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Interleukin-23 subunit alpha

Associates with IL12B to form the pro-inflammatory cytokine IL-23 that plays different roles in innate and adaptive immunity. Released by antigen-presenting cells such as dendritic cells or macrophages, binds to a heterodimeric receptor complex composed of IL12RB1 and IL23R to activate JAK2 and TYK2 which then phosphorylate the receptor to form a docking site leading to the phosphorylation of STAT3 and STAT4. This process leads to activation of several pathways including p38 MAPK or NF-kappa-B and promotes the production of pro-inflammatory cytokines such as interleukin-17A/IL17A. In turn, participates in the early and effective intracellular bacterial clearance. Promotes the expansion and survival of T-helper 17 cells, a CD4-positive helper T-cell subset that produces IL-17, as well as other IL-17-producing cells.

AlphaFold DB , UniProt , Accession A0A2K6CMV4, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene IL23A, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

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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	53.2	Low	54.8	Low	229 Å²	229	123.5 Å²	123.5	100%	1.128	67%	0.671	S	S	*	*				0	37.1	0	-70.8	-68.5	162.3	0	0	112.8
2	L	52.3	Low	54.9	Low	159 Å²	159	121.7 Å²	121.7	83%	0.832	66%	0.659	S	S	*	*			trans	-114.8	-14.2	177.6	-114.2	75.6	0	0	0	113.9
3	G	48.3	Very low	54.6	Low	54 Å²	54	121.4 Å²	121.4	56%	0.557	66%	0.656	S	S	*	*	H	α-helix	trans	-75.4	-33.9	-177	0	0	0	0	0	114.6	R5 V7	G3-R5 PolarHBondContact O-N 2.92Å; G3-V7 WeakPolarHBondContact O-CG2 3.44Å
4	S	53.6	Low	54.1	Low	99 Å²	99	117.4 Å²	117.4	69%	0.692	64%	0.642	S	S	*	*	H	α-helix	trans	-74.8	-24.7	-176.1	-64.9	0	0	0	0	114.4	M8	S4-M8 PolarHBondContact O-N 2.75Å
5	R	54	Low	53.5	Low	204 Å²	204	122.9 Å²	122.9	77%	0.77	65%	0.65	S	S	*	*	H	α-helix	trans	-80.1	-30.9	-179.7	-66	-179.6	90.6	171.7	5	112.2	G3 L9	G3-R5 PolarHBondContact O-N 2.92Å; R5-L9 PolarHBondContact O-N 2.86Å
6	A	56.4	Low	53.1	Low	52 Å²	52	122.9 Å²	122.9	43%	0.43	66%	0.656	S	S	.	*	H	α-helix	trans	-69.4	-37.7	175.7	0	0	0	0	0	112.1	L9 L10	A6-L9 PolarHBondContact O-N 3.08Å; A6-L10 PolarHBondContact O-N 3.4Å; A6-L10 VanDerWaalsContact O-N 3.16Å
7	V	58.1	Low	52.5	Low	86 Å²	86	120.5 Å²	120.5	52%	0.521	66%	0.658	S	S	.	*	H	α-helix	trans	-67.7	-38.2	177	178.5	0	0	0	0	111.6	G3 L10 L11	G3-V7 WeakPolarHBondContact O-CG2 3.44Å; V7-L10 PolarHBondContact O-N 3.44Å; V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 WeakPolarHBondContact O-CG 3.21Å; V7-L11 PolarHBondContact O-N 3.26Å; V7-L11 VanDerWaalsContact O-N 3.14Å
8	M	57.7	Low	51.9	Low	128 Å²	128	122.2 Å²	122.2	63%	0.631	66%	0.66	S	S	*	*	H	α-helix	trans	-66.2	-36	175.6	-85.8	-88.7	-96.1	0	0	113.2	S4 L12	S4-M8 PolarHBondContact O-N 2.75Å; M8-L12 WeakPolarHBondContact O-CD1 3.47Å; M8-L12 WeakPolarHBondContact O-CG 3.38Å; M8-L12 PolarHBondContact O-N 2.91Å
9	L	56.2	Low	51.3	Low	114 Å²	114	118.9 Å²	118.9	60%	0.597	66%	0.658	S	S	*	*	H	α-helix	trans	-73	-34	177.7	-80.1	160	0	0	0	112.6	R5 A6 L12 L13	R5-L9 PolarHBondContact O-N 2.86Å; A6-L9 PolarHBondContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-L13 PolarHBondContact O-N 3.08Å
10	L	56.1	Low	50.7	Low	124 Å²	124	125.1 Å²	125.1	65%	0.649	67%	0.671	S	S	*	*	H	α-helix	trans	-69.1	-35.4	174.3	-79.2	158.2	0	0	0	112.4	A6 V7 S14	A6-L10 PolarHBondContact O-N 3.4Å; A6-L10 VanDerWaalsContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.44Å; L10-S14 PolarHBondContact O-OG 3.29Å
11	L	56.8	Low	50.3	Low	109 Å²	109	123.6 Å²	123.6	57%	0.571	68%	0.676	S	S	*	*	H	α-helix	trans	-70.5	-31.2	175.9	-79.1	160.6	0	0	0	113.3	V7 S14	V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 WeakPolarHBondContact O-CG 3.21Å; V7-L11 PolarHBondContact O-N 3.26Å; V7-L11 VanDerWaalsContact O-N 3.14Å; L11-S14 PolarHBondContact O-OG 3.47Å
12	L	55.6	Low	49.9	Very low	102 Å²	102	116.4 Å²	116.4	53%	0.534	65%	0.645	S	S	.	*	H	α-helix	trans	-74.8	-29	178	-76.7	162.8	0	0	0	112.9	M8 L9	M8-L12 WeakPolarHBondContact O-CD1 3.47Å; M8-L12 WeakPolarHBondContact O-CG 3.38Å; M8-L12 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.34Å
13	L	51.5	Low	49.4	Very low	118 Å²	118	112.8 Å²	112.8	62%	0.618	63%	0.631	S	S	*	*	H	α-helix	trans	-73.3	-31	177.7	-76.8	159.1	0	0	0	112.5	L9 W15 T16	L9-L13 PolarHBondContact O-N 3.08Å; L13-W15 PolarHBondContact O-N 3.13Å; L13-T16 PolarHBondContact O-N 3.32Å; L13-T16 PolarHBondContact O-OG1 3.03Å; L13-T16 VanDerWaalsContact O-OG1 3.08Å
14	S	47.7	Very low	49.2	Very low	65 Å²	65	114.2 Å²	114.2	46%	0.455	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-18.9	177.6	28.5	0	0	0	0	114.9	L10 L11	L10-S14 PolarHBondContact O-OG 3.29Å; L11-S14 PolarHBondContact O-OG 3.47Å
15	W	45.2	Very low	49.3	Very low	201 Å²	201	110.9 Å²	110.9	76%	0.761	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-15	178.5	-81.8	-8.5	0	0	0	114.6	L13 A17	L13-W15 PolarHBondContact O-N 3.13Å; W15-A17 VanDerWaalsContact C-N 3.33Å
16	T	46.7	Very low	49.9	Very low	123 Å²	123	104.5 Å²	104.5	76%	0.755	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-5.4	176.9	61.8	0	0	0	0	113.4	L13	L13-T16 PolarHBondContact O-N 3.32Å; L13-T16 PolarHBondContact O-OG1 3.03Å; L13-T16 VanDerWaalsContact O-OG1 3.08Å
17	A	43.5	Very low	50.8	Low	82 Å²	82	105.5 Å²	105.5	68%	0.678	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	20.1	178.3	0	0	0	0	0	113.5	W15 G19	W15-A17 VanDerWaalsContact C-N 3.33Å; A17-G19 PolarHBondContact O-N 2.65Å
18	Q	41.8	Very low	52.1	Low	150 Å²	150	102.3 Å²	102.3	70%	0.701	60%	0.598	S	S	*	*			trans	-72.7	77.6	157.6	-117.9	97.5	26.2	0	0	107.5	R20	Q18-R20 PolarHBondContact O-N 2.85Å
19	G	40.5	Very low	53.8	Low	61 Å²	61	98.3 Å²	98.3	63%	0.629	59%	0.585	S	S	*	*			trans	-48	128.5	156.9	0	0	0	0	0	106.8	A17 A21	A17-G19 PolarHBondContact O-N 2.65Å; G19-A21 PolarHBondContact O-N 3.07Å
20	R	38.9	Very low	55.6	Low	241 Å²	241	93.2 Å²	93.2	91%	0.909	56%	0.558	S	S	*	*			trans	-42.5	102.1	179.5	-78.5	178.5	170.2	136.2	-4.2	108.7	Q18 V22	Q18-R20 PolarHBondContact O-N 2.85Å; R20-V22 VanDerWaalsContact C-N 3.32Å; R20-V22 PolarHBondContact O-N 2.9Å
21	A	41.6	Very low	57.4	Low	95 Å²	95	90 Å²	90	79%	0.785	55%	0.549	S	S	*	.			trans	-67.2	102.8	170.1	0	0	0	0	0	105	G19	G19-A21 PolarHBondContact O-N 3.07Å
22	V	45.3	Very low	59.3	Low	78 Å²	78	89.7 Å²	89.7	47%	0.473	55%	0.545	S	S	.	.			trans	-60.9	132.9	173.9	-178.7	0	0	0	0	106.6	R20 G24	R20-V22 VanDerWaalsContact C-N 3.32Å; R20-V22 PolarHBondContact O-N 2.9Å; V22-G24 PolarHBondContact O-N 2.82Å
23	P	42.9	Very low	61.2	Low	83 Å²	83	84.8 Å²	84.8	54%	0.539	52%	0.52	S	S	.	.			trans	-59.3	116.9	179.1	-17.1	29.3	0	0	0	108.5	G25	P23-G25 PolarHBondContact O-N 3.06Å
24	G	43.3	Very low	63.5	Low	84 Å²	84	83 Å²	83	87%	0.866	51%	0.508	S	S	*	.			trans	-68.5	85.2	166.5	0	0	0	0	0	108.2	V22	V22-G24 PolarHBondContact O-N 2.82Å
25	G	56.3	Low	65.8	Low	28 Å²	28	86.6 Å²	86.6	29%	0.289	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-64.5	150.1	174.1	0	0	0	0	0	110.7	P23 S27	P23-G25 PolarHBondContact O-N 3.06Å; G25-S27 PolarHBondContact O-N 3.45Å
26	S	65.3	Low	68.3	Low	70 Å²	70	79.3 Å²	79.3	49%	0.49	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-49.5	133.9	166.7	36.2	0	0	0	0	109.4	E138	S26-E138 PolarHBondContact OG-OE2 3.2Å
27	S	76.3	Confident	70.8	Confident	74 Å²	74	73.5 Å²	73.5	52%	0.517	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-58.9	133.7	172.7	178.2	0	0	0	0	108.4	G25 W30	G25-S27 PolarHBondContact O-N 3.45Å; S27-W30 PolarHBondContact OG-NE1 2.88Å
28	P	85.4	Confident	73.4	Confident	18 Å²	18	75 Å²	75	12%	0.117	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-64.4	161	178.2	31.2	-37.9	0	0	0	110.3	W30 L90 L135	P28-W30 HydrophobicContact CG-CD2 3.81Å; P28-W30 HydrophobicContact CG-CE3 4.11Å; P28-W30 HydrophobicContact CG-CG 4.41Å; P28-W30 HydrophobicContact CG-CH2 3.96Å; P28-W30 HydrophobicContact CG-CZ2 3.64Å; P28-W30 HydrophobicContact CG-CZ3 4.19Å; P28-W30 PolarHBondContact O-N 3.15Å; P28-L90 HydrophobicContact CG-CD1 3.7Å; P28-L90 HydrophobicContact CG-CD2 4.33Å; P28-L135 HydrophobicContact CB-CD2 4.41Å
29	A	92.4	Very high	76	Confident	44 Å²	44	72.6 Å²	72.6	36%	0.364	44%	0.438	S	S	.	.			trans	-70.1	76.6	171.4	0	0	0	0	0	110.4	A31 Q32 C33	A29-A31 VanDerWaalsContact C-N 3.32Å; A29-A31 PolarHBondContact O-N 3.19Å; A29-Q32 HydrophobicContact CB-CB 4.1Å; A29-Q32 HydrophobicContact CB-CG 4.15Å; A29-Q32 PolarHBondContact O-N 3.47Å; A29-C33 PolarHBondContact O-N 3.39Å; A29-C33 PolarHBondContact O-SG 3.42Å; A29-C33 VanDerWaalsContact O-SG 3.32Å
30	W	94.4	Very high	78.7	Confident	7 Å²	7	69.8 Å²	69.8	3%	0.027	41%	0.408	C	S	.	.	H	α-helix	trans	-51.2	-46.3	-170.7	-70	112.9	0	0	0	113.4	S27 P28 Q32 C33 Q34 L90 V179 F180 A184 L187	S27-W30 PolarHBondContact OG-NE1 2.88Å; P28-W30 HydrophobicContact CG-CD2 3.81Å; P28-W30 HydrophobicContact CG-CE3 4.11Å; P28-W30 HydrophobicContact CG-CG 4.41Å; P28-W30 HydrophobicContact CG-CH2 3.96Å; P28-W30 HydrophobicContact CG-CZ2 3.64Å; P28-W30 HydrophobicContact CG-CZ3 4.19Å; P28-W30 PolarHBondContact O-N 3.15Å; W30-Q32 PolarHBondContact O-N 3.14Å; W30-C33 PolarHBondContact O-N 3.32Å; W30-Q34 WeakPolarHBondContact O-CB 3.49Å; W30-Q34 PolarHBondContact O-N 2.92Å; W30-L90 HydrophobicContact CH2-CD1 4.25Å; W30-L90 HydrophobicContact CH2-CD2 4.03Å; W30-L90 HydrophobicContact CH2-CG 4.48Å; W30-L90 HydrophobicContact CZ3-CD2 4.14Å; W30-V179 HydrophobicContact CZ3-CG1 4.43Å; W30-F180 AromaticContact CE3-CD1 3.85Å; W30-F180 HydrophobicContact CE3-CD1 3.85Å; W30-F180 AromaticContact CZ3-CD1 3.81Å; W30-F180 HydrophobicContact CZ3-CD1 3.81Å; W30-F180 HydrophobicContact CZ3-CE1 4.28Å; W30-A184 HydrophobicContact CB-CB 4.04Å; W30-L187 HydrophobicContact CH2-CD1 4.11Å; W30-L187 HydrophobicContact CZ2-CB 4.36Å; W30-L187 HydrophobicContact CZ2-CD1 3.71Å
31	A	95.2	Very high	81.5	Confident	56 Å²	56	59.1 Å²	59.1	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-41.2	179.3	0	0	0	0	0	112.8	A29 Q34 Q35	A29-A31 VanDerWaalsContact C-N 3.32Å; A29-A31 PolarHBondContact O-N 3.19Å; A31-Q34 PolarHBondContact O-N 3.08Å; A31-Q35 WeakPolarHBondContact O-CG 3.41Å; A31-Q35 PolarHBondContact O-N 3.45Å
32	Q	95.4	Very high	84.1	Confident	103 Å²	103	58.7 Å²	58.7	48%	0.481	36%	0.359	S	S	.	.	H	α-helix	trans	-68.8	-41.2	177.1	-62.2	-179.7	19.2	0	0	110.9	A29 W30 Q34 Q35 L36 L134	A29-Q32 HydrophobicContact CB-CB 4.1Å; A29-Q32 HydrophobicContact CB-CG 4.15Å; A29-Q32 PolarHBondContact O-N 3.47Å; W30-Q32 PolarHBondContact O-N 3.14Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.28Å; Q32-Q35 PolarHBondContact O-N 3.38Å; Q32-L36 PolarHBondContact O-N 3.44Å; Q32-L134 HydrophobicContact CB-CD1 3.92Å
33	C	96.8	Very high	86.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64	-38.1	175.7	-62.3	0	0	0	0	111.7	A29 W30 S37 L131 F180	A29-C33 PolarHBondContact O-N 3.39Å; A29-C33 PolarHBondContact O-SG 3.42Å; A29-C33 VanDerWaalsContact O-SG 3.32Å; W30-C33 PolarHBondContact O-N 3.32Å; C33-S37 WeakPolarHBondContact O-CB 3.45Å; C33-S37 PolarHBondContact O-N 3.45Å; C33-S37 PolarHBondContact O-OG 3.15Å; C33-L131 HydrophobicContact CB-CD1 3.98Å; C33-F180 HydrophobicContact CB-CB 4.19Å; C33-F180 HydrophobicContact CB-CD1 3.32Å; C33-F180 HydrophobicContact CB-CD2 4.17Å; C33-F180 HydrophobicContact CB-CE1 3.66Å; C33-F180 HydrophobicContact CB-CE2 4.45Å; C33-F180 HydrophobicContact CB-CG 3.63Å; C33-F180 HydrophobicContact CB-CZ 4.23Å
34	Q	97.9	Very high	88.9	Confident	79 Å²	79	51.7 Å²	51.7	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-48	174.4	-178.2	-171.8	6.1	0	0	111.1	W30 A31 Q32 L36 S37 Q38 F180 A181 A184	W30-Q34 WeakPolarHBondContact O-CB 3.49Å; W30-Q34 PolarHBondContact O-N 2.92Å; A31-Q34 PolarHBondContact O-N 3.08Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.28Å; Q34-L36 PolarHBondContact O-N 3.22Å; Q34-S37 WeakPolarHBondContact CA-OG 3.38Å; Q34-S37 PolarHBondContact O-N 3.41Å; Q34-S37 PolarHBondContact O-OG 3.27Å; Q34-S37 VanDerWaalsContact O-OG 3.08Å; Q34-Q38 VanDerWaalsContact O-CB 3.3Å; Q34-Q38 WeakPolarHBondContact O-CB 3.13Å; Q34-Q38 PolarHBondContact O-N 2.91Å; Q34-F180 HydrophobicContact CB-CB 4.26Å; Q34-A181 HydrophobicContact CG-CB 4.27Å; Q34-A184 HydrophobicContact CB-CB 4.29Å
35	Q	97.5	Very high	91.1	Very high	141 Å²	141	55.6 Å²	55.6	66%	0.659	30%	0.303	S	S	*	.	H	α-helix	trans	-60.5	-47.6	178.7	-72.9	174.2	-23.3	0	0	111.9	A31 Q32 K39	A31-Q35 WeakPolarHBondContact O-CG 3.41Å; A31-Q35 PolarHBondContact O-N 3.45Å; Q32-Q35 PolarHBondContact O-N 3.38Å; Q35-K39 PolarHBondContact O-N 3.29Å
36	L	97.4	Very high	92.7	Very high	48 Å²	48	57.5 Å²	57.5	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-69.1	-40.9	179.9	-73.1	-174	0	0	0	112.8	Q32 Q34 Q38 K39 L40 L131 L134	Q32-L36 PolarHBondContact O-N 3.44Å; Q34-L36 PolarHBondContact O-N 3.22Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 2.66Å; L36-K39 WeakPolarHBondContact O-CB 3.27Å; L36-K39 PolarHBondContact O-N 3.13Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 2.75Å; L36-L131 HydrophobicContact CB-CB 4.44Å; L36-L131 HydrophobicContact CB-CD1 4.2Å; L36-L131 HydrophobicContact CD1-CB 4.48Å; L36-L134 HydrophobicContact CD1-CD1 3.49Å; L36-L134 VanDerWaalsContact CD1-CD1 3.49Å; L36-L134 HydrophobicContact CD1-CG 4.3Å; L36-L134 HydrophobicContact CG-CD1 4.46Å
37	S	98	Very high	93.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-34.3	177.2	58.5	0	0	0	0	112.8	C33 Q34 L40 C41	C33-S37 WeakPolarHBondContact O-CB 3.45Å; C33-S37 PolarHBondContact O-N 3.45Å; C33-S37 PolarHBondContact O-OG 3.15Å; Q34-S37 WeakPolarHBondContact CA-OG 3.38Å; Q34-S37 PolarHBondContact O-N 3.41Å; Q34-S37 PolarHBondContact O-OG 3.27Å; Q34-S37 VanDerWaalsContact O-OG 3.08Å; S37-L40 WeakPolarHBondContact O-CB 3.06Å; S37-L40 PolarHBondContact O-N 3.45Å; S37-C41 PolarHBondContact O-N 3.37Å; S37-C41 PolarHBondContact O-SG 3.48Å; S37-C41 VanDerWaalsContact O-SG 3.37Å
38	Q	98	Very high	93.3	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-43.1	171.1	-173.5	62.1	34.2	0	0	111.4	Q34 L36 L40 C41 T42	Q34-Q38 VanDerWaalsContact O-CB 3.3Å; Q34-Q38 WeakPolarHBondContact O-CB 3.13Å; Q34-Q38 PolarHBondContact O-N 2.91Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 2.66Å; Q38-L40 VanDerWaalsContact C-N 3.3Å; Q38-L40 PolarHBondContact O-N 2.86Å; Q38-C41 WeakPolarHBondContact O-CB 3.24Å; Q38-C41 PolarHBondContact O-N 2.85Å; Q38-T42 PolarHBondContact O-N 3.38Å; Q38-T42 PolarHBondContact O-OG1 3.44Å
39	K	97.5	Very high	92.4	Very high	100 Å²	100	55 Å²	55	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-41.7	173.6	-178.6	-176.1	176.4	-172.4	0	111.5	Q35 L36 C41 T42 L43	Q35-K39 PolarHBondContact O-N 3.29Å; L36-K39 WeakPolarHBondContact O-CB 3.27Å; L36-K39 PolarHBondContact O-N 3.13Å; K39-C41 VanDerWaalsContact C-N 3.34Å; K39-C41 PolarHBondContact O-N 3.27Å; K39-T42 PolarHBondContact O-N 3.28Å; K39-L43 HydrophobicContact CD-CD1 4.5Å; K39-L43 HydrophobicContact CG-CD1 4.03Å; K39-L43 HydrophobicContact CG-CG 4.44Å; K39-L43 WeakPolarHBondContact O-CG 3.47Å; K39-L43 PolarHBondContact O-N 3.19Å
40	L	97.6	Very high	90.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-41.3	175.6	-79.4	173.4	0	0	0	112.4	L36 S37 Q38 T42 L43 A44 L97 L124 L128 L131 V173	L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 2.75Å; S37-L40 WeakPolarHBondContact O-CB 3.06Å; S37-L40 PolarHBondContact O-N 3.45Å; Q38-L40 VanDerWaalsContact C-N 3.3Å; Q38-L40 PolarHBondContact O-N 2.86Å; L40-T42 PolarHBondContact O-N 2.94Å; L40-L43 PolarHBondContact O-N 2.94Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.24Å; L40-A44 PolarHBondContact O-N 3.24Å; L40-L97 HydrophobicContact CD1-CD2 4.2Å; L40-L124 HydrophobicContact CD2-CD1 3.63Å; L40-L128 HydrophobicContact CD1-CD2 4.02Å; L40-L128 HydrophobicContact CD2-CD2 3.78Å; L40-L128 HydrophobicContact CD2-CG 3.84Å; L40-L131 HydrophobicContact CD1-CB 4.16Å; L40-L131 HydrophobicContact CD1-CD2 3.49Å; L40-L131 VanDerWaalsContact CD1-CD2 3.49Å; L40-L131 HydrophobicContact CD1-CG 4.48Å; L40-V173 HydrophobicContact CB-CB 4.41Å; L40-V173 HydrophobicContact CB-CG1 4.27Å
41	C	97.2	Very high	88.6	Confident	17 Å²	17	64.4 Å²	64.4	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-57.2	-51.8	173.5	-68.1	0	0	0	0	110.5	S37 Q38 K39 L43 A44 W45 A177	S37-C41 PolarHBondContact O-N 3.37Å; S37-C41 PolarHBondContact O-SG 3.48Å; S37-C41 VanDerWaalsContact O-SG 3.37Å; Q38-C41 WeakPolarHBondContact O-CB 3.24Å; Q38-C41 PolarHBondContact O-N 2.85Å; K39-C41 VanDerWaalsContact C-N 3.34Å; K39-C41 PolarHBondContact O-N 3.27Å; C41-L43 VanDerWaalsContact C-N 3.33Å; C41-L43 PolarHBondContact O-N 3.45Å; C41-A44 PolarHBondContact O-N 2.99Å; C41-W45 PolarHBondContact O-N 3.02Å; C41-A177 VanDerWaalsContact SG-CB 3.58Å
42	T	96	Very high	86.4	Confident	87 Å²	87	64.8 Å²	64.8	53%	0.534	35%	0.345	S	S	.	.	H	α-helix	trans	-57.1	-45.8	178.9	-55.6	0	0	0	0	112.2	Q38 K39 L40 W45 S46	Q38-T42 PolarHBondContact O-N 3.38Å; Q38-T42 PolarHBondContact O-OG1 3.44Å; K39-T42 PolarHBondContact O-N 3.28Å; L40-T42 PolarHBondContact O-N 2.94Å; T42-W45 PolarHBondContact O-N 3.45Å; T42-S46 WeakPolarHBondContact O-CB 3.45Å; T42-S46 PolarHBondContact O-N 2.84Å; T42-S46 PolarHBondContact O-OG 3.4Å
43	L	95	Very high	84.2	Confident	13 Å²	13	66.4 Å²	66.4	7%	0.068	35%	0.352	C	S	.	.	H	α-helix	trans	-67.4	-39	179.6	-72.7	173.1	0	0	0	112.9	K39 L40 C41 W45 S46 A47 Q123 L124 S127	K39-L43 HydrophobicContact CD-CD1 4.5Å; K39-L43 HydrophobicContact CG-CD1 4.03Å; K39-L43 HydrophobicContact CG-CG 4.44Å; K39-L43 WeakPolarHBondContact O-CG 3.47Å; K39-L43 PolarHBondContact O-N 3.19Å; L40-L43 PolarHBondContact O-N 2.94Å; C41-L43 VanDerWaalsContact C-N 3.33Å; C41-L43 PolarHBondContact O-N 3.45Å; L43-W45 VanDerWaalsContact C-N 3.26Å; L43-W45 PolarHBondContact O-N 3.42Å; L43-S46 WeakPolarHBondContact CA-OG 3.33Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 2.7Å; L43-A47 WeakPolarHBondContact O-CB 3.32Å; L43-A47 PolarHBondContact O-N 2.85Å; L43-Q123 HydrophobicContact CD1-CB 4.19Å; L43-Q123 HydrophobicContact CD2-CB 4.05Å; L43-L124 HydrophobicContact CB-CB 4.22Å; L43-L124 HydrophobicContact CB-CD1 3.87Å; L43-S127 WeakPolarHBondContact CD1-OG 3.48Å
44	A	93.9	Very high	82.1	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-31.7	179	0	0	0	0	0	112.3	L40 C41 L124 Q170 V173	L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.24Å; L40-A44 PolarHBondContact O-N 3.24Å; C41-A44 PolarHBondContact O-N 2.99Å; A44-L124 HydrophobicContact CB-CD1 4.38Å; A44-Q170 HydrophobicContact CB-CG 3.88Å; A44-Q170 PolarHBondContact O-NE2 3.38Å; A44-V173 HydrophobicContact CB-CG2 4.08Å
45	W	90.3	Very high	80.1	Confident	167 Å²	167	72.4 Å²	72.4	63%	0.633	39%	0.385	S	S	*	.	H	α-helix	trans	-80.6	-37.2	173.9	-72.6	106.1	0	0	0	112.9	C41 T42 L43 Q170	C41-W45 PolarHBondContact O-N 3.02Å; T42-W45 PolarHBondContact O-N 3.45Å; L43-W45 VanDerWaalsContact C-N 3.26Å; L43-W45 PolarHBondContact O-N 3.42Å; W45-Q170 HydrophobicContact CD2-CG 4.22Å; W45-Q170 HydrophobicContact CZ2-CB 4.33Å; W45-Q170 HydrophobicContact CZ2-CG 4.44Å
46	S	88.4	Confident	78.4	Confident	67 Å²	67	67.6 Å²	67.6	47%	0.469	36%	0.363	S	S	.	.	H	α-helix	trans	-78	-25.8	179.7	70.1	0	0	0	0	114	T42 L43 H48	T42-S46 WeakPolarHBondContact O-CB 3.45Å; T42-S46 PolarHBondContact O-N 2.84Å; T42-S46 PolarHBondContact O-OG 3.4Å; L43-S46 WeakPolarHBondContact CA-OG 3.33Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 2.7Å; S46-H48 VanDerWaalsContact C-N 3.28Å
47	A	83.8	Confident	76.5	Confident	12 Å²	12	75.8 Å²	75.8	10%	0.099	39%	0.391	C	S	.	.	S	Bend	trans	-77	-14.8	174.8	0	0	0	0	0	113.2	L43 P49 P120 V121 L124	L43-A47 WeakPolarHBondContact O-CB 3.32Å; L43-A47 PolarHBondContact O-N 2.85Å; A47-P49 WeakPolarHBondContact O-CD 3.39Å; A47-P120 HydrophobicContact CB-CB 3.87Å; A47-V121 HydrophobicContact CB-CG2 3.9Å; A47-L124 HydrophobicContact CB-CD2 4.14Å
48	H	71.3	Confident	74.7	Confident	34 Å²	34	80.9 Å²	80.9	16%	0.157	42%	0.415	C	S	.	.	S	Bend	trans	-81.3	121	176.7	-153.6	76.4	0	0	0	109.3	S46 F163 L166	S46-H48 VanDerWaalsContact C-N 3.28Å; H48-F163 AromaticContact CE1-CD1 3.56Å; H48-F163 PolarHBondContact CE1-O 2.94Å; H48-F163 AromaticContact NE2-CD1 3.62Å; H48-L166 WeakPolarHBondContact ND1-CB 3.16Å
49	P	67.1	Low	72.3	Confident	64 Å²	64	85.8 Å²	85.8	42%	0.416	44%	0.437	S	S	.	.			trans	-58.4	144.1	172.8	-19.8	30.4	0	0	0	110.2	A47 V51 F163	A47-P49 WeakPolarHBondContact O-CD 3.39Å; P49-V51 HydrophobicContact CB-CG2 4.18Å; P49-V51 PolarHBondContact O-N 2.91Å; P49-F163 HydrophobicContact CB-CE1 3.78Å; P49-F163 HydrophobicContact CB-CZ 3.75Å; P49-F163 HydrophobicContact CG-CE1 3.65Å; P49-F163 HydrophobicContact CG-CZ 3.58Å
50	L	53.8	Low	70.2	Confident	184 Å²	184	83.1 Å²	83.1	96%	0.963	44%	0.439	S	S	*	.			trans	-66.2	39.8	171.9	-99.9	144.9	0	0	0	112.3	G52	L50-G52 PolarHBondContact O-N 2.77Å; L50-G52 VanDerWaalsContact O-N 3.13Å
51	V	52.7	Low	68.1	Low	64 Å²	64	85.6 Å²	85.6	39%	0.388	45%	0.452	S	S	.	.			trans	-78.8	97.7	166.1	-179	0	0	0	0	105	P49 H53 M54 F163	P49-V51 HydrophobicContact CB-CG2 4.18Å; P49-V51 PolarHBondContact O-N 2.91Å; V51-H53 PolarHBondContact O-N 3.27Å; V51-M54 HydrophobicContact CG1-CG 3.95Å; V51-M54 HydrophobicContact CG1-SD 3.76Å; V51-F163 HydrophobicContact CB-CE1 3.83Å; V51-F163 HydrophobicContact CB-CZ 3.82Å; V51-F163 HydrophobicContact CG2-CE1 4.01Å; V51-F163 HydrophobicContact CG2-CE2 4.45Å; V51-F163 HydrophobicContact CG2-CZ 3.53Å
52	G	49.6	Very low	66	Low	64 Å²	64	92.6 Å²	92.6	66%	0.66	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	129.2	-175.3	0	0	0	0	0	110.5	L50 M54	L50-G52 PolarHBondContact O-N 2.77Å; L50-G52 VanDerWaalsContact O-N 3.13Å; G52-M54 PolarHBondContact O-N 2.63Å
53	H	48.7	Very low	63.9	Low	138 Å²	138	96.1 Å²	96.1	64%	0.639	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-2.2	68.4	176.1	-160.9	65.4	0	0	0	114.5	V51 D55	V51-H53 PolarHBondContact O-N 3.27Å; H53-D55 VanDerWaalsContact C-N 3.32Å; H53-D55 IonicContact CD2-OD1 3.77Å; H53-D55 IonicContact CD2-OD2 3.65Å; H53-D55 PolarHBondContact CD2-OD2 3.49Å; H53-D55 IonicContact CE1-OD1 2.82Å; H53-D55 PolarHBondContact CE1-OD1 3.14Å; H53-D55 VanDerWaalsContact CE1-OD1 3.32Å; H53-D55 IonicContact ND1-OD1 3.71Å; H53-D55 IonicContact NE2-OD1 3.86Å; H53-D55 PolarHBondContact NE2-OD1 2.86Å; H53-D55 VanDerWaalsContact NE2-OD1 3.13Å; H53-D55 IonicContact NE2-OD2 3.98Å; H53-D55 PolarHBondContact NE2-OD2 2.95Å; H53-D55 PolarHBondContact O-N 3.15Å
54	M	51.8	Low	62.1	Low	106 Å²	106	99.3 Å²	99.3	52%	0.522	51%	0.514	S	S	.	.			trans	-74	103.6	165.9	-75.1	-168.7	74.2	0	0	103	V51 G52 L56 R167	V51-M54 HydrophobicContact CG1-CG 3.95Å; V51-M54 HydrophobicContact CG1-SD 3.76Å; G52-M54 PolarHBondContact O-N 2.63Å; M54-L56 HydrophobicContact CB-CD1 4.34Å; M54-L56 HydrophobicContact CB-CD2 4.23Å; M54-L56 HydrophobicContact CB-CG 3.92Å; M54-L56 HydrophobicContact CE-CD2 4.12Å; M54-L56 PolarHBondContact O-N 3.25Å; M54-R167 PolarHBondContact O-NH1 3.31Å; M54-R167 VanDerWaalsContact O-NH1 3.07Å; M54-R167 PolarHBondContact O-NH2 3.35Å
55	D	57.1	Low	60.5	Low	99 Å²	99	102.2 Å²	102.2	53%	0.529	53%	0.531	S	S	.	.			trans	-67.4	82.8	164.8	-83.7	-32.3	0	0	0	107	H53 R57 R167	H53-D55 VanDerWaalsContact C-N 3.32Å; H53-D55 IonicContact CD2-OD1 3.77Å; H53-D55 IonicContact CD2-OD2 3.65Å; H53-D55 PolarHBondContact CD2-OD2 3.49Å; H53-D55 IonicContact CE1-OD1 2.82Å; H53-D55 PolarHBondContact CE1-OD1 3.14Å; H53-D55 VanDerWaalsContact CE1-OD1 3.32Å; H53-D55 IonicContact ND1-OD1 3.71Å; H53-D55 IonicContact NE2-OD1 3.86Å; H53-D55 PolarHBondContact NE2-OD1 2.86Å; H53-D55 VanDerWaalsContact NE2-OD1 3.13Å; H53-D55 IonicContact NE2-OD2 3.98Å; H53-D55 PolarHBondContact NE2-OD2 2.95Å; H53-D55 PolarHBondContact O-N 3.15Å; D55-R57 PolarHBondContact O-N 3.41Å; D55-R167 IonicContact OD1-NH1 3.83Å
56	L	60.4	Low	59.1	Low	39 Å²	39	100.4 Å²	100.4	20%	0.204	53%	0.534	C	S	.	.			trans	-74.7	51.7	174	-66.1	159.2	0	0	0	109.6	M54 E58 L160 F163 K164	M54-L56 HydrophobicContact CB-CD1 4.34Å; M54-L56 HydrophobicContact CB-CD2 4.23Å; M54-L56 HydrophobicContact CB-CG 3.92Å; M54-L56 HydrophobicContact CE-CD2 4.12Å; M54-L56 PolarHBondContact O-N 3.25Å; L56-E58 PolarHBondContact O-N 3.36Å; L56-L160 HydrophobicContact CB-CD1 3.97Å; L56-L160 HydrophobicContact CD1-CD1 3.27Å; L56-L160 HydrophobicContact CD2-CD1 3.29Å; L56-L160 HydrophobicContact CG-CD1 3.63Å; L56-F163 HydrophobicContact CD1-CB 4.09Å; L56-K164 WeakPolarHBondContact O-CE 3.22Å
57	R	58.9	Low	58.4	Low	220 Å²	220	103.6 Å²	103.6	83%	0.83	55%	0.546	S	S	*	.			trans	-76.2	109.2	168.5	-82.2	-173	-179.3	-173.2	0.4	107.4	D55	D55-R57 PolarHBondContact O-N 3.41Å
58	E	59.7	Low	58.5	Low	109 Å²	109	104.8 Å²	104.8	51%	0.509	55%	0.552	S	S	.	*			trans	-98.3	148.7	167.5	-67.2	176.1	135.4	0	0	108.4	L56 G60 D61 K164	L56-E58 PolarHBondContact O-N 3.36Å; E58-G60 PolarHBondContact O-N 3.32Å; E58-D61 PolarHBondContact O-N 3.09Å; E58-D61 VanDerWaalsContact O-N 3.08Å; E58-K164 IonicContact OE2-NZ 3.32Å; E58-K164 PolarHBondContact OE2-NZ 3.42Å
59	E	48.7	Very low	59.2	Low	216 Å²	216	104.4 Å²	104.4	100%	1.009	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-3.8	-179.3	-81.1	166.8	148.7	0	0	114.4
60	G	52.8	Low	60.4	Low	45 Å²	45	105.3 Å²	105.3	46%	0.464	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.5	9.5	175.4	0	0	0	0	0	115.7	E58 E62 E63	E58-G60 PolarHBondContact O-N 3.32Å; G60-E62 PolarHBondContact O-N 3.41Å; G60-E63 PolarHBondContact O-N 3.31Å
61	D	53.8	Low	62.3	Low	52 Å²	52	98.3 Å²	98.3	28%	0.278	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-28.6	-178.9	-125.1	30.1	0	0	0	111.9	E58 E63 T64 T65 K164	E58-D61 PolarHBondContact O-N 3.09Å; E58-D61 VanDerWaalsContact O-N 3.08Å; D61-E63 PolarHBondContact O-N 3.43Å; D61-T64 PolarHBondContact O-N 2.77Å; D61-T64 PolarHBondContact O-OG1 3.4Å; D61-T64 VanDerWaalsContact O-OG1 3.14Å; D61-T65 WeakPolarHBondContact O-CG2 3.35Å; D61-T65 PolarHBondContact O-N 2.72Å; D61-T65 VanDerWaalsContact O-N 3.08Å; D61-K164 IonicContact OD1-NZ 2.82Å; D61-K164 PolarHBondContact OD1-NZ 2.94Å
62	E	52.3	Low	64.3	Low	165 Å²	165	101.7 Å²	101.7	77%	0.771	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-36.2	-177	-160.2	171.7	-161.8	0	0	112.8	G60 T65 N66	G60-E62 PolarHBondContact O-N 3.41Å; E62-T65 PolarHBondContact O-OG1 3.38Å; E62-N66 PolarHBondContact O-ND2 2.83Å
63	E	52.3	Low	66.4	Low	161 Å²	161	105.2 Å²	105.2	75%	0.752	54%	0.539	S	S	*	.	H	α-helix	trans	-72.5	-42.1	178.8	-167.3	168	-170.1	0	0	111.6	G60 D61 T65 N66	G60-E63 PolarHBondContact O-N 3.31Å; D61-E63 PolarHBondContact O-N 3.43Å; E63-T65 PolarHBondContact O-N 3.43Å; E63-N66 PolarHBondContact O-N 3.03Å; E63-N66 PolarHBondContact O-ND2 3.16Å
64	T	57.2	Low	68.5	Low	80 Å²	80	102.3 Å²	102.3	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-75.2	-20.7	-178	59.2	0	0	0	0	114.5	D61 N66 D67	D61-T64 PolarHBondContact O-N 2.77Å; D61-T64 PolarHBondContact O-OG1 3.4Å; D61-T64 VanDerWaalsContact O-OG1 3.14Å; T64-N66 PolarHBondContact O-N 2.88Å; T64-D67 PolarHBondContact O-N 3.14Å
65	T	59.8	Low	70.6	Confident	61 Å²	61	98.2 Å²	98.2	37%	0.374	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.1	174.6	55.9	0	0	0	0	113.6	D61 E62 E63 D67 V68 H70	D61-T65 WeakPolarHBondContact O-CG2 3.35Å; D61-T65 PolarHBondContact O-N 2.72Å; D61-T65 VanDerWaalsContact O-N 3.08Å; E62-T65 PolarHBondContact O-OG1 3.38Å; E63-T65 PolarHBondContact O-N 3.43Å; T65-D67 VanDerWaalsContact C-N 3.28Å; T65-D67 PolarHBondContact O-N 2.98Å; T65-V68 PolarHBondContact O-N 3.5Å; T65-H70 PolarHBondContact O-NE2 3.32Å
66	N	60.2	Low	72.4	Confident	129 Å²	129	94.1 Å²	94.1	69%	0.69	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-69.4	-26	-179.7	-69.6	-57.6	0	0	0	113.1	E62 E63 T64	E62-N66 PolarHBondContact O-ND2 2.83Å; E63-N66 PolarHBondContact O-N 3.03Å; E63-N66 PolarHBondContact O-ND2 3.16Å; T64-N66 PolarHBondContact O-N 2.88Å
67	D	75.3	Confident	74.2	Confident	133 Å²	133	93 Å²	93	71%	0.711	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-85.9	-14.9	-177.7	-65.7	-30.2	0	0	0	113.1	T64 T65	T64-D67 PolarHBondContact O-N 3.14Å; T65-D67 VanDerWaalsContact C-N 3.28Å; T65-D67 PolarHBondContact O-N 2.98Å
68	V	85.1	Confident	76	Confident	37 Å²	37	86.3 Å²	86.3	22%	0.224	48%	0.483	C	S	.	.	S	Bend	trans	-91	126.6	178.8	-179.9	0	0	0	0	109.4	T65 H70 F99 Y100	T65-V68 PolarHBondContact O-N 3.5Å; V68-H70 PolarHBondContact O-CD2 3.31Å; V68-H70 PolarHBondContact O-N 3.39Å; V68-H70 PolarHBondContact O-NE2 2.77Å; V68-F99 HydrophobicContact CB-CE1 4.42Å; V68-F99 HydrophobicContact CB-CZ 4.45Å; V68-F99 HydrophobicContact CG1-CE1 3.97Å; V68-F99 HydrophobicContact CG1-CZ 4.48Å; V68-F99 HydrophobicContact CG2-CE1 4.34Å; V68-F99 HydrophobicContact CG2-CZ 4.2Å; V68-Y100 WeakPolarHBondContact CG1-OH 3.25Å
69	P	87.1	Confident	77.8	Confident	26 Å²	26	84.9 Å²	84.9	17%	0.169	48%	0.484	C	S	.	.			trans	-68.8	123.3	177.6	27.3	-32.4	0	0	0	110.7	F99	P69-F99 VanDerWaalsContact CD-CD1 3.41Å; P69-F99 VanDerWaalsContact CD-CG 3.41Å; P69-F99 HydrophobicContact CG-CB 3.57Å; P69-F99 HydrophobicContact CG-CD1 3.68Å; P69-F99 HydrophobicContact CG-CD2 3.88Å; P69-F99 HydrophobicContact CG-CE1 4.3Å; P69-F99 HydrophobicContact CG-CG 3.43Å; P69-F99 VanDerWaalsContact CG-CG 3.43Å
70	H	91.2	Very high	80	Confident	84 Å²	84	79.1 Å²	79.1	39%	0.389	46%	0.457	S	S	.	.			trans	-109.7	154.4	172.1	-59.9	-71.9	0	0	0	110.2	T65 V68 Q72	T65-H70 PolarHBondContact O-NE2 3.32Å; V68-H70 PolarHBondContact O-CD2 3.31Å; V68-H70 PolarHBondContact O-N 3.39Å; V68-H70 PolarHBondContact O-NE2 2.77Å; H70-Q72 HydrophobicContact CB-CG 4.34Å; H70-Q72 PolarHBondContact O-N 2.99Å
71	I	94.3	Very high	82	Confident	37 Å²	37	77.6 Å²	77.6	19%	0.19	44%	0.441	C	S	.	.			trans	-84.2	103.9	165.7	-62.5	170.5	0	0	0	106.8	D75 C77 I93 F172 V175	I71-D75 HydrophobicContact CG2-CB 4.42Å; I71-C77 HydrophobicContact CG2-CB 3.62Å; I71-C77 WeakPolarHBondContact CG2-SG 3.42Å; I71-I93 HydrophobicContact CD1-CG1 3.86Å; I71-F172 HydrophobicContact CD1-CD2 4.04Å; I71-F172 HydrophobicContact CD1-CE2 3.81Å; I71-F172 HydrophobicContact CG1-CD2 4.11Å; I71-F172 HydrophobicContact CG1-CE2 3.9Å; I71-V175 HydrophobicContact CB-CG1 4.22Å; I71-V175 HydrophobicContact CD1-CB 3.92Å; I71-V175 HydrophobicContact CD1-CG1 3.56Å; I71-V175 HydrophobicContact CG1-CG1 4.49Å; I71-V175 HydrophobicContact CG2-CG1 3.99Å
72	Q	94.3	Very high	84	Confident	134 Å²	134	75.3 Å²	75.3	63%	0.626	43%	0.429	S	S	*	.			trans	-90.9	166.2	-173.2	-58.5	-171.4	15.3	0	0	112.3	H70 G74 D75	H70-Q72 HydrophobicContact CB-CG 4.34Å; H70-Q72 PolarHBondContact O-N 2.99Å; Q72-G74 PolarHBondContact O-N 3.35Å; Q72-D75 PolarHBondContact N-OD2 3.18Å; Q72-D75 WeakPolarHBondContact O-CB 3.16Å; Q72-D75 PolarHBondContact O-N 2.95Å
73	C	93.6	Very high	86	Confident	139 Å²	139	76.2 Å²	76.2	94%	0.939	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	128.3	165.3	-61.9	0	0	0	0	109.5
74	G	92.7	Very high	87.9	Confident	77 Å²	77	73.9 Å²	73.9	79%	0.794	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-5.9	-178.1	0	0	0	0	0	115.1	Q72 G76	Q72-G74 PolarHBondContact O-N 3.35Å; G74-G76 PolarHBondContact O-N 2.88Å
75	D	95.5	Very high	89.5	Confident	19 Å²	19	72.1 Å²	72.1	10%	0.102	41%	0.406	C	S	.	.	S	Bend	trans	-73.8	0.4	171.8	-79	-29.9	0	0	0	113.5	I71 Q72 C77 C89 R92	I71-D75 HydrophobicContact CG2-CB 4.42Å; Q72-D75 PolarHBondContact N-OD2 3.18Å; Q72-D75 WeakPolarHBondContact O-CB 3.16Å; Q72-D75 PolarHBondContact O-N 2.95Å; D75-C77 VanDerWaalsContact C-N 3.31Å; D75-C77 PolarHBondContact O-N 2.96Å; D75-C89 WeakPolarHBondContact O-CA 3.46Å; D75-C89 PolarHBondContact O-N 2.63Å; D75-R92 HydrophobicContact CB-CG 3.95Å; D75-R92 IonicContact OD1-CZ 3.55Å; D75-R92 IonicContact OD1-NE 3.47Å; D75-R92 PolarHBondContact OD1-NE 3.32Å; D75-R92 IonicContact OD1-NH2 3.7Å; D75-R92 IonicContact OD2-NE 3.29Å
76	G	96.1	Very high	91.1	Very high	13 Å²	13	70.1 Å²	70.1	13%	0.134	39%	0.394	C	S	.	.	S	Bend	trans	73.6	17.5	175.5	0	0	0	0	0	114.7	G74 D78 G81 L82 C89	G74-G76 PolarHBondContact O-N 2.88Å; G76-D78 VanDerWaalsContact C-N 3.32Å; G76-G81 CarbonylContact O-C 3.24Å; G76-G81 VanDerWaalsContact O-C 3.29Å; G76-L82 PolarHBondContact O-N 2.95Å; G76-C89 WeakPolarHBondContact O-CB 3.47Å
77	C	97.4	Very high	92.6	Very high	17 Å²	17	65.8 Å²	65.8	12%	0.115	37%	0.369	C	S	.	.			trans	-87.6	2.7	177.4	-68	0	0	0	0	114.2	I71 D75 C89 V179	I71-C77 HydrophobicContact CG2-CB 3.62Å; I71-C77 WeakPolarHBondContact CG2-SG 3.42Å; D75-C77 VanDerWaalsContact C-N 3.31Å; D75-C77 PolarHBondContact O-N 2.96Å; C77-C89 WeakPolarHBondContact CA-SG 3.29Å; C77-C89 HydrophobicContact CB-CB 3.98Å; C77-C89 WeakPolarHBondContact CB-SG 3.26Å; C77-C89 WeakPolarHBondContact SG-CA 3.43Å; C77-C89 WeakPolarHBondContact SG-CB 3.3Å; C77-C89 CovalentContact SG-SG 2.03Å; C77-C89 PolarHBondContact SG-SG 2.9Å; C77-V179 HydrophobicContact CB-CG2 3.94Å
78	D	97.2	Very high	93.3	Very high	78 Å²	78	64.9 Å²	64.9	42%	0.417	36%	0.36	S	S	.	.	S	Bend	trans	-76	157.4	166.8	66.6	-77.8	0	0	0	110.7	G76 Q80 G81 L82	G76-D78 VanDerWaalsContact C-N 3.32Å; D78-Q80 PolarHBondContact O-N 3.2Å; D78-Q80 VanDerWaalsContact O-N 3.12Å; D78-Q80 WeakPolarHBondContact OD2-CB 3.28Å; D78-Q80 PolarHBondContact OD2-N 3.32Å; D78-G81 PolarHBondContact O-N 2.84Å; D78-G81 VanDerWaalsContact O-N 3.13Å; D78-G81 PolarHBondContact OD2-N 3.45Å; D78-L82 WeakPolarHBondContact O-CG 3.17Å; D78-L82 PolarHBondContact O-N 3Å
79	P	96.9	Very high	93.8	Very high	80 Å²	80	63.1 Å²	63.1	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-54.8	-34.5	-176.6	-29	36.6	0	0	0	114.6	R83	P79-R83 PolarHBondContact O-N 3.37Å
80	Q	95.2	Very high	94.2	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-73.4	-46.4	179	-177.2	58.4	40.2	0	0	110.5	D78 L82 R83 D84	D78-Q80 PolarHBondContact O-N 3.2Å; D78-Q80 VanDerWaalsContact O-N 3.12Å; D78-Q80 WeakPolarHBondContact OD2-CB 3.28Å; D78-Q80 PolarHBondContact OD2-N 3.32Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.29Å; Q80-R83 WeakPolarHBondContact O-CB 3.37Å; Q80-R83 PolarHBondContact O-N 3.42Å; Q80-R83 VanDerWaalsContact O-N 3.14Å; Q80-D84 VanDerWaalsContact NE2-CG 3.25Å; Q80-D84 PolarHBondContact NE2-OD1 3.22Å; Q80-D84 PolarHBondContact NE2-OD2 2.84Å; Q80-D84 VanDerWaalsContact O-CG 3.31Å; Q80-D84 PolarHBondContact O-N 2.85Å
81	G	95.3	Very high	94.2	Very high	13 Å²	13	63 Å²	63	13%	0.134	35%	0.347	C	S	.	.	H	α-helix	trans	-56.7	-40.5	173.5	0	0	0	0	0	113.5	G76 D78 R83 D84 N85	G76-G81 CarbonylContact O-C 3.24Å; G76-G81 VanDerWaalsContact O-C 3.29Å; D78-G81 PolarHBondContact O-N 2.84Å; D78-G81 VanDerWaalsContact O-N 3.13Å; D78-G81 PolarHBondContact OD2-N 3.45Å; G81-R83 VanDerWaalsContact C-N 3.35Å; G81-R83 PolarHBondContact O-N 3.13Å; G81-D84 PolarHBondContact O-N 3.08Å; G81-N85 CarbonylContact O-C 3.29Å; G81-N85 PolarHBondContact O-N 3.13Å
82	L	95.6	Very high	94.2	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-39.4	176.4	-69.9	177	0	0	0	112.8	G76 D78 Q80 S86 C89 V179 L187	G76-L82 PolarHBondContact O-N 2.95Å; D78-L82 WeakPolarHBondContact O-CG 3.17Å; D78-L82 PolarHBondContact O-N 3Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.29Å; L82-S86 PolarHBondContact O-N 3.3Å; L82-C89 HydrophobicContact CD2-CB 3.76Å; L82-V179 HydrophobicContact CD1-CB 4.3Å; L82-V179 HydrophobicContact CD1-CG1 3.95Å; L82-V179 HydrophobicContact CD1-CG2 4.21Å; L82-V179 HydrophobicContact CD2-CG1 3.7Å; L82-V179 HydrophobicContact CG-CG1 4.49Å; L82-L187 HydrophobicContact CB-CD1 4.44Å
83	R	93.5	Very high	94.3	Very high	183 Å²	183	60.1 Å²	60.1	69%	0.691	33%	0.327	S	S	*	.	H	α-helix	trans	-69.5	-39.9	177.3	-176.3	-177.2	-179.9	-147.5	-1.2	112	P79 Q80 G81	P79-R83 PolarHBondContact O-N 3.37Å; Q80-R83 WeakPolarHBondContact O-CB 3.37Å; Q80-R83 PolarHBondContact O-N 3.42Å; Q80-R83 VanDerWaalsContact O-N 3.14Å; G81-R83 VanDerWaalsContact C-N 3.35Å; G81-R83 PolarHBondContact O-N 3.13Å
84	D	93.2	Very high	94.3	Very high	112 Å²	112	54.1 Å²	54.1	60%	0.599	29%	0.285	S	S	*	.	H	α-helix	trans	-73.7	-49.7	-176.7	-67.5	-23.1	0	0	0	111.2	Q80 G81	Q80-D84 VanDerWaalsContact NE2-CG 3.25Å; Q80-D84 PolarHBondContact NE2-OD1 3.22Å; Q80-D84 PolarHBondContact NE2-OD2 2.84Å; Q80-D84 VanDerWaalsContact O-CG 3.31Å; Q80-D84 PolarHBondContact O-N 2.85Å; G81-D84 PolarHBondContact O-N 3.08Å
85	N	91.2	Very high	94.2	Very high	44 Å²	44	52.9 Å²	52.9	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-162.8	98.2	172.7	-174.6	-6.6	0	0	0	111.8	G81 Q87 F88	G81-N85 CarbonylContact O-C 3.29Å; G81-N85 PolarHBondContact O-N 3.13Å; N85-Q87 PolarHBondContact O-N 3.09Å; N85-Q87 VanDerWaalsContact O-N 3.14Å; N85-Q87 VanDerWaalsContact OD1-CB 3.28Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.36Å; N85-Q87 WeakPolarHBondContact OD1-CG 3.4Å; N85-Q87 PolarHBondContact OD1-N 2.91Å; N85-F88 HydrophobicContact CB-CD2 4.24Å; N85-F88 HydrophobicContact CB-CE2 4.38Å; N85-F88 WeakPolarHBondContact ND2-CE2 3.44Å
86	S	93.1	Very high	94.2	Very high	19 Å²	19	52 Å²	52	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-17.1	-180	66.3	0	0	0	0	114.8	L82 F88 C89 L90	L82-S86 PolarHBondContact O-N 3.3Å; S86-F88 VanDerWaalsContact C-N 3.33Å; S86-F88 PolarHBondContact O-N 3.21Å; S86-C89 PolarHBondContact O-N 3.36Å; S86-L90 VanDerWaalsContact O-CG 3.23Å; S86-L90 WeakPolarHBondContact O-CG 3.48Å; S86-L90 PolarHBondContact O-N 3.44Å
87	Q	90.9	Very high	94.1	Very high	37 Å²	37	51.3 Å²	51.3	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-37.4	-172	-65.4	-63.8	-33.1	0	0	112.9	N85 L90 Q91	N85-Q87 PolarHBondContact O-N 3.09Å; N85-Q87 VanDerWaalsContact O-N 3.14Å; N85-Q87 VanDerWaalsContact OD1-CB 3.28Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.36Å; N85-Q87 WeakPolarHBondContact OD1-CG 3.4Å; N85-Q87 PolarHBondContact OD1-N 2.91Å; Q87-L90 PolarHBondContact O-N 3.28Å; Q87-Q91 WeakPolarHBondContact O-CB 3.44Å; Q87-Q91 PolarHBondContact O-N 3.04Å
88	F	90.8	Very high	93.9	Very high	115 Å²	115	51.8 Å²	51.8	50%	0.504	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-48.1	176.8	-67.4	-74.7	0	0	0	111.4	N85 S86 Q91 R92	N85-F88 HydrophobicContact CB-CD2 4.24Å; N85-F88 HydrophobicContact CB-CE2 4.38Å; N85-F88 WeakPolarHBondContact ND2-CE2 3.44Å; S86-F88 VanDerWaalsContact C-N 3.33Å; S86-F88 PolarHBondContact O-N 3.21Å; F88-Q91 PolarHBondContact O-N 3.32Å; F88-R92 WeakPolarHBondContact O-CG 3.27Å; F88-R92 PolarHBondContact O-N 3.21Å; F88-R92 VanDerWaalsContact O-N 3.09Å
89	C	95.4	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-45.7	177.8	178.2	0	0	0	0	112	D75 G76 C77 L82 S86 Q91 R92 I93	D75-C89 WeakPolarHBondContact O-CA 3.46Å; D75-C89 PolarHBondContact O-N 2.63Å; G76-C89 WeakPolarHBondContact O-CB 3.47Å; C77-C89 WeakPolarHBondContact CA-SG 3.29Å; C77-C89 HydrophobicContact CB-CB 3.98Å; C77-C89 WeakPolarHBondContact CB-SG 3.26Å; C77-C89 WeakPolarHBondContact SG-CA 3.43Å; C77-C89 WeakPolarHBondContact SG-CB 3.3Å; C77-C89 CovalentContact SG-SG 2.03Å; C77-C89 PolarHBondContact SG-SG 2.9Å; L82-C89 HydrophobicContact CD2-CB 3.76Å; S86-C89 PolarHBondContact O-N 3.36Å; C89-Q91 VanDerWaalsContact C-N 3.26Å; C89-Q91 PolarHBondContact O-N 3.34Å; C89-R92 WeakPolarHBondContact O-CB 3.35Å; C89-R92 PolarHBondContact O-N 3.31Å; C89-R92 VanDerWaalsContact O-N 3.13Å; C89-I93 WeakPolarHBondContact O-CG1 3.1Å; C89-I93 PolarHBondContact O-N 3.04Å
90	L	94.4	Very high	93.6	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-36.2	179.4	-64.9	172.3	0	0	0	111.6	P28 W30 S86 Q87 I93 R94 L135 F180	P28-L90 HydrophobicContact CG-CD1 3.7Å; P28-L90 HydrophobicContact CG-CD2 4.33Å; W30-L90 HydrophobicContact CH2-CD1 4.25Å; W30-L90 HydrophobicContact CH2-CD2 4.03Å; W30-L90 HydrophobicContact CH2-CG 4.48Å; W30-L90 HydrophobicContact CZ3-CD2 4.14Å; S86-L90 VanDerWaalsContact O-CG 3.23Å; S86-L90 WeakPolarHBondContact O-CG 3.48Å; S86-L90 PolarHBondContact O-N 3.44Å; Q87-L90 PolarHBondContact O-N 3.28Å; L90-I93 PolarHBondContact O-N 2.92Å; L90-R94 WeakPolarHBondContact O-CB 3.49Å; L90-R94 PolarHBondContact O-N 2.7Å; L90-L135 HydrophobicContact CD2-CD2 4.09Å; L90-F180 HydrophobicContact CD2-CE1 3.61Å; L90-F180 HydrophobicContact CD2-CZ 4.22Å
91	Q	91.5	Very high	93.5	Very high	103 Å²	103	43.3 Å²	43.3	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-45.1	173.3	-172.8	178.3	-2.8	0	0	112.2	Q87 F88 C89 R94 Q95 W142	Q87-Q91 WeakPolarHBondContact O-CB 3.44Å; Q87-Q91 PolarHBondContact O-N 3.04Å; F88-Q91 PolarHBondContact O-N 3.32Å; C89-Q91 VanDerWaalsContact C-N 3.26Å; C89-Q91 PolarHBondContact O-N 3.34Å; Q91-R94 PolarHBondContact O-N 3.24Å; Q91-Q95 PolarHBondContact O-N 3.47Å; Q91-W142 HydrophobicContact CB-CE3 4.5Å; Q91-W142 HydrophobicContact CB-CH2 4.08Å; Q91-W142 HydrophobicContact CB-CZ3 3.93Å; Q91-W142 HydrophobicContact CG-CE3 4.03Å; Q91-W142 HydrophobicContact CG-CH2 4.45Å; Q91-W142 HydrophobicContact CG-CZ3 3.95Å
92	R	94	Very high	93.3	Very high	109 Å²	109	45.7 Å²	45.7	41%	0.411	21%	0.205	S	C	.	.	H	α-helix	trans	-64.3	-42.8	176.5	-69.9	-65.6	-165.2	-160.9	2.8	112.8	D75 F88 C89 Q95 G96	D75-R92 HydrophobicContact CB-CG 3.95Å; D75-R92 IonicContact OD1-CZ 3.55Å; D75-R92 IonicContact OD1-NE 3.47Å; D75-R92 PolarHBondContact OD1-NE 3.32Å; D75-R92 IonicContact OD1-NH2 3.7Å; D75-R92 IonicContact OD2-NE 3.29Å; F88-R92 WeakPolarHBondContact O-CG 3.27Å; F88-R92 PolarHBondContact O-N 3.21Å; F88-R92 VanDerWaalsContact O-N 3.09Å; C89-R92 WeakPolarHBondContact O-CB 3.35Å; C89-R92 PolarHBondContact O-N 3.31Å; C89-R92 VanDerWaalsContact O-N 3.13Å; R92-Q95 VanDerWaalsContact NH1-OE1 3.08Å; R92-Q95 PolarHBondContact O-N 2.82Å; R92-G96 PolarHBondContact O-N 3.27Å
93	I	95.9	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-46.9	174.5	-68.5	169.7	0	0	0	110	I71 C89 L90 Q95 G96 L97 L135 F172 A176 V179 F180	I71-I93 HydrophobicContact CD1-CG1 3.86Å; C89-I93 WeakPolarHBondContact O-CG1 3.1Å; C89-I93 PolarHBondContact O-N 3.04Å; L90-I93 PolarHBondContact O-N 2.92Å; I93-Q95 VanDerWaalsContact C-N 3.33Å; I93-Q95 PolarHBondContact O-N 3.3Å; I93-G96 PolarHBondContact O-N 3.27Å; I93-L97 HydrophobicContact CG2-CD1 3.83Å; I93-L97 HydrophobicContact CG2-CG 4.21Å; I93-L97 VanDerWaalsContact O-CG 3.27Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.02Å; I93-L135 HydrophobicContact CB-CD1 4.46Å; I93-L135 HydrophobicContact CG2-CD1 3.82Å; I93-F172 HydrophobicContact CG2-CZ 4.4Å; I93-F172 WeakPolarHBondContact O-CZ 3.42Å; I93-A176 HydrophobicContact CD1-CB 4.26Å; I93-A176 HydrophobicContact CG1-CB 4.37Å; I93-A176 HydrophobicContact CG2-CB 4.05Å; I93-V179 HydrophobicContact CD1-CB 3.97Å; I93-V179 HydrophobicContact CD1-CG1 3.74Å; I93-V179 HydrophobicContact CD1-CG2 4.16Å; I93-F180 HydrophobicContact CD1-CE2 4.35Å; I93-F180 HydrophobicContact CD1-CZ 4.16Å; I93-F180 HydrophobicContact CG2-CE2 4.05Å; I93-F180 HydrophobicContact CG2-CZ 3.98Å
94	R	93.5	Very high	93.1	Very high	14 Å²	14	38 Å²	38	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.3	-176.5	168.5	167.2	-130.4	-6.7	112.2	L90 Q91 G96 L97 I98 L135 W142	L90-R94 WeakPolarHBondContact O-CB 3.49Å; L90-R94 PolarHBondContact O-N 2.7Å; Q91-R94 PolarHBondContact O-N 3.24Å; R94-G96 PolarHBondContact O-N 3.48Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-I98 HydrophobicContact CG-CD1 3.87Å; R94-I98 HydrophobicContact CG-CG1 4.44Å; R94-I98 WeakPolarHBondContact O-CG1 3.25Å; R94-I98 PolarHBondContact O-N 3.04Å; R94-L135 HydrophobicContact CB-CB 4.31Å; R94-L135 HydrophobicContact CB-CD1 4.27Å; R94-W142 HydrophobicContact CB-CE3 4.46Å; R94-W142 HydrophobicContact CB-CZ3 3.86Å; R94-W142 HydrophobicContact CG-CE3 4.42Å; R94-W142 HydrophobicContact CG-CZ3 4.2Å; R94-W142 VanDerWaalsContact NH1-CB 3.32Å
95	Q	91.9	Very high	93	Very high	50 Å²	50	34.6 Å²	34.6	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-48.2	176.1	-176.2	-180	9.8	0	0	111.5	Q91 R92 I93 I98 F99 Q145	Q91-Q95 PolarHBondContact O-N 3.47Å; R92-Q95 VanDerWaalsContact NH1-OE1 3.08Å; R92-Q95 PolarHBondContact O-N 2.82Å; I93-Q95 VanDerWaalsContact C-N 3.33Å; I93-Q95 PolarHBondContact O-N 3.3Å; Q95-I98 PolarHBondContact O-N 3.3Å; Q95-F99 WeakPolarHBondContact O-CB 3.48Å; Q95-F99 PolarHBondContact O-N 2.95Å; Q95-Q145 VanDerWaalsContact NE2-OE1 3.13Å
96	G	94.5	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-40.6	176.9	0	0	0	0	0	113	R92 I93 R94 I98 F99 Y100	R92-G96 PolarHBondContact O-N 3.27Å; I93-G96 PolarHBondContact O-N 3.27Å; R94-G96 PolarHBondContact O-N 3.48Å; G96-I98 PolarHBondContact O-N 2.92Å; G96-F99 WeakPolarHBondContact O-CB 3.4Å; G96-F99 PolarHBondContact O-N 3.49Å; G96-Y100 WeakPolarHBondContact O-CD2 3.4Å; G96-Y100 PolarHBondContact O-N 3.5Å
97	L	95.4	Very high	92.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177.1	-69.9	169.6	0	0	0	112.1	L40 I93 R94 F99 Y100 E101 L128 L131 L135 F172	L40-L97 HydrophobicContact CD1-CD2 4.2Å; I93-L97 HydrophobicContact CG2-CD1 3.83Å; I93-L97 HydrophobicContact CG2-CG 4.21Å; I93-L97 VanDerWaalsContact O-CG 3.27Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.02Å; R94-L97 PolarHBondContact O-N 3.46Å; L97-F99 VanDerWaalsContact C-N 3.32Å; L97-F99 PolarHBondContact O-N 3.08Å; L97-Y100 PolarHBondContact O-N 3.24Å; L97-E101 VanDerWaalsContact O-CB 3.27Å; L97-E101 WeakPolarHBondContact O-CB 3.06Å; L97-E101 PolarHBondContact O-N 3.36Å; L97-L128 HydrophobicContact CD2-CD2 3.5Å; L97-L128 VanDerWaalsContact CD2-CD2 3.5Å; L97-L131 HydrophobicContact CD1-CB 4.17Å; L97-L131 HydrophobicContact CD1-CD2 3.84Å; L97-L131 HydrophobicContact CD1-CG 3.69Å; L97-L131 HydrophobicContact CD2-CD2 4.05Å; L97-L135 HydrophobicContact CD1-CD1 3.73Å; L97-F172 HydrophobicContact CD2-CE1 3.95Å; L97-F172 HydrophobicContact CG-CE1 4.11Å; L97-F172 HydrophobicContact CG-CZ 4.38Å
98	I	92.6	Very high	92.9	Very high	27 Å²	27	32.8 Å²	32.8	14%	0.138	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-38.2	177.7	-64.5	167.7	0	0	0	110.7	R94 Q95 G96 K102 I147	R94-I98 HydrophobicContact CG-CD1 3.87Å; R94-I98 HydrophobicContact CG-CG1 4.44Å; R94-I98 WeakPolarHBondContact O-CG1 3.25Å; R94-I98 PolarHBondContact O-N 3.04Å; Q95-I98 PolarHBondContact O-N 3.3Å; G96-I98 PolarHBondContact O-N 2.92Å; I98-K102 HydrophobicContact CG2-CD 4.46Å; I98-K102 WeakPolarHBondContact O-CG 3.46Å; I98-K102 PolarHBondContact O-N 3.23Å; I98-K102 VanDerWaalsContact O-N 3.08Å; I98-I147 HydrophobicContact CB-CD1 4.45Å; I98-I147 HydrophobicContact CG2-CD1 4.12Å
99	F	92.7	Very high	92.9	Very high	28 Å²	28	27.6 Å²	27.6	12%	0.123	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-52.5	175.8	179.1	-93.1	0	0	0	111.9	V68 P69 Q95 G96 L97 E101 K102 L103 I147	V68-F99 HydrophobicContact CB-CE1 4.42Å; V68-F99 HydrophobicContact CB-CZ 4.45Å; V68-F99 HydrophobicContact CG1-CE1 3.97Å; V68-F99 HydrophobicContact CG1-CZ 4.48Å; V68-F99 HydrophobicContact CG2-CE1 4.34Å; V68-F99 HydrophobicContact CG2-CZ 4.2Å; P69-F99 VanDerWaalsContact CD-CD1 3.41Å; P69-F99 VanDerWaalsContact CD-CG 3.41Å; P69-F99 HydrophobicContact CG-CB 3.57Å; P69-F99 HydrophobicContact CG-CD1 3.68Å; P69-F99 HydrophobicContact CG-CD2 3.88Å; P69-F99 HydrophobicContact CG-CE1 4.3Å; P69-F99 HydrophobicContact CG-CG 3.43Å; P69-F99 VanDerWaalsContact CG-CG 3.43Å; Q95-F99 WeakPolarHBondContact O-CB 3.48Å; Q95-F99 PolarHBondContact O-N 2.95Å; G96-F99 WeakPolarHBondContact O-CB 3.4Å; G96-F99 PolarHBondContact O-N 3.49Å; L97-F99 VanDerWaalsContact C-N 3.32Å; L97-F99 PolarHBondContact O-N 3.08Å; F99-E101 PolarHBondContact O-N 2.65Å; F99-K102 PolarHBondContact O-N 2.8Å; F99-L103 HydrophobicContact CD1-CD1 3.83Å; F99-L103 HydrophobicContact CD1-CG 4.33Å; F99-L103 HydrophobicContact CE1-CD1 3.19Å; F99-L103 HydrophobicContact CE1-CG 3.96Å; F99-L103 HydrophobicContact CZ-CD1 3.73Å; F99-L103 HydrophobicContact CZ-CG 4.23Å; F99-L103 PolarHBondContact O-N 3.19Å; F99-I147 HydrophobicContact CB-CD1 3.83Å; F99-I147 HydrophobicContact CD2-CD1 4.34Å; F99-I147 HydrophobicContact CD2-CG2 3.56Å; F99-I147 HydrophobicContact CE2-CG2 4.15Å
100	Y	94.6	Very high	92.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-33.1	-179	-75.7	-70.9	0	0	0	112.6	V68 G96 L97 L103 L104 I165 S168 L169 F172	V68-Y100 WeakPolarHBondContact CG1-OH 3.25Å; G96-Y100 WeakPolarHBondContact O-CD2 3.4Å; G96-Y100 PolarHBondContact O-N 3.5Å; L97-Y100 PolarHBondContact O-N 3.24Å; Y100-L103 HydrophobicContact CD1-CD1 4.26Å; Y100-L103 PolarHBondContact O-N 3.27Å; Y100-L104 WeakPolarHBondContact O-CB 3.37Å; Y100-L104 VanDerWaalsContact O-CD1 3.28Å; Y100-L104 WeakPolarHBondContact O-CD1 3.41Å; Y100-L104 PolarHBondContact O-N 2.93Å; Y100-I165 HydrophobicContact CD1-CG2 4.12Å; Y100-I165 HydrophobicContact CE1-CG2 4.25Å; Y100-S168 WeakPolarHBondContact OH-CB 3.44Å; Y100-S168 PolarHBondContact OH-OG 3.32Å; Y100-L169 HydrophobicContact CD1-CB 3.91Å; Y100-L169 HydrophobicContact CD1-CD1 3.97Å; Y100-L169 HydrophobicContact CD1-CG 4.36Å; Y100-L169 HydrophobicContact CD2-CD1 3.62Å; Y100-L169 HydrophobicContact CE1-CB 3.79Å; Y100-L169 HydrophobicContact CE1-CD1 4.39Å; Y100-L169 HydrophobicContact CE2-CD1 4.1Å; Y100-L169 HydrophobicContact CG-CB 4.4Å; Y100-L169 HydrophobicContact CG-CD1 3.57Å; Y100-L169 HydrophobicContact CG-CG 4.42Å; Y100-F172 HydrophobicContact CD2-CD1 4.06Å; Y100-F172 HydrophobicContact CD2-CE1 4.46Å; Y100-F172 HydrophobicContact CD2-CG 4.33Å; Y100-F172 HydrophobicContact CE2-CB 3.9Å; Y100-F172 AromaticContact CE2-CD1 3.98Å; Y100-F172 HydrophobicContact CE2-CD1 3.98Å; Y100-F172 HydrophobicContact CE2-CD2 4.31Å; Y100-F172 AromaticContact CE2-CG 3.79Å; Y100-F172 HydrophobicContact CE2-CG 3.79Å
101	E	93.6	Very high	92.2	Very high	43 Å²	43	32.4 Å²	32.4	20%	0.201	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-53	172	179	-90.8	168.4	0	0	110.7	L97 F99 L103 L104 G105 H125 L128 L129	L97-E101 VanDerWaalsContact O-CB 3.27Å; L97-E101 WeakPolarHBondContact O-CB 3.06Å; L97-E101 PolarHBondContact O-N 3.36Å; F99-E101 PolarHBondContact O-N 2.65Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.28Å; E101-L104 PolarHBondContact O-N 3.2Å; E101-L104 VanDerWaalsContact O-N 3.16Å; E101-G105 PolarHBondContact O-N 2.99Å; E101-H125 PolarHBondContact O-CD2 3.47Å; E101-H125 VanDerWaalsContact O-CD2 3.23Å; E101-H125 PolarHBondContact O-NE2 2.74Å; E101-H125 IonicContact OE1-NE2 3.13Å; E101-L128 HydrophobicContact CB-CB 4.37Å; E101-L129 HydrophobicContact CG-CB 4.43Å
102	K	92	Very high	91.9	Very high	63 Å²	63	33.8 Å²	33.8	27%	0.274	18%	0.177	S	C	.	.	H	α-helix	trans	-57.7	-40.9	174.5	-72.7	178.3	171.6	-175.1	0	113.5	I98 F99 G105 S106 I147	I98-K102 HydrophobicContact CG2-CD 4.46Å; I98-K102 WeakPolarHBondContact O-CG 3.46Å; I98-K102 PolarHBondContact O-N 3.23Å; I98-K102 VanDerWaalsContact O-N 3.08Å; F99-K102 PolarHBondContact O-N 2.8Å; K102-G105 PolarHBondContact O-N 3.41Å; K102-S106 PolarHBondContact O-N 3.13Å; K102-I147 HydrophobicContact CD-CB 4.08Å; K102-I147 HydrophobicContact CD-CG2 4.27Å; K102-I147 PolarHBondContact NZ-O 2.9Å
103	L	91.8	Very high	91.3	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.099	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-44.8	176.4	-78.2	-175.8	0	0	0	111.9	F99 Y100 E101 G105 S106 I108 F109 P150 I165	F99-L103 HydrophobicContact CD1-CD1 3.83Å; F99-L103 HydrophobicContact CD1-CG 4.33Å; F99-L103 HydrophobicContact CE1-CD1 3.19Å; F99-L103 HydrophobicContact CE1-CG 3.96Å; F99-L103 HydrophobicContact CZ-CD1 3.73Å; F99-L103 HydrophobicContact CZ-CG 4.23Å; F99-L103 PolarHBondContact O-N 3.19Å; Y100-L103 HydrophobicContact CD1-CD1 4.26Å; Y100-L103 PolarHBondContact O-N 3.27Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.28Å; L103-G105 PolarHBondContact O-N 3.29Å; L103-S106 WeakPolarHBondContact O-CB 3.37Å; L103-S106 PolarHBondContact O-N 3.18Å; L103-S106 VanDerWaalsContact O-N 3.14Å; L103-S106 PolarHBondContact O-OG 3.41Å; L103-I108 HydrophobicContact CD2-CD1 4.47Å; L103-F109 WeakPolarHBondContact O-CD2 3.43Å; L103-P150 HydrophobicContact CD2-CB 4.02Å; L103-P150 HydrophobicContact CD2-CG 4.03Å; L103-I165 HydrophobicContact CD1-CD1 4.16Å; L103-I165 HydrophobicContact CD1-CG1 4.14Å; L103-I165 HydrophobicContact CD1-CG2 4.05Å
104	L	92.2	Very high	90.6	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-24.4	178.7	-92.5	66.9	0	0	0	112.4	Y100 E101 F109 V121 L124 H125 L128 I165 L169	Y100-L104 WeakPolarHBondContact O-CB 3.37Å; Y100-L104 VanDerWaalsContact O-CD1 3.28Å; Y100-L104 WeakPolarHBondContact O-CD1 3.41Å; Y100-L104 PolarHBondContact O-N 2.93Å; E101-L104 PolarHBondContact O-N 3.2Å; E101-L104 VanDerWaalsContact O-N 3.16Å; L104-F109 HydrophobicContact CD1-CE2 3.96Å; L104-F109 HydrophobicContact CD1-CZ 4.03Å; L104-F109 HydrophobicContact CG-CD2 4.38Å; L104-F109 HydrophobicContact CG-CE2 4.26Å; L104-F109 HydrophobicContact CG-CZ 4.32Å; L104-F109 WeakPolarHBondContact O-CB 3.36Å; L104-V121 HydrophobicContact CD2-CG1 4.3Å; L104-V121 HydrophobicContact CG-CG1 4.37Å; L104-L124 HydrophobicContact CD2-CB 4.23Å; L104-L124 HydrophobicContact CD2-CD2 3.9Å; L104-L124 HydrophobicContact CD2-CG 3.79Å; L104-H125 HydrophobicContact CB-CB 4.22Å; L104-H125 HydrophobicContact CD2-CB 4.22Å; L104-L128 HydrophobicContact CD2-CD1 3.98Å; L104-I165 HydrophobicContact CD1-CG2 4.18Å; L104-L169 HydrophobicContact CD1-CD2 4.44Å
105	G	90.7	Very high	90	Very high	42 Å²	42	39.2 Å²	39.2	43%	0.433	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.5	171.7	0	0	0	0	0	115.2	E101 K102 L103	E101-G105 PolarHBondContact O-N 2.99Å; K102-G105 PolarHBondContact O-N 3.41Å; L103-G105 PolarHBondContact O-N 3.29Å
106	S	90.9	Very high	89.5	Confident	14 Å²	14	43.2 Å²	43.2	10%	0.098	25%	0.248	C	C	.	.	S	Bend	trans	-80.6	175.2	-176.1	73.9	0	0	0	0	113.9	K102 L103 I108 F109 T110 P150	K102-S106 PolarHBondContact O-N 3.13Å; L103-S106 WeakPolarHBondContact O-CB 3.37Å; L103-S106 PolarHBondContact O-N 3.18Å; L103-S106 VanDerWaalsContact O-N 3.14Å; L103-S106 PolarHBondContact O-OG 3.41Å; S106-I108 PolarHBondContact O-N 3.37Å; S106-I108 VanDerWaalsContact O-N 3.14Å; S106-I108 WeakPolarHBondContact OG-CB 3.49Å; S106-I108 PolarHBondContact OG-N 3.34Å; S106-F109 PolarHBondContact O-N 3.48Å; S106-F109 VanDerWaalsContact O-N 3.15Å; S106-T110 PolarHBondContact O-N 3.24Å; S106-T110 PolarHBondContact O-OG1 2.95Å; S106-P150 VanDerWaalsContact CB-CG 3.45Å
107	D	91.2	Very high	88.5	Confident	39 Å²	39	48.2 Å²	48.2	21%	0.209	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-20.5	174.1	72.2	-58.2	0	0	0	112.5	F109 T110 G111 S153 R158	D107-F109 VanDerWaalsContact C-N 3.27Å; D107-F109 PolarHBondContact O-N 3.36Å; D107-T110 WeakPolarHBondContact CA-OG1 3.27Å; D107-G111 VanDerWaalsContact O-CA 3.25Å; D107-G111 WeakPolarHBondContact O-CA 3.35Å; D107-G111 PolarHBondContact O-N 2.84Å; D107-S153 PolarHBondContact OD2-N 2.87Å; D107-S153 PolarHBondContact OD2-OG 2.94Å; D107-R158 IonicContact OD2-NE 2.75Å; D107-R158 IonicContact OD2-NH2 3.59Å
108	I	91.1	Very high	87.8	Confident	9 Å²	9	55 Å²	55	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-56.4	-44.7	174.7	-61.4	172.9	0	0	0	110.2	L103 S106 L161 R162 I165	L103-I108 HydrophobicContact CD2-CD1 4.47Å; S106-I108 PolarHBondContact O-N 3.37Å; S106-I108 VanDerWaalsContact O-N 3.14Å; S106-I108 WeakPolarHBondContact OG-CB 3.49Å; S106-I108 PolarHBondContact OG-N 3.34Å; I108-L161 HydrophobicContact CD1-CD1 4.34Å; I108-L161 HydrophobicContact CG1-CD1 4.46Å; I108-L161 HydrophobicContact CG2-CB 4.02Å; I108-R162 HydrophobicContact CG2-CG 3.9Å; I108-R162 PolarHBondContact O-NE 3.04Å; I108-R162 PolarHBondContact O-NH2 3.05Å; I108-I165 HydrophobicContact CD1-CD1 3.85Å; I108-I165 HydrophobicContact CG2-CD1 4.11Å
109	F	90.6	Very high	87.5	Confident	6 Å²	6	54.8 Å²	54.8	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-103.7	-23.9	-177.2	-71.2	-92.7	0	0	0	113.8	L103 L104 S106 D107 L115 V121 R162 I165 L166	L103-F109 WeakPolarHBondContact O-CD2 3.43Å; L104-F109 HydrophobicContact CD1-CE2 3.96Å; L104-F109 HydrophobicContact CD1-CZ 4.03Å; L104-F109 HydrophobicContact CG-CD2 4.38Å; L104-F109 HydrophobicContact CG-CE2 4.26Å; L104-F109 HydrophobicContact CG-CZ 4.32Å; L104-F109 WeakPolarHBondContact O-CB 3.36Å; S106-F109 PolarHBondContact O-N 3.48Å; S106-F109 VanDerWaalsContact O-N 3.15Å; D107-F109 VanDerWaalsContact C-N 3.27Å; D107-F109 PolarHBondContact O-N 3.36Å; F109-L115 HydrophobicContact CB-CD1 4.47Å; F109-L115 HydrophobicContact CD1-CD1 3.97Å; F109-V121 HydrophobicContact CD1-CG1 3.63Å; F109-V121 HydrophobicContact CE1-CG1 4.14Å; F109-V121 HydrophobicContact CG-CG1 4.34Å; F109-R162 HydrophobicContact CD1-CG 3.85Å; F109-R162 HydrophobicContact CE1-CB 3.97Å; F109-R162 HydrophobicContact CE1-CG 3.7Å; F109-R162 HydrophobicContact CE2-CG 4.38Å; F109-R162 HydrophobicContact CG-CG 4.31Å; F109-R162 HydrophobicContact CZ-CB 4.14Å; F109-R162 HydrophobicContact CZ-CG 3.98Å; F109-I165 HydrophobicContact CE2-CB 4.4Å; F109-I165 HydrophobicContact CE2-CD1 4.09Å; F109-I165 HydrophobicContact CE2-CG2 4.02Å; F109-I165 HydrophobicContact CZ-CB 4.28Å; F109-I165 HydrophobicContact CZ-CG2 4.01Å; F109-L166 HydrophobicContact CE1-CD1 4.31Å; F109-L166 HydrophobicContact CE1-CD2 4.31Å; F109-L166 HydrophobicContact CE1-CG 4.17Å; F109-L166 HydrophobicContact CZ-CD2 4.41Å; F109-L166 HydrophobicContact CZ-CG 4.2Å
110	T	90.3	Very high	87.3	Confident	89 Å²	89	56 Å²	56	55%	0.546	33%	0.329	S	S	.	.	H	α-helix	trans	-93.2	-23.8	179.8	60.7	0	0	0	0	113.6	S106 D107	S106-T110 PolarHBondContact O-N 3.24Å; S106-T110 PolarHBondContact O-OG1 2.95Å; D107-T110 WeakPolarHBondContact CA-OG1 3.27Å
111	G	86.1	Confident	87.2	Confident	16 Å²	16	56.7 Å²	56.7	17%	0.165	33%	0.333	C	S	.	.	S	Bend	trans	-79.7	172.7	176.3	0	0	0	0	0	113.4	D107 P113 R162	D107-G111 VanDerWaalsContact O-CA 3.25Å; D107-G111 WeakPolarHBondContact O-CA 3.35Å; D107-G111 PolarHBondContact O-N 2.84Å; G111-P113 CarbonylContact O-C 3.59Å; G111-P113 VanDerWaalsContact O-C 3.24Å; G111-P113 VanDerWaalsContact O-O 3.14Å; G111-R162 PolarHBondContact O-NH2 3.45Å
112	E	83.3	Confident	87.1	Confident	133 Å²	133	55.9 Å²	55.9	62%	0.621	34%	0.336	S	S	*	.	S	Bend	trans	-60.3	136.9	179.4	-68.1	-175.1	164.8	0	0	112.7	R158	E112-R158 VanDerWaalsContact N-NH1 3.16Å; E112-R158 VanDerWaalsContact O-CD 3.27Å; E112-R158 WeakPolarHBondContact O-CD 3.47Å; E112-R158 PolarHBondContact O-NH1 3.35Å
113	P	82.1	Confident	87.2	Confident	77 Å²	77	57.3 Å²	57.3	50%	0.5	34%	0.344	S	S	.	.	S	Bend	cis	-70.4	124.2	-5.2	-15.8	30.2	0	0	0	111.7	G111 R162	G111-P113 CarbonylContact O-C 3.59Å; G111-P113 VanDerWaalsContact O-C 3.24Å; G111-P113 VanDerWaalsContact O-O 3.14Å; P113-R162 VanDerWaalsContact O-CZ 3.29Å; P113-R162 PolarHBondContact O-NH1 3.33Å; P113-R162 PolarHBondContact O-NH2 3.25Å
114	S	81.8	Confident	87.3	Confident	88 Å²	88	56.4 Å²	56.4	62%	0.615	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-68.9	138.5	-171.1	-50	0	0	0	0	112
115	L	81.3	Confident	87.5	Confident	72 Å²	72	58.6 Å²	58.6	38%	0.377	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-96.2	143	172.4	-60.6	176.8	0	0	0	109.6	F109 V121	F109-L115 HydrophobicContact CB-CD1 4.47Å; F109-L115 HydrophobicContact CD1-CD1 3.97Å; L115-V121 HydrophobicContact CD1-CB 4.17Å; L115-V121 HydrophobicContact CD1-CG1 4.16Å; L115-V121 HydrophobicContact CD1-CG2 4.01Å
116	L	80.9	Confident	87.7	Confident	134 Å²	134	59.4 Å²	59.4	70%	0.702	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-68.1	143.5	173.6	-66.2	173.4	0	0	0	110.1	D118 S119	L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 2.87Å; L116-S119 WeakPolarHBondContact O-CB 3.39Å; L116-S119 PolarHBondContact O-N 2.94Å; L116-S119 PolarHBondContact O-OG 3.13Å
117	P	73.2	Confident	87.9	Confident	104 Å²	104	59.1 Å²	59.1	68%	0.675	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.5	-180	22.6	-31.8	0	0	0	113.1	S119 G122	P117-S119 PolarHBondContact O-N 3.49Å; P117-G122 WeakPolarHBondContact O-CA 3Å
118	D	80.5	Confident	88.2	Confident	142 Å²	142	57.2 Å²	57.2	76%	0.759	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	5.9	176.6	-62.2	-43.4	0	0	0	113.9	L116 Q123	L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 2.87Å; D118-Q123 PolarHBondContact O-NE2 3.24Å
119	S	86.6	Confident	88.3	Confident	23 Å²	23	60 Å²	60	16%	0.161	35%	0.354	C	S	.	.	S	Bend	trans	-63.9	162.1	176.5	68.5	0	0	0	0	112	L116 P117 V121 G122 Q123	L116-S119 WeakPolarHBondContact O-CB 3.39Å; L116-S119 PolarHBondContact O-N 2.94Å; L116-S119 PolarHBondContact O-OG 3.13Å; P117-S119 PolarHBondContact O-N 3.49Å; S119-V121 PolarHBondContact O-N 3.25Å; S119-V121 VanDerWaalsContact O-N 3.09Å; S119-G122 PolarHBondContact O-N 3.13Å; S119-G122 PolarHBondContact OG-N 3.41Å; S119-Q123 PolarHBondContact O-N 2.95Å; S119-Q123 VanDerWaalsContact O-N 3.13Å
120	P	89.4	Confident	88.5	Confident	55 Å²	55	60.7 Å²	60.7	36%	0.357	36%	0.363	S	S	.	.	H	α-helix	trans	-52.5	-31.4	172.6	-28.7	36.2	0	0	0	113.6	A47 L124	A47-P120 HydrophobicContact CB-CB 3.87Å; P120-L124 VanDerWaalsContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.44Å; P120-L124 PolarHBondContact O-N 2.93Å
121	V	91.6	Very high	88.8	Confident	16 Å²	16	56.5 Å²	56.5	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-67.7	-40.6	175.6	176.2	0	0	0	0	111.7	A47 L104 F109 L115 S119 L124 H125	A47-V121 HydrophobicContact CB-CG2 3.9Å; L104-V121 HydrophobicContact CD2-CG1 4.3Å; L104-V121 HydrophobicContact CG-CG1 4.37Å; F109-V121 HydrophobicContact CD1-CG1 3.63Å; F109-V121 HydrophobicContact CE1-CG1 4.14Å; F109-V121 HydrophobicContact CG-CG1 4.34Å; L115-V121 HydrophobicContact CD1-CB 4.17Å; L115-V121 HydrophobicContact CD1-CG1 4.16Å; L115-V121 HydrophobicContact CD1-CG2 4.01Å; S119-V121 PolarHBondContact O-N 3.25Å; S119-V121 VanDerWaalsContact O-N 3.09Å; V121-L124 WeakPolarHBondContact O-CB 3.46Å; V121-L124 PolarHBondContact O-N 2.03Å; V121-H125 PolarHBondContact O-N 2.95Å
122	G	91.4	Very high	89.2	Confident	25 Å²	25	56.2 Å²	56.2	26%	0.258	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-41.4	176	0	0	0	0	0	112.3	P117 S119 L124 H125 A126	P117-G122 WeakPolarHBondContact O-CA 3Å; S119-G122 PolarHBondContact O-N 3.13Å; S119-G122 PolarHBondContact OG-N 3.41Å; G122-L124 VanDerWaalsContact C-N 3.32Å; G122-L124 PolarHBondContact O-N 3.18Å; G122-H125 PolarHBondContact O-N 3.47Å; G122-A126 PolarHBondContact O-N 3.06Å
123	Q	93.9	Very high	89.5	Confident	94 Å²	94	55.1 Å²	55.1	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-35.7	173.8	-63.4	-178.8	36.4	0	0	112.4	L43 D118 S119 S127	L43-Q123 HydrophobicContact CD1-CB 4.19Å; L43-Q123 HydrophobicContact CD2-CB 4.05Å; D118-Q123 PolarHBondContact O-NE2 3.24Å; S119-Q123 PolarHBondContact O-N 2.95Å; S119-Q123 VanDerWaalsContact O-N 3.13Å; Q123-S127 VanDerWaalsContact O-CB 3.29Å; Q123-S127 WeakPolarHBondContact O-CB 3.29Å; Q123-S127 PolarHBondContact O-N 3.02Å; Q123-S127 PolarHBondContact O-OG 2.91Å
124	L	95.3	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-48.7	174.6	-179.8	59.1	0	0	0	110.6	L40 L43 A44 A47 L104 P120 V121 G122 A126 S127 L128 L166 L169	L40-L124 HydrophobicContact CD2-CD1 3.63Å; L43-L124 HydrophobicContact CB-CB 4.22Å; L43-L124 HydrophobicContact CB-CD1 3.87Å; A44-L124 HydrophobicContact CB-CD1 4.38Å; A47-L124 HydrophobicContact CB-CD2 4.14Å; L104-L124 HydrophobicContact CD2-CB 4.23Å; L104-L124 HydrophobicContact CD2-CD2 3.9Å; L104-L124 HydrophobicContact CD2-CG 3.79Å; P120-L124 VanDerWaalsContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.44Å; P120-L124 PolarHBondContact O-N 2.93Å; V121-L124 WeakPolarHBondContact O-CB 3.46Å; V121-L124 PolarHBondContact O-N 2.03Å; G122-L124 VanDerWaalsContact C-N 3.32Å; G122-L124 PolarHBondContact O-N 3.18Å; L124-A126 PolarHBondContact O-N 3.35Å; L124-S127 PolarHBondContact O-N 2.95Å; L124-L128 WeakPolarHBondContact O-CG 3.45Å; L124-L128 PolarHBondContact O-N 3.09Å; L124-L166 HydrophobicContact CD2-CD2 3.79Å; L124-L169 HydrophobicContact CD1-CD2 4.25Å; L124-L169 HydrophobicContact CD2-CD2 3.76Å; L124-L169 HydrophobicContact CG-CD2 4.16Å
125	H	95.1	Very high	90.4	Very high	53 Å²	53	50.6 Å²	50.6	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-55.9	-50.5	175	-180	-95.2	0	0	0	112	E101 L104 V121 G122 S127 L128 L129	E101-H125 PolarHBondContact O-CD2 3.47Å; E101-H125 VanDerWaalsContact O-CD2 3.23Å; E101-H125 PolarHBondContact O-NE2 2.74Å; E101-H125 IonicContact OE1-NE2 3.13Å; L104-H125 HydrophobicContact CB-CB 4.22Å; L104-H125 HydrophobicContact CD2-CB 4.22Å; V121-H125 PolarHBondContact O-N 2.95Å; G122-H125 PolarHBondContact O-N 3.47Å; H125-S127 VanDerWaalsContact C-N 3.3Å; H125-S127 PolarHBondContact O-N 3.41Å; H125-L128 PolarHBondContact O-N 3.34Å; H125-L129 PolarHBondContact O-N 2.86Å; H125-L129 VanDerWaalsContact O-N 3.11Å
126	A	94.7	Very high	90.3	Very high	58 Å²	58	51.3 Å²	51.3	48%	0.479	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-37.1	177.5	0	0	0	0	0	112.8	G122 L124 G130	G122-A126 PolarHBondContact O-N 3.06Å; L124-A126 PolarHBondContact O-N 3.35Å; A126-G130 PolarHBondContact O-N 2.91Å
127	S	96.3	Very high	89.6	Confident	8 Å²	8	45.9 Å²	45.9	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-33.1	178.8	-58.5	0	0	0	0	112.4	L43 Q123 L124 H125 L131	L43-S127 WeakPolarHBondContact CD1-OG 3.48Å; Q123-S127 VanDerWaalsContact O-CB 3.29Å; Q123-S127 WeakPolarHBondContact O-CB 3.29Å; Q123-S127 PolarHBondContact O-N 3.02Å; Q123-S127 PolarHBondContact O-OG 2.91Å; L124-S127 PolarHBondContact O-N 2.95Å; H125-S127 VanDerWaalsContact C-N 3.3Å; H125-S127 PolarHBondContact O-N 3.41Å; S127-L131 PolarHBondContact O-N 3.23Å
128	L	96.3	Very high	88.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-46.5	173.7	-72.9	170.6	0	0	0	110.5	L40 L97 E101 L104 L124 H125 L131 S132 L169	L40-L128 HydrophobicContact CD1-CD2 4.02Å; L40-L128 HydrophobicContact CD2-CD2 3.78Å; L40-L128 HydrophobicContact CD2-CG 3.84Å; L97-L128 HydrophobicContact CD2-CD2 3.5Å; L97-L128 VanDerWaalsContact CD2-CD2 3.5Å; E101-L128 HydrophobicContact CB-CB 4.37Å; L104-L128 HydrophobicContact CD2-CD1 3.98Å; L124-L128 WeakPolarHBondContact O-CG 3.45Å; L124-L128 PolarHBondContact O-N 3.09Å; H125-L128 PolarHBondContact O-N 3.34Å; L128-L131 PolarHBondContact O-N 3.32Å; L128-S132 WeakPolarHBondContact O-CB 3.46Å; L128-S132 PolarHBondContact O-N 3.48Å; L128-L169 HydrophobicContact CD1-CD2 4.29Å; L128-L169 HydrophobicContact CD2-CD1 4.14Å
129	L	94.4	Very high	87.4	Confident	66 Å²	66	45.7 Å²	45.7	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-50.2	175.3	-178.1	64.2	0	0	0	111	E101 H125 L131 S132 Q133	E101-L129 HydrophobicContact CG-CB 4.43Å; H125-L129 PolarHBondContact O-N 2.86Å; H125-L129 VanDerWaalsContact O-N 3.11Å; L129-L131 PolarHBondContact O-N 3.34Å; L129-S132 PolarHBondContact O-N 3.4Å; L129-S132 VanDerWaalsContact O-N 3.14Å; L129-S132 PolarHBondContact O-OG 3.13Å; L129-Q133 HydrophobicContact CD1-CG 4.48Å; L129-Q133 WeakPolarHBondContact O-CG 3.41Å; L129-Q133 PolarHBondContact O-N 3.34Å
130	G	94.9	Very high	85.8	Confident	21 Å²	21	49 Å²	49	22%	0.216	29%	0.287	C	S	.	.	H	α-helix	trans	-57.5	-45.2	179.4	0	0	0	0	0	113.2	A126 Q133 L134	A126-G130 PolarHBondContact O-N 2.91Å; G130-Q133 PolarHBondContact O-N 2.92Å; G130-L134 PolarHBondContact O-N 3.11Å
131	L	96	Very high	83.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-39.1	176.5	-177	60.5	0	0	0	111.9	C33 L36 L40 L97 S127 L128 L129 Q133 L134 L135 F180	C33-L131 HydrophobicContact CB-CD1 3.98Å; L36-L131 HydrophobicContact CB-CB 4.44Å; L36-L131 HydrophobicContact CB-CD1 4.2Å; L36-L131 HydrophobicContact CD1-CB 4.48Å; L40-L131 HydrophobicContact CD1-CB 4.16Å; L40-L131 HydrophobicContact CD1-CD2 3.49Å; L40-L131 VanDerWaalsContact CD1-CD2 3.49Å; L40-L131 HydrophobicContact CD1-CG 4.48Å; L97-L131 HydrophobicContact CD1-CB 4.17Å; L97-L131 HydrophobicContact CD1-CD2 3.84Å; L97-L131 HydrophobicContact CD1-CG 3.69Å; L97-L131 HydrophobicContact CD2-CD2 4.05Å; S127-L131 PolarHBondContact O-N 3.23Å; L128-L131 PolarHBondContact O-N 3.32Å; L129-L131 PolarHBondContact O-N 3.34Å; L131-Q133 VanDerWaalsContact C-N 3.25Å; L131-Q133 PolarHBondContact O-N 3.39Å; L131-L134 PolarHBondContact O-N 2.93Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 2.84Å; L131-F180 HydrophobicContact CD1-CE2 4.22Å; L131-F180 HydrophobicContact CD1-CZ 4.45Å; L131-F180 HydrophobicContact CD2-CE2 4.02Å
132	S	93.4	Very high	82.3	Confident	10 Å²	10	56.1 Å²	56.1	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-33.2	178.2	78.1	0	0	0	0	113	L128 L129 L135	L128-S132 WeakPolarHBondContact O-CB 3.46Å; L128-S132 PolarHBondContact O-N 3.48Å; L129-S132 PolarHBondContact O-N 3.4Å; L129-S132 VanDerWaalsContact O-N 3.14Å; L129-S132 PolarHBondContact O-OG 3.13Å; S132-L135 PolarHBondContact O-N 3.22Å
133	Q	90.9	Very high	80.2	Confident	111 Å²	111	63.5 Å²	63.5	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-72.6	-38.5	177.2	-71.9	171.6	-7.6	0	0	111.8	L129 G130 L131 L135 Q136	L129-Q133 HydrophobicContact CD1-CG 4.48Å; L129-Q133 WeakPolarHBondContact O-CG 3.41Å; L129-Q133 PolarHBondContact O-N 3.34Å; G130-Q133 PolarHBondContact O-N 2.92Å; L131-Q133 VanDerWaalsContact C-N 3.25Å; L131-Q133 PolarHBondContact O-N 3.39Å; Q133-L135 PolarHBondContact O-N 2.89Å; Q133-Q136 WeakPolarHBondContact O-CB 3.02Å; Q133-Q136 PolarHBondContact O-N 3.08Å; Q133-Q136 VanDerWaalsContact O-N 3.13Å
134	L	91.8	Very high	78.3	Confident	58 Å²	58	62.7 Å²	62.7	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-24.1	174.2	-71.3	-172.4	0	0	0	113.5	Q32 L36 G130 L131	Q32-L134 HydrophobicContact CB-CD1 3.92Å; L36-L134 HydrophobicContact CD1-CD1 3.49Å; L36-L134 VanDerWaalsContact CD1-CD1 3.49Å; L36-L134 HydrophobicContact CD1-CG 4.3Å; L36-L134 HydrophobicContact CG-CD1 4.46Å; G130-L134 PolarHBondContact O-N 3.11Å; L131-L134 PolarHBondContact O-N 2.93Å
135	L	89.8	Confident	76.3	Confident	11 Å²	11	68.9 Å²	68.9	6%	0.058	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.9	178.3	-60.9	177.6	0	0	0	113.3	P28 L90 I93 R94 L97 L131 S132 Q133 P137 F180	P28-L135 HydrophobicContact CB-CD2 4.41Å; L90-L135 HydrophobicContact CD2-CD2 4.09Å; I93-L135 HydrophobicContact CB-CD1 4.46Å; I93-L135 HydrophobicContact CG2-CD1 3.82Å; R94-L135 HydrophobicContact CB-CB 4.31Å; R94-L135 HydrophobicContact CB-CD1 4.27Å; L97-L135 HydrophobicContact CD1-CD1 3.73Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 2.84Å; S132-L135 PolarHBondContact O-N 3.22Å; Q133-L135 PolarHBondContact O-N 2.89Å; L135-P137 WeakPolarHBondContact O-CD 3.4Å; L135-F180 HydrophobicContact CD1-CZ 3.84Å; L135-F180 HydrophobicContact CD2-CE1 3.7Å; L135-F180 HydrophobicContact CD2-CZ 3.72Å; L135-F180 HydrophobicContact CG-CZ 4.31Å
136	Q	79.8	Confident	74.4	Confident	87 Å²	87	75 Å²	75	41%	0.407	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-82.4	116.9	179.4	-170.4	161.6	18.9	0	0	109.9	Q133	Q133-Q136 WeakPolarHBondContact O-CB 3.02Å; Q133-Q136 PolarHBondContact O-N 3.08Å; Q133-Q136 VanDerWaalsContact O-N 3.13Å
137	P	67	Low	73	Confident	20 Å²	20	73.5 Å²	73.5	13%	0.13	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70.4	142.6	178.5	-12.4	27.1	0	0	0	110.8	L135 G139 H140 W142	L135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-G139 PolarHBondContact O-N 3.23Å; P137-H140 HydrophobicContact CB-CB 4.2Å; P137-H140 HydrophobicContact CG-CB 4.29Å; P137-H140 PolarHBondContact O-N 3.44Å; P137-W142 HydrophobicContact CG-CH2 4.27Å; P137-W142 HydrophobicContact CG-CZ2 3.35Å
138	E	54.5	Low	71.4	Confident	157 Å²	157	78.3 Å²	78.3	73%	0.734	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	127	170.4	-66	84.8	-173.7	0	0	110.2	S26 H140	S26-E138 PolarHBondContact OG-OE2 3.2Å; E138-H140 VanDerWaalsContact C-N 3.33Å; E138-H140 PolarHBondContact O-N 3.39Å
139	G	51.5	Low	69.9	Low	86 Å²	86	83.3 Å²	83.3	89%	0.887	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-3.8	175.1	0	0	0	0	0	116.4	P137	P137-G139 PolarHBondContact O-N 3.23Å
140	H	53.1	Low	68.9	Low	91 Å²	91	82 Å²	82	42%	0.421	45%	0.445	S	S	.	.			trans	-106	100.1	173.1	-67.3	72.7	0	0	0	110.5	P137 E138 W142	P137-H140 HydrophobicContact CB-CB 4.2Å; P137-H140 HydrophobicContact CG-CB 4.29Å; P137-H140 PolarHBondContact O-N 3.44Å; E138-H140 VanDerWaalsContact C-N 3.33Å; E138-H140 PolarHBondContact O-N 3.39Å; H140-W142 PolarHBondContact O-N 3.39Å
141	H	51.2	Low	68	Low	170 Å²	170	85.7 Å²	85.7	79%	0.787	47%	0.467	S	S	*	.			trans	-65.5	83.1	153.2	-117.7	-105.4	0	0	0	105.7	E143	H141-E143 VanDerWaalsContact C-N 3.3Å; H141-E143 PolarHBondContact O-N 3.12Å
142	W	57.3	Low	67.2	Low	52 Å²	52	91.4 Å²	91.4	20%	0.197	50%	0.504	C	S	.	.			trans	-55.6	112.2	159.9	-63.3	-4	0	0	0	103.3	Q91 R94 P137 H140 T144	Q91-W142 HydrophobicContact CB-CE3 4.5Å; Q91-W142 HydrophobicContact CB-CH2 4.08Å; Q91-W142 HydrophobicContact CB-CZ3 3.93Å; Q91-W142 HydrophobicContact CG-CE3 4.03Å; Q91-W142 HydrophobicContact CG-CH2 4.45Å; Q91-W142 HydrophobicContact CG-CZ3 3.95Å; R94-W142 HydrophobicContact CB-CE3 4.46Å; R94-W142 HydrophobicContact CB-CZ3 3.86Å; R94-W142 HydrophobicContact CG-CE3 4.42Å; R94-W142 HydrophobicContact CG-CZ3 4.2Å; R94-W142 VanDerWaalsContact NH1-CB 3.32Å; P137-W142 HydrophobicContact CG-CH2 4.27Å; P137-W142 HydrophobicContact CG-CZ2 3.35Å; H140-W142 PolarHBondContact O-N 3.39Å; W142-T144 VanDerWaalsContact C-N 3.34Å; W142-T144 PolarHBondContact O-N 3.25Å
143	E	47.6	Very low	66.6	Low	180 Å²	180	91.4 Å²	91.4	84%	0.841	50%	0.504	S	S	*	.			trans	-45.9	111.1	174.6	-81.3	168.9	157.3	0	0	104.8	H141 Q145	H141-E143 VanDerWaalsContact C-N 3.3Å; H141-E143 PolarHBondContact O-N 3.12Å; E143-Q145 PolarHBondContact O-N 3.37Å
144	T	53.9	Low	66.4	Low	77 Å²	77	91.6 Å²	91.6	47%	0.472	51%	0.505	S	S	.	.			trans	-61	93.8	175.5	-45.9	0	0	0	0	102.6	W142 Q146	W142-T144 VanDerWaalsContact C-N 3.34Å; W142-T144 PolarHBondContact O-N 3.25Å; T144-Q146 PolarHBondContact O-N 2.9Å
145	Q	53	Low	66.1	Low	129 Å²	129	91.4 Å²	91.4	60%	0.603	51%	0.507	S	S	*	.			trans	-45	118.9	170.2	-91.9	-178.5	-26.4	0	0	103.2	Q95 E143 I147	Q95-Q145 VanDerWaalsContact NE2-OE1 3.13Å; E143-Q145 PolarHBondContact O-N 3.37Å; Q145-I147 PolarHBondContact O-N 3.46Å
146	Q	55	Low	65.7	Low	182 Å²	182	99.9 Å²	99.9	85%	0.85	54%	0.539	S	S	*	.			trans	-66	85.3	-174.6	-77	179.2	-16	0	0	105.7	T144 P148	T144-Q146 PolarHBondContact O-N 2.9Å; Q146-P148 WeakPolarHBondContact O-CD 3.32Å
147	I	64.6	Low	66	Low	26 Å²	26	99.1 Å²	99.1	13%	0.133	54%	0.535	C	S	.	.			trans	-62.4	111.2	169	-61.5	173.9	0	0	0	102.8	I98 F99 K102 Q145 S149	I98-I147 HydrophobicContact CB-CD1 4.45Å; I98-I147 HydrophobicContact CG2-CD1 4.12Å; F99-I147 HydrophobicContact CB-CD1 3.83Å; F99-I147 HydrophobicContact CD2-CD1 4.34Å; F99-I147 HydrophobicContact CD2-CG2 3.56Å; F99-I147 HydrophobicContact CE2-CG2 4.15Å; K102-I147 HydrophobicContact CD-CB 4.08Å; K102-I147 HydrophobicContact CD-CG2 4.27Å; K102-I147 PolarHBondContact NZ-O 2.9Å; Q145-I147 PolarHBondContact O-N 3.46Å; I147-S149 PolarHBondContact O-N 3.49Å
148	P	64	Low	67	Low	109 Å²	109	99.7 Å²	99.7	71%	0.708	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-57.6	143.2	-177.3	-5.3	13.1	0	0	0	108.2	Q146	Q146-P148 WeakPolarHBondContact O-CD 3.32Å
149	S	64.1	Low	68.4	Low	105 Å²	105	96.7 Å²	96.7	73%	0.734	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-59	137.4	170.1	-57.9	0	0	0	0	108.4	I147	I147-S149 PolarHBondContact O-N 3.49Å
150	P	73.3	Confident	70.1	Confident	40 Å²	40	94.6 Å²	94.6	26%	0.26	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-57.3	144.8	176.9	25.1	-34.3	0	0	0	110.1	L103 S106	L103-P150 HydrophobicContact CD2-CB 4.02Å; L103-P150 HydrophobicContact CD2-CG 4.03Å; S106-P150 VanDerWaalsContact CB-CG 3.45Å
151	S	76.1	Confident	71.7	Confident	98 Å²	98	93 Å²	93	69%	0.685	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-61.5	147.1	173.6	55.1	0	0	0	0	110.6	S153	S151-S153 PolarHBondContact O-N 3.08Å
152	P	78.8	Confident	73.6	Confident	120 Å²	120	85.8 Å²	85.8	78%	0.779	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-58.7	137.4	179.8	23	-32.2	0	0	0	111.4
153	S	82.2	Confident	75	Confident	11 Å²	11	84.3 Å²	84.3	8%	0.077	45%	0.446	C	S	.	.			trans	-106.5	146.2	-174.1	65.3	0	0	0	0	112.1	D107 S151 R158	D107-S153 PolarHBondContact OD2-N 2.87Å; D107-S153 PolarHBondContact OD2-OG 2.94Å; S151-S153 PolarHBondContact O-N 3.08Å; S153-R158 PolarHBondContact O-NE 3.49Å; S153-R158 PolarHBondContact O-NH2 2.69Å; S153-R158 WeakPolarHBondContact OG-CG 3.44Å; S153-R158 PolarHBondContact OG-NE 2.86Å; S153-R158 VanDerWaalsContact OG-NE 3.15Å
154	Q	86	Confident	76.9	Confident	115 Å²	115	78 Å²	78	54%	0.537	42%	0.416	S	S	.	.			trans	-75.9	143.1	173.9	-63.8	-66.7	-31.2	0	0	110.7	W156 Q157 R158	Q154-W156 PolarHBondContact O-N 3.49Å; Q154-W156 VanDerWaalsContact O-N 3.08Å; Q154-Q157 HydrophobicContact CB-CG 4.24Å; Q154-Q157 WeakPolarHBondContact O-CB 3.01Å; Q154-Q157 PolarHBondContact O-N 3.5Å; Q154-R158 WeakPolarHBondContact O-CG 3.41Å; Q154-R158 PolarHBondContact O-N 3.24Å
155	P	84.9	Confident	78.7	Confident	54 Å²	54	75.2 Å²	75.2	35%	0.351	40%	0.398	S	S	.	.	H	α-helix	trans	-52.3	-37.6	-175.5	-27.2	32.8	0	0	0	115	R158	P155-R158 PolarHBondContact O-N 3.04Å
156	W	81.4	Confident	80.6	Confident	189 Å²	189	69.2 Å²	69.2	72%	0.716	37%	0.37	S	S	*	.	H	α-helix	trans	-70.5	-30.5	178.7	66.1	-94.4	0	0	0	113.1	Q154	Q154-W156 PolarHBondContact O-N 3.49Å; Q154-W156 VanDerWaalsContact O-N 3.08Å
157	Q	85.8	Confident	82.3	Confident	71 Å²	71	64 Å²	64	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-74.8	-30.1	176.6	-66.2	176.2	-53.9	0	0	111.8	Q154 L159 L160 L161	Q154-Q157 HydrophobicContact CB-CG 4.24Å; Q154-Q157 WeakPolarHBondContact O-CB 3.01Å; Q154-Q157 PolarHBondContact O-N 3.5Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 3Å; Q157-L160 WeakPolarHBondContact O-CB 3.29Å; Q157-L160 PolarHBondContact O-N 2.91Å; Q157-L160 VanDerWaalsContact O-N 3.15Å; Q157-L161 HydrophobicContact CB-CD1 4.16Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 3.34Å
158	R	88	Confident	83.6	Confident	32 Å²	32	64.3 Å²	64.3	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-43.1	-173	-70.7	176.8	-165.1	150.4	0.6	112.7	D107 E112 S153 Q154 P155 L160 L161 R162	D107-R158 IonicContact OD2-NE 2.75Å; D107-R158 IonicContact OD2-NH2 3.59Å; E112-R158 VanDerWaalsContact N-NH1 3.16Å; E112-R158 VanDerWaalsContact O-CD 3.27Å; E112-R158 WeakPolarHBondContact O-CD 3.47Å; E112-R158 PolarHBondContact O-NH1 3.35Å; S153-R158 PolarHBondContact O-NE 3.49Å; S153-R158 PolarHBondContact O-NH2 2.69Å; S153-R158 WeakPolarHBondContact OG-CG 3.44Å; S153-R158 PolarHBondContact OG-NE 2.86Å; S153-R158 VanDerWaalsContact OG-NE 3.15Å; Q154-R158 WeakPolarHBondContact O-CG 3.41Å; Q154-R158 PolarHBondContact O-N 3.24Å; P155-R158 PolarHBondContact O-N 3.04Å; R158-L160 VanDerWaalsContact C-N 3.32Å; R158-L160 PolarHBondContact O-N 3.36Å; R158-L161 PolarHBondContact O-N 3.35Å; R158-R162 WeakPolarHBondContact O-CB 3.27Å; R158-R162 WeakPolarHBondContact O-CG 3.33Å; R158-R162 PolarHBondContact O-N 2.92Å
159	L	85.1	Confident	85.1	Confident	93 Å²	93	59.1 Å²	59.1	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-47.2	-179.5	-173.9	64.1	0	0	0	110.6	Q157 R162 F163	Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 3Å; L159-R162 PolarHBondContact O-N 2.94Å; L159-F163 HydrophobicContact CD1-CD2 4.43Å; L159-F163 HydrophobicContact CD1-CE2 3.76Å; L159-F163 HydrophobicContact CG-CD2 4.28Å; L159-F163 HydrophobicContact CG-CE2 3.83Å; L159-F163 WeakPolarHBondContact O-CD2 3.29Å; L159-F163 PolarHBondContact O-N 3.33Å
160	L	85.9	Confident	86.6	Confident	42 Å²	42	54.7 Å²	54.7	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-46.9	177.3	-178.6	67.6	0	0	0	112.2	L56 Q157 R158 R162 F163 K164	L56-L160 HydrophobicContact CB-CD1 3.97Å; L56-L160 HydrophobicContact CD1-CD1 3.27Å; L56-L160 HydrophobicContact CD2-CD1 3.29Å; L56-L160 HydrophobicContact CG-CD1 3.63Å; Q157-L160 WeakPolarHBondContact O-CB 3.29Å; Q157-L160 PolarHBondContact O-N 2.91Å; Q157-L160 VanDerWaalsContact O-N 3.15Å; R158-L160 VanDerWaalsContact C-N 3.32Å; R158-L160 PolarHBondContact O-N 3.36Å; L160-R162 PolarHBondContact O-N 2.98Å; L160-F163 PolarHBondContact O-N 3.47Å; L160-K164 PolarHBondContact O-N 3.14Å
161	L	88.1	Confident	87.6	Confident	58 Å²	58	55.9 Å²	55.9	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-41.5	178.5	-72	171	0	0	0	111.9	I108 Q157 R158 F163 K164 I165	I108-L161 HydrophobicContact CD1-CD1 4.34Å; I108-L161 HydrophobicContact CG1-CD1 4.46Å; I108-L161 HydrophobicContact CG2-CB 4.02Å; Q157-L161 HydrophobicContact CB-CD1 4.16Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 3.34Å; R158-L161 PolarHBondContact O-N 3.35Å; L161-F163 VanDerWaalsContact C-N 3.3Å; L161-F163 PolarHBondContact O-N 3.26Å; L161-K164 PolarHBondContact O-N 3.4Å; L161-I165 HydrophobicContact CB-CD1 4.41Å; L161-I165 WeakPolarHBondContact O-CB 3.45Å; L161-I165 WeakPolarHBondContact O-CD1 3.3Å; L161-I165 VanDerWaalsContact O-CG1 3.24Å; L161-I165 WeakPolarHBondContact O-CG1 3.2Å; L161-I165 PolarHBondContact O-N 3.01Å
162	R	89.6	Confident	88.7	Confident	19 Å²	19	51.8 Å²	51.8	7%	0.072	26%	0.264	C	S	.	.	H	α-helix	trans	-56.2	-45.6	174.9	-71.4	167.5	-170.5	-173.8	-0.8	111.1	I108 F109 G111 P113 R158 L159 L160 L166	I108-R162 HydrophobicContact CG2-CG 3.9Å; I108-R162 PolarHBondContact O-NE 3.04Å; I108-R162 PolarHBondContact O-NH2 3.05Å; F109-R162 HydrophobicContact CD1-CG 3.85Å; F109-R162 HydrophobicContact CE1-CB 3.97Å; F109-R162 HydrophobicContact CE1-CG 3.7Å; F109-R162 HydrophobicContact CE2-CG 4.38Å; F109-R162 HydrophobicContact CG-CG 4.31Å; F109-R162 HydrophobicContact CZ-CB 4.14Å; F109-R162 HydrophobicContact CZ-CG 3.98Å; G111-R162 PolarHBondContact O-NH2 3.45Å; P113-R162 VanDerWaalsContact O-CZ 3.29Å; P113-R162 PolarHBondContact O-NH1 3.33Å; P113-R162 PolarHBondContact O-NH2 3.25Å; R158-R162 WeakPolarHBondContact O-CB 3.27Å; R158-R162 WeakPolarHBondContact O-CG 3.33Å; R158-R162 PolarHBondContact O-N 2.92Å; L159-R162 PolarHBondContact O-N 2.94Å; L160-R162 PolarHBondContact O-N 2.98Å; R162-L166 WeakPolarHBondContact O-CB 3.41Å; R162-L166 VanDerWaalsContact O-CG 3.24Å; R162-L166 WeakPolarHBondContact O-CG 3.36Å; R162-L166 PolarHBondContact O-N 3.14Å
163	F	87.5	Confident	89.6	Confident	21 Å²	21	46.1 Å²	46.1	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-49.7	177.4	-77.5	-74.3	0	0	0	111.9	H48 P49 V51 L56 L159 L160 L161 I165 L166 R167	H48-F163 AromaticContact CE1-CD1 3.56Å; H48-F163 PolarHBondContact CE1-O 2.94Å; H48-F163 AromaticContact NE2-CD1 3.62Å; P49-F163 HydrophobicContact CB-CE1 3.78Å; P49-F163 HydrophobicContact CB-CZ 3.75Å; P49-F163 HydrophobicContact CG-CE1 3.65Å; P49-F163 HydrophobicContact CG-CZ 3.58Å; V51-F163 HydrophobicContact CB-CE1 3.83Å; V51-F163 HydrophobicContact CB-CZ 3.82Å; V51-F163 HydrophobicContact CG2-CE1 4.01Å; V51-F163 HydrophobicContact CG2-CE2 4.45Å; V51-F163 HydrophobicContact CG2-CZ 3.53Å; L56-F163 HydrophobicContact CD1-CB 4.09Å; L159-F163 HydrophobicContact CD1-CD2 4.43Å; L159-F163 HydrophobicContact CD1-CE2 3.76Å; L159-F163 HydrophobicContact CG-CD2 4.28Å; L159-F163 HydrophobicContact CG-CE2 3.83Å; L159-F163 WeakPolarHBondContact O-CD2 3.29Å; L159-F163 PolarHBondContact O-N 3.33Å; L160-F163 PolarHBondContact O-N 3.47Å; L161-F163 VanDerWaalsContact C-N 3.3Å; L161-F163 PolarHBondContact O-N 3.26Å; F163-I165 PolarHBondContact O-N 3.23Å; F163-L166 PolarHBondContact O-N 3.14Å; F163-R167 WeakPolarHBondContact O-CB 3.44Å; F163-R167 PolarHBondContact O-N 3.39Å
164	K	88.3	Confident	90.3	Very high	46 Å²	46	46.8 Å²	46.8	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-46.6	179	-70.4	-170.6	177	-170.6	0	111.6	L56 E58 D61 L160 L161 R167 S168	L56-K164 WeakPolarHBondContact O-CE 3.22Å; E58-K164 IonicContact OE2-NZ 3.32Å; E58-K164 PolarHBondContact OE2-NZ 3.42Å; D61-K164 IonicContact OD1-NZ 2.82Å; D61-K164 PolarHBondContact OD1-NZ 2.94Å; L160-K164 PolarHBondContact O-N 3.14Å; L161-K164 PolarHBondContact O-N 3.4Å; K164-R167 PolarHBondContact O-N 3.03Å; K164-S168 WeakPolarHBondContact O-CB 3.5Å; K164-S168 PolarHBondContact O-N 2.7Å
165	I	91.2	Very high	90.9	Very high	19 Å²	19	43.6 Å²	43.6	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-47.9	179.6	-70	163.3	0	0	0	111.2	Y100 L103 L104 I108 F109 L161 F163 R167 S168 L169	Y100-I165 HydrophobicContact CD1-CG2 4.12Å; Y100-I165 HydrophobicContact CE1-CG2 4.25Å; L103-I165 HydrophobicContact CD1-CD1 4.16Å; L103-I165 HydrophobicContact CD1-CG1 4.14Å; L103-I165 HydrophobicContact CD1-CG2 4.05Å; L104-I165 HydrophobicContact CD1-CG2 4.18Å; I108-I165 HydrophobicContact CD1-CD1 3.85Å; I108-I165 HydrophobicContact CG2-CD1 4.11Å; F109-I165 HydrophobicContact CE2-CB 4.4Å; F109-I165 HydrophobicContact CE2-CD1 4.09Å; F109-I165 HydrophobicContact CE2-CG2 4.02Å; F109-I165 HydrophobicContact CZ-CB 4.28Å; F109-I165 HydrophobicContact CZ-CG2 4.01Å; L161-I165 HydrophobicContact CB-CD1 4.41Å; L161-I165 WeakPolarHBondContact O-CB 3.45Å; L161-I165 WeakPolarHBondContact O-CD1 3.3Å; L161-I165 VanDerWaalsContact O-CG1 3.24Å; L161-I165 WeakPolarHBondContact O-CG1 3.2Å; L161-I165 PolarHBondContact O-N 3.01Å; F163-I165 PolarHBondContact O-N 3.23Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 3.13Å; I165-S168 PolarHBondContact O-N 2.94Å; I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.23Å; I165-L169 PolarHBondContact O-N 2.89Å
166	L	92.3	Very high	91.5	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-37	179.8	-71.8	174.5	0	0	0	111.9	H48 F109 L124 R162 F163 L169 Q170	H48-L166 WeakPolarHBondContact ND1-CB 3.16Å; F109-L166 HydrophobicContact CE1-CD1 4.31Å; F109-L166 HydrophobicContact CE1-CD2 4.31Å; F109-L166 HydrophobicContact CE1-CG 4.17Å; F109-L166 HydrophobicContact CZ-CD2 4.41Å; F109-L166 HydrophobicContact CZ-CG 4.2Å; L124-L166 HydrophobicContact CD2-CD2 3.79Å; R162-L166 WeakPolarHBondContact O-CB 3.41Å; R162-L166 VanDerWaalsContact O-CG 3.24Å; R162-L166 WeakPolarHBondContact O-CG 3.36Å; R162-L166 PolarHBondContact O-N 3.14Å; F163-L166 PolarHBondContact O-N 3.14Å; L166-L169 HydrophobicContact CD2-CD2 4.46Å; L166-L169 PolarHBondContact O-N 2.75Å; L166-Q170 VanDerWaalsContact O-CG 3.26Å; L166-Q170 WeakPolarHBondContact O-CG 3.36Å; L166-Q170 PolarHBondContact O-N 3.33Å
167	R	90.9	Very high	92.4	Very high	72 Å²	72	32.5 Å²	32.5	27%	0.272	18%	0.175	S	C	.	.	H	α-helix	trans	-66	-43.8	175.2	-173.9	178.9	-68.7	171.1	2.4	111.8	M54 D55 F163 K164 I165 L169 Q170 A171	M54-R167 PolarHBondContact O-NH1 3.31Å; M54-R167 VanDerWaalsContact O-NH1 3.07Å; M54-R167 PolarHBondContact O-NH2 3.35Å; D55-R167 IonicContact OD1-NH1 3.83Å; F163-R167 WeakPolarHBondContact O-CB 3.44Å; F163-R167 PolarHBondContact O-N 3.39Å; K164-R167 PolarHBondContact O-N 3.03Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 3.13Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-Q170 WeakPolarHBondContact O-CB 3.44Å; R167-Q170 PolarHBondContact O-N 3.26Å; R167-A171 PolarHBondContact O-N 3.46Å
168	S	92.8	Very high	93	Very high	33 Å²	33	37 Å²	37	23%	0.231	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-42.9	174.5	-170.5	0	0	0	0	111.4	Y100 K164 I165 Q170 A171 F172	Y100-S168 WeakPolarHBondContact OH-CB 3.44Å; Y100-S168 PolarHBondContact OH-OG 3.32Å; K164-S168 WeakPolarHBondContact O-CB 3.5Å; K164-S168 PolarHBondContact O-N 2.7Å; I165-S168 PolarHBondContact O-N 2.94Å; S168-Q170 VanDerWaalsContact C-N 3.35Å; S168-Q170 PolarHBondContact O-N 3.02Å; S168-A171 PolarHBondContact O-N 3.16Å; S168-F172 PolarHBondContact O-N 3.24Å; S168-F172 VanDerWaalsContact O-N 3.09Å
169	L	95.1	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-40.4	176.5	177.8	60.4	0	0	0	112.1	Y100 L104 L124 L128 I165 L166 R167 A171 F172 V173	Y100-L169 HydrophobicContact CD1-CB 3.91Å; Y100-L169 HydrophobicContact CD1-CD1 3.97Å; Y100-L169 HydrophobicContact CD1-CG 4.36Å; Y100-L169 HydrophobicContact CD2-CD1 3.62Å; Y100-L169 HydrophobicContact CE1-CB 3.79Å; Y100-L169 HydrophobicContact CE1-CD1 4.39Å; Y100-L169 HydrophobicContact CE2-CD1 4.1Å; Y100-L169 HydrophobicContact CG-CB 4.4Å; Y100-L169 HydrophobicContact CG-CD1 3.57Å; Y100-L169 HydrophobicContact CG-CG 4.42Å; L104-L169 HydrophobicContact CD1-CD2 4.44Å; L124-L169 HydrophobicContact CD1-CD2 4.25Å; L124-L169 HydrophobicContact CD2-CD2 3.76Å; L124-L169 HydrophobicContact CG-CD2 4.16Å; L128-L169 HydrophobicContact CD1-CD2 4.29Å; L128-L169 HydrophobicContact CD2-CD1 4.14Å; I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.23Å; I165-L169 PolarHBondContact O-N 2.89Å; L166-L169 HydrophobicContact CD2-CD2 4.46Å; L166-L169 PolarHBondContact O-N 2.75Å; R167-L169 VanDerWaalsContact C-N 3.33Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.49Å; L169-F172 HydrophobicContact CD1-CD1 4.19Å; L169-F172 PolarHBondContact O-N 3.23Å; L169-V173 HydrophobicContact CD1-CG1 3.53Å; L169-V173 HydrophobicContact CG-CG1 4.12Å; L169-V173 WeakPolarHBondContact O-CG2 3.28Å; L169-V173 PolarHBondContact O-N 2.71Å
170	Q	94.9	Very high	94.1	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.056	16%	0.161	C	C	.	.	H	α-helix	trans	-56.4	-45.2	175.8	-75.1	161.6	-1.1	0	0	111.9	A44 W45 L166 R167 S168 A174	A44-Q170 HydrophobicContact CB-CG 3.88Å; A44-Q170 PolarHBondContact O-NE2 3.38Å; W45-Q170 HydrophobicContact CD2-CG 4.22Å; W45-Q170 HydrophobicContact CZ2-CB 4.33Å; W45-Q170 HydrophobicContact CZ2-CG 4.44Å; L166-Q170 VanDerWaalsContact O-CG 3.26Å; L166-Q170 WeakPolarHBondContact O-CG 3.36Å; L166-Q170 PolarHBondContact O-N 3.33Å; R167-Q170 WeakPolarHBondContact O-CB 3.44Å; R167-Q170 PolarHBondContact O-N 3.26Å; S168-Q170 VanDerWaalsContact C-N 3.35Å; S168-Q170 PolarHBondContact O-N 3.02Å; Q170-A174 VanDerWaalsContact O-CB 3.29Å; Q170-A174 WeakPolarHBondContact O-CB 3.38Å; Q170-A174 PolarHBondContact O-N 2.94Å; Q170-A174 VanDerWaalsContact O-N 3.13Å
171	A	95.6	Very high	94.6	Very high	65 Å²	65	31 Å²	31	54%	0.537	17%	0.165	S	C	.	.	H	α-helix	trans	-63.6	-46.1	177	0	0	0	0	0	111.3	R167 S168 L169 A174 V175	R167-A171 PolarHBondContact O-N 3.46Å; S168-A171 PolarHBondContact O-N 3.16Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.49Å; A171-A174 PolarHBondContact O-N 3.39Å; A171-V175 PolarHBondContact O-N 3.42Å
172	F	97.6	Very high	95.1	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-53.3	178.5	174.2	-95	0	0	0	112.7	I71 I93 L97 Y100 S168 L169 A174 V175 A176	I71-F172 HydrophobicContact CD1-CD2 4.04Å; I71-F172 HydrophobicContact CD1-CE2 3.81Å; I71-F172 HydrophobicContact CG1-CD2 4.11Å; I71-F172 HydrophobicContact CG1-CE2 3.9Å; I93-F172 HydrophobicContact CG2-CZ 4.4Å; I93-F172 WeakPolarHBondContact O-CZ 3.42Å; L97-F172 HydrophobicContact CD2-CE1 3.95Å; L97-F172 HydrophobicContact CG-CE1 4.11Å; L97-F172 HydrophobicContact CG-CZ 4.38Å; Y100-F172 HydrophobicContact CD2-CD1 4.06Å; Y100-F172 HydrophobicContact CD2-CE1 4.46Å; Y100-F172 HydrophobicContact CD2-CG 4.33Å; Y100-F172 HydrophobicContact CE2-CB 3.9Å; Y100-F172 AromaticContact CE2-CD1 3.98Å; Y100-F172 HydrophobicContact CE2-CD1 3.98Å; Y100-F172 HydrophobicContact CE2-CD2 4.31Å; Y100-F172 AromaticContact CE2-CG 3.79Å; Y100-F172 HydrophobicContact CE2-CG 3.79Å; S168-F172 PolarHBondContact O-N 3.24Å; S168-F172 VanDerWaalsContact O-N 3.09Å; L169-F172 HydrophobicContact CD1-CD1 4.19Å; L169-F172 PolarHBondContact O-N 3.23Å; F172-A174 PolarHBondContact O-N 3.15Å; F172-V175 PolarHBondContact O-N 3.1Å; F172-V175 VanDerWaalsContact O-N 3.13Å; F172-A176 PolarHBondContact O-N 3.24Å; F172-A176 VanDerWaalsContact O-N 3.08Å
173	V	97.6	Very high	95.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-27.5	-177.5	-60	0	0	0	0	112.2	L40 A44 L169 A176 A177	L40-V173 HydrophobicContact CB-CB 4.41Å; L40-V173 HydrophobicContact CB-CG1 4.27Å; A44-V173 HydrophobicContact CB-CG2 4.08Å; L169-V173 HydrophobicContact CD1-CG1 3.53Å; L169-V173 HydrophobicContact CG-CG1 4.12Å; L169-V173 WeakPolarHBondContact O-CG2 3.28Å; L169-V173 PolarHBondContact O-N 2.71Å; V173-A176 PolarHBondContact O-N 2.85Å; V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.42Å; V173-A177 PolarHBondContact O-N 3.32Å
174	A	98.1	Very high	95.8	Very high	24 Å²	24	30.1 Å²	30.1	20%	0.198	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-39.5	173.9	0	0	0	0	0	111.6	Q170 A171 F172 R178	Q170-A174 VanDerWaalsContact O-CB 3.29Å; Q170-A174 WeakPolarHBondContact O-CB 3.38Å; Q170-A174 PolarHBondContact O-N 2.94Å; Q170-A174 VanDerWaalsContact O-N 3.13Å; A171-A174 PolarHBondContact O-N 3.39Å; F172-A174 PolarHBondContact O-N 3.15Å; A174-R178 WeakPolarHBondContact O-CG 3.49Å; A174-R178 PolarHBondContact O-N 3.41Å; A174-R178 PolarHBondContact O-NH1 2.91Å
175	V	98.3	Very high	96.2	Very high	48 Å²	48	31.9 Å²	31.9	29%	0.291	19%	0.187	S	C	.	.	H	α-helix	trans	-66.8	-47.9	174	177.1	0	0	0	0	110	I71 A171 F172 A177 R178 V179	I71-V175 HydrophobicContact CB-CG1 4.22Å; I71-V175 HydrophobicContact CD1-CB 3.92Å; I71-V175 HydrophobicContact CD1-CG1 3.56Å; I71-V175 HydrophobicContact CG1-CG1 4.49Å; I71-V175 HydrophobicContact CG2-CG1 3.99Å; A171-V175 PolarHBondContact O-N 3.42Å; F172-V175 PolarHBondContact O-N 3.1Å; F172-V175 VanDerWaalsContact O-N 3.13Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.36Å; V175-R178 PolarHBondContact O-N 2.83Å; V175-R178 VanDerWaalsContact O-N 3.13Å; V175-V179 HydrophobicContact CG1-CG2 4.49Å; V175-V179 WeakPolarHBondContact O-CG2 3.36Å; V175-V179 PolarHBondContact O-N 2.78Å
176	A	98.2	Very high	96.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-57	-44	177.9	0	0	0	0	0	112.4	I93 F172 V173 R178 V179 F180	I93-A176 HydrophobicContact CD1-CB 4.26Å; I93-A176 HydrophobicContact CG1-CB 4.37Å; I93-A176 HydrophobicContact CG2-CB 4.05Å; F172-A176 PolarHBondContact O-N 3.24Å; F172-A176 VanDerWaalsContact O-N 3.08Å; V173-A176 PolarHBondContact O-N 2.85Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 3.21Å; A176-V179 WeakPolarHBondContact O-CB 3.45Å; A176-V179 PolarHBondContact O-N 2.81Å; A176-F180 HydrophobicContact CB-CD2 4.47Å; A176-F180 HydrophobicContact CB-CE2 4.15Å; A176-F180 WeakPolarHBondContact O-CD2 3.39Å; A176-F180 PolarHBondContact O-N 3.05Å
177	A	98.4	Very high	96.3	Very high	10 Å²	10	36.9 Å²	36.9	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-39	177.7	0	0	0	0	0	112.6	C41 V173 V175 F180 A181	C41-A177 VanDerWaalsContact SG-CB 3.58Å; V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.42Å; V173-A177 PolarHBondContact O-N 3.32Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.36Å; A177-F180 PolarHBondContact O-N 3.29Å; A177-A181 VanDerWaalsContact O-CB 3.22Å; A177-A181 WeakPolarHBondContact O-CB 3.19Å; A177-A181 PolarHBondContact O-N 2.95Å
178	R	98.6	Very high	95.9	Very high	165 Å²	165	36 Å²	36	62%	0.623	22%	0.221	S	C	*	.	H	α-helix	trans	-65.1	-42.6	174	-69.7	179.3	-163.7	98.7	-6.7	111.7	A174 V175 A176 A181 H182	A174-R178 WeakPolarHBondContact O-CG 3.49Å; A174-R178 PolarHBondContact O-N 3.41Å; A174-R178 PolarHBondContact O-NH1 2.91Å; V175-R178 PolarHBondContact O-N 2.83Å; V175-R178 VanDerWaalsContact O-N 3.13Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 3.21Å; R178-A181 PolarHBondContact O-N 3.45Å; R178-H182 VanDerWaalsContact O-CB 3.29Å; R178-H182 WeakPolarHBondContact O-CB 3.4Å; R178-H182 PolarHBondContact O-N 3.03Å
179	V	98.2	Very high	94.7	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-51	175.8	166.8	0	0	0	0	110.6	W30 C77 L82 I93 V175 A176 H182 G183	W30-V179 HydrophobicContact CZ3-CG1 4.43Å; C77-V179 HydrophobicContact CB-CG2 3.94Å; L82-V179 HydrophobicContact CD1-CB 4.3Å; L82-V179 HydrophobicContact CD1-CG1 3.95Å; L82-V179 HydrophobicContact CD1-CG2 4.21Å; L82-V179 HydrophobicContact CD2-CG1 3.7Å; L82-V179 HydrophobicContact CG-CG1 4.49Å; I93-V179 HydrophobicContact CD1-CB 3.97Å; I93-V179 HydrophobicContact CD1-CG1 3.74Å; I93-V179 HydrophobicContact CD1-CG2 4.16Å; V175-V179 HydrophobicContact CG1-CG2 4.49Å; V175-V179 WeakPolarHBondContact O-CG2 3.36Å; V175-V179 PolarHBondContact O-N 2.78Å; A176-V179 WeakPolarHBondContact O-CB 3.45Å; A176-V179 PolarHBondContact O-N 2.81Å; V179-H182 PolarHBondContact O-N 3.21Å; V179-G183 PolarHBondContact O-N 3.46Å
180	F	98.2	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-36.3	-178.6	-65	-56.8	0	0	0	113.3	W30 C33 Q34 L90 I93 L131 L135 A176 A177 A184	W30-F180 AromaticContact CE3-CD1 3.85Å; W30-F180 HydrophobicContact CE3-CD1 3.85Å; W30-F180 AromaticContact CZ3-CD1 3.81Å; W30-F180 HydrophobicContact CZ3-CD1 3.81Å; W30-F180 HydrophobicContact CZ3-CE1 4.28Å; C33-F180 HydrophobicContact CB-CB 4.19Å; C33-F180 HydrophobicContact CB-CD1 3.32Å; C33-F180 HydrophobicContact CB-CD2 4.17Å; C33-F180 HydrophobicContact CB-CE1 3.66Å; C33-F180 HydrophobicContact CB-CE2 4.45Å; C33-F180 HydrophobicContact CB-CG 3.63Å; C33-F180 HydrophobicContact CB-CZ 4.23Å; Q34-F180 HydrophobicContact CB-CB 4.26Å; L90-F180 HydrophobicContact CD2-CE1 3.61Å; L90-F180 HydrophobicContact CD2-CZ 4.22Å; I93-F180 HydrophobicContact CD1-CE2 4.35Å; I93-F180 HydrophobicContact CD1-CZ 4.16Å; I93-F180 HydrophobicContact CG2-CE2 4.05Å; I93-F180 HydrophobicContact CG2-CZ 3.98Å; L131-F180 HydrophobicContact CD1-CE2 4.22Å; L131-F180 HydrophobicContact CD1-CZ 4.45Å; L131-F180 HydrophobicContact CD2-CE2 4.02Å; L135-F180 HydrophobicContact CD1-CZ 3.84Å; L135-F180 HydrophobicContact CD2-CE1 3.7Å; L135-F180 HydrophobicContact CD2-CZ 3.72Å; L135-F180 HydrophobicContact CG-CZ 4.31Å; A176-F180 HydrophobicContact CB-CD2 4.47Å; A176-F180 HydrophobicContact CB-CE2 4.15Å; A176-F180 WeakPolarHBondContact O-CD2 3.39Å; A176-F180 PolarHBondContact O-N 3.05Å; A177-F180 PolarHBondContact O-N 3.29Å; F180-A184 WeakPolarHBondContact O-CB 3.36Å; F180-A184 PolarHBondContact O-N 3.36Å
181	A	98.1	Very high	94.6	Very high	37 Å²	37	47.6 Å²	47.6	31%	0.306	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-42.6	173.5	0	0	0	0	0	111.7	Q34 A177 R178 A185	Q34-A181 HydrophobicContact CG-CB 4.27Å; A177-A181 VanDerWaalsContact O-CB 3.22Å; A177-A181 WeakPolarHBondContact O-CB 3.19Å; A177-A181 PolarHBondContact O-N 2.95Å; R178-A181 PolarHBondContact O-N 3.45Å; A181-A185 WeakPolarHBondContact O-CB 3.38Å; A181-A185 PolarHBondContact O-N 3.34Å; A181-A185 VanDerWaalsContact O-N 3.1Å
182	H	97.9	Very high	94.6	Very high	62 Å²	62	46.6 Å²	46.6	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-48.2	176.2	-176.9	71.6	0	0	0	111.7	R178 V179 A184 A185 T186	R178-H182 VanDerWaalsContact O-CB 3.29Å; R178-H182 WeakPolarHBondContact O-CB 3.4Å; R178-H182 PolarHBondContact O-N 3.03Å; V179-H182 PolarHBondContact O-N 3.21Å; H182-A184 VanDerWaalsContact C-N 3.32Å; H182-A184 PolarHBondContact O-N 3.32Å; H182-A185 PolarHBondContact O-N 3.38Å; H182-A185 VanDerWaalsContact O-N 3.15Å; H182-T186 PolarHBondContact NE2-OG1 2.88Å; H182-T186 WeakPolarHBondContact O-CB 3.49Å; H182-T186 PolarHBondContact O-N 3.14Å; H182-T186 PolarHBondContact O-OG1 3.41Å
183	G	96	Very high	94.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-41.4	177.1	0	0	0	0	0	112.2	V179 A185 T186 L187 S188	V179-G183 PolarHBondContact O-N 3.46Å; G183-A185 VanDerWaalsContact C-N 3.3Å; G183-A185 PolarHBondContact O-N 3.41Å; G183-T186 PolarHBondContact O-N 3.48Å; G183-L187 CarbonylContact O-C 3.34Å; G183-L187 WeakPolarHBondContact O-CA 3.48Å; G183-L187 WeakPolarHBondContact O-CB 3.39Å; G183-L187 PolarHBondContact O-N 2.83Å; G183-S188 PolarHBondContact O-N 3.31Å
184	A	95.9	Very high	94.2	Very high	18 Å²	18	51.6 Å²	51.6	15%	0.149	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-39.8	175.1	0	0	0	0	0	112.4	W30 Q34 F180 H182 S188	W30-A184 HydrophobicContact CB-CB 4.04Å; Q34-A184 HydrophobicContact CB-CB 4.29Å; F180-A184 WeakPolarHBondContact O-CB 3.36Å; F180-A184 PolarHBondContact O-N 3.36Å; H182-A184 VanDerWaalsContact C-N 3.32Å; H182-A184 PolarHBondContact O-N 3.32Å; A184-S188 WeakPolarHBondContact CA-OG 3.38Å; A184-S188 WeakPolarHBondContact O-CB 3.37Å; A184-S188 PolarHBondContact O-OG 2.78Å
185	A	96.6	Very high	93.9	Very high	84 Å²	84	53.5 Å²	53.5	69%	0.694	32%	0.321	S	S	*	.	H	α-helix	trans	-80.4	-23.7	-178.3	0	0	0	0	0	114.7	A181 H182 G183	A181-A185 WeakPolarHBondContact O-CB 3.38Å; A181-A185 PolarHBondContact O-N 3.34Å; A181-A185 VanDerWaalsContact O-N 3.1Å; H182-A185 PolarHBondContact O-N 3.38Å; H182-A185 VanDerWaalsContact O-N 3.15Å; G183-A185 VanDerWaalsContact C-N 3.3Å; G183-A185 PolarHBondContact O-N 3.41Å
186	T	94.9	Very high	93.6	Very high	78 Å²	78	53.9 Å²	53.9	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-128.9	-19.2	-167.6	62.8	0	0	0	0	115.4	H182 G183	H182-T186 PolarHBondContact NE2-OG1 2.88Å; H182-T186 WeakPolarHBondContact O-CB 3.49Å; H182-T186 PolarHBondContact O-N 3.14Å; H182-T186 PolarHBondContact O-OG1 3.41Å; G183-T186 PolarHBondContact O-N 3.48Å
187	L	89.8	Confident	93.3	Very high	50 Å²	50	57.9 Å²	57.9	26%	0.262	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-9.3	-175.9	-52.5	178.8	0	0	0	112.8	W30 L82 G183	W30-L187 HydrophobicContact CH2-CD1 4.11Å; W30-L187 HydrophobicContact CZ2-CB 4.36Å; W30-L187 HydrophobicContact CZ2-CD1 3.71Å; L82-L187 HydrophobicContact CB-CD1 4.44Å; G183-L187 CarbonylContact O-C 3.34Å; G183-L187 WeakPolarHBondContact O-CA 3.48Å; G183-L187 WeakPolarHBondContact O-CB 3.39Å; G183-L187 PolarHBondContact O-N 2.83Å
188	S	82.1	Confident	92.8	Very high	52 Å²	52	61.9 Å²	61.9	36%	0.364	37%	0.37	S	S	.	.			trans	-71	132.6	169.4	-53.5	0	0	0	0	109.9	G183 A184	G183-S188 PolarHBondContact O-N 3.31Å; A184-S188 WeakPolarHBondContact CA-OG 3.38Å; A184-S188 WeakPolarHBondContact O-CB 3.37Å; A184-S188 PolarHBondContact O-OG 2.78Å
189	P	67.8	Low	92.3	Very high	194 Å²	194	52.5 Å²	52.5	100%	1.26	35%	0.347	S	S	*	.			trans	-68.8	0	177.3	29.2	-34.6	0	0	0	113.5

Retrieved 189 of 189 residues in 53.1 ms (Link to these results)

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