; R362-T364 PolarHBondContact O-N 2.61Å; R362-D365 PolarHBondContact O-N 2.86Å
363	R	89.1	Confident	93.8	Very high	159 Å²	159	70.6 Å²	70.6	60%	0.6	33%	0.326	S	S	*	.	H	α-helix	trans	-67.1	-33.2	-179.7	-71.9	-175.4	-166.9	-139.1	11.2	113.1	D359 L360	D359-R363 WeakPolarHBondContact O-CB 3.27Å; D359-R363 WeakPolarHBondContact O-CG 3.27Å; D359-R363 PolarHBondContact O-N 2.87Å; D359-R363 IonicContact OD1-NE 2.68Å; D359-R363 PolarHBondContact OD1-NE 3.11Å; D359-R363 IonicContact OD1-NH2 2.75Å; D359-R363 IonicContact OD2-CZ 2.7Å; D359-R363 VanDerWaalsContact OD2-CZ 3.22Å; D359-R363 IonicContact OD2-NE 3.12Å; D359-R363 PolarHBondContact OD2-NE 3.29Å; D359-R363 IonicContact OD2-NH2 2.87Å; D359-R363 PolarHBondContact OD2-NH2 3.28Å; L360-R363 PolarHBondContact O-N 3.38Å
364	T	92.8	Very high	93.8	Very high	33 Å²	33	77.5 Å²	77.5	20%	0.202	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.2	-178.9	59.6	0	0	0	0	113.1	L360 F361 R362 G366 R367 C368	L360-T364 HydrophobicContact CD1-CG2 3.89Å; L360-T364 WeakPolarHBondContact O-CB 3.31Å; L360-T364 WeakPolarHBondContact O-CG2 3.39Å; L360-T364 PolarHBondContact O-N 3.15Å; L360-T364 PolarHBondContact O-OG1 2.91Å; F361-T364 PolarHBondContact O-OG1 3.29Å; R362-T364 VanDerWaalsContact C-N 3.32Å; R362-T364 PolarHBondContact O-N 2.61Å; T364-G366 PolarHBondContact O-N 3.09Å; T364-R367 VanDerWaalsContact O-CB 3.28Å; T364-R367 WeakPolarHBondContact O-CB 3.4Å; T364-R367 PolarHBondContact O-N 2.88Å; T364-R367 PolarHBondContact O-NE 3.04Å; T364-C368 HydrophobicContact CG2-CB 4.18Å; T364-C368 WeakPolarHBondContact OG1-CB 3.44Å
365	D	92.2	Very high	93.8	Very high	88 Å²	88	78.1 Å²	78.1	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.4	-172.2	-172.7	36.3	0	0	0	112.4	F361 R362 R367 K393	F361-D365 PolarHBondContact O-N 2.87Å; R362-D365 PolarHBondContact O-N 2.86Å; D365-R367 VanDerWaalsContact C-N 3.31Å; D365-R367 PolarHBondContact O-N 3.36Å; D365-K393 PolarHBondContact O-NZ 3Å; D365-K393 IonicContact OD1-NZ 2.83Å; D365-K393 PolarHBondContact OD1-NZ 3.46Å; D365-K393 IonicContact OD2-NZ 2.8Å; D365-K393 PolarHBondContact OD2-NZ 2.91Å
366	G	91.6	Very high	93.9	Very high	12 Å²	12	85.1 Å²	85.1	12%	0.124	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	1.9	-177.7	0	0	0	0	0	115.6	F361 T364 C368 P375	F361-G366 VanDerWaalsContact CE2-CA 3.48Å; F361-G366 PolarHBondContact O-N 3.42Å; T364-G366 PolarHBondContact O-N 3.09Å; G366-C368 PolarHBondContact O-N 3.42Å; G366-C368 VanDerWaalsContact O-N 3.09Å; G366-P375 WeakPolarHBondContact O-CG 3.39Å
367	R	93.8	Very high	94.1	Very high	210 Å²	210	83 Å²	83	79%	0.792	38%	0.382	S	S	*	.			trans	-85.6	58.8	175	-58.9	177	-68.3	177.1	-1.6	111.3	T364 D365	T364-R367 VanDerWaalsContact O-CB 3.28Å; T364-R367 WeakPolarHBondContact O-CB 3.4Å; T364-R367 PolarHBondContact O-N 2.88Å; T364-R367 PolarHBondContact O-NE 3.04Å; D365-R367 VanDerWaalsContact C-N 3.31Å; D365-R367 PolarHBondContact O-N 3.36Å
368	C	95.2	Very high	94.1	Very high	17 Å²	17	83.3 Å²	83.3	12%	0.115	38%	0.384	C	S	.	.	S	Bend	trans	-139.7	177.8	177.5	65.6	0	0	0	0	110.9	L360 T364 G366 P375	L360-C368 HydrophobicContact CD1-CB 4.37Å; L360-C368 HydrophobicContact CD2-CB 4.05Å; L360-C368 HydrophobicContact CG-CB 3.87Å; T364-C368 HydrophobicContact CG2-CB 4.18Å; T364-C368 WeakPolarHBondContact OG1-CB 3.44Å; G366-C368 PolarHBondContact O-N 3.42Å; G366-C368 VanDerWaalsContact O-N 3.09Å; C368-P375 WeakPolarHBondContact O-CD 3.26Å
369	L	96.4	Very high	94.2	Very high	109 Å²	109	87.8 Å²	87.8	57%	0.571	41%	0.405	S	S	*	.			trans	-109	135.2	168.6	-61.3	177.2	0	0	0	109.3	R373	L369-R373 CarbonylContact C-O 3.6Å; L369-R373 WeakPolarHBondContact CA-O 3.31Å
370	I	96.1	Very high	94.3	Very high	9 Å²	9	86.6 Å²	86.6	5%	0.046	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-117.5	116.6	172.9	-57.7	-63.7	0	0	0	106.9	Q357 G372 R373 P375 L395	Q357-I370 HydrophobicContact CB-CD1 4.06Å; Q357-I370 HydrophobicContact CG-CD1 4.05Å; Q357-I370 HydrophobicContact CG-CG2 4.19Å; I370-G372 VanDerWaalsContact C-N 3.27Å; I370-G372 PolarHBondContact O-N 3.18Å; I370-R373 PolarHBondContact N-O 2.88Å; I370-R373 PolarHBondContact O-N 2.65Å; I370-P375 HydrophobicContact CG1-CB 3.99Å; I370-L395 HydrophobicContact CG1-CD1 4.37Å
371	W	95.6	Very high	94.2	Very high	145 Å²	145	85.9 Å²	85.9	55%	0.549	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	46.6	-170.2	-62.8	-21.5	0	0	0	113	R373 F399 V402	W371-R373 PolarHBondContact O-N 2.85Å; W371-F399 HydrophobicContact CH2-CD1 4.31Å; W371-F399 HydrophobicContact CH2-CE1 4.47Å; W371-F399 HydrophobicContact CZ2-CD1 4Å; W371-F399 AromaticContact CZ2-CD2 3.99Å; W371-F399 HydrophobicContact CZ2-CD2 3.99Å; W371-F399 AromaticContact CZ2-CE1 3.99Å; W371-F399 HydrophobicContact CZ2-CE1 3.99Å; W371-F399 AromaticContact CZ2-CE2 3.97Å; W371-F399 HydrophobicContact CZ2-CE2 3.97Å; W371-F399 HydrophobicContact CZ2-CG 4.02Å; W371-F399 AromaticContact CZ2-CZ 3.98Å; W371-F399 HydrophobicContact CZ2-CZ 3.98Å; W371-V402 HydrophobicContact CH2-CG2 4.3Å
372	G	94.4	Very high	93.7	Very high	63 Å²	63	88.1 Å²	88.1	65%	0.649	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	3.7	176.5	0	0	0	0	0	115.4	I370	I370-G372 VanDerWaalsContact C-N 3.27Å; I370-G372 PolarHBondContact O-N 3.18Å
373	R	95.5	Very high	93.3	Very high	198 Å²	198	84.8 Å²	84.8	75%	0.747	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-123.7	155.4	-178.5	-60.4	-178	-175.8	-175.9	0.8	111.4	L369 I370 W371	L369-R373 CarbonylContact C-O 3.6Å; L369-R373 WeakPolarHBondContact CA-O 3.31Å; I370-R373 PolarHBondContact N-O 2.88Å; I370-R373 PolarHBondContact O-N 2.65Å; W371-R373 PolarHBondContact O-N 2.85Å
374	K	96.3	Very high	92.6	Very high	178 Å²	178	79.3 Å²	79.3	77%	0.774	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-59.3	130.4	171.8	-172	178.4	-179.3	-179.7	0	109
375	P	96.6	Very high	91.4	Very high	12 Å²	12	82 Å²	82	8%	0.078	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-63	139.2	-177.1	23.7	-33.7	0	0	0	110.8	F361 G366 C368 I370 V377 L395 S397	F361-P375 HydrophobicContact CD2-CB 4.25Å; F361-P375 HydrophobicContact CD2-CG 4.19Å; F361-P375 HydrophobicContact CE2-CB 4.25Å; F361-P375 HydrophobicContact CE2-CG 4.19Å; G366-P375 WeakPolarHBondContact O-CG 3.39Å; C368-P375 WeakPolarHBondContact O-CD 3.26Å; I370-P375 HydrophobicContact CG1-CB 3.99Å; P375-V377 HydrophobicContact CB-CG1 4.28Å; P375-V377 HydrophobicContact CG-CG1 4.5Å; P375-L395 HydrophobicContact CB-CD1 3.57Å; P375-S397 WeakPolarHBondContact CA-OG 3.48Å
376	K	96.7	Very high	90.4	Very high	153 Å²	153	83 Å²	83	67%	0.665	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-79.2	133.2	165.2	-64	-178.6	178.8	-179.4	0	108.1	V396 S397	K376-V396 VanDerWaalsContact C-CG2 3.43Å; K376-V396 HydrophobicContact CB-CG2 3.61Å; K376-V396 VanDerWaalsContact O-CG2 3.26Å; K376-V396 WeakPolarHBondContact O-CG2 3.25Å; K376-V396 PolarHBondContact O-N 2.92Å; K376-S397 PolarHBondContact N-OG 3.5Å; K376-S397 VanDerWaalsContact N-OG 3.09Å
377	V	96.7	Very high	89.7	Confident	57 Å²	57	85 Å²	85	35%	0.345	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153	-172.4	-56.7	0	0	0	0	111.8	F361 P375 L394	F361-V377 HydrophobicContact CE2-CG1 3.36Å; F361-V377 HydrophobicContact CZ-CB 4.35Å; F361-V377 HydrophobicContact CZ-CG1 3.51Å; P375-V377 HydrophobicContact CB-CG1 4.28Å; P375-V377 HydrophobicContact CG-CG1 4.5Å; V377-L394 CarbonylContact C-O 3.57Å; V377-L394 VanDerWaalsContact CA-O 3.29Å; V377-L394 WeakPolarHBondContact CA-O 3.32Å
378	I	95.9	Very high	89.1	Confident	15 Å²	15	80.6 Å²	80.6	8%	0.077	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.1	164.1	-62.4	175	0	0	0	106.7	K393 L394 V396 R461 Y462 A465	I378-K393 CarbonylContact O-C 3.55Å; I378-K393 WeakPolarHBondContact O-CA 3.48Å; I378-L394 HydrophobicContact CB-CB 4.42Å; I378-L394 PolarHBondContact N-O 3.17Å; I378-L394 PolarHBondContact O-N 3.27Å; I378-V396 HydrophobicContact CD1-CG1 3.84Å; I378-V396 HydrophobicContact CG1-CG1 4.11Å; I378-V396 HydrophobicContact CG1-CG2 4.47Å; I378-R461 HydrophobicContact CD1-CB 4.17Å; I378-Y462 HydrophobicContact CD1-CD2 4.31Å; I378-A465 HydrophobicContact CD1-CB 4.37Å
379	E	94.8	Very high	88.7	Confident	135 Å²	135	87.8 Å²	87.8	63%	0.631	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.7	172.6	-60.6	-166.7	155.7	0	0	109.3	K393	E379-K393 HydrophobicContact CG-CG 4.49Å
380	C	92.8	Very high	88.3	Confident	2 Å²	2	85.8 Å²	85.8	1%	0.014	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.6	-176.4	-48.2	0	0	0	0	110	H391 S392 L394 Y455 D458	C380-H391 WeakPolarHBondContact O-CA 3.29Å; C380-S392 PolarHBondContact N-O 3.22Å; C380-S392 PolarHBondContact O-N 2.83Å; C380-L394 VanDerWaalsContact SG-CD1 3.52Å; C380-L394 VanDerWaalsContact SG-CG 3.56Å; C380-Y455 HydrophobicContact CB-CD1 3.7Å; C380-Y455 HydrophobicContact CB-CE1 4.19Å; C380-Y455 HydrophobicContact CB-CG 4.39Å; C380-D458 VanDerWaalsContact CA-OD2 3.3Å; C380-D458 WeakPolarHBondContact CA-OD2 3.49Å; C380-D458 HydrophobicContact CB-CB 3.91Å; C380-D458 VanDerWaalsContact SG-CB 3.59Å
381	S	89.8	Confident	88	Confident	41 Å²	41	93 Å²	93	29%	0.287	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.9	166.8	71.5	0	0	0	0	110.2	R389 H390 D458	S381-R389 PolarHBondContact OG-NH2 3.27Å; S381-H390 WeakPolarHBondContact CA-O 3.36Å; S381-D458 PolarHBondContact N-OD2 3.24Å
382	Y	85.7	Confident	87.8	Confident	54 Å²	54	87.7 Å²	87.7	21%	0.212	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.2	175.5	69.4	-86.9	0	0	0	110.5	H390 K454 Y455	Y382-H390 HydrophobicContact CD1-CB 4.09Å; Y382-H390 HydrophobicContact CD2-CB 4.3Å; Y382-H390 HydrophobicContact CE1-CB 3.58Å; Y382-H390 HydrophobicContact CE2-CB 3.8Å; Y382-H390 AromaticContact CE2-CD2 3.85Å; Y382-H390 HydrophobicContact CG-CB 4.43Å; Y382-H390 VanDerWaalsContact CZ-CB 3.42Å; Y382-H390 AromaticContact CZ-CG 3.94Å; Y382-H390 PolarHBondContact N-O 3.35Å; Y382-H390 PolarHBondContact O-N 2.97Å; Y382-K454 WeakPolarHBondContact CB-O 3.41Å; Y382-K454 VanDerWaalsContact CD1-CE 3.48Å; Y382-K454 HydrophobicContact CD1-CG 4.48Å; Y382-K454 HydrophobicContact CD2-CD 4.43Å; Y382-K454 VanDerWaalsContact CD2-CE 3.41Å; Y382-K454 HydrophobicContact CD2-CG 4.09Å; Y382-K454 HydrophobicContact CG-CD 4.45Å; Y382-K454 HydrophobicContact CG-CG 3.97Å; Y382-K454 VanDerWaalsContact CZ-NZ 3.27Å; Y382-K454 PolarHBondContact OH-NZ 2.51Å; Y382-Y455 HydrophobicContact CD1-CD1 4.15Å; Y382-Y455 AromaticContact CD1-CE1 3.71Å; Y382-Y455 HydrophobicContact CD1-CE1 3.71Å; Y382-Y455 HydrophobicContact CE1-CE1 4.17Å; Y382-Y455 HydrophobicContact CG-CE1 4.45Å
383	T	81.6	Confident	87.8	Confident	90 Å²	90	87.2 Å²	87.2	55%	0.552	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.3	174.9	-52.6	0	0	0	0	108.6	Q388	T383-Q388 CarbonylContact C-O 3.6Å; T383-Q388 WeakPolarHBondContact CA-O 3.33Å
384	S	74.3	Confident	87.8	Confident	44 Å²	44	78.7 Å²	78.7	31%	0.308	41%	0.41	S	S	.	.			trans	-79	167.1	175.4	165.8	0	0	0	0	110.8	D386 G387 Q388 H390	S384-D386 WeakPolarHBondContact CB-OD1 3.37Å; S384-D386 PolarHBondContact O-N 3.31Å; S384-D386 VanDerWaalsContact O-N 3.16Å; S384-D386 PolarHBondContact OG-OD1 2.91Å; S384-G387 PolarHBondContact O-N 3.47Å; S384-Q388 PolarHBondContact N-O 3.44Å; S384-H390 WeakPolarHBondContact CB-NE2 3.38Å
385	A	68.6	Low	87.8	Confident	91 Å²	91	70.7 Å²	70.7	75%	0.752	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.1	-178.2	0	0	0	0	0	113.4	G387	A385-G387 VanDerWaalsContact C-N 3.27Å
386	D	71.1	Confident	87.8	Confident	108 Å²	108	71.2 Å²	71.2	58%	0.578	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	4.5	172.4	62.3	-13.2	0	0	0	113.4	S384 Q388	S384-D386 WeakPolarHBondContact CB-OD1 3.37Å; S384-D386 PolarHBondContact O-N 3.31Å; S384-D386 VanDerWaalsContact O-N 3.16Å; S384-D386 PolarHBondContact OG-OD1 2.91Å; D386-Q388 VanDerWaalsContact C-N 3.27Å; D386-Q388 PolarHBondContact O-N 3.01Å; D386-Q388 PolarHBondContact OD1-N 3.42Å; D386-Q388 WeakPolarHBondContact OD2-CG 3.13Å
387	G	76.7	Confident	87.8	Confident	53 Å²	53	64.9 Å²	64.9	55%	0.546	35%	0.354	S	S	.	.	S	Bend	trans	80.5	0.2	179.7	0	0	0	0	0	114.5	S384 A385	S384-G387 PolarHBondContact O-N 3.47Å; A385-G387 VanDerWaalsContact C-N 3.27Å
388	Q	81.6	Confident	87.8	Confident	118 Å²	118	62.6 Å²	62.6	55%	0.551	34%	0.342	S	S	*	.			trans	-77.7	135	-179.8	-64.9	-64.1	-19	0	0	111.4	T383 S384 D386 H390	T383-Q388 CarbonylContact C-O 3.6Å; T383-Q388 WeakPolarHBondContact CA-O 3.33Å; S384-Q388 PolarHBondContact N-O 3.44Å; D386-Q388 VanDerWaalsContact C-N 3.27Å; D386-Q388 PolarHBondContact O-N 3.01Å; D386-Q388 PolarHBondContact OD1-N 3.42Å; D386-Q388 WeakPolarHBondContact OD2-CG 3.13Å; Q388-H390 PolarHBondContact O-CD2 3.39Å; Q388-H390 VanDerWaalsContact O-CD2 3.24Å
389	R	86	Confident	87.9	Confident	168 Å²	168	62.9 Å²	62.9	63%	0.634	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.3	172.6	-73.2	-175	86.1	-179.1	4.2	110	S381	S381-R389 PolarHBondContact OG-NH2 3.27Å
390	H	86.9	Confident	88	Confident	68 Å²	68	57.5 Å²	57.5	32%	0.315	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.5	177	-62.3	-84.6	0	0	0	110.6	S381 Y382 S384 Q388	S381-H390 WeakPolarHBondContact CA-O 3.36Å; Y382-H390 HydrophobicContact CD1-CB 4.09Å; Y382-H390 HydrophobicContact CD2-CB 4.3Å; Y382-H390 HydrophobicContact CE1-CB 3.58Å; Y382-H390 HydrophobicContact CE2-CB 3.8Å; Y382-H390 AromaticContact CE2-CD2 3.85Å; Y382-H390 HydrophobicContact CG-CB 4.43Å; Y382-H390 VanDerWaalsContact CZ-CB 3.42Å; Y382-H390 AromaticContact CZ-CG 3.94Å; Y382-H390 PolarHBondContact N-O 3.35Å; Y382-H390 PolarHBondContact O-N 2.97Å; S384-H390 WeakPolarHBondContact CB-NE2 3.38Å; Q388-H390 PolarHBondContact O-CD2 3.39Å; Q388-H390 VanDerWaalsContact O-CD2 3.24Å
391	H	90.3	Very high	88.2	Confident	160 Å²	160	58.8 Å²	58.8	74%	0.741	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.8	172.4	-64.9	-83.2	0	0	0	109.8	C380	C380-H391 WeakPolarHBondContact O-CA 3.29Å
392	S	92	Very high	88.5	Confident	33 Å²	33	59.3 Å²	59.3	23%	0.231	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.8	178	-174.6	0	0	0	0	109.5	C380 Y455	C380-S392 PolarHBondContact N-O 3.22Å; C380-S392 PolarHBondContact O-N 2.83Å; S392-Y455 PolarHBondContact OG-OH 2.85Å
393	K	94.3	Very high	89.1	Confident	54 Å²	54	56.8 Å²	56.8	24%	0.235	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.7	176.6	-61.1	171.7	177.5	151.7	0	109.6	F361 D365 I378 E379	F361-K393 HydrophobicContact CE1-CB 3.91Å; F361-K393 HydrophobicContact CZ-CB 3.63Å; D365-K393 PolarHBondContact O-NZ 3Å; D365-K393 IonicContact OD1-NZ 2.83Å; D365-K393 PolarHBondContact OD1-NZ 3.46Å; D365-K393 IonicContact OD2-NZ 2.8Å; D365-K393 PolarHBondContact OD2-NZ 2.91Å; I378-K393 CarbonylContact O-C 3.55Å; I378-K393 WeakPolarHBondContact O-CA 3.48Å; E379-K393 HydrophobicContact CG-CG 4.49Å
394	L	95.6	Very high	89.8	Confident	18 Å²	18	53 Å²	53	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.1	172.6	-63.2	176.6	0	0	0	109.8	V377 I378 C380 Y455 W459 Y462	V377-L394 CarbonylContact C-O 3.57Å; V377-L394 VanDerWaalsContact CA-O 3.29Å; V377-L394 WeakPolarHBondContact CA-O 3.32Å; I378-L394 HydrophobicContact CB-CB 4.42Å; I378-L394 PolarHBondContact N-O 3.17Å; I378-L394 PolarHBondContact O-N 3.27Å; C380-L394 VanDerWaalsContact SG-CD1 3.52Å; C380-L394 VanDerWaalsContact SG-CG 3.56Å; L394-Y455 HydrophobicContact CD1-CD2 4.31Å; L394-Y455 HydrophobicContact CD2-CD2 4.4Å; L394-Y455 HydrophobicContact CD2-CE2 3.94Å; L394-W459 HydrophobicContact CD1-CE3 3.87Å; L394-W459 HydrophobicContact CD1-CZ3 4.21Å; L394-Y462 HydrophobicContact CB-CD2 3.74Å; L394-Y462 HydrophobicContact CB-CE2 4.07Å; L394-Y462 HydrophobicContact CB-CG 4.39Å; L394-Y462 HydrophobicContact CD1-CD2 4.11Å; L394-Y462 HydrophobicContact CD1-CG 3.91Å
395	L	96.6	Very high	90.9	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117	-176.7	177	64.2	0	0	0	110.5	F361 I370 P375 S397 W400 Y462	F361-L395 HydrophobicContact CB-CD2 4.15Å; F361-L395 HydrophobicContact CD1-CB 3.92Å; F361-L395 HydrophobicContact CD2-CB 4.46Å; F361-L395 HydrophobicContact CD2-CD1 3.84Å; F361-L395 HydrophobicContact CE1-CB 3.95Å; F361-L395 HydrophobicContact CE2-CB 4.5Å; F361-L395 HydrophobicContact CE2-CD1 4.04Å; F361-L395 HydrophobicContact CG-CB 4.18Å; F361-L395 HydrophobicContact CG-CD1 4.21Å; F361-L395 HydrophobicContact CG-CD2 4.21Å; F361-L395 HydrophobicContact CG-CG 4.44Å; F361-L395 HydrophobicContact CZ-CB 4.24Å; I370-L395 HydrophobicContact CG1-CD1 4.37Å; P375-L395 HydrophobicContact CB-CD1 3.57Å; L395-S397 VanDerWaalsContact CD1-OG 3.28Å; L395-S397 WeakPolarHBondContact CD1-OG 3.43Å; L395-W400 HydrophobicContact CB-CB 4.43Å; L395-W400 HydrophobicContact CD2-CB 4.17Å; L395-W400 HydrophobicContact CD2-CG 4.08Å; L395-W400 HydrophobicContact CG-CB 4.15Å; L395-W400 WeakPolarHBondContact O-CB 3.47Å; L395-Y462 WeakPolarHBondContact O-CE2 3.33Å
396	V	96.8	Very high	92.2	Very high	24 Å²	24	48.2 Å²	48.2	15%	0.145	25%	0.254	C	S	.	.			trans	-112.3	35.2	179.2	-65.4	0	0	0	0	112.1	K376 I378 Y462 A465 V466	K376-V396 VanDerWaalsContact C-CG2 3.43Å; K376-V396 HydrophobicContact CB-CG2 3.61Å; K376-V396 VanDerWaalsContact O-CG2 3.26Å; K376-V396 WeakPolarHBondContact O-CG2 3.25Å; K376-V396 PolarHBondContact O-N 2.92Å; I378-V396 HydrophobicContact CD1-CG1 3.84Å; I378-V396 HydrophobicContact CG1-CG1 4.11Å; I378-V396 HydrophobicContact CG1-CG2 4.47Å; V396-Y462 HydrophobicContact CG1-CD2 3.31Å; V396-Y462 HydrophobicContact CG1-CE2 3.43Å; V396-Y462 VanDerWaalsContact CG1-CE2 3.43Å; V396-A465 HydrophobicContact CG1-CB 4.21Å; V396-V466 HydrophobicContact CB-CG2 4.13Å; V396-V466 HydrophobicContact CG1-CG2 4.03Å
397	S	96.6	Very high	93.4	Very high	20 Å²	20	43.3 Å²	43.3	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-146.4	168.7	178.9	55.5	0	0	0	0	111.4	P375 K376 L395 G401	P375-S397 WeakPolarHBondContact CA-OG 3.48Å; K376-S397 PolarHBondContact N-OG 3.5Å; K376-S397 VanDerWaalsContact N-OG 3.09Å; L395-S397 VanDerWaalsContact CD1-OG 3.28Å; L395-S397 WeakPolarHBondContact CD1-OG 3.43Å; S397-G401 PolarHBondContact O-N 3.37Å
398	G	97	Very high	94.4	Very high	9 Å²	9	41.9 Å²	41.9	9%	0.093	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-146.7	-168.6	0	0	0	0	0	110.9	W400 G401 V402	G398-W400 VanDerWaalsContact C-N 3.25Å; G398-W400 PolarHBondContact O-N 3.36Å; G398-G401 PolarHBondContact O-N 3.47Å; G398-V402 PolarHBondContact O-N 2.96Å
399	F	97.6	Very high	95.1	Very high	21 Å²	21	36.9 Å²	36.9	9%	0.092	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-32.5	177.4	-75.2	-62.2	0	0	0	112.8	Y349 I350 V353 A354 W371 G401 V402 A403 F406	Y349-F399 HydrophobicContact CE1-CZ 4.46Å; I350-F399 HydrophobicContact CG1-CE1 4.26Å; I350-F399 HydrophobicContact CG1-CZ 4.12Å; I350-F399 HydrophobicContact CG2-CE1 4.31Å; V353-F399 HydrophobicContact CB-CD2 4.46Å; V353-F399 HydrophobicContact CB-CE2 3.96Å; V353-F399 HydrophobicContact CG1-CD2 4.09Å; V353-F399 HydrophobicContact CG1-CE2 3.71Å; A354-F399 HydrophobicContact CB-CB 3.78Å; A354-F399 HydrophobicContact CB-CD2 3.98Å; A354-F399 HydrophobicContact CB-CG 4.09Å; W371-F399 HydrophobicContact CH2-CD1 4.31Å; W371-F399 HydrophobicContact CH2-CE1 4.47Å; W371-F399 HydrophobicContact CZ2-CD1 4Å; W371-F399 AromaticContact CZ2-CD2 3.99Å; W371-F399 HydrophobicContact CZ2-CD2 3.99Å; W371-F399 AromaticContact CZ2-CE1 3.99Å; W371-F399 HydrophobicContact CZ2-CE1 3.99Å; W371-F399 AromaticContact CZ2-CE2 3.97Å; W371-F399 HydrophobicContact CZ2-CE2 3.97Å; W371-F399 HydrophobicContact CZ2-CG 4.02Å; W371-F399 AromaticContact CZ2-CZ 3.98Å; W371-F399 HydrophobicContact CZ2-CZ 3.98Å; F399-G401 PolarHBondContact O-N 3.45Å; F399-V402 WeakPolarHBondContact O-CB 3.19Å; F399-V402 PolarHBondContact O-N 2.86Å; F399-A403 PolarHBondContact O-N 3.18Å; F399-A403 VanDerWaalsContact O-O 3.13Å; F399-F406 HydrophobicContact CB-CB 4.22Å; F399-F406 HydrophobicContact CB-CD1 4.21Å; F399-F406 AromaticContact CD1-CD1 3.21Å; F399-F406 HydrophobicContact CD1-CD1 3.21Å; F399-F406 AromaticContact CD1-CE1 3.47Å; F399-F406 HydrophobicContact CD1-CE1 3.47Å; F399-F406 VanDerWaalsContact CD1-CE1 3.47Å; F399-F406 HydrophobicContact CD1-CG 4.13Å; F399-F406 AromaticContact CE1-CD1 3.78Å; F399-F406 HydrophobicContact CE1-CD1 3.78Å; F399-F406 AromaticContact CE1-CE1 3.56Å; F399-F406 HydrophobicContact CE1-CE1 3.56Å; F399-F406 AromaticContact CG-CD1 4Å; F399-F406 HydrophobicContact CG-CD1 4Å
400	W	97.1	Very high	95.7	Very high	21 Å²	21	29 Å²	29	8%	0.08	15%	0.154	C	C	.	.	H	α-helix	trans	-71.6	-14.3	175.7	-58.9	89.1	0	0	0	113.3	A354 K358 L395 G398 R404 N407	A354-W400 PolarHBondContact O-NE1 3.41Å; K358-W400 HydrophobicContact CB-CZ2 3.78Å; K358-W400 HydrophobicContact CD-CH2 3.79Å; K358-W400 HydrophobicContact CD-CZ2 3.62Å; K358-W400 HydrophobicContact CD-CZ3 4.42Å; K358-W400 HydrophobicContact CG-CZ2 4.26Å; L395-W400 HydrophobicContact CB-CB 4.43Å; L395-W400 HydrophobicContact CD2-CB 4.17Å; L395-W400 HydrophobicContact CD2-CG 4.08Å; L395-W400 HydrophobicContact CG-CB 4.15Å; L395-W400 WeakPolarHBondContact O-CB 3.47Å; G398-W400 VanDerWaalsContact C-N 3.25Å; G398-W400 PolarHBondContact O-N 3.36Å; W400-R404 WeakPolarHBondContact CZ3-O 3.44Å; W400-N407 WeakPolarHBondContact CH2-OD1 3.11Å
401	G	96.5	Very high	96.2	Very high	29 Å²	29	26.3 Å²	26.3	30%	0.299	14%	0.142	S	C	.	.	H	α-helix	trans	-89	-14.1	168.7	0	0	0	0	0	114	S397 G398 F399	S397-G401 PolarHBondContact O-N 3.37Å; G398-G401 PolarHBondContact O-N 3.47Å; F399-G401 PolarHBondContact O-N 3.45Å
402	V	96.9	Very high	96.5	Very high	53 Å²	53	20.2 Å²	20.2	32%	0.321	12%	0.115	S	C	.	.	H	α-helix	trans	-85.6	-50.7	177.7	176	0	0	0	0	110.1	W371 G398 F399 F406 P472	W371-V402 HydrophobicContact CH2-CG2 4.3Å; G398-V402 PolarHBondContact O-N 2.96Å; F399-V402 WeakPolarHBondContact O-CB 3.19Å; F399-V402 PolarHBondContact O-N 2.86Å; V402-F406 HydrophobicContact CB-CD2 4.3Å; V402-F406 HydrophobicContact CG1-CD2 3.78Å; V402-F406 HydrophobicContact CG1-CE2 3.65Å; V402-F406 HydrophobicContact CG1-CZ 4.32Å; V402-P472 HydrophobicContact CG1-CG 3.56Å
403	A	97.4	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.			trans	-149.6	153.3	171.7	0	0	0	0	0	110	F399 H405 F406 Y468 L470	F399-A403 PolarHBondContact O-N 3.18Å; F399-A403 VanDerWaalsContact O-O 3.13Å; A403-H405 PolarHBondContact O-N 3.19Å; A403-F406 HydrophobicContact CB-CB 4.2Å; A403-F406 HydrophobicContact CB-CD2 3.86Å; A403-F406 PolarHBondContact O-N 2.84Å; A403-Y468 WeakPolarHBondContact CA-O 3.16Å; A403-L470 VanDerWaalsContact CB-O 3.24Å; A403-L470 WeakPolarHBondContact CB-O 3.31Å
404	R	96.9	Very high	97	Very high	12 Å²	12	18.4 Å²	18.4	5%	0.045	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.7	-174.6	-63.1	-171.8	-65.1	-92.5	0.7	113.3	W400 E448 Y462 V466 P467 Y468 R469	W400-R404 WeakPolarHBondContact CZ3-O 3.44Å; R404-E448 IonicContact CZ-OE1 2.76Å; R404-E448 IonicContact NE-OE1 3.98Å; R404-E448 PolarHBondContact NE-OE1 3.29Å; R404-E448 IonicContact NH2-OE1 2.97Å; R404-E448 PolarHBondContact NH2-OE1 3.37Å; R404-E448 IonicContact NH2-OE2 3.11Å; R404-Y462 HydrophobicContact CB-CE1 4.12Å; R404-Y462 HydrophobicContact CG-CD1 4.26Å; R404-Y462 HydrophobicContact CG-CE1 3.54Å; R404-V466 WeakPolarHBondContact CD-O 3.22Å; R404-V466 HydrophobicContact CG-CB 4.04Å; R404-V466 HydrophobicContact CG-CG1 3.81Å; R404-V466 WeakPolarHBondContact CG-O 3.4Å; R404-V466 PolarHBondContact NH1-O 3.39Å; R404-P467 PolarHBondContact NH1-O 3.48Å; R404-Y468 PolarHBondContact N-O 2.95Å; R404-R469 PolarHBondContact N-O 3.48Å
405	H	96.3	Very high	97.1	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.019	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	42.2	178.8	-61	-81.3	0	0	0	112.4	A403 N407 Y408 C444 D447 R469 L470	A403-H405 PolarHBondContact O-N 3.19Å; H405-N407 WeakPolarHBondContact CA-OD1 3.33Å; H405-N407 PolarHBondContact O-N 3.3Å; H405-N407 VanDerWaalsContact O-N 3.08Å; H405-N407 PolarHBondContact O-OD1 2.71Å; H405-Y408 HydrophobicContact CB-CD2 3.53Å; H405-Y408 HydrophobicContact CB-CE2 3.89Å; H405-Y408 HydrophobicContact CB-CG 4.12Å; H405-Y408 AromaticContact CG-CE2 3.87Å; H405-Y408 AromaticContact ND1-CE2 3.6Å; H405-Y408 WeakPolarHBondContact O-CB 3.39Å; H405-Y408 PolarHBondContact O-N 2.85Å; H405-C444 PolarHBondContact CD2-SG 2.92Å; H405-D447 IonicContact CE1-OD2 3.35Å; H405-D447 PolarHBondContact CE1-OD2 3.03Å; H405-D447 VanDerWaalsContact CE1-OD2 3.29Å; H405-R469 WeakPolarHBondContact CA-O 3.06Å; H405-R469 WeakPolarHBondContact CB-O 3.49Å; H405-R469 PolarHBondContact N-O 2.96Å; H405-L470 HydrophobicContact CB-CD2 3.87Å
406	F	96.9	Very high	97.2	Very high	29 Å²	29	20.1 Å²	20.1	13%	0.127	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-20.6	-177.9	-155	-96.2	0	0	0	113.8	I350 F399 V402 A403 Y408 V409 G410 P472	I350-F406 HydrophobicContact CD1-CE1 4.24Å; I350-F406 HydrophobicContact CG1-CE1 4.47Å; I350-F406 HydrophobicContact CG2-CD1 3.49Å; I350-F406 VanDerWaalsContact CG2-CD1 3.49Å; I350-F406 HydrophobicContact CG2-CE1 3.56Å; F399-F406 HydrophobicContact CB-CB 4.22Å; F399-F406 HydrophobicContact CB-CD1 4.21Å; F399-F406 AromaticContact CD1-CD1 3.21Å; F399-F406 HydrophobicContact CD1-CD1 3.21Å; F399-F406 AromaticContact CD1-CE1 3.47Å; F399-F406 HydrophobicContact CD1-CE1 3.47Å; F399-F406 VanDerWaalsContact CD1-CE1 3.47Å; F399-F406 HydrophobicContact CD1-CG 4.13Å; F399-F406 AromaticContact CE1-CD1 3.78Å; F399-F406 HydrophobicContact CE1-CD1 3.78Å; F399-F406 AromaticContact CE1-CE1 3.56Å; F399-F406 HydrophobicContact CE1-CE1 3.56Å; F399-F406 AromaticContact CG-CD1 4Å; F399-F406 HydrophobicContact CG-CD1 4Å; V402-F406 HydrophobicContact CB-CD2 4.3Å; V402-F406 HydrophobicContact CG1-CD2 3.78Å; V402-F406 HydrophobicContact CG1-CE2 3.65Å; V402-F406 HydrophobicContact CG1-CZ 4.32Å; A403-F406 HydrophobicContact CB-CB 4.2Å; A403-F406 HydrophobicContact CB-CD2 3.86Å; A403-F406 PolarHBondContact O-N 2.84Å; F406-Y408 PolarHBondContact O-N 3.12Å; F406-V409 HydrophobicContact CD2-CG2 4.15Å; F406-V409 HydrophobicContact CE2-CG2 4.42Å; F406-V409 WeakPolarHBondContact O-CB 3.41Å; F406-V409 PolarHBondContact O-N 3.29Å; F406-V409 VanDerWaalsContact O-N 3.15Å; F406-G410 PolarHBondContact O-N 3.22Å; F406-P472 HydrophobicContact CE2-CG 4.39Å
407	N	96.2	Very high	97.3	Very high	5 Å²	5	19 Å²	19	3%	0.027	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-35.2	169.2	62.2	-58.8	0	0	0	112.4	F351 A354 W400 H405 V409 G410 D411	F351-N407 WeakPolarHBondContact CD2-O 3.36Å; A354-N407 HydrophobicContact CB-CB 3.76Å; W400-N407 WeakPolarHBondContact CH2-OD1 3.11Å; H405-N407 WeakPolarHBondContact CA-OD1 3.33Å; H405-N407 PolarHBondContact O-N 3.3Å; H405-N407 VanDerWaalsContact O-N 3.08Å; H405-N407 PolarHBondContact O-OD1 2.71Å; N407-V409 VanDerWaalsContact C-N 3.32Å; N407-G410 PolarHBondContact O-N 2.06Å; N407-D411 PolarHBondContact O-N 3.29Å
408	Y	96.9	Very high	97.4	Very high	24 Å²	24	18.4 Å²	18.4	9%	0.094	10%	0.103	C	C	.	.	H	α-helix	trans	-71	-27.3	176.5	-63.3	-16.4	0	0	0	112.3	H405 F406 D411 L412 L440 C444 L470	H405-Y408 HydrophobicContact CB-CD2 3.53Å; H405-Y408 HydrophobicContact CB-CE2 3.89Å; H405-Y408 HydrophobicContact CB-CG 4.12Å; H405-Y408 AromaticContact CG-CE2 3.87Å; H405-Y408 AromaticContact ND1-CE2 3.6Å; H405-Y408 WeakPolarHBondContact O-CB 3.39Å; H405-Y408 PolarHBondContact O-N 2.85Å; F406-Y408 PolarHBondContact O-N 3.12Å; Y408-D411 WeakPolarHBondContact O-CB 3.4Å; Y408-D411 PolarHBondContact O-N 3Å; Y408-L412 WeakPolarHBondContact O-CG 3.47Å; Y408-L412 PolarHBondContact O-N 3.38Å; Y408-L440 HydrophobicContact CD1-CD2 3.79Å; Y408-L440 HydrophobicContact CD2-CB 4.34Å; Y408-L440 HydrophobicContact CD2-CD2 4.33Å; Y408-L440 HydrophobicContact CE1-CD2 4.13Å; Y408-L440 HydrophobicContact CG-CB 4.37Å; Y408-L440 HydrophobicContact CG-CD2 3.93Å; Y408-C444 HydrophobicContact CD2-CB 4.38Å; Y408-C444 HydrophobicContact CE2-CB 4.23Å; Y408-L470 HydrophobicContact CD2-CD2 4.01Å; Y408-L470 HydrophobicContact CG-CD2 4.3Å
409	V	97.3	Very high	97.5	Very high	13 Å²	13	18 Å²	18	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-44.6	171.5	179	0	0	0	0	110.4	F406 N407 D411 L412 M413 L470 L471	F406-V409 HydrophobicContact CD2-CG2 4.15Å; F406-V409 HydrophobicContact CE2-CG2 4.42Å; F406-V409 WeakPolarHBondContact O-CB 3.41Å; F406-V409 PolarHBondContact O-N 3.29Å; F406-V409 VanDerWaalsContact O-N 3.15Å; N407-V409 VanDerWaalsContact C-N 3.32Å; V409-D411 VanDerWaalsContact C-N 3.27Å; V409-D411 PolarHBondContact O-N 2.89Å; V409-L412 PolarHBondContact O-N 3.08Å; V409-M413 HydrophobicContact CG1-SD 4.29Å; V409-M413 WeakPolarHBondContact O-CG 3.49Å; V409-M413 PolarHBondContact O-N 3.09Å; V409-L470 HydrophobicContact CG2-CB 4.2Å; V409-L470 WeakPolarHBondContact CG2-O 3.37Å; V409-L471 HydrophobicContact CG1-CD2 3.79Å; V409-L471 HydrophobicContact CG2-CD2 3.94Å; V409-L471 HydrophobicContact CG2-CG 4.48Å
410	G	97.4	Very high	97.5	Very high	1 Å²	1	20 Å²	20	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-58.7	-40.2	174.7	0	0	0	0	0	112.7	G347 F406 N407 M413 G414	G347-G410 CarbonylContact C-O 3.4Å; G347-G410 VanDerWaalsContact CA-O 3.29Å; G347-G410 WeakPolarHBondContact CA-O 3.34Å; G347-G410 CarbonylContact O-C 3.57Å; G347-G410 WeakPolarHBondContact O-CA 3.37Å; F406-G410 PolarHBondContact O-N 3.22Å; N407-G410 PolarHBondContact O-N 2.06Å; G410-M413 PolarHBondContact O-N 3.46Å; G410-G414 PolarHBondContact O-N 2.89Å; G410-G414 VanDerWaalsContact O-N 3.09Å
411	D	97	Very high	97.6	Very high	12 Å²	12	19 Å²	19	6%	0.064	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-41.4	176.5	-159.1	13.1	0	0	0	112.3	Y280 F351 N407 Y408 V409 G414 S415 M436 L440	Y280-D411 WeakPolarHBondContact CE2-OD1 3.35Å; F351-D411 HydrophobicContact CD2-CB 4.09Å; N407-D411 PolarHBondContact O-N 3.29Å; Y408-D411 WeakPolarHBondContact O-CB 3.4Å; Y408-D411 PolarHBondContact O-N 3Å; V409-D411 VanDerWaalsContact C-N 3.27Å; V409-D411 PolarHBondContact O-N 2.89Å; D411-G414 PolarHBondContact O-N 3.4Å; D411-S415 WeakPolarHBondContact O-CB 3.45Å; D411-S415 PolarHBondContact O-N 2.69Å; D411-S415 PolarHBondContact O-OG 3.3Å; D411-M436 WeakPolarHBondContact OD2-CE 3.29Å; D411-L440 HydrophobicContact CB-CD1 4.01Å
412	L	98.2	Very high	97.6	Very high	33 Å²	33	17.7 Å²	17.7	17%	0.173	9%	0.092	C	C	.	.	H	α-helix	trans	-66.3	-36.1	173.8	-69.5	172.6	0	0	0	112.9	Y408 V409 S415 L416 I433 M436 A437 L440	Y408-L412 WeakPolarHBondContact O-CG 3.47Å; Y408-L412 PolarHBondContact O-N 3.38Å; V409-L412 PolarHBondContact O-N 3.08Å; L412-S415 PolarHBondContact O-N 3.38Å; L412-L416 WeakPolarHBondContact O-CB 3.31Å; L412-L416 PolarHBondContact O-N 3.41Å; L412-I433 HydrophobicContact CB-CD1 4.23Å; L412-I433 HydrophobicContact CD2-CD1 3.78Å; L412-I433 VanDerWaalsContact O-CD1 3.3Å; L412-I433 WeakPolarHBondContact O-CD1 3.39Å; L412-M436 HydrophobicContact CD2-CB 4.1Å; L412-A437 HydrophobicContact CD2-CB 4.05Å; L412-L440 HydrophobicContact CD2-CD1 3.86Å; L412-L440 HydrophobicContact CG-CD1 3.82Å
413	M	98.4	Very high	97.6	Very high	43 Å²	43	16.2 Å²	16.2	21%	0.212	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-45.2	174.7	-71	173.9	70.4	0	0	111.3	L343 V346 I350 V409 G410 L416 A417	L343-M413 HydrophobicContact CD1-CB 4.16Å; L343-M413 HydrophobicContact CD1-CE 3.7Å; L343-M413 HydrophobicContact CD1-CG 4.31Å; V346-M413 HydrophobicContact CB-CE 4.2Å; V346-M413 HydrophobicContact CG1-CE 3.71Å; I350-M413 HydrophobicContact CD1-CE 4.34Å; I350-M413 HydrophobicContact CD1-SD 3.78Å; V409-M413 HydrophobicContact CG1-SD 4.29Å; V409-M413 WeakPolarHBondContact O-CG 3.49Å; V409-M413 PolarHBondContact O-N 3.09Å; G410-M413 PolarHBondContact O-N 3.46Å; M413-L416 PolarHBondContact O-N 2.95Å; M413-A417 PolarHBondContact O-N 2.79Å
414	G	97.9	Very high	97.5	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-46.4	173.4	0	0	0	0	0	112.1	G410 D411 L416 A417 Y418	G410-G414 PolarHBondContact O-N 2.89Å; G410-G414 VanDerWaalsContact O-N 3.09Å; D411-G414 PolarHBondContact O-N 3.4Å; G414-L416 VanDerWaalsContact C-N 3.3Å; G414-L416 PolarHBondContact O-N 3.47Å; G414-A417 WeakPolarHBondContact O-CB 3.24Å; G414-A417 PolarHBondContact O-N 2.94Å; G414-A417 VanDerWaalsContact O-N 3.1Å; G414-Y418 WeakPolarHBondContact O-CD1 3.21Å; G414-Y418 VanDerWaalsContact O-CE1 3.28Å; G414-Y418 WeakPolarHBondContact O-CE1 3.2Å; G414-Y418 PolarHBondContact O-N 3.08Å
415	S	98.3	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.5	-42	176.3	-61.4	0	0	0	0	112.5	D411 L412 Y418 C419 Y432	D411-S415 WeakPolarHBondContact O-CB 3.45Å; D411-S415 PolarHBondContact O-N 2.69Å; D411-S415 PolarHBondContact O-OG 3.3Å; L412-S415 PolarHBondContact O-N 3.38Å; S415-Y418 PolarHBondContact O-N 3.04Å; S415-C419 PolarHBondContact O-N 3.12Å; S415-C419 PolarHBondContact O-SG 3.45Å; S415-Y432 VanDerWaalsContact OG-CE1 3.29Å; S415-Y432 WeakPolarHBondContact OG-CE1 3.33Å
416	L	98.6	Very high	97.2	Very high	63 Å²	63	24.1 Å²	24.1	33%	0.33	16%	0.162	S	C	.	.	H	α-helix	trans	-67.5	-40.4	176.4	178.7	61.6	0	0	0	111.3	L343 L412 M413 G414 Y418 C419 L420 I433	L343-L416 HydrophobicContact CD2-CB 4.43Å; L343-L416 HydrophobicContact CD2-CD2 4.14Å; L343-L416 HydrophobicContact CD2-CG 4.11Å; L412-L416 WeakPolarHBondContact O-CB 3.31Å; L412-L416 PolarHBondContact O-N 3.41Å; M413-L416 PolarHBondContact O-N 2.95Å; G414-L416 VanDerWaalsContact C-N 3.3Å; G414-L416 PolarHBondContact O-N 3.47Å; L416-Y418 VanDerWaalsContact C-N 3.31Å; L416-Y418 PolarHBondContact O-N 3.29Å; L416-C419 PolarHBondContact O-N 2.87Å; L416-C419 VanDerWaalsContact O-N 3.13Å; L416-L420 HydrophobicContact CD1-CD1 4.12Å; L416-L420 HydrophobicContact CD1-CD2 4.42Å; L416-L420 HydrophobicContact CD1-CG 3.94Å; L416-L420 HydrophobicContact CD2-CD1 4.29Å; L416-L420 HydrophobicContact CG-CD1 3.79Å; L416-L420 HydrophobicContact CG-CG 4.08Å; L416-L420 WeakPolarHBondContact O-CG 3.45Å; L416-L420 PolarHBondContact O-N 3.25Å; L416-I433 HydrophobicContact CB-CD1 4.13Å; L416-I433 HydrophobicContact CB-CG1 4.24Å; L416-I433 HydrophobicContact CD1-CG1 4.46Å
417	A	98.6	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-41.5	176.7	0	0	0	0	0	112	L276 V340 L343 M413 G414 C419 L420 A421	L276-A417 HydrophobicContact CD1-CB 4.09Å; V340-A417 HydrophobicContact CG1-CB 4.28Å; V340-A417 VanDerWaalsContact CG1-O 3.29Å; V340-A417 WeakPolarHBondContact CG1-O 3.36Å; L343-A417 HydrophobicContact CB-CB 4.31Å; L343-A417 HydrophobicContact CD2-CB 4.09Å; L343-A417 HydrophobicContact CG-CB 4.13Å; M413-A417 PolarHBondContact O-N 2.79Å; G414-A417 WeakPolarHBondContact O-CB 3.24Å; G414-A417 PolarHBondContact O-N 2.94Å; G414-A417 VanDerWaalsContact O-N 3.1Å; A417-C419 VanDerWaalsContact C-N 3.28Å; A417-C419 PolarHBondContact O-N 3.3Å; A417-L420 PolarHBondContact O-N 2.75Å; A417-A421 PolarHBondContact O-N 3.45Å; A417-A421 VanDerWaalsContact O-N 3.11Å
418	Y	98.3	Very high	97.3	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-43.8	175.5	-51	-18.9	0	0	0	111.1	L276 Q277 G414 S415 L416 A421 Y432	L276-Y418 HydrophobicContact CB-CD1 3.91Å; L276-Y418 HydrophobicContact CB-CE1 3.61Å; L276-Y418 HydrophobicContact CD1-CD1 4.38Å; Q277-Y418 HydrophobicContact CG-CD1 4.01Å; Q277-Y418 HydrophobicContact CG-CD2 3.9Å; Q277-Y418 HydrophobicContact CG-CE1 3.97Å; Q277-Y418 HydrophobicContact CG-CE2 3.83Å; Q277-Y418 HydrophobicContact CG-CG 4Å; G414-Y418 WeakPolarHBondContact O-CD1 3.21Å; G414-Y418 VanDerWaalsContact O-CE1 3.28Å; G414-Y418 WeakPolarHBondContact O-CE1 3.2Å; G414-Y418 PolarHBondContact O-N 3.08Å; S415-Y418 PolarHBondContact O-N 3.04Å; L416-Y418 VanDerWaalsContact C-N 3.31Å; L416-Y418 PolarHBondContact O-N 3.29Å; Y418-A421 WeakPolarHBondContact O-CB 3.23Å; Y418-Y432 AromaticContact CD2-CD1 3.98Å; Y418-Y432 HydrophobicContact CD2-CD1 3.98Å; Y418-Y432 AromaticContact CD2-CE1 3.5Å; Y418-Y432 HydrophobicContact CD2-CE1 3.5Å; Y418-Y432 AromaticContact CE2-CE1 3.75Å; Y418-Y432 HydrophobicContact CE2-CE1 3.75Å
419	C	98.6	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.5	-43.5	-177.6	-54.7	0	0	0	0	111.7	S415 L416 A417 A421 C422 P429 Y430 I433	S415-C419 PolarHBondContact O-N 3.12Å; S415-C419 PolarHBondContact O-SG 3.45Å; L416-C419 PolarHBondContact O-N 2.87Å; L416-C419 VanDerWaalsContact O-N 3.13Å; A417-C419 VanDerWaalsContact C-N 3.28Å; A417-C419 PolarHBondContact O-N 3.3Å; C419-A421 PolarHBondContact O-N 3.05Å; C419-C422 WeakPolarHBondContact O-CB 3.24Å; C419-C422 PolarHBondContact O-N 3.32Å; C419-P429 PolarHBondContact SG-O 3.27Å; C419-Y430 HydrophobicContact CB-CD1 3.67Å; C419-Y430 HydrophobicContact CB-CE1 3.9Å; C419-Y430 HydrophobicContact CB-CG 4.05Å; C419-I433 HydrophobicContact CB-CG2 4.33Å
420	L	98.4	Very high	97.4	Very high	64 Å²	64	28.4 Å²	28.4	34%	0.335	18%	0.183	S	C	.	.	H	α-helix	trans	-63.9	-27	178.8	-72.1	175.9	0	0	0	112.8	V340 L343 L416 A417 C422 G423 Y430	V340-L420 HydrophobicContact CG2-CB 3.89Å; L343-L420 HydrophobicContact CD2-CD1 3.76Å; L416-L420 HydrophobicContact CD1-CD1 4.12Å; L416-L420 HydrophobicContact CD1-CD2 4.42Å; L416-L420 HydrophobicContact CD1-CG 3.94Å; L416-L420 HydrophobicContact CD2-CD1 4.29Å; L416-L420 HydrophobicContact CG-CD1 3.79Å; L416-L420 HydrophobicContact CG-CG 4.08Å; L416-L420 WeakPolarHBondContact O-CG 3.45Å; L416-L420 PolarHBondContact O-N 3.25Å; A417-L420 PolarHBondContact O-N 2.75Å; L420-C422 PolarHBondContact O-N 2.96Å; L420-G423 PolarHBondContact O-N 3.46Å; L420-G423 VanDerWaalsContact O-N 3.12Å; L420-Y430 HydrophobicContact CD2-CE1 4.18Å
421	A	98.1	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.1	172.7	0	0	0	0	0	112.3	A269 V273 V340 A417 Y418 C419 G423	A269-A421 WeakPolarHBondContact CB-O 3.35Å; V273-A421 HydrophobicContact CG2-CB 3.55Å; V340-A421 HydrophobicContact CG1-CB 4.1Å; A417-A421 PolarHBondContact O-N 3.45Å; A417-A421 VanDerWaalsContact O-N 3.11Å; Y418-A421 WeakPolarHBondContact O-CB 3.23Å; C419-A421 PolarHBondContact O-N 3.05Å; A421-G423 VanDerWaalsContact C-N 3.32Å; A421-G423 PolarHBondContact O-N 3.39Å
422	C	98.1	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.9	179.5	-59.5	0	0	0	0	114.4	Q321 Y324 C419 L420 P429	Q321-C422 VanDerWaalsContact CB-SG 3.54Å; Y324-C422 HydrophobicContact CD1-CB 3.68Å; Y324-C422 HydrophobicContact CE1-CB 3.77Å; Y324-C422 WeakPolarHBondContact CE1-O 3.25Å; C419-C422 WeakPolarHBondContact O-CB 3.24Å; C419-C422 PolarHBondContact O-N 3.32Å; L420-C422 PolarHBondContact O-N 2.96Å; C422-P429 HydrophobicContact CB-CB 3.75Å; C422-P429 HydrophobicContact CB-CG 3.77Å
423	G	95.9	Very high	97.4	Very high	23 Å²	23	29.4 Å²	29.4	24%	0.237	19%	0.186	C	C	.	.			trans	67.3	-174.2	-172.9	0	0	0	0	0	113.2	L420 A421 Y430	L420-G423 PolarHBondContact O-N 3.46Å; L420-G423 VanDerWaalsContact O-N 3.12Å; A421-G423 VanDerWaalsContact C-N 3.32Å; A421-G423 PolarHBondContact O-N 3.39Å; G423-Y430 VanDerWaalsContact O-CE2 3.25Å; G423-Y430 WeakPolarHBondContact O-CE2 3.42Å; G423-Y430 PolarHBondContact O-OH 3Å; G423-Y430 VanDerWaalsContact O-OH 3.07Å
424	G	94.8	Very high	97.4	Very high	75 Å²	75	31.2 Å²	31.2	77%	0.773	20%	0.196	S	C	*	.	S	Bend	trans	-99.8	11.7	-171.2	0	0	0	0	0	116.4
425	G	92.5	Very high	97.3	Very high	60 Å²	60	33 Å²	33	62%	0.619	20%	0.201	S	C	*	.	S	Bend	trans	-74.7	-25.8	-170.5	0	0	0	0	0	115.1
426	H	95.8	Very high	97.3	Very high	47 Å²	47	33.2 Å²	33.2	22%	0.218	20%	0.202	C	C	.	.			trans	-140.2	146.7	-174.3	-69.8	84.6	0	0	0	111.5	Y324 H328 P429 Y430	Y324-H426 HydrophobicContact CD2-CB 4.38Å; Y324-H426 HydrophobicContact CE2-CB 3.62Å; Y324-H426 AromaticContact CE2-CG 3.53Å; Y324-H426 AromaticContact CE2-ND1 3.32Å; Y324-H426 VanDerWaalsContact CE2-ND1 3.32Å; Y324-H426 WeakPolarHBondContact CE2-ND1 3.36Å; Y324-H426 AromaticContact CZ-ND1 3.61Å; Y324-H426 PolarHBondContact OH-ND1 3.19Å; H328-H426 AromaticContact CE1-CE1 3.52Å; H328-H426 AromaticContact NE2-CE1 3.69Å; H426-P429 WeakPolarHBondContact O-CD 3.32Å; H426-Y430 WeakPolarHBondContact O-CD2 3.5Å
427	L	97	Very high	97.2	Very high	111 Å²	111	31.9 Å²	31.9	58%	0.581	20%	0.2	S	C	*	.	S	Bend	trans	-76.7	-24.2	176	-175.6	63.3	0	0	0	112.8	L68 Y430 F431 I434	L68-L427 HydrophobicContact CD1-CB 4.29Å; L68-L427 HydrophobicContact CD1-CD2 4.47Å; L68-L427 HydrophobicContact CD1-CG 4.36Å; L427-Y430 WeakPolarHBondContact O-CB 3.31Å; L427-Y430 PolarHBondContact O-N 3.45Å; L427-F431 PolarHBondContact O-N 2.87Å; L427-I434 HydrophobicContact CD1-CD1 4.28Å
428	L	97.6	Very high	97.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-52.6	-49.2	-173.7	179.8	144.2	0	0	0	113.9	F57 C61 C66 L68 L320 Y430 F431	F57-L428 HydrophobicContact CD2-CD1 4.11Å; F57-L428 HydrophobicContact CD2-CG 4.05Å; F57-L428 HydrophobicContact CE2-CG 4.45Å; C61-L428 WeakPolarHBondContact SG-CD1 3.48Å; C66-L428 HydrophobicContact CB-CD1 4.01Å; C66-L428 HydrophobicContact CB-CD2 4.31Å; L68-L428 HydrophobicContact CD1-CB 4.19Å; L68-L428 HydrophobicContact CD2-CB 4.33Å; L68-L428 HydrophobicContact CD2-CD1 3.9Å; L68-L428 HydrophobicContact CD2-CG 4.43Å; L68-L428 HydrophobicContact CG-CB 3.95Å; L68-L428 HydrophobicContact CG-CD1 4.37Å; L320-L428 HydrophobicContact CB-CD2 3.95Å; L320-L428 HydrophobicContact CD2-CD2 4.01Å; L320-L428 HydrophobicContact CD2-CG 4.4Å; L320-L428 HydrophobicContact CG-CD2 4.38Å; L428-Y430 VanDerWaalsContact C-N 3.25Å; L428-Y430 PolarHBondContact O-N 2.93Å; L428-F431 VanDerWaalsContact O-CB 3.31Å; L428-F431 WeakPolarHBondContact O-CB 3.27Å; L428-F431 PolarHBondContact O-N 3.24Å
429	P	97.8	Very high	96.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.2	-32.3	178.1	-24.4	36.3	0	0	0	113.4	Q321 Y324 C419 C422 H426 F431	Q321-P429 HydrophobicContact CG-CB 4.24Å; Y324-P429 HydrophobicContact CD1-CG 3.71Å; Y324-P429 HydrophobicContact CD2-CG 3.88Å; Y324-P429 HydrophobicContact CE1-CG 4.2Å; Y324-P429 HydrophobicContact CE2-CG 4.36Å; Y324-P429 HydrophobicContact CG-CG 3.53Å; C419-P429 PolarHBondContact SG-O 3.27Å; C422-P429 HydrophobicContact CB-CB 3.75Å; C422-P429 HydrophobicContact CB-CG 3.77Å; H426-P429 WeakPolarHBondContact O-CD 3.32Å; P429-F431 VanDerWaalsContact C-N 3.27Å; P429-F431 PolarHBondContact O-N 3.47Å
430	Y	98.3	Very high	96.7	Very high	49 Å²	49	38.5 Å²	38.5	19%	0.192	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-77.5	-9.9	-178.2	-68.8	-94.9	0	0	0	113.6	C419 L420 G423 H426 L427 L428 Y432 I433 I434	C419-Y430 HydrophobicContact CB-CD1 3.67Å; C419-Y430 HydrophobicContact CB-CE1 3.9Å; C419-Y430 HydrophobicContact CB-CG 4.05Å; L420-Y430 HydrophobicContact CD2-CE1 4.18Å; G423-Y430 VanDerWaalsContact O-CE2 3.25Å; G423-Y430 WeakPolarHBondContact O-CE2 3.42Å; G423-Y430 PolarHBondContact O-OH 3Å; G423-Y430 VanDerWaalsContact O-OH 3.07Å; H426-Y430 WeakPolarHBondContact O-CD2 3.5Å; L427-Y430 WeakPolarHBondContact O-CB 3.31Å; L427-Y430 PolarHBondContact O-N 3.45Å; L428-Y430 VanDerWaalsContact C-N 3.25Å; L428-Y430 PolarHBondContact O-N 2.93Å; Y430-Y432 PolarHBondContact O-N 3.4Å; Y430-I433 HydrophobicContact CD1-CG2 4.18Å; Y430-I433 WeakPolarHBondContact O-CG2 3.5Å; Y430-I433 PolarHBondContact O-N 2.95Å; Y430-I434 WeakPolarHBondContact O-CG1 3.2Å; Y430-I434 PolarHBondContact O-N 3.19Å
431	F	97.6	Very high	96.5	Very high	37 Å²	37	37.7 Å²	37.7	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-53.9	-35.4	170.2	174.9	-95.9	0	0	0	111.7	I53 F57 W313 L317 L320 L427 L428 P429 I434 Y435	I53-F431 HydrophobicContact CG2-CZ 4.4Å; F57-F431 HydrophobicContact CD2-CG 4.47Å; F57-F431 HydrophobicContact CE1-CD2 4.46Å; F57-F431 HydrophobicContact CE2-CB 3.52Å; F57-F431 HydrophobicContact CE2-CD1 4.04Å; F57-F431 AromaticContact CE2-CD2 3.8Å; F57-F431 HydrophobicContact CE2-CD2 3.8Å; F57-F431 AromaticContact CE2-CG 3.49Å; F57-F431 HydrophobicContact CE2-CG 3.49Å; F57-F431 VanDerWaalsContact CE2-CG 3.49Å; F57-F431 HydrophobicContact CZ-CB 4.05Å; F57-F431 HydrophobicContact CZ-CD1 4.41Å; F57-F431 AromaticContact CZ-CD2 3.47Å; F57-F431 HydrophobicContact CZ-CD2 3.47Å; F57-F431 VanDerWaalsContact CZ-CD2 3.47Å; F57-F431 AromaticContact CZ-CE2 4Å; F57-F431 HydrophobicContact CZ-CE2 4Å; F57-F431 AromaticContact CZ-CG 3.7Å; F57-F431 HydrophobicContact CZ-CG 3.7Å; W313-F431 HydrophobicContact CH2-CE1 4.37Å; W313-F431 AromaticContact CH2-CZ 3.83Å; W313-F431 HydrophobicContact CH2-CZ 3.83Å; W313-F431 AromaticContact CZ2-CE1 4Å; W313-F431 HydrophobicContact CZ2-CE1 4Å; W313-F431 AromaticContact CZ2-CZ 3.77Å; W313-F431 HydrophobicContact CZ2-CZ 3.77Å; L317-F431 HydrophobicContact CB-CE1 4.24Å; L317-F431 HydrophobicContact CD1-CE1 3.6Å; L317-F431 HydrophobicContact CD1-CZ 4.13Å; L317-F431 HydrophobicContact CG-CE1 4.38Å; L320-F431 HydrophobicContact CD1-CB 4.42Å; L320-F431 HydrophobicContact CD1-CD1 4.03Å; L427-F431 PolarHBondContact O-N 2.87Å; L428-F431 VanDerWaalsContact O-CB 3.31Å; L428-F431 WeakPolarHBondContact O-CB 3.27Å; L428-F431 PolarHBondContact O-N 3.24Å; P429-F431 VanDerWaalsContact C-N 3.27Å; P429-F431 PolarHBondContact O-N 3.47Å; F431-I434 PolarHBondContact O-N 3.41Å; F431-Y435 HydrophobicContact CE1-CG 4.49Å; F431-Y435 VanDerWaalsContact O-CB 3.26Å; F431-Y435 WeakPolarHBondContact O-CB 3.41Å; F431-Y435 PolarHBondContact O-N 3.49Å
432	Y	97.4	Very high	96.2	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-50	179.8	-175.6	-102.2	0	0	0	113	Y318 S415 Y418 Y430 I434 Y435 M436	Y318-Y432 HydrophobicContact CD1-CD2 4.12Å; Y318-Y432 AromaticContact CD1-CE2 3.67Å; Y318-Y432 HydrophobicContact CD1-CE2 3.67Å; Y318-Y432 AromaticContact CD2-CE2 3.6Å; Y318-Y432 HydrophobicContact CD2-CE2 3.6Å; Y318-Y432 AromaticContact CE1-CE2 3.95Å; Y318-Y432 HydrophobicContact CE1-CE2 3.95Å; Y318-Y432 AromaticContact CE2-CE2 3.88Å; Y318-Y432 HydrophobicContact CE2-CE2 3.88Å; Y318-Y432 HydrophobicContact CG-CD2 4.19Å; Y318-Y432 AromaticContact CG-CE2 3.46Å; Y318-Y432 HydrophobicContact CG-CE2 3.46Å; Y318-Y432 VanDerWaalsContact CG-CE2 3.46Å; S415-Y432 VanDerWaalsContact OG-CE1 3.29Å; S415-Y432 WeakPolarHBondContact OG-CE1 3.33Å; Y418-Y432 AromaticContact CD2-CD1 3.98Å; Y418-Y432 HydrophobicContact CD2-CD1 3.98Å; Y418-Y432 AromaticContact CD2-CE1 3.5Å; Y418-Y432 HydrophobicContact CD2-CE1 3.5Å; Y418-Y432 AromaticContact CE2-CE1 3.75Å; Y418-Y432 HydrophobicContact CE2-CE1 3.75Å; Y430-Y432 PolarHBondContact O-N 3.4Å; Y432-I434 VanDerWaalsContact C-N 3.33Å; Y432-I434 PolarHBondContact O-N 2.97Å; Y432-Y435 PolarHBondContact O-N 3.39Å; Y432-M436 HydrophobicContact CD1-CG 4.19Å; Y432-M436 HydrophobicContact CD2-CG 4.45Å; Y432-M436 HydrophobicContact CE1-CG 3.82Å; Y432-M436 HydrophobicContact CE2-CG 4.07Å; Y432-M436 HydrophobicContact CE2-SD 4.48Å; Y432-M436 WeakPolarHBondContact O-CB 3.32Å; Y432-M436 VanDerWaalsContact O-CG 3.3Å; Y432-M436 WeakPolarHBondContact O-CG 3.29Å; Y432-M436 PolarHBondContact O-N 2.87Å
433	I	98.1	Very high	95.8	Very high	29 Å²	29	45.4 Å²	45.4	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-36.9	178.6	179.8	60.8	0	0	0	111.6	L412 L416 C419 Y430 M436 A437	L412-I433 HydrophobicContact CB-CD1 4.23Å; L412-I433 HydrophobicContact CD2-CD1 3.78Å; L412-I433 VanDerWaalsContact O-CD1 3.3Å; L412-I433 WeakPolarHBondContact O-CD1 3.39Å; L416-I433 HydrophobicContact CB-CD1 4.13Å; L416-I433 HydrophobicContact CB-CG1 4.24Å; L416-I433 HydrophobicContact CD1-CG1 4.46Å; C419-I433 HydrophobicContact CB-CG2 4.33Å; Y430-I433 HydrophobicContact CD1-CG2 4.18Å; Y430-I433 WeakPolarHBondContact O-CG2 3.5Å; Y430-I433 PolarHBondContact O-N 2.95Å; I433-M436 PolarHBondContact O-N 2.95Å; I433-A437 WeakPolarHBondContact O-CB 3.28Å; I433-A437 PolarHBondContact O-N 2.86Å
434	I	98	Very high	95.7	Very high	81 Å²	81	44.3 Å²	44.3	42%	0.415	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-49.7	175.8	-65.5	165.9	0	0	0	110	L427 Y430 F431 Y432 A437 I438	L427-I434 HydrophobicContact CD1-CD1 4.28Å; Y430-I434 WeakPolarHBondContact O-CG1 3.2Å; Y430-I434 PolarHBondContact O-N 3.19Å; F431-I434 PolarHBondContact O-N 3.41Å; Y432-I434 VanDerWaalsContact C-N 3.33Å; Y432-I434 PolarHBondContact O-N 2.97Å; I434-A437 PolarHBondContact O-N 3.42Å; I434-I438 HydrophobicContact CG2-CD1 4.1Å; I434-I438 WeakPolarHBondContact O-CG1 3.24Å; I434-I438 PolarHBondContact O-N 3.31Å; I434-I438 VanDerWaalsContact O-N 3.09Å
435	Y	96.5	Very high	95.5	Very high	43 Å²	43	44.4 Å²	44.4	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-47.5	176.8	167.2	-103.9	0	0	0	111.8	W313 Y318 F431 Y432 A437 I438 L439	W313-Y435 AromaticContact CE2-CE2 3.66Å; W313-Y435 AromaticContact CE2-CZ 3.88Å; W313-Y435 AromaticContact CZ2-CD2 3.52Å; W313-Y435 HydrophobicContact CZ2-CD2 3.52Å; W313-Y435 AromaticContact CZ2-CE2 3.53Å; W313-Y435 HydrophobicContact CZ2-CE2 3.53Å; W313-Y435 HydrophobicContact CZ2-CG 4.17Å; W313-Y435 AromaticContact NE1-CD1 3.98Å; W313-Y435 AromaticContact NE1-CD2 3.96Å; W313-Y435 AromaticContact NE1-CE1 3.45Å; W313-Y435 AromaticContact NE1-CE2 3.41Å; W313-Y435 AromaticContact NE1-CZ 3.12Å; W313-Y435 PolarHBondContact NE1-OH 3.31Å; Y318-Y435 HydrophobicContact CE1-CD1 4.26Å; Y318-Y435 AromaticContact CE1-CE1 3.73Å; Y318-Y435 HydrophobicContact CE1-CE1 3.73Å; F431-Y435 HydrophobicContact CE1-CG 4.49Å; F431-Y435 VanDerWaalsContact O-CB 3.26Å; F431-Y435 WeakPolarHBondContact O-CB 3.41Å; F431-Y435 PolarHBondContact O-N 3.49Å; Y432-Y435 PolarHBondContact O-N 3.39Å; Y435-A437 VanDerWaalsContact C-N 3.32Å; Y435-A437 PolarHBondContact O-N 2.92Å; Y435-I438 PolarHBondContact O-N 3.1Å; Y435-L439 HydrophobicContact CE1-CD2 4.01Å; Y435-L439 HydrophobicContact CE2-CB 4.5Å; Y435-L439 WeakPolarHBondContact O-CB 3.12Å; Y435-L439 PolarHBondContact O-N 3.25Å
436	M	97.1	Very high	95.4	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-38.6	178.8	-75.5	-62.8	-69.8	0	0	111.9	D411 L412 Y432 I433 L439 L440	D411-M436 WeakPolarHBondContact OD2-CE 3.29Å; L412-M436 HydrophobicContact CD2-CB 4.1Å; Y432-M436 HydrophobicContact CD1-CG 4.19Å; Y432-M436 HydrophobicContact CD2-CG 4.45Å; Y432-M436 HydrophobicContact CE1-CG 3.82Å; Y432-M436 HydrophobicContact CE2-CG 4.07Å; Y432-M436 HydrophobicContact CE2-SD 4.48Å; Y432-M436 WeakPolarHBondContact O-CB 3.32Å; Y432-M436 VanDerWaalsContact O-CG 3.3Å; Y432-M436 WeakPolarHBondContact O-CG 3.29Å; Y432-M436 PolarHBondContact O-N 2.87Å; I433-M436 PolarHBondContact O-N 2.95Å; M436-L439 PolarHBondContact O-N 3.33Å; M436-L439 HydrophobicContact SD-CD2 4.11Å; M436-L440 HydrophobicContact CE-CD1 4.02Å; M436-L440 HydrophobicContact CE-CG 4.32Å; M436-L440 VanDerWaalsContact O-CB 3.26Å; M436-L440 WeakPolarHBondContact O-CB 3.5Å; M436-L440 VanDerWaalsContact O-CG 3.24Å; M436-L440 WeakPolarHBondContact O-CG 3.43Å; M436-L440 PolarHBondContact O-N 3.33Å
437	A	97.4	Very high	95	Very high	34 Å²	34	44.4 Å²	44.4	28%	0.281	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-45.6	174.1	0	0	0	0	0	112	L412 I433 I434 Y435 T441	L412-A437 HydrophobicContact CD2-CB 4.05Å; I433-A437 WeakPolarHBondContact O-CB 3.28Å; I433-A437 PolarHBondContact O-N 2.86Å; I434-A437 PolarHBondContact O-N 3.42Å; Y435-A437 VanDerWaalsContact C-N 3.32Å; Y435-A437 PolarHBondContact O-N 2.92Å; A437-T441 VanDerWaalsContact O-CB 3.23Å; A437-T441 WeakPolarHBondContact O-CB 3.25Å; A437-T441 PolarHBondContact O-N 3.37Å; A437-T441 PolarHBondContact O-OG1 3.1Å
438	I	95.8	Very high	94.8	Very high	112 Å²	112	39.8 Å²	39.8	57%	0.574	19%	0.194	S	C	*	.	H	α-helix	trans	-63.8	-49.4	176.8	-65.2	165.8	0	0	0	110.4	I434 Y435 L440 T441 H442	I434-I438 HydrophobicContact CG2-CD1 4.1Å; I434-I438 WeakPolarHBondContact O-CG1 3.24Å; I434-I438 PolarHBondContact O-N 3.31Å; I434-I438 VanDerWaalsContact O-N 3.09Å; Y435-I438 PolarHBondContact O-N 3.1Å; I438-L440 PolarHBondContact O-N 2.94Å; I438-T441 PolarHBondContact O-N 2.73Å; I438-H442 WeakPolarHBondContact O-CB 3.27Å; I438-H442 PolarHBondContact O-N 3Å
439	L	93.1	Very high	94.5	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.173	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-50.6	-179.1	178.7	69.5	0	0	0	111.4	Y435 M436 H442 R443	Y435-L439 HydrophobicContact CE1-CD2 4.01Å; Y435-L439 HydrophobicContact CE2-CB 4.5Å; Y435-L439 WeakPolarHBondContact O-CB 3.12Å; Y435-L439 PolarHBondContact O-N 3.25Å; M436-L439 PolarHBondContact O-N 3.33Å; M436-L439 HydrophobicContact SD-CD2 4.11Å; L439-H442 PolarHBondContact O-N 3.13Å; L439-R443 VanDerWaalsContact O-CB 3.26Å; L439-R443 WeakPolarHBondContact O-CB 3.2Å; L439-R443 PolarHBondContact O-N 2.84Å
440	L	94.8	Very high	93.9	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-71.1	-33.7	-176.8	-67.7	175.5	0	0	0	112.1	Y408 D411 L412 M436 I438 R443 C444	Y408-L440 HydrophobicContact CD1-CD2 3.79Å; Y408-L440 HydrophobicContact CD2-CB 4.34Å; Y408-L440 HydrophobicContact CD2-CD2 4.33Å; Y408-L440 HydrophobicContact CE1-CD2 4.13Å; Y408-L440 HydrophobicContact CG-CB 4.37Å; Y408-L440 HydrophobicContact CG-CD2 3.93Å; D411-L440 HydrophobicContact CB-CD1 4.01Å; L412-L440 HydrophobicContact CD2-CD1 3.86Å; L412-L440 HydrophobicContact CG-CD1 3.82Å; M436-L440 HydrophobicContact CE-CD1 4.02Å; M436-L440 HydrophobicContact CE-CG 4.32Å; M436-L440 VanDerWaalsContact O-CB 3.26Å; M436-L440 WeakPolarHBondContact O-CB 3.5Å; M436-L440 VanDerWaalsContact O-CG 3.24Å; M436-L440 WeakPolarHBondContact O-CG 3.43Å; M436-L440 PolarHBondContact O-N 3.33Å; I438-L440 PolarHBondContact O-N 2.94Å; L440-R443 PolarHBondContact O-N 3.12Å; L440-C444 WeakPolarHBondContact O-CB 3.38Å; L440-C444 PolarHBondContact O-N 3.42Å
441	T	94.9	Very high	93.5	Very high	47 Å²	47	48.8 Å²	48.8	29%	0.288	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-48.5	172.5	-58.8	0	0	0	0	110.8	A437 I438 R443 C444 L445 F475	A437-T441 VanDerWaalsContact O-CB 3.23Å; A437-T441 WeakPolarHBondContact O-CB 3.25Å; A437-T441 PolarHBondContact O-N 3.37Å; A437-T441 PolarHBondContact O-OG1 3.1Å; I438-T441 PolarHBondContact O-N 2.73Å; T441-R443 VanDerWaalsContact C-N 3.33Å; T441-R443 PolarHBondContact O-N 3.21Å; T441-C444 WeakPolarHBondContact O-CB 3.24Å; T441-C444 PolarHBondContact O-N 3.23Å; T441-L445 HydrophobicContact CG2-CD1 4.36Å; T441-L445 WeakPolarHBondContact O-CG 3.44Å; T441-L445 PolarHBondContact O-N 3.23Å; T441-F475 HydrophobicContact CG2-CE1 4.15Å; T441-F475 HydrophobicContact CG2-CZ 4.15Å
442	H	91.3	Very high	93.2	Very high	105 Å²	105	49 Å²	49	49%	0.486	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-42.7	176	179	-104.1	0	0	0	111.6	I438 L439 C444 L445 R446	I438-H442 WeakPolarHBondContact O-CB 3.27Å; I438-H442 PolarHBondContact O-N 3Å; L439-H442 PolarHBondContact O-N 3.13Å; H442-C444 PolarHBondContact O-N 3.07Å; H442-L445 PolarHBondContact O-N 2.92Å; H442-R446 WeakPolarHBondContact O-CB 3.49Å; H442-R446 PolarHBondContact O-N 3.47Å
443	R	90.4	Very high	92.8	Very high	57 Å²	57	53.2 Å²	53.2	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-41.2	177	-166.3	175.2	-156.4	161.3	14.4	112.1	I295 D296 L439 L440 T441 D447	I295-R443 HydrophobicContact CD1-CG 4.2Å; D296-R443 IonicContact OD1-CZ 2.75Å; D296-R443 IonicContact OD1-NH2 2.61Å; D296-R443 PolarHBondContact OD1-NH2 3.36Å; D296-R443 IonicContact OD2-CZ 3.05Å; D296-R443 IonicContact OD2-NH2 3.33Å; D296-R443 PolarHBondContact OD2-NH2 3.4Å; L439-R443 VanDerWaalsContact O-CB 3.26Å; L439-R443 WeakPolarHBondContact O-CB 3.2Å; L439-R443 PolarHBondContact O-N 2.84Å; L440-R443 PolarHBondContact O-N 3.12Å; T441-R443 VanDerWaalsContact C-N 3.33Å; T441-R443 PolarHBondContact O-N 3.21Å; R443-D447 WeakPolarHBondContact O-CB 3.49Å; R443-D447 PolarHBondContact O-N 2.9Å
444	C	92.7	Very high	92.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-56.2	173.7	176.1	0	0	0	0	110.4	H405 Y408 L440 T441 H442 R446 D447 E448	H405-C444 PolarHBondContact CD2-SG 2.92Å; Y408-C444 HydrophobicContact CD2-CB 4.38Å; Y408-C444 HydrophobicContact CE2-CB 4.23Å; L440-C444 WeakPolarHBondContact O-CB 3.38Å; L440-C444 PolarHBondContact O-N 3.42Å; T441-C444 WeakPolarHBondContact O-CB 3.24Å; T441-C444 PolarHBondContact O-N 3.23Å; H442-C444 PolarHBondContact O-N 3.07Å; C444-R446 VanDerWaalsContact C-N 3.29Å; C444-R446 PolarHBondContact O-N 3.12Å; C444-D447 PolarHBondContact O-N 3.4Å; C444-D447 VanDerWaalsContact O-N 3.14Å; C444-E448 WeakPolarHBondContact O-CG 3.34Å; C444-E448 PolarHBondContact O-N 2.97Å
445	L	92.3	Very high	92	Very high	77 Å²	77	52.8 Å²	52.8	40%	0.403	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-40.1	-178.1	-66.9	172.9	0	0	0	112.4	T441 H442 E448 H449 F475	T441-L445 HydrophobicContact CG2-CD1 4.36Å; T441-L445 WeakPolarHBondContact O-CG 3.44Å; T441-L445 PolarHBondContact O-N 3.23Å; H442-L445 PolarHBondContact O-N 2.92Å; L445-E448 PolarHBondContact O-N 3.26Å; L445-H449 WeakPolarHBondContact O-CB 3.26Å; L445-H449 PolarHBondContact O-N 3.24Å; L445-F475 HydrophobicContact CD2-CZ 4.31Å
446	R	88.8	Confident	91.8	Very high	80 Å²	80	52.3 Å²	52.3	30%	0.302	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.7	-156.4	172.1	80.6	-169.5	9.4	112.3	D300 H442 C444 R450	D300-R446 VanDerWaalsContact CG-NH2 3.27Å; D300-R446 IonicContact OD1-CZ 3.32Å; D300-R446 IonicContact OD1-NH2 3.29Å; D300-R446 PolarHBondContact OD1-NH2 2.87Å; D300-R446 IonicContact OD2-CZ 3.32Å; D300-R446 IonicContact OD2-NH1 2.63Å; D300-R446 IonicContact OD2-NH2 3.07Å; D300-R446 PolarHBondContact OD2-NH2 3.43Å; H442-R446 WeakPolarHBondContact O-CB 3.49Å; H442-R446 PolarHBondContact O-N 3.47Å; C444-R446 VanDerWaalsContact C-N 3.29Å; C444-R446 PolarHBondContact O-N 3.12Å; R446-R450 PolarHBondContact O-N 2.82Å
447	D	88.7	Confident	91.7	Very high	28 Å²	28	61.8 Å²	61.8	15%	0.15	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-40.6	175.9	-168.1	32.5	0	0	0	112	I295 H405 R443 C444 R450 C451	I295-D447 HydrophobicContact CD1-CB 4.41Å; H405-D447 IonicContact CE1-OD2 3.35Å; H405-D447 PolarHBondContact CE1-OD2 3.03Å; H405-D447 VanDerWaalsContact CE1-OD2 3.29Å; R443-D447 WeakPolarHBondContact O-CB 3.49Å; R443-D447 PolarHBondContact O-N 2.9Å; C444-D447 PolarHBondContact O-N 3.4Å; C444-D447 VanDerWaalsContact O-N 3.14Å; D447-R450 PolarHBondContact O-N 3.27Å; D447-R450 IonicContact OD1-CZ 2.87Å; D447-R450 IonicContact OD1-NE 2.77Å; D447-R450 PolarHBondContact OD1-NE 3.4Å; D447-R450 IonicContact OD1-NH2 3.89Å; D447-R450 PolarHBondContact OD1-NH2 3.26Å; D447-C451 WeakPolarHBondContact O-CB 3.32Å; D447-C451 PolarHBondContact O-N 3.18Å; D447-C451 PolarHBondContact O-SG 2.92Å
448	E	92.5	Very high	91.6	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.065	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-45.1	176.3	-67.9	-159.6	151.8	0	0	112.3	R404 C444 L445 R450 C451 A452 W459 R469	R404-E448 IonicContact CZ-OE1 2.76Å; R404-E448 IonicContact NE-OE1 3.98Å; R404-E448 PolarHBondContact NE-OE1 3.29Å; R404-E448 IonicContact NH2-OE1 2.97Å; R404-E448 PolarHBondContact NH2-OE1 3.37Å; R404-E448 IonicContact NH2-OE2 3.11Å; C444-E448 WeakPolarHBondContact O-CG 3.34Å; C444-E448 PolarHBondContact O-N 2.97Å; L445-E448 PolarHBondContact O-N 3.26Å; E448-R450 VanDerWaalsContact C-N 3.26Å; E448-R450 PolarHBondContact O-N 2.78Å; E448-C451 PolarHBondContact O-N 3.44Å; E448-A452 WeakPolarHBondContact O-CB 3.37Å; E448-A452 PolarHBondContact O-N 2.8Å; E448-W459 HydrophobicContact CB-CZ2 4.2Å; E448-W459 HydrophobicContact CG-CZ2 4.03Å; E448-R469 WeakPolarHBondContact OE1-CG 3.42Å; E448-R469 IonicContact OE1-NE 3.76Å; E448-R469 IonicContact OE2-CZ 3.31Å; E448-R469 IonicContact OE2-NE 3.62Å; E448-R469 PolarHBondContact OE2-NE 2.85Å; E448-R469 IonicContact OE2-NH2 3.4Å; E448-R469 PolarHBondContact OE2-NH2 3.5Å
449	H	90.4	Very high	91.6	Very high	137 Å²	137	57.1 Å²	57.1	63%	0.634	28%	0.281	S	S	*	.	H	α-helix	trans	-56.5	-45	175.9	-180	-89.4	0	0	0	110.6	L445 A452 S453	L445-H449 WeakPolarHBondContact O-CB 3.26Å; L445-H449 PolarHBondContact O-N 3.24Å; H449-A452 PolarHBondContact O-N 3.26Å; H449-S453 PolarHBondContact O-N 3.41Å; H449-S453 PolarHBondContact O-OG 2.88Å; H449-S453 VanDerWaalsContact O-OG 3.05Å
450	R	85.8	Confident	91.8	Very high	84 Å²	84	61.5 Å²	61.5	32%	0.317	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-43.8	176.2	180	-178.9	65.2	171.4	5.2	112.7	H299 R446 D447 E448 A452 S453 K454	H299-R450 PolarHBondContact CD2-NH1 3.5Å; H299-R450 PolarHBondContact CE1-NH1 2.98Å; H299-R450 PolarHBondContact NE2-NH1 2.82Å; R446-R450 PolarHBondContact O-N 2.82Å; D447-R450 PolarHBondContact O-N 3.27Å; D447-R450 IonicContact OD1-CZ 2.87Å; D447-R450 IonicContact OD1-NE 2.77Å; D447-R450 PolarHBondContact OD1-NE 3.4Å; D447-R450 IonicContact OD1-NH2 3.89Å; D447-R450 PolarHBondContact OD1-NH2 3.26Å; E448-R450 VanDerWaalsContact C-N 3.26Å; E448-R450 PolarHBondContact O-N 2.78Å; R450-A452 VanDerWaalsContact C-N 3.3Å; R450-S453 PolarHBondContact O-N 3.41Å; R450-K454 VanDerWaalsContact O-CB 3.29Å; R450-K454 WeakPolarHBondContact O-CB 3.26Å; R450-K454 PolarHBondContact O-N 2.89Å
451	C	90.4	Very high	91.9	Very high	17 Å²	17	68.3 Å²	68.3	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-36	178.4	-69.9	0	0	0	0	111.5	D447 E448 K454 Y455 W459	D447-C451 WeakPolarHBondContact O-CB 3.32Å; D447-C451 PolarHBondContact O-N 3.18Å; D447-C451 PolarHBondContact O-SG 2.92Å; E448-C451 PolarHBondContact O-N 3.44Å; C451-K454 PolarHBondContact O-N 3.09Å; C451-Y455 HydrophobicContact CB-CD2 4.19Å; C451-Y455 HydrophobicContact CB-CE2 4.44Å; C451-Y455 WeakPolarHBondContact O-CB 3.38Å; C451-Y455 WeakPolarHBondContact O-CD2 3.44Å; C451-Y455 PolarHBondContact O-N 3Å; C451-W459 HydrophobicContact CB-CD2 3.63Å; C451-W459 HydrophobicContact CB-CE3 3.55Å; C451-W459 HydrophobicContact CB-CG 4.42Å; C451-W459 HydrophobicContact CB-CH2 3.6Å; C451-W459 HydrophobicContact CB-CZ2 3.69Å; C451-W459 HydrophobicContact CB-CZ3 3.53Å
452	A	91.9	Very high	92	Very high	41 Å²	41	66.6 Å²	66.6	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-48.6	172.5	0	0	0	0	0	111.4	E448 H449 R450 K454 G456 W459	E448-A452 WeakPolarHBondContact O-CB 3.37Å; E448-A452 PolarHBondContact O-N 2.8Å; H449-A452 PolarHBondContact O-N 3.26Å; R450-A452 VanDerWaalsContact C-N 3.3Å; A452-K454 VanDerWaalsContact C-N 3.26Å; A452-K454 PolarHBondContact O-N 3.12Å; A452-G456 VanDerWaalsContact O-CA 3.32Å; A452-G456 WeakPolarHBondContact O-CA 3.32Å; A452-G456 PolarHBondContact O-N 3.43Å; A452-W459 VanDerWaalsContact CA-CD1 3.46Å; A452-W459 HydrophobicContact CB-CG 4.27Å
453	S	88.8	Confident	92.3	Very high	90 Å²	90	63.5 Å²	63.5	63%	0.629	30%	0.303	S	S	*	.	H	α-helix	trans	-61.8	-34.5	176	-53.9	0	0	0	0	112.7	H449 R450	H449-S453 PolarHBondContact O-N 3.41Å; H449-S453 PolarHBondContact O-OG 2.88Å; H449-S453 VanDerWaalsContact O-OG 3.05Å; R450-S453 PolarHBondContact O-N 3.41Å
454	K	88	Confident	92.6	Very high	81 Å²	81	64.6 Å²	64.6	35%	0.352	32%	0.324	S	S	.	.	H	α-helix	trans	-78.4	-48.4	-178.1	-176.1	178.9	179.8	-173.7	0	113.2	Y382 R450 C451 A452	Y382-K454 WeakPolarHBondContact CB-O 3.41Å; Y382-K454 VanDerWaalsContact CD1-CE 3.48Å; Y382-K454 HydrophobicContact CD1-CG 4.48Å; Y382-K454 HydrophobicContact CD2-CD 4.43Å; Y382-K454 VanDerWaalsContact CD2-CE 3.41Å; Y382-K454 HydrophobicContact CD2-CG 4.09Å; Y382-K454 HydrophobicContact CG-CD 4.45Å; Y382-K454 HydrophobicContact CG-CG 3.97Å; Y382-K454 VanDerWaalsContact CZ-NZ 3.27Å; Y382-K454 PolarHBondContact OH-NZ 2.51Å; R450-K454 VanDerWaalsContact O-CB 3.29Å; R450-K454 WeakPolarHBondContact O-CB 3.26Å; R450-K454 PolarHBondContact O-N 2.89Å; C451-K454 PolarHBondContact O-N 3.09Å; A452-K454 VanDerWaalsContact C-N 3.26Å; A452-K454 PolarHBondContact O-N 3.12Å
455	Y	91.1	Very high	92.8	Very high	20 Å²	20	67.3 Å²	67.3	8%	0.078	35%	0.347	C	S	.	.	H	α-helix	trans	-104.2	-9.9	-170.4	-56.7	-63.4	0	0	0	113.7	C380 Y382 S392 L394 C451 R457 D458 W459	C380-Y455 HydrophobicContact CB-CD1 3.7Å; C380-Y455 HydrophobicContact CB-CE1 4.19Å; C380-Y455 HydrophobicContact CB-CG 4.39Å; Y382-Y455 HydrophobicContact CD1-CD1 4.15Å; Y382-Y455 AromaticContact CD1-CE1 3.71Å; Y382-Y455 HydrophobicContact CD1-CE1 3.71Å; Y382-Y455 HydrophobicContact CE1-CE1 4.17Å; Y382-Y455 HydrophobicContact CG-CE1 4.45Å; S392-Y455 PolarHBondContact OG-OH 2.85Å; L394-Y455 HydrophobicContact CD1-CD2 4.31Å; L394-Y455 HydrophobicContact CD2-CD2 4.4Å; L394-Y455 HydrophobicContact CD2-CE2 3.94Å; C451-Y455 HydrophobicContact CB-CD2 4.19Å; C451-Y455 HydrophobicContact CB-CE2 4.44Å; C451-Y455 WeakPolarHBondContact O-CB 3.38Å; C451-Y455 WeakPolarHBondContact O-CD2 3.44Å; C451-Y455 PolarHBondContact O-N 3Å; Y455-R457 PolarHBondContact O-N 2.97Å; Y455-D458 PolarHBondContact O-N 3.28Å; Y455-W459 HydrophobicContact CD2-CE3 4.29Å
456	G	92.3	Very high	93	Very high	34 Å²	34	63.7 Å²	63.7	35%	0.351	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-122	176.1	0	0	0	0	0	112.8	A452 D458 W459 E460	A452-G456 VanDerWaalsContact O-CA 3.32Å; A452-G456 WeakPolarHBondContact O-CA 3.32Å; A452-G456 PolarHBondContact O-N 3.43Å; G456-D458 PolarHBondContact O-N 3.39Å; G456-W459 WeakPolarHBondContact O-CA 3.33Å; G456-W459 VanDerWaalsContact O-CB 3.23Å; G456-W459 WeakPolarHBondContact O-CB 3.39Å; G456-W459 PolarHBondContact O-N 2.88Å; G456-E460 PolarHBondContact O-N 3.25Å
457	R	94.4	Very high	93.4	Very high	203 Å²	203	63.4 Å²	63.4	77%	0.766	34%	0.336	S	S	*	.	H	α-helix	trans	-58.3	-31	-179.6	-67.9	-174.9	178.9	-179.8	0.1	114	Y455 W459 E460 R461	Y455-R457 PolarHBondContact O-N 2.97Å; R457-W459 VanDerWaalsContact C-N 3.26Å; R457-W459 PolarHBondContact O-N 3.12Å; R457-E460 WeakPolarHBondContact O-CB 3.32Å; R457-E460 PolarHBondContact O-N 3.02Å; R457-R461 WeakPolarHBondContact O-CG 3.17Å; R457-R461 PolarHBondContact O-N 2.85Å; R457-R461 VanDerWaalsContact O-N 3.07Å
458	D	95.4	Very high	93.8	Very high	28 Å²	28	66.5 Å²	66.5	15%	0.15	35%	0.347	C	S	.	.	H	α-helix	trans	-71.2	-27.3	177.1	-66.5	-41.6	0	0	0	111.5	C380 S381 Y455 G456 R461 Y462	C380-D458 VanDerWaalsContact CA-OD2 3.3Å; C380-D458 WeakPolarHBondContact CA-OD2 3.49Å; C380-D458 HydrophobicContact CB-CB 3.91Å; C380-D458 VanDerWaalsContact SG-CB 3.59Å; S381-D458 PolarHBondContact N-OD2 3.24Å; Y455-D458 PolarHBondContact O-N 3.28Å; G456-D458 PolarHBondContact O-N 3.39Å; D458-R461 IonicContact OD1-NH1 3.95Å; D458-R461 PolarHBondContact OD1-NH1 3.16Å; D458-Y462 PolarHBondContact O-N 3.3Å; D458-Y462 VanDerWaalsContact O-N 3.09Å
459	W	96.2	Very high	94	Very high	20 Å²	20	69.5 Å²	69.5	8%	0.076	36%	0.357	C	S	.	.	H	α-helix	trans	-69.1	-40.7	169.6	-170.5	-114.2	0	0	0	112	L394 E448 C451 A452 Y455 G456 R457 R461 Y462 T463	L394-W459 HydrophobicContact CD1-CE3 3.87Å; L394-W459 HydrophobicContact CD1-CZ3 4.21Å; E448-W459 HydrophobicContact CB-CZ2 4.2Å; E448-W459 HydrophobicContact CG-CZ2 4.03Å; C451-W459 HydrophobicContact CB-CD2 3.63Å; C451-W459 HydrophobicContact CB-CE3 3.55Å; C451-W459 HydrophobicContact CB-CG 4.42Å; C451-W459 HydrophobicContact CB-CH2 3.6Å; C451-W459 HydrophobicContact CB-CZ2 3.69Å; C451-W459 HydrophobicContact CB-CZ3 3.53Å; A452-W459 VanDerWaalsContact CA-CD1 3.46Å; A452-W459 HydrophobicContact CB-CG 4.27Å; Y455-W459 HydrophobicContact CD2-CE3 4.29Å; G456-W459 WeakPolarHBondContact O-CA 3.33Å; G456-W459 VanDerWaalsContact O-CB 3.23Å; G456-W459 WeakPolarHBondContact O-CB 3.39Å; G456-W459 PolarHBondContact O-N 2.88Å; R457-W459 VanDerWaalsContact C-N 3.26Å; R457-W459 PolarHBondContact O-N 3.12Å; W459-R461 VanDerWaalsContact C-N 3.28Å; W459-R461 PolarHBondContact O-N 3.03Å; W459-Y462 HydrophobicContact CD2-CD1 4.32Å; W459-Y462 AromaticContact CE3-CD1 3.65Å; W459-Y462 HydrophobicContact CE3-CD1 3.65Å; W459-Y462 HydrophobicContact CE3-CE1 4.41Å; W459-Y462 HydrophobicContact CE3-CG 4.2Å; W459-Y462 AromaticContact CH2-CD1 3.6Å; W459-Y462 HydrophobicContact CH2-CD1 3.6Å; W459-Y462 AromaticContact CH2-CE1 3.63Å; W459-Y462 HydrophobicContact CH2-CE1 3.63Å; W459-Y462 HydrophobicContact CZ2-CD1 4.25Å; W459-Y462 AromaticContact CZ3-CD1 3.25Å; W459-Y462 HydrophobicContact CZ3-CD1 3.25Å; W459-Y462 AromaticContact CZ3-CE1 3.56Å; W459-Y462 HydrophobicContact CZ3-CE1 3.56Å; W459-Y462 HydrophobicContact CZ3-CG 4.1Å; W459-Y462 CarbonylContact O-C 3.46Å; W459-Y462 WeakPolarHBondContact O-CA 3.14Å; W459-Y462 WeakPolarHBondContact O-CB 3.24Å; W459-Y462 PolarHBondContact O-N 2.96Å; W459-T463 HydrophobicContact CD2-CG2 4.34Å; W459-T463 HydrophobicContact CG-CG2 4.43Å; W459-T463 HydrophobicContact CZ2-CG2 4.25Å; W459-T463 WeakPolarHBondContact O-CG2 3.2Å; W459-T463 PolarHBondContact O-N 2.9Å; W459-T463 PolarHBondContact O-OG1 3.25Å
460	E	96.5	Very high	94.1	Very high	126 Å²	126	63.5 Å²	63.5	59%	0.589	33%	0.33	S	S	*	.	H	α-helix	trans	-60.1	-40.1	175.2	-63.8	170.4	178.4	0	0	111.4	G456 R457 Y462 T463 A464	G456-E460 PolarHBondContact O-N 3.25Å; R457-E460 WeakPolarHBondContact O-CB 3.32Å; R457-E460 PolarHBondContact O-N 3.02Å; E460-Y462 VanDerWaalsContact C-N 3.31Å; E460-Y462 PolarHBondContact O-N 3.35Å; E460-T463 PolarHBondContact O-N 3.17Å; E460-T463 PolarHBondContact O-OG1 3.24Å; E460-T463 VanDerWaalsContact O-OG1 3.06Å; E460-A464 WeakPolarHBondContact O-CB 3.42Å; E460-A464 PolarHBondContact O-N 3.41Å
461	R	96.8	Very high	94.5	Very high	146 Å²	146	63.2 Å²	63.2	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-63.3	-38.5	172.7	-68	172.2	66.1	-161.1	3.7	111.9	I378 R457 D458 W459 A465	I378-R461 HydrophobicContact CD1-CB 4.17Å; R457-R461 WeakPolarHBondContact O-CG 3.17Å; R457-R461 PolarHBondContact O-N 2.85Å; R457-R461 VanDerWaalsContact O-N 3.07Å; D458-R461 IonicContact OD1-NH1 3.95Å; D458-R461 PolarHBondContact OD1-NH1 3.16Å; W459-R461 VanDerWaalsContact C-N 3.28Å; W459-R461 PolarHBondContact O-N 3.03Å; R461-A465 WeakPolarHBondContact O-CB 3.45Å; R461-A465 PolarHBondContact O-N 3.36Å
462	Y	97.1	Very high	94.6	Very high	10 Å²	10	65.3 Å²	65.3	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-66.8	-45.8	177	-178.5	-104.5	0	0	0	112.3	I378 L394 L395 V396 R404 D458 W459 E460 A464 A465 V466	I378-Y462 HydrophobicContact CD1-CD2 4.31Å; L394-Y462 HydrophobicContact CB-CD2 3.74Å; L394-Y462 HydrophobicContact CB-CE2 4.07Å; L394-Y462 HydrophobicContact CB-CG 4.39Å; L394-Y462 HydrophobicContact CD1-CD2 4.11Å; L394-Y462 HydrophobicContact CD1-CG 3.91Å; L395-Y462 WeakPolarHBondContact O-CE2 3.33Å; V396-Y462 HydrophobicContact CG1-CD2 3.31Å; V396-Y462 HydrophobicContact CG1-CE2 3.43Å; V396-Y462 VanDerWaalsContact CG1-CE2 3.43Å; R404-Y462 HydrophobicContact CB-CE1 4.12Å; R404-Y462 HydrophobicContact CG-CD1 4.26Å; R404-Y462 HydrophobicContact CG-CE1 3.54Å; D458-Y462 PolarHBondContact O-N 3.3Å; D458-Y462 VanDerWaalsContact O-N 3.09Å; W459-Y462 HydrophobicContact CD2-CD1 4.32Å; W459-Y462 AromaticContact CE3-CD1 3.65Å; W459-Y462 HydrophobicContact CE3-CD1 3.65Å; W459-Y462 HydrophobicContact CE3-CE1 4.41Å; W459-Y462 HydrophobicContact CE3-CG 4.2Å; W459-Y462 AromaticContact CH2-CD1 3.6Å; W459-Y462 HydrophobicContact CH2-CD1 3.6Å; W459-Y462 AromaticContact CH2-CE1 3.63Å; W459-Y462 HydrophobicContact CH2-CE1 3.63Å; W459-Y462 HydrophobicContact CZ2-CD1 4.25Å; W459-Y462 AromaticContact CZ3-CD1 3.25Å; W459-Y462 HydrophobicContact CZ3-CD1 3.25Å; W459-Y462 AromaticContact CZ3-CE1 3.56Å; W459-Y462 HydrophobicContact CZ3-CE1 3.56Å; W459-Y462 HydrophobicContact CZ3-CG 4.1Å; W459-Y462 CarbonylContact O-C 3.46Å; W459-Y462 WeakPolarHBondContact O-CA 3.14Å; W459-Y462 WeakPolarHBondContact O-CB 3.24Å; W459-Y462 PolarHBondContact O-N 2.96Å; E460-Y462 VanDerWaalsContact C-N 3.31Å; E460-Y462 PolarHBondContact O-N 3.35Å; Y462-A464 VanDerWaalsContact C-N 3.32Å; Y462-A464 PolarHBondContact O-N 3.05Å; Y462-A465 PolarHBondContact O-N 3.36Å; Y462-V466 HydrophobicContact CE2-CG2 4.47Å; Y462-V466 PolarHBondContact O-N 2.82Å
463	T	96.9	Very high	94.7	Very high	41 Å²	41	66.2 Å²	66.2	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-69.2	-30.1	177.9	58.1	0	0	0	0	112.1	W459 E460 V466 P467	W459-T463 HydrophobicContact CD2-CG2 4.34Å; W459-T463 HydrophobicContact CG-CG2 4.43Å; W459-T463 HydrophobicContact CZ2-CG2 4.25Å; W459-T463 WeakPolarHBondContact O-CG2 3.2Å; W459-T463 PolarHBondContact O-N 2.9Å; W459-T463 PolarHBondContact O-OG1 3.25Å; E460-T463 PolarHBondContact O-N 3.17Å; E460-T463 PolarHBondContact O-OG1 3.24Å; E460-T463 VanDerWaalsContact O-OG1 3.06Å; T463-V466 CarbonylContact O-C 3.59Å; T463-V466 VanDerWaalsContact O-C 3.31Å; T463-P467 WeakPolarHBondContact O-CA 3.37Å
464	A	97.1	Very high	94.9	Very high	79 Å²	79	68.4 Å²	68.4	65%	0.653	36%	0.364	S	S	*	.	H	α-helix	trans	-67.5	-38.4	170.3	0	0	0	0	0	112.5	E460 Y462	E460-A464 WeakPolarHBondContact O-CB 3.42Å; E460-A464 PolarHBondContact O-N 3.41Å; Y462-A464 VanDerWaalsContact C-N 3.32Å; Y462-A464 PolarHBondContact O-N 3.05Å
465	A	97.1	Very high	95.1	Very high	57 Å²	57	68 Å²	68	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-73.9	-34.2	178.9	0	0	0	0	0	113.1	I378 V396 R461 Y462	I378-A465 HydrophobicContact CD1-CB 4.37Å; V396-A465 HydrophobicContact CG1-CB 4.21Å; R461-A465 WeakPolarHBondContact O-CB 3.45Å; R461-A465 PolarHBondContact O-N 3.36Å; Y462-A465 PolarHBondContact O-N 3.36Å
466	V	97.4	Very high	95.3	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.006	38%	0.377	C	S	.	.	S	Bend	trans	-129.5	84.1	-179.4	-173	0	0	0	0	107.5	V396 R404 Y462 T463 Y468	V396-V466 HydrophobicContact CB-CG2 4.13Å; V396-V466 HydrophobicContact CG1-CG2 4.03Å; R404-V466 WeakPolarHBondContact CD-O 3.22Å; R404-V466 HydrophobicContact CG-CB 4.04Å; R404-V466 HydrophobicContact CG-CG1 3.81Å; R404-V466 WeakPolarHBondContact CG-O 3.4Å; R404-V466 PolarHBondContact NH1-O 3.39Å; Y462-V466 HydrophobicContact CE2-CG2 4.47Å; Y462-V466 PolarHBondContact O-N 2.82Å; T463-V466 CarbonylContact O-C 3.59Å; T463-V466 VanDerWaalsContact O-C 3.31Å; V466-Y468 PolarHBondContact O-N 2.91Å
467	P	96.4	Very high	95.4	Very high	74 Å²	74	72.3 Å²	72.3	48%	0.481	38%	0.378	S	S	.	.			trans	-72.1	-25.4	-167.2	26.3	-34.5	0	0	0	114.7	R404 T463	R404-P467 PolarHBondContact NH1-O 3.48Å; T463-P467 WeakPolarHBondContact O-CA 3.37Å
468	Y	97.6	Very high	95.5	Very high	94 Å²	94	65.1 Å²	65.1	37%	0.369	36%	0.356	S	S	.	.			trans	-89.6	141	-176.3	-50.5	-68.7	0	0	0	112.6	A403 R404 V466 P472 G473	A403-Y468 WeakPolarHBondContact CA-O 3.16Å; R404-Y468 PolarHBondContact N-O 2.95Å; V466-Y468 PolarHBondContact O-N 2.91Å; Y468-P472 HydrophobicContact CD2-CB 3.84Å; Y468-P472 HydrophobicContact CD2-CG 4.49Å; Y468-P472 HydrophobicContact CE2-CB 4.16Å; Y468-P472 HydrophobicContact CG-CB 4.27Å; Y468-G473 VanDerWaalsContact CD1-N 3.29Å; Y468-G473 VanDerWaalsContact CZ-N 3.32Å
469	R	95.6	Very high	95.5	Very high	77 Å²	77	67.2 Å²	67.2	29%	0.291	37%	0.369	S	S	.	.	S	Bend	trans	-78.2	-54.7	175.9	-68.8	-178	171.2	118.7	0.3	111.3	R404 H405 E448 F475	R404-R469 PolarHBondContact N-O 3.48Å; H405-R469 WeakPolarHBondContact CA-O 3.06Å; H405-R469 WeakPolarHBondContact CB-O 3.49Å; H405-R469 PolarHBondContact N-O 2.96Å; E448-R469 WeakPolarHBondContact OE1-CG 3.42Å; E448-R469 IonicContact OE1-NE 3.76Å; E448-R469 IonicContact OE2-CZ 3.31Å; E448-R469 IonicContact OE2-NE 3.62Å; E448-R469 PolarHBondContact OE2-NE 2.85Å; E448-R469 IonicContact OE2-NH2 3.4Å; E448-R469 PolarHBondContact OE2-NH2 3.5Å; R469-F475 HydrophobicContact CB-CD1 3.75Å; R469-F475 HydrophobicContact CB-CE1 3.78Å; R469-F475 HydrophobicContact CB-CG 4.45Å; R469-F475 HydrophobicContact CB-CZ 4.5Å; R469-F475 WeakPolarHBondContact CB-O 3.4Å; R469-F475 HydrophobicContact CG-CD1 4.41Å; R469-F475 HydrophobicContact CG-CE1 4.17Å; R469-F475 HydrophobicContact CG-CZ 4.42Å; R469-F475 PolarHBondContact N-O 3.04Å; R469-F475 PolarHBondContact N-OXT 2.84Å
470	L	93.9	Very high	95.4	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.052	39%	0.387	C	S	.	.	S	Bend	trans	-125.2	-72.1	-171.8	-68.8	176	0	0	0	110.8	A403 H405 Y408 V409 P472 F475	A403-L470 VanDerWaalsContact CB-O 3.24Å; A403-L470 WeakPolarHBondContact CB-O 3.31Å; H405-L470 HydrophobicContact CB-CD2 3.87Å; Y408-L470 HydrophobicContact CD2-CD2 4.01Å; Y408-L470 HydrophobicContact CG-CD2 4.3Å; V409-L470 HydrophobicContact CG2-CB 4.2Å; V409-L470 WeakPolarHBondContact CG2-O 3.37Å; L470-P472 WeakPolarHBondContact O-CD 3.43Å; L470-F475 HydrophobicContact CB-CD1 4.28Å; L470-F475 HydrophobicContact CD1-CD1 4Å; L470-F475 HydrophobicContact CD1-CE1 4.18Å; L470-F475 HydrophobicContact CG-CD1 4.18Å; L470-F475 HydrophobicContact CG-CE1 4.49Å; L470-F475 PolarHBondContact N-OXT 3.16Å
471	L	93.8	Very high	95.3	Very high	79 Å²	79	66.5 Å²	66.5	41%	0.414	37%	0.373	S	S	.	.	S	Bend	trans	-104.4	112.7	-172.1	-71.6	177.8	0	0	0	109.3	V409 G473 I474 F475	V409-L471 HydrophobicContact CG1-CD2 3.79Å; V409-L471 HydrophobicContact CG2-CD2 3.94Å; V409-L471 HydrophobicContact CG2-CG 4.48Å; L471-G473 PolarHBondContact O-N 3.49Å; L471-I474 HydrophobicContact CB-CB 4.08Å; L471-I474 HydrophobicContact CB-CD1 4.21Å; L471-I474 HydrophobicContact CB-CG1 4.48Å; L471-I474 HydrophobicContact CD1-CD1 4.15Å; L471-I474 PolarHBondContact O-N 3.26Å; L471-F475 PolarHBondContact N-OXT 2.78Å; L471-F475 PolarHBondContact O-N 3.19Å; L471-F475 VanDerWaalsContact O-N 3.1Å
472	P	92.8	Very high	95.2	Very high	61 Å²	61	60.8 Å²	60.8	40%	0.396	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	129.6	177.9	-26.8	35.1	0	0	0	112.3	V402 F406 Y468 L470 I474	V402-P472 HydrophobicContact CG1-CG 3.56Å; F406-P472 HydrophobicContact CE2-CG 4.39Å; Y468-P472 HydrophobicContact CD2-CB 3.84Å; Y468-P472 HydrophobicContact CD2-CG 4.49Å; Y468-P472 HydrophobicContact CE2-CB 4.16Å; Y468-P472 HydrophobicContact CG-CB 4.27Å; L470-P472 WeakPolarHBondContact O-CD 3.43Å; P472-I474 VanDerWaalsContact C-N 3.32Å
473	G	92.4	Very high	95.1	Very high	59 Å²	59	64.7 Å²	64.7	61%	0.608	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-5.9	-178.1	0	0	0	0	0	115.5	Y468 L471	Y468-G473 VanDerWaalsContact CD1-N 3.29Å; Y468-G473 VanDerWaalsContact CZ-N 3.32Å; L471-G473 PolarHBondContact O-N 3.49Å
474	I	93.5	Very high	94.9	Very high	137 Å²	137	66.7 Å²	66.7	70%	0.703	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-59.2	-178	-57.4	175.5	0	0	0	111.2	L471 P472	L471-I474 HydrophobicContact CB-CB 4.08Å; L471-I474 HydrophobicContact CB-CD1 4.21Å; L471-I474 HydrophobicContact CB-CG1 4.48Å; L471-I474 HydrophobicContact CD1-CD1 4.15Å; L471-I474 PolarHBondContact O-N 3.26Å; P472-I474 VanDerWaalsContact C-N 3.32Å
475	F	91.8	Very high	94.8	Very high	72 Å²	72	65.5 Å²	65.5	32%	0.316	37%	0.373	S	S	.	.			trans	-151.3	0	-174.8	-178.5	-108.7	0	0	0	110.3	T441 L445 R469 L470 L471	T441-F475 HydrophobicContact CG2-CE1 4.15Å; T441-F475 HydrophobicContact CG2-CZ 4.15Å; L445-F475 HydrophobicContact CD2-CZ 4.31Å; R469-F475 HydrophobicContact CB-CD1 3.75Å; R469-F475 HydrophobicContact CB-CE1 3.78Å; R469-F475 HydrophobicContact CB-CG 4.45Å; R469-F475 HydrophobicContact CB-CZ 4.5Å; R469-F475 WeakPolarHBondContact CB-O 3.4Å; R469-F475 HydrophobicContact CG-CD1 4.41Å; R469-F475 HydrophobicContact CG-CE1 4.17Å; R469-F475 HydrophobicContact CG-CZ 4.42Å; R469-F475 PolarHBondContact N-O 3.04Å; R469-F475 PolarHBondContact N-OXT 2.84Å; L470-F475 HydrophobicContact CB-CD1 4.28Å; L470-F475 HydrophobicContact CD1-CD1 4Å; L470-F475 HydrophobicContact CD1-CE1 4.18Å; L470-F475 HydrophobicContact CG-CD1 4.18Å; L470-F475 HydrophobicContact CG-CE1 4.49Å; L470-F475 PolarHBondContact N-OXT 3.16Å; L471-F475 PolarHBondContact N-OXT 2.78Å; L471-F475 PolarHBondContact O-N 3.19Å; L471-F475 VanDerWaalsContact O-N 3.1Å

Retrieved 475 of 475 residues in 142.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).