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Very-long-chain 3-oxoacyl-CoA reductase

Catalyzes the second of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme has a 3-ketoacyl-CoA reductase activity, reducing 3-ketoacyl-CoA to 3-hydroxyacyl-CoA, within each cycle of fatty acid elongation. Thereby, it may participate in the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators. May also catalyze the transformation of estrone (E1) into estradiol (E2) and play a role in estrogen formation.

AlphaFold DB (A0A096MMC0), UniProt , Accession A0A096N4Y8, Species PAPAN (Papio anubis, Olive baboon), Gene HSD17B12, Length 312 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	46.4	Very low	65.2	Low	248 Å²	248	120.3 Å²	120.3	100%	1.222	71%	0.709	S	S	*	*				0	79.5	0	-104.9	169.4	47.8	0	0	106.7
2	E	48.6	Very low	67.4	Low	192 Å²	192	122.8 Å²	122.8	90%	0.897	70%	0.699	S	S	*	*			trans	-96.9	140.1	-174.4	-88	179.5	148.1	0	0	111.6	A4	E2-A4 PolarHBondContact O-N 3.4Å
3	S	57.3	Low	69.5	Low	112 Å²	112	127.4 Å²	127.4	78%	0.783	70%	0.699	S	S	*	*			trans	-73.7	73.7	-168.3	52.9	0	0	0	0	113.9	L5	S3-L5 PolarHBondContact O-N 3.34Å
4	A	54.4	Low	71.2	Confident	95 Å²	95	123.1 Å²	123.1	79%	0.785	68%	0.678	S	S	*	*			trans	-89	53.5	176.1	0	0	0	0	0	113.4	E2	E2-A4 PolarHBondContact O-N 3.4Å
5	L	56.6	Low	72.8	Confident	149 Å²	149	117.1 Å²	117.1	78%	0.78	66%	0.656	S	S	*	*			trans	-141	13.2	-177.5	-91.1	165.1	0	0	0	120.1	S3	S3-L5 PolarHBondContact O-N 3.34Å
6	P	63.9	Low	74.2	Confident	104 Å²	104	112.1 Å²	112.1	68%	0.675	63%	0.633	S	S	*	*	S	Bend	trans	-86.6	-34.6	169.2	-6.1	22.4	0	0	0	114.2	F10	P6-F10 PolarHBondContact O-N 2.95Å
7	A	60.4	Low	75.4	Confident	65 Å²	65	107.9 Å²	107.9	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-73	-32	-171.1	0	0	0	0	0	113.5	F10 L11	A7-F10 PolarHBondContact O-N 2.96Å; A7-L11 WeakPolarHBondContact O-CG 3.31Å; A7-L11 PolarHBondContact O-N 3.13Å
8	A	68.1	Low	76.4	Confident	63 Å²	63	105.9 Å²	105.9	52%	0.521	61%	0.611	S	S	.	*	H	α-helix	trans	-67.6	-37.3	-179.7	0	0	0	0	0	112	Y12	A8-Y12 WeakPolarHBondContact O-CB 3.39Å; A8-Y12 PolarHBondContact O-N 3.25Å
9	G	83.9	Confident	77.4	Confident	35 Å²	35	105.6 Å²	105.6	36%	0.361	61%	0.611	S	S	.	*	H	α-helix	trans	-68.5	-40.7	175.3	0	0	0	0	0	112.6	Y12 W13	G9-Y12 PolarHBondContact O-N 3.37Å; G9-W13 PolarHBondContact O-N 2.97Å; G9-W13 VanDerWaalsContact O-N 3.1Å
10	F	85.6	Confident	78.3	Confident	143 Å²	143	103.3 Å²	103.3	63%	0.627	61%	0.605	S	S	*	*	H	α-helix	trans	-62.8	-50	175.8	176.5	-102.4	0	0	0	112.1	P6 A7 Y12 W13 V14	P6-F10 PolarHBondContact O-N 2.95Å; A7-F10 PolarHBondContact O-N 2.96Å; F10-Y12 VanDerWaalsContact C-N 3.28Å; F10-Y12 PolarHBondContact O-N 3.24Å; F10-W13 PolarHBondContact O-N 3.1Å; F10-V14 HydrophobicContact CD1-CG2 4.25Å; F10-V14 HydrophobicContact CD2-CG2 4.4Å; F10-V14 HydrophobicContact CE1-CG2 3.83Å; F10-V14 HydrophobicContact CE2-CG2 4Å; F10-V14 HydrophobicContact CZ-CG2 3.69Å; F10-V14 WeakPolarHBondContact O-CG2 3.4Å; F10-V14 PolarHBondContact O-N 3.13Å
11	L	91.5	Very high	79	Confident	117 Å²	117	105.2 Å²	105.2	61%	0.613	60%	0.603	S	S	*	*	H	α-helix	trans	-62.9	-35	178.5	-69.4	175.9	0	0	0	112.3	A7 G15	A7-L11 WeakPolarHBondContact O-CG 3.31Å; A7-L11 PolarHBondContact O-N 3.13Å; L11-G15 PolarHBondContact O-N 3.02Å
12	Y	92.6	Very high	81.2	Confident	151 Å²	151	97.1 Å²	97.1	59%	0.592	56%	0.564	S	S	*	*	H	α-helix	trans	-59.9	-50.5	172.7	173.3	-93.6	0	0	0	111.9	A8 G9 F10 V14 G15 A16	A8-Y12 WeakPolarHBondContact O-CB 3.39Å; A8-Y12 PolarHBondContact O-N 3.25Å; G9-Y12 PolarHBondContact O-N 3.37Å; F10-Y12 VanDerWaalsContact C-N 3.28Å; F10-Y12 PolarHBondContact O-N 3.24Å; Y12-V14 PolarHBondContact O-N 3.07Å; Y12-G15 PolarHBondContact O-N 3.34Å; Y12-A16 WeakPolarHBondContact O-CB 3.46Å; Y12-A16 PolarHBondContact O-N 3.3Å
13	W	93.8	Very high	83.3	Confident	182 Å²	182	90.3 Å²	90.3	69%	0.689	54%	0.541	S	S	*	.	H	α-helix	trans	-68	-34.9	-179.6	-73.5	116.2	0	0	0	113	G9 F10 G17	G9-W13 PolarHBondContact O-N 2.97Å; G9-W13 VanDerWaalsContact O-N 3.1Å; F10-W13 PolarHBondContact O-N 3.1Å; W13-G17 PolarHBondContact O-N 2.77Å
14	V	93.9	Very high	85	Confident	68 Å²	68	90.8 Å²	90.8	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-44.2	170.5	172	0	0	0	0	110.7	F10 Y12 T18	F10-V14 HydrophobicContact CD1-CG2 4.25Å; F10-V14 HydrophobicContact CD2-CG2 4.4Å; F10-V14 HydrophobicContact CE1-CG2 3.83Å; F10-V14 HydrophobicContact CE2-CG2 4Å; F10-V14 HydrophobicContact CZ-CG2 3.69Å; F10-V14 WeakPolarHBondContact O-CG2 3.4Å; F10-V14 PolarHBondContact O-N 3.13Å; Y12-V14 PolarHBondContact O-N 3.07Å; V14-T18 WeakPolarHBondContact O-CB 3.38Å; V14-T18 PolarHBondContact O-N 3.07Å; V14-T18 PolarHBondContact O-OG1 2.89Å
15	G	95.1	Very high	86.5	Confident	33 Å²	33	93.7 Å²	93.7	34%	0.34	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-50.5	175.8	0	0	0	0	0	112.3	L11 Y12 G17 T18 V19	L11-G15 PolarHBondContact O-N 3.02Å; Y12-G15 PolarHBondContact O-N 3.34Å; G15-G17 PolarHBondContact O-N 3.13Å; G15-T18 WeakPolarHBondContact O-CB 3.25Å; G15-T18 PolarHBondContact O-N 2.87Å; G15-V19 WeakPolarHBondContact O-CG2 3.4Å; G15-V19 PolarHBondContact O-N 3.48Å
16	A	94.7	Very high	88	Confident	36 Å²	36	91.4 Å²	91.4	30%	0.298	51%	0.512	S	S	.	.	H	α-helix	trans	-60.3	-44.7	178.1	0	0	0	0	0	111.9	Y12 T18 V19 A20	Y12-A16 WeakPolarHBondContact O-CB 3.46Å; Y12-A16 PolarHBondContact O-N 3.3Å; A16-T18 VanDerWaalsContact C-N 3.34Å; A16-T18 PolarHBondContact O-N 3.37Å; A16-V19 PolarHBondContact O-N 3.31Å; A16-A20 WeakPolarHBondContact O-CB 3.46Å; A16-A20 PolarHBondContact O-N 3.48Å
17	G	95.2	Very high	89.1	Confident	42 Å²	42	89.9 Å²	89.9	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-39.7	175.3	0	0	0	0	0	112.7	W13 G15 A20 Y21	W13-G17 PolarHBondContact O-N 2.77Å; G15-G17 PolarHBondContact O-N 3.13Å; G17-A20 PolarHBondContact O-N 3.23Å; G17-Y21 WeakPolarHBondContact O-CB 3.38Å; G17-Y21 PolarHBondContact O-N 3.02Å
18	T	93.8	Very high	90.3	Very high	71 Å²	71	94.4 Å²	94.4	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-46.8	175.6	-58.4	0	0	0	0	111.3	V14 G15 A16 Y21 L22	V14-T18 WeakPolarHBondContact O-CB 3.38Å; V14-T18 PolarHBondContact O-N 3.07Å; V14-T18 PolarHBondContact O-OG1 2.89Å; G15-T18 WeakPolarHBondContact O-CB 3.25Å; G15-T18 PolarHBondContact O-N 2.87Å; A16-T18 VanDerWaalsContact C-N 3.34Å; A16-T18 PolarHBondContact O-N 3.37Å; T18-Y21 PolarHBondContact O-N 2.82Å; T18-L22 HydrophobicContact CG2-CD1 4.09Å; T18-L22 HydrophobicContact CG2-CG 4.43Å; T18-L22 WeakPolarHBondContact O-CB 3.41Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.35Å; T18-L22 PolarHBondContact O-N 3.3Å
19	V	95.4	Very high	90.9	Very high	100 Å²	100	94.5 Å²	94.5	61%	0.606	51%	0.505	S	S	*	.	H	α-helix	trans	-61.8	-45	177.2	172.6	0	0	0	0	110.8	G15 A16 Y21 L22 A23	G15-V19 WeakPolarHBondContact O-CG2 3.4Å; G15-V19 PolarHBondContact O-N 3.48Å; A16-V19 PolarHBondContact O-N 3.31Å; V19-Y21 PolarHBondContact O-N 3.48Å; V19-L22 PolarHBondContact O-N 3.03Å; V19-A23 VanDerWaalsContact O-CB 3.31Å; V19-A23 WeakPolarHBondContact O-CB 3.39Å; V19-A23 PolarHBondContact O-N 3.4Å
20	A	94.7	Very high	91	Very high	60 Å²	60	98.2 Å²	98.2	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-43.9	177.3	0	0	0	0	0	112.1	A16 G17 A23 L24	A16-A20 WeakPolarHBondContact O-CB 3.46Å; A16-A20 PolarHBondContact O-N 3.48Å; G17-A20 PolarHBondContact O-N 3.23Å; A20-A23 PolarHBondContact O-N 3.39Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 PolarHBondContact O-N 3.43Å
21	Y	93.1	Very high	91	Very high	143 Å²	143	97.4 Å²	97.4	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-61.9	-45.6	175.5	171.1	-106.6	0	0	0	112.2	G17 T18 V19 L24 R25	G17-Y21 WeakPolarHBondContact O-CB 3.38Å; G17-Y21 PolarHBondContact O-N 3.02Å; T18-Y21 PolarHBondContact O-N 2.82Å; V19-Y21 PolarHBondContact O-N 3.48Å; Y21-L24 PolarHBondContact O-N 3.05Å; Y21-R25 VanDerWaalsContact O-CB 3.3Å; Y21-R25 WeakPolarHBondContact O-CB 3.39Å; Y21-R25 PolarHBondContact O-N 3.31Å
22	L	92.2	Very high	90.5	Very high	78 Å²	78	93.4 Å²	93.4	41%	0.408	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177.5	-70.3	176.1	0	0	0	111.7	T18 V19 R25 I26	T18-L22 HydrophobicContact CG2-CD1 4.09Å; T18-L22 HydrophobicContact CG2-CG 4.43Å; T18-L22 WeakPolarHBondContact O-CB 3.41Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.35Å; T18-L22 PolarHBondContact O-N 3.3Å; V19-L22 PolarHBondContact O-N 3.03Å; L22-R25 PolarHBondContact O-N 2.96Å; L22-I26 WeakPolarHBondContact O-CB 3.15Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 2.75Å
23	A	92.4	Very high	90.1	Very high	49 Å²	49	88 Å²	88	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-59.6	-49.5	176	0	0	0	0	0	111	V19 A20 R25 I26 S27	V19-A23 VanDerWaalsContact O-CB 3.31Å; V19-A23 WeakPolarHBondContact O-CB 3.39Å; V19-A23 PolarHBondContact O-N 3.4Å; A20-A23 PolarHBondContact O-N 3.39Å; A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 3.41Å; A23-I26 PolarHBondContact O-N 3.27Å; A23-S27 WeakPolarHBondContact O-CB 3.1Å; A23-S27 PolarHBondContact O-N 3.07Å; A23-S27 PolarHBondContact O-OG 2.95Å; A23-S27 VanDerWaalsContact O-OG 3.07Å
24	L	92.8	Very high	89.7	Confident	123 Å²	123	85 Å²	85	64%	0.644	48%	0.477	S	S	*	.	H	α-helix	trans	-58.4	-45	176.8	-179.3	63.3	0	0	0	111.8	A20 Y21 S27 Y28	A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 PolarHBondContact O-N 3.43Å; Y21-L24 PolarHBondContact O-N 3.05Å; L24-S27 PolarHBondContact O-N 3.21Å; L24-Y28 VanDerWaalsContact O-CB 3.31Å; L24-Y28 WeakPolarHBondContact O-CB 3.24Å; L24-Y28 PolarHBondContact O-N 3.36Å
25	R	86.9	Confident	89.2	Confident	155 Å²	155	88.5 Å²	88.5	59%	0.585	48%	0.483	S	S	*	.	H	α-helix	trans	-62.7	-43.2	178.6	-172.4	-178.4	-178.3	-158.3	1.5	111.9	Y21 L22 A23 S29	Y21-R25 VanDerWaalsContact O-CB 3.3Å; Y21-R25 WeakPolarHBondContact O-CB 3.39Å; Y21-R25 PolarHBondContact O-N 3.31Å; L22-R25 PolarHBondContact O-N 2.96Å; A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 3.41Å; R25-S29 WeakPolarHBondContact O-CB 3.4Å; R25-S29 PolarHBondContact O-N 2.86Å
26	I	87.4	Confident	88.6	Confident	101 Å²	101	87.1 Å²	87.1	52%	0.518	47%	0.467	S	S	.	.	H	α-helix	trans	-65.7	-48.5	177	-69.3	165.3	0	0	0	110.1	L22 A23 Y28 S29 L30	L22-I26 WeakPolarHBondContact O-CB 3.15Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 2.75Å; A23-I26 PolarHBondContact O-N 3.27Å; I26-Y28 VanDerWaalsContact C-N 3.34Å; I26-Y28 PolarHBondContact O-N 3.22Å; I26-S29 WeakPolarHBondContact O-CB 3.36Å; I26-S29 PolarHBondContact O-N 3.45Å; I26-S29 VanDerWaalsContact O-N 3.15Å; I26-L30 HydrophobicContact CG2-CD1 3.89Å; I26-L30 HydrophobicContact CG2-CG 4.28Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.4Å
27	S	88.6	Confident	88.1	Confident	72 Å²	72	88.5 Å²	88.5	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-58.4	-44.5	177.6	-64.6	0	0	0	0	111.9	A23 L24 L30 F31	A23-S27 WeakPolarHBondContact O-CB 3.1Å; A23-S27 PolarHBondContact O-N 3.07Å; A23-S27 PolarHBondContact O-OG 2.95Å; A23-S27 VanDerWaalsContact O-OG 3.07Å; L24-S27 PolarHBondContact O-N 3.21Å; S27-L30 PolarHBondContact O-N 3.12Å; S27-F31 WeakPolarHBondContact O-CB 3.4Å; S27-F31 PolarHBondContact O-N 3.46Å
28	Y	85.5	Confident	87.3	Confident	161 Å²	161	89.2 Å²	89.2	63%	0.631	47%	0.473	S	S	*	.	H	α-helix	trans	-63	-41.6	175.1	178.7	-100.5	0	0	0	112.3	L24 I26 F31 T32	L24-Y28 VanDerWaalsContact O-CB 3.31Å; L24-Y28 WeakPolarHBondContact O-CB 3.24Å; L24-Y28 PolarHBondContact O-N 3.36Å; I26-Y28 VanDerWaalsContact C-N 3.34Å; I26-Y28 PolarHBondContact O-N 3.22Å; Y28-F31 PolarHBondContact O-N 2.97Å; Y28-T32 WeakPolarHBondContact O-CB 3.34Å; Y28-T32 PolarHBondContact O-N 3.06Å; Y28-T32 PolarHBondContact O-OG1 3.26Å
29	S	80.8	Confident	86.6	Confident	65 Å²	65	91.6 Å²	91.6	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.7	-171.7	0	0	0	0	111.8	R25 I26 T32 A33	R25-S29 WeakPolarHBondContact O-CB 3.4Å; R25-S29 PolarHBondContact O-N 2.86Å; I26-S29 WeakPolarHBondContact O-CB 3.36Å; I26-S29 PolarHBondContact O-N 3.45Å; I26-S29 VanDerWaalsContact O-N 3.15Å; S29-T32 PolarHBondContact O-N 3.1Å; S29-A33 WeakPolarHBondContact O-CB 3.36Å; S29-A33 PolarHBondContact O-N 3.14Å
30	L	84.4	Confident	85.6	Confident	113 Å²	113	87.5 Å²	87.5	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-65.8	-43.4	177.5	-72.3	173	0	0	0	111.5	I26 S27 A33 L34	I26-L30 HydrophobicContact CG2-CD1 3.89Å; I26-L30 HydrophobicContact CG2-CG 4.28Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.4Å; S27-L30 PolarHBondContact O-N 3.12Å; L30-A33 PolarHBondContact O-N 3.33Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 PolarHBondContact O-N 2.99Å
31	F	85.6	Confident	84.8	Confident	125 Å²	125	86.7 Å²	86.7	55%	0.548	45%	0.452	S	S	.	.	H	α-helix	trans	-61.4	-45.3	175.3	175.4	-99.8	0	0	0	111.6	S27 Y28 A33 L34 R35	S27-F31 WeakPolarHBondContact O-CB 3.4Å; S27-F31 PolarHBondContact O-N 3.46Å; Y28-F31 PolarHBondContact O-N 2.97Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 3.38Å; F31-L34 PolarHBondContact O-N 3.47Å; F31-R35 WeakPolarHBondContact O-CB 3.43Å; F31-R35 PolarHBondContact O-N 3.46Å
32	T	82.1	Confident	83.6	Confident	33 Å²	33	85.1 Å²	85.1	20%	0.202	45%	0.45	C	S	.	.	H	α-helix	trans	-62.7	-43	176.9	-58.3	0	0	0	0	110.7	Y28 S29 R35 V36	Y28-T32 WeakPolarHBondContact O-CB 3.34Å; Y28-T32 PolarHBondContact O-N 3.06Å; Y28-T32 PolarHBondContact O-OG1 3.26Å; S29-T32 PolarHBondContact O-N 3.1Å; T32-R35 PolarHBondContact O-N 3.18Å; T32-V36 HydrophobicContact CG2-CG2 4.25Å; T32-V36 WeakPolarHBondContact O-CB 3.42Å; T32-V36 WeakPolarHBondContact O-CG2 3.31Å; T32-V36 PolarHBondContact O-N 2.92Å
33	A	83	Confident	82.2	Confident	39 Å²	39	86.4 Å²	86.4	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-62.3	-44.8	176.1	0	0	0	0	0	111.8	S29 L30 F31 V36 W37	S29-A33 WeakPolarHBondContact O-CB 3.36Å; S29-A33 PolarHBondContact O-N 3.14Å; L30-A33 PolarHBondContact O-N 3.33Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 3.38Å; A33-V36 PolarHBondContact O-N 3.49Å; A33-W37 VanDerWaalsContact O-CB 3.31Å; A33-W37 WeakPolarHBondContact O-CB 3.34Å; A33-W37 VanDerWaalsContact O-CD1 3.23Å; A33-W37 PolarHBondContact O-N 3.43Å
34	L	85.3	Confident	81.6	Confident	119 Å²	119	85.6 Å²	85.6	62%	0.623	47%	0.469	S	S	*	.	I	π-helix	trans	-61.9	-44.4	176.3	-177.2	68.2	0	0	0	111.6	L30 F31 G38 V39	L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 PolarHBondContact O-N 2.99Å; F31-L34 PolarHBondContact O-N 3.47Å; L34-G38 WeakPolarHBondContact O-CA 3.47Å; L34-G38 PolarHBondContact O-N 2.88Å; L34-V39 PolarHBondContact O-N 2.86Å
35	R	83.4	Confident	81.6	Confident	141 Å²	141	80 Å²	80	53%	0.532	44%	0.44	S	S	.	.	I	π-helix	trans	-61.9	-46.5	177.4	-176.7	-179.3	177.1	-174.9	-0.3	111.8	F31 T32 V39 G40	F31-R35 WeakPolarHBondContact O-CB 3.43Å; F31-R35 PolarHBondContact O-N 3.46Å; T32-R35 PolarHBondContact O-N 3.18Å; R35-V39 WeakPolarHBondContact O-CB 3.47Å; R35-V39 PolarHBondContact O-N 2.74Å; R35-G40 PolarHBondContact O-N 2.8Å
36	V	84.4	Confident	82	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.018	42%	0.416	C	S	.	.	I	π-helix	trans	-74.4	-44.7	-175.7	174.7	0	0	0	0	112	T32 A33 G40 T262 L265 Q266	T32-V36 HydrophobicContact CG2-CG2 4.25Å; T32-V36 WeakPolarHBondContact O-CB 3.42Å; T32-V36 WeakPolarHBondContact O-CG2 3.31Å; T32-V36 PolarHBondContact O-N 2.92Å; A33-V36 PolarHBondContact O-N 3.49Å; V36-G40 VanDerWaalsContact O-CA 3.3Å; V36-G40 WeakPolarHBondContact O-CA 3.3Å; V36-G40 PolarHBondContact O-N 3.47Å; V36-T262 HydrophobicContact CG1-CG2 3.83Å; V36-L265 HydrophobicContact CG2-CB 4.09Å; V36-L265 HydrophobicContact CG2-CD1 4.29Å; V36-Q266 HydrophobicContact CG1-CG 4.38Å; V36-Q266 HydrophobicContact CG2-CG 3.67Å
37	W	83.4	Confident	82.3	Confident	65 Å²	65	71 Å²	71	25%	0.246	41%	0.41	C	S	.	.	I	π-helix	trans	-100.5	-24.7	-170.4	-57.9	108.3	0	0	0	113.8	A33 S258 T262 L273 V276	A33-W37 VanDerWaalsContact O-CB 3.31Å; A33-W37 WeakPolarHBondContact O-CB 3.34Å; A33-W37 VanDerWaalsContact O-CD1 3.23Å; A33-W37 PolarHBondContact O-N 3.43Å; W37-S258 VanDerWaalsContact CZ3-OG 3.26Å; W37-S258 WeakPolarHBondContact CZ3-OG 3.29Å; W37-T262 HydrophobicContact CH2-CG2 3.8Å; W37-T262 HydrophobicContact CZ2-CG2 4.24Å; W37-T262 HydrophobicContact CZ3-CG2 4.2Å; W37-L273 HydrophobicContact CD2-CB 4.27Å; W37-L273 HydrophobicContact CD2-CD1 4.04Å; W37-L273 HydrophobicContact CE3-CB 4.2Å; W37-L273 HydrophobicContact CG-CD1 3.93Å; W37-L273 HydrophobicContact CZ3-CB 4.42Å; W37-V276 HydrophobicContact CZ2-CG2 3.64Å
38	G	78.8	Confident	82.7	Confident	58 Å²	58	70.7 Å²	70.7	60%	0.598	42%	0.417	S	S	*	.	I	π-helix	trans	-87.9	-43.5	176.2	0	0	0	0	0	113	L34	L34-G38 WeakPolarHBondContact O-CA 3.47Å; L34-G38 PolarHBondContact O-N 2.88Å
39	V	78.5	Confident	83.2	Confident	121 Å²	121	64.8 Å²	64.8	73%	0.733	40%	0.396	S	S	*	.	I	π-helix	trans	-98.6	-46.9	-179.2	-173.5	0	0	0	0	111.5	L34 R35	L34-V39 PolarHBondContact O-N 2.86Å; R35-V39 WeakPolarHBondContact O-CB 3.47Å; R35-V39 PolarHBondContact O-N 2.74Å
40	G	74.1	Confident	83.9	Confident	14 Å²	14	61.7 Å²	61.7	14%	0.144	38%	0.375	C	S	.	.			trans	67.5	-178.9	-176.5	0	0	0	0	0	113.4	R35 V36	R35-G40 PolarHBondContact O-N 2.8Å; V36-G40 VanDerWaalsContact O-CA 3.3Å; V36-G40 WeakPolarHBondContact O-CA 3.3Å; V36-G40 PolarHBondContact O-N 3.47Å
41	N	78.3	Confident	84.6	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	37%	0.367	C	S	.	.			trans	-127	56.5	175.5	-171.8	29.8	0	0	0	111.7	A43 G44 K261 V263 L265	N41-A43 PolarHBondContact O-N 3.32Å; N41-G44 PolarHBondContact O-N 2.99Å; N41-G44 PolarHBondContact OD1-N 3.45Å; N41-K261 PolarHBondContact N-O 2.89Å; N41-V263 WeakPolarHBondContact CB-O 3.43Å; N41-V263 PolarHBondContact ND2-O 3.2Å; N41-L265 HydrophobicContact CB-CD1 3.76Å; N41-L265 HydrophobicContact CB-CD2 4.07Å; N41-L265 HydrophobicContact CB-CG 3.64Å
42	E	67.4	Low	85.2	Confident	109 Å²	109	55.1 Å²	55.1	51%	0.509	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-64.2	-29.3	-177.4	-71.9	-170	178.3	0	0	113.1	R73 K261	E42-R73 PolarHBondContact O-NH1 2.91Å; E42-K261 HydrophobicContact CG-CD 4.4Å; E42-K261 HydrophobicContact CG-CG 4.21Å; E42-K261 WeakPolarHBondContact OE1-CE 3.47Å; E42-K261 IonicContact OE1-NZ 3.65Å; E42-K261 PolarHBondContact OE1-NZ 3.23Å
43	A	63.6	Low	86	Confident	105 Å²	105	53.5 Å²	53.5	87%	0.868	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-80	-18.4	-178.1	0	0	0	0	0	114.5	N41	N41-A43 PolarHBondContact O-N 3.32Å
44	G	79.3	Confident	86.8	Confident	33 Å²	33	51.7 Å²	51.7	34%	0.34	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-84.4	-7.4	-172.2	0	0	0	0	0	115.9	N41	N41-G44 PolarHBondContact O-N 2.99Å; N41-G44 PolarHBondContact OD1-N 3.45Å
45	V	92.5	Very high	87.4	Confident	6 Å²	6	46 Å²	46	4%	0.036	29%	0.288	C	S	.	.	S	Bend	trans	-119	112.9	-174.8	-175.6	0	0	0	0	110.5	L70 R73 I129 I260 V263	V45-L70 HydrophobicContact CG1-CD2 3.79Å; V45-R73 PolarHBondContact O-NH1 3.35Å; V45-I129 HydrophobicContact CG1-CD1 3.54Å; V45-I260 HydrophobicContact CB-CG1 4.42Å; V45-I260 HydrophobicContact CG1-CD1 3.95Å; V45-I260 HydrophobicContact CG1-CG1 3.97Å; V45-I260 HydrophobicContact CG2-CG1 4.36Å; V45-V263 HydrophobicContact CG2-CB 3.64Å; V45-V263 HydrophobicContact CG2-CG1 3.71Å; V45-V263 HydrophobicContact CG2-CG2 4.33Å
46	G	94.8	Very high	88.1	Confident	9 Å²	9	39.3 Å²	39.3	9%	0.093	26%	0.262	C	S	.	.	S	Bend	trans	166.1	-163.6	178.6	0	0	0	0	0	113.3	G48 L49	G46-G48 PolarHBondContact O-N 2.74Å; G46-L49 PolarHBondContact O-N 2.92Å; G46-L49 VanDerWaalsContact O-N 3.13Å
47	P	95.6	Very high	88.8	Confident	58 Å²	58	39.8 Å²	39.8	38%	0.377	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58.1	-19.5	-175.2	-28	36	0	0	0	115.6	L49 G50 R73 G74 M75	P47-L49 PolarHBondContact O-N 3.43Å; P47-G50 WeakPolarHBondContact CA-O 3.31Å; P47-G50 CarbonylContact O-C 3.53Å; P47-G50 WeakPolarHBondContact O-CA 3.33Å; P47-G50 PolarHBondContact O-N 2.93Å; P47-R73 VanDerWaalsContact CD-O 3.24Å; P47-R73 WeakPolarHBondContact CD-O 3.21Å; P47-G74 WeakPolarHBondContact CG-O 3.43Å; P47-M75 HydrophobicContact CG-CG 4.14Å
48	G	95.1	Very high	89.3	Confident	64 Å²	64	36.7 Å²	36.7	66%	0.66	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-58	-30.4	174.9	0	0	0	0	0	113.6	G46 G50 K181	G46-G48 PolarHBondContact O-N 2.74Å; G48-G50 VanDerWaalsContact C-N 3.31Å; G48-K181 WeakPolarHBondContact O-CD 3.48Å; G48-K181 PolarHBondContact O-NZ 2.89Å
49	L	96.2	Very high	90.2	Very high	38 Å²	38	35 Å²	35	20%	0.199	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-77.9	-17	175.5	-65.1	174.7	0	0	0	113	G46 P47 G128 I129 A183	G46-L49 PolarHBondContact O-N 2.92Å; G46-L49 VanDerWaalsContact O-N 3.13Å; P47-L49 PolarHBondContact O-N 3.43Å; L49-G128 WeakPolarHBondContact O-CA 3.33Å; L49-I129 HydrophobicContact CD1-CD1 4.04Å; L49-I129 HydrophobicContact CD1-CG1 4.08Å; L49-A183 HydrophobicContact CD1-CB 4.16Å
50	G	97	Very high	90.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	22%	0.215	C	C	.	.			trans	143.2	150.3	-174.2	0	0	0	0	0	110.1	P47 G48 W52 M75 E126	P47-G50 WeakPolarHBondContact CA-O 3.31Å; P47-G50 CarbonylContact O-C 3.53Å; P47-G50 WeakPolarHBondContact O-CA 3.33Å; P47-G50 PolarHBondContact O-N 2.93Å; G48-G50 VanDerWaalsContact C-N 3.31Å; G50-W52 VanDerWaalsContact C-N 3.29Å; G50-W52 PolarHBondContact O-N 3.32Å; G50-M75 WeakPolarHBondContact O-CE 3.48Å; G50-E126 CarbonylContact C-O 3.56Å; G50-E126 WeakPolarHBondContact CA-OE1 3.38Å
51	E	97.8	Very high	92	Very high	92 Å²	92	32 Å²	32	43%	0.43	21%	0.214	S	C	.	.	S	Bend	trans	-66.3	-30.2	-171.8	-61.2	-168.1	163.8	0	0	113.8	K76 E126	E51-K76 HydrophobicContact CB-CD 4.42Å; E51-K76 PolarHBondContact O-N 2.91Å; E51-K76 IonicContact OE2-NZ 3.27Å; E51-K76 PolarHBondContact OE2-NZ 2.84Å; E51-E126 PolarHBondContact N-O 3.28Å; E51-E126 VanDerWaalsContact N-O 3.15Å
52	W	98.8	Very high	93	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.5	-170.9	-69.6	85.8	0	0	0	113.2	G50 K76 V78 E101 R103 L125 E126 I127 G128 I129	G50-W52 VanDerWaalsContact C-N 3.29Å; G50-W52 PolarHBondContact O-N 3.32Å; W52-K76 CarbonylContact C-O 3.59Å; W52-K76 WeakPolarHBondContact CA-O 3.09Å; W52-K76 HydrophobicContact CD2-CB 3.48Å; W52-K76 VanDerWaalsContact CD2-CB 3.48Å; W52-K76 HydrophobicContact CD2-CD 4.13Å; W52-K76 HydrophobicContact CD2-CG 4.45Å; W52-K76 VanDerWaalsContact CE2-CD 3.45Å; W52-K76 HydrophobicContact CE3-CB 3.44Å; W52-K76 VanDerWaalsContact CE3-CB 3.44Å; W52-K76 HydrophobicContact CG-CB 4.11Å; W52-K76 HydrophobicContact CH2-CB 3.88Å; W52-K76 HydrophobicContact CH2-CD 4.2Å; W52-K76 HydrophobicContact CZ2-CB 3.91Å; W52-K76 HydrophobicContact CZ2-CD 3.52Å; W52-K76 HydrophobicContact CZ2-CG 4.31Å; W52-K76 HydrophobicContact CZ3-CB 3.66Å; W52-V78 HydrophobicContact CD2-CG2 4.36Å; W52-V78 HydrophobicContact CE3-CG2 3.5Å; W52-V78 HydrophobicContact CZ3-CG2 3.92Å; W52-E101 HydrophobicContact CH2-CB 4.06Å; W52-E101 VanDerWaalsContact CH2-CD 3.41Å; W52-E101 HydrophobicContact CH2-CG 3.71Å; W52-E101 VanDerWaalsContact CH2-OE1 3.25Å; W52-E101 WeakPolarHBondContact CH2-OE1 3.43Å; W52-E101 HydrophobicContact CZ2-CB 4.46Å; W52-E101 VanDerWaalsContact CZ2-CD 3.43Å; W52-E101 HydrophobicContact CZ2-CG 4.19Å; W52-E101 VanDerWaalsContact CZ2-OE1 3.31Å; W52-E101 WeakPolarHBondContact CZ2-OE1 3.47Å; W52-R103 HydrophobicContact CH2-CB 4.46Å; W52-R103 HydrophobicContact CH2-CG 3.63Å; W52-R103 HydrophobicContact CZ3-CB 4.16Å; W52-R103 HydrophobicContact CZ3-CG 3.83Å; W52-L125 HydrophobicContact CD2-CD1 4.06Å; W52-L125 HydrophobicContact CD2-CD2 4.08Å; W52-L125 HydrophobicContact CE3-CD1 4.29Å; W52-L125 HydrophobicContact CG-CB 4.14Å; W52-L125 HydrophobicContact CG-CD1 4.29Å; W52-L125 HydrophobicContact CG-CD2 4.29Å; W52-L125 HydrophobicContact CG-CG 4.48Å; W52-L125 HydrophobicContact CZ2-CD2 3.96Å; W52-E126 PolarHBondContact N-O 2.98Å; W52-I127 HydrophobicContact CB-CG1 4.49Å; W52-I127 CarbonylContact O-C 3.51Å; W52-I127 WeakPolarHBondContact O-CA 3.43Å; W52-G128 PolarHBondContact O-N 2.92Å; W52-I129 PolarHBondContact O-N 3.22Å
53	A	98.8	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.3	163.4	0	0	0	0	0	110.2	L70 M75 K76 V77 V78 I129	A53-L70 HydrophobicContact CB-CB 4.18Å; A53-L70 HydrophobicContact CB-CD1 3.7Å; A53-L70 HydrophobicContact CB-CG 4.44Å; A53-M75 HydrophobicContact CB-CB 4.37Å; A53-M75 HydrophobicContact CB-CE 4.06Å; A53-M75 HydrophobicContact CB-SD 4.11Å; A53-K76 PolarHBondContact N-O 3.33Å; A53-V77 CarbonylContact O-C 3.53Å; A53-V77 WeakPolarHBondContact O-CA 3.49Å; A53-V78 PolarHBondContact O-N 3.48Å; A53-I129 CarbonylContact C-O 3.53Å; A53-I129 VanDerWaalsContact CA-O 3.29Å; A53-I129 WeakPolarHBondContact CA-O 3.42Å; A53-I129 HydrophobicContact CB-CB 4.31Å
54	V	98.9	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.2	173.1	179.4	0	0	0	0	108.9	V78 I80 L122 I127 I129 L130 V131 M168	V54-V78 HydrophobicContact CG2-CB 4.09Å; V54-V78 HydrophobicContact CG2-CG2 4.17Å; V54-I80 HydrophobicContact CG1-CD1 3.68Å; V54-I80 HydrophobicContact CG1-CG1 4.23Å; V54-L122 HydrophobicContact CG1-CD2 4.35Å; V54-L122 HydrophobicContact CG2-CD1 4.47Å; V54-L122 HydrophobicContact CG2-CD2 3.64Å; V54-I127 HydrophobicContact CB-CG2 4.4Å; V54-I127 HydrophobicContact CG2-CB 4.46Å; V54-I127 HydrophobicContact CG2-CD1 3.84Å; V54-I127 HydrophobicContact CG2-CG1 3.91Å; V54-I127 HydrophobicContact CG2-CG2 3.69Å; V54-I129 PolarHBondContact N-O 3.19Å; V54-L130 HydrophobicContact CB-CD1 3.98Å; V54-L130 HydrophobicContact CG1-CD1 3.92Å; V54-L130 CarbonylContact O-C 3.41Å; V54-V131 PolarHBondContact O-N 2.61Å; V54-M168 HydrophobicContact CG1-CE 3.94Å
55	V	98.9	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.8	-177.9	-174.6	0	0	0	0	110.7	G63 A67 L70 V77 V78 I80 V131	V55-G63 WeakPolarHBondContact CG1-O 3.12Å; V55-A67 HydrophobicContact CB-CB 4.48Å; V55-A67 HydrophobicContact CG2-CB 4.19Å; V55-L70 HydrophobicContact CG2-CD1 4.33Å; V55-V77 HydrophobicContact CG2-CG1 4.25Å; V55-V78 PolarHBondContact N-O 3.32Å; V55-I80 PolarHBondContact O-N 2.75Å; V55-V131 HydrophobicContact CB-CB 4.43Å; V55-V131 HydrophobicContact CG1-CB 4.17Å; V55-V131 HydrophobicContact CG1-CG1 4.41Å; V55-V131 HydrophobicContact CG2-CB 4.15Å; V55-V131 HydrophobicContact CG2-CG2 4.14Å
56	T	98.7	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.3	174.5	69.8	0	0	0	0	111.4	G58 I80 F109 V131 N133 V134 M168	T56-G58 VanDerWaalsContact C-N 3.27Å; T56-G58 PolarHBondContact O-N 3.35Å; T56-I80 CarbonylContact C-O 3.58Å; T56-F109 HydrophobicContact CG2-CE2 4.41Å; T56-F109 HydrophobicContact CG2-CZ 3.85Å; T56-V131 PolarHBondContact N-O 3.13Å; T56-V131 PolarHBondContact OG1-O 3.38Å; T56-N133 VanDerWaalsContact O-CB 3.26Å; T56-N133 WeakPolarHBondContact O-CB 3.25Å; T56-N133 PolarHBondContact O-ND2 3.1Å; T56-N133 PolarHBondContact OG1-N 2.84Å; T56-V134 PolarHBondContact O-N 3.05Å; T56-V134 PolarHBondContact OG1-N 2.91Å; T56-M168 HydrophobicContact CG2-CE 4.05Å; T56-M168 HydrophobicContact CG2-CG 4.03Å; T56-M168 HydrophobicContact CG2-SD 4.33Å
57	G	97.4	Very high	97.5	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	32.7	-169.4	0	0	0	0	0	112.8	T59 I80 N133	G57-T59 PolarHBondContact O-N 3.35Å; G57-T59 VanDerWaalsContact O-N 3.12Å; G57-I80 WeakPolarHBondContact CA-O 3.44Å; G57-I80 PolarHBondContact N-O 2.87Å; G57-N133 PolarHBondContact O-ND2 2.81Å
58	G	95.7	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	4.2	-170.7	0	0	0	0	0	116.6	T56 K64 I80	T56-G58 VanDerWaalsContact C-N 3.27Å; T56-G58 PolarHBondContact O-N 3.35Å; G58-K64 WeakPolarHBondContact O-CA 3.46Å; G58-I80 PolarHBondContact N-O 2.85Å
59	T	96.3	Very high	97.8	Very high	22 Å²	22	17.8 Å²	17.8	14%	0.135	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-8.1	-173.7	53.7	0	0	0	0	114.7	G57 S81 K86 L87	G57-T59 PolarHBondContact O-N 3.35Å; G57-T59 VanDerWaalsContact O-N 3.12Å; T59-S81 VanDerWaalsContact CG2-CB 3.45Å; T59-S81 PolarHBondContact OG1-OG 3.41Å; T59-K86 HydrophobicContact CG2-CB 4.03Å; T59-L87 HydrophobicContact CG2-CB 4.34Å; T59-L87 HydrophobicContact CG2-CD2 3.57Å; T59-L87 HydrophobicContact CG2-CG 3.72Å
60	D	94.8	Very high	97.9	Very high	62 Å²	62	16 Å²	16	33%	0.332	9%	0.085	S	C	.	.	S	Bend	trans	-155.3	165.2	-179.3	-153.4	-16.9	0	0	0	111.4	G63 K64 K238	D60-G63 PolarHBondContact O-N 3.43Å; D60-K64 PolarHBondContact O-N 2.87Å; D60-K64 VanDerWaalsContact O-N 3.16Å; D60-K238 IonicContact OD1-NZ 2.87Å; D60-K238 WeakPolarHBondContact OD2-CD 3.43Å; D60-K238 WeakPolarHBondContact OD2-CE 3.44Å; D60-K238 IonicContact OD2-NZ 3.19Å; D60-K238 PolarHBondContact OD2-NZ 3.32Å
61	G	96.5	Very high	97.9	Very high	11 Å²	11	16 Å²	16	11%	0.113	9%	0.085	C	C	.	.	H	α-helix	trans	51.8	-138.9	172	0	0	0	0	0	114.5	G63 K64 S65	G61-G63 VanDerWaalsContact C-N 3.29Å; G61-G63 PolarHBondContact O-N 3.39Å; G61-K64 PolarHBondContact O-N 3.42Å; G61-S65 PolarHBondContact O-N 3.45Å; G61-S65 VanDerWaalsContact O-N 3.1Å; G61-S65 PolarHBondContact O-OG 2.92Å
62	I	98	Very high	97.9	Very high	18 Å²	18	17.5 Å²	17.5	9%	0.092	9%	0.09	C	C	.	.	H	α-helix	trans	-58.7	-40.6	-175.8	-65.5	172.5	0	0	0	111.4	S65 Y66 P232 V235 T237 F255 V256	I62-S65 PolarHBondContact O-N 2.92Å; I62-Y66 HydrophobicContact CG2-CD2 3.62Å; I62-Y66 HydrophobicContact CG2-CE2 3.61Å; I62-Y66 WeakPolarHBondContact O-CD2 3.36Å; I62-Y66 PolarHBondContact O-N 3.28Å; I62-P232 HydrophobicContact CD1-CB 4.45Å; I62-P232 HydrophobicContact CD1-CG 4.29Å; I62-V235 HydrophobicContact CD1-CB 4.12Å; I62-V235 HydrophobicContact CD1-CG1 4.36Å; I62-V235 HydrophobicContact CD1-CG2 3.97Å; I62-V235 HydrophobicContact CG1-CB 4.38Å; I62-V235 HydrophobicContact CG1-CG1 4.08Å; I62-T237 HydrophobicContact CG1-CG2 4.35Å; I62-F255 HydrophobicContact CD1-CD1 4.35Å; I62-F255 HydrophobicContact CD1-CE1 4.35Å; I62-F255 HydrophobicContact CG1-CD1 4.3Å; I62-F255 HydrophobicContact CG2-CD1 4.43Å; I62-F255 HydrophobicContact CG2-CE1 4.37Å; I62-V256 HydrophobicContact CG2-CG2 4.09Å
63	G	98.2	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-50.2	178.4	0	0	0	0	0	112.5	V55 D60 G61 S65 Y66 A67 N133	V55-G63 WeakPolarHBondContact CG1-O 3.12Å; D60-G63 PolarHBondContact O-N 3.43Å; G61-G63 VanDerWaalsContact C-N 3.29Å; G61-G63 PolarHBondContact O-N 3.39Å; G63-S65 VanDerWaalsContact C-N 3.31Å; G63-S65 PolarHBondContact O-N 3.32Å; G63-Y66 PolarHBondContact O-N 3Å; G63-A67 PolarHBondContact O-N 2.84Å; G63-N133 VanDerWaalsContact CA-ND2 3.3Å; G63-N133 WeakPolarHBondContact CA-ND2 3.15Å; G63-N133 PolarHBondContact N-ND2 3.35Å; G63-N133 PolarHBondContact N-OD1 3.06Å
64	K	98.4	Very high	97.7	Very high	45 Å²	45	21.6 Å²	21.6	20%	0.196	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-45.1	175.3	178.3	174.7	176.2	171.2	0	111.3	G58 D60 G61 Y66 A67 E68 V90 E93	G58-K64 WeakPolarHBondContact O-CA 3.46Å; D60-K64 PolarHBondContact O-N 2.87Å; D60-K64 VanDerWaalsContact O-N 3.16Å; G61-K64 PolarHBondContact O-N 3.42Å; K64-Y66 PolarHBondContact O-N 2.94Å; K64-A67 WeakPolarHBondContact O-CB 3.23Å; K64-A67 PolarHBondContact O-N 3.25Å; K64-E68 WeakPolarHBondContact CE-OE1 3.32Å; K64-E68 IonicContact NZ-OE1 2.65Å; K64-E68 WeakPolarHBondContact O-CG 3.45Å; K64-E68 PolarHBondContact O-N 2.91Å; K64-V90 HydrophobicContact CD-CG1 4.27Å; K64-V90 HydrophobicContact CD-CG2 4.03Å; K64-V90 HydrophobicContact CG-CG1 4.09Å; K64-E93 IonicContact NZ-OE2 3.48Å; K64-E93 PolarHBondContact NZ-OE2 2.84Å
65	S	98.6	Very high	97.7	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-35.4	179.2	-60.1	0	0	0	0	113.3	G61 I62 G63 E69 P252 E253	G61-S65 PolarHBondContact O-N 3.45Å; G61-S65 VanDerWaalsContact O-N 3.1Å; G61-S65 PolarHBondContact O-OG 2.92Å; I62-S65 PolarHBondContact O-N 2.92Å; G63-S65 VanDerWaalsContact C-N 3.31Å; G63-S65 PolarHBondContact O-N 3.32Å; S65-E69 WeakPolarHBondContact O-CB 3.35Å; S65-E69 PolarHBondContact O-N 3.41Å; S65-P252 VanDerWaalsContact OG-C 3.27Å; S65-P252 WeakPolarHBondContact OG-CB 3.37Å; S65-E253 PolarHBondContact OG-N 3.44Å
66	Y	98.6	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-44	170.7	-91.7	-67.9	0	0	0	111.8	I62 G63 K64 E68 E69 L70 V131 L185 I187 V256 A259	I62-Y66 HydrophobicContact CG2-CD2 3.62Å; I62-Y66 HydrophobicContact CG2-CE2 3.61Å; I62-Y66 WeakPolarHBondContact O-CD2 3.36Å; I62-Y66 PolarHBondContact O-N 3.28Å; G63-Y66 PolarHBondContact O-N 3Å; K64-Y66 PolarHBondContact O-N 2.94Å; Y66-E68 VanDerWaalsContact C-N 3.35Å; Y66-E68 PolarHBondContact O-N 3Å; Y66-E69 PolarHBondContact O-N 3.15Å; Y66-L70 VanDerWaalsContact O-CB 3.29Å; Y66-L70 WeakPolarHBondContact O-CB 3.49Å; Y66-L70 WeakPolarHBondContact O-CD1 3.49Å; Y66-L70 WeakPolarHBondContact O-CG 3.47Å; Y66-L70 PolarHBondContact O-N 2.83Å; Y66-V131 HydrophobicContact CD1-CG2 4.43Å; Y66-V131 HydrophobicContact CD2-CG1 3.9Å; Y66-V131 HydrophobicContact CE2-CG1 4.42Å; Y66-V131 HydrophobicContact CG-CG1 4.01Å; Y66-V131 HydrophobicContact CG-CG2 4.4Å; Y66-L185 HydrophobicContact CD1-CD1 4.35Å; Y66-L185 HydrophobicContact CE1-CD1 3.82Å; Y66-I187 HydrophobicContact CD2-CD1 4.47Å; Y66-I187 HydrophobicContact CE2-CD1 3.68Å; Y66-V256 HydrophobicContact CD1-CG1 3.67Å; Y66-V256 HydrophobicContact CD1-CG2 4.45Å; Y66-V256 HydrophobicContact CD2-CG1 4.32Å; Y66-V256 HydrophobicContact CD2-CG2 3.62Å; Y66-V256 HydrophobicContact CE1-CG1 3.93Å; Y66-V256 HydrophobicContact CE2-CG2 3.75Å; Y66-V256 HydrophobicContact CG-CG1 3.87Å; Y66-V256 HydrophobicContact CG-CG2 3.99Å; Y66-A259 WeakPolarHBondContact OH-CB 3.43Å
67	A	98.8	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-46.5	176.4	0	0	0	0	0	111.9	V55 G63 K64 A71 V77 L79 I94	V55-A67 HydrophobicContact CB-CB 4.48Å; V55-A67 HydrophobicContact CG2-CB 4.19Å; G63-A67 PolarHBondContact O-N 2.84Å; K64-A67 WeakPolarHBondContact O-CB 3.23Å; K64-A67 PolarHBondContact O-N 3.25Å; A67-A71 VanDerWaalsContact O-CB 3.27Å; A67-A71 WeakPolarHBondContact O-CB 3.33Å; A67-A71 PolarHBondContact O-N 2.88Å; A67-V77 HydrophobicContact CB-CG1 3.92Å; A67-L79 HydrophobicContact CB-CD2 3.51Å; A67-I94 HydrophobicContact CB-CD1 3.8Å
68	E	98.6	Very high	97.8	Very high	30 Å²	30	23.6 Å²	23.6	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-44.5	177	-70.5	-174	-172.3	0	0	112.8	K64 Y66 L70 A71 K72 I94 K97 F98	K64-E68 WeakPolarHBondContact CE-OE1 3.32Å; K64-E68 IonicContact NZ-OE1 2.65Å; K64-E68 WeakPolarHBondContact O-CG 3.45Å; K64-E68 PolarHBondContact O-N 2.91Å; Y66-E68 VanDerWaalsContact C-N 3.35Å; Y66-E68 PolarHBondContact O-N 3Å; E68-L70 PolarHBondContact O-N 3.15Å; E68-A71 PolarHBondContact O-N 3.47Å; E68-K72 WeakPolarHBondContact O-CB 3.09Å; E68-K72 PolarHBondContact O-N 2.88Å; E68-I94 HydrophobicContact CG-CD1 4.33Å; E68-I94 HydrophobicContact CG-CG1 4.08Å; E68-K97 IonicContact OE2-NZ 2.68Å; E68-F98 HydrophobicContact CB-CE2 3.9Å; E68-F98 HydrophobicContact CB-CZ 4.16Å; E68-F98 HydrophobicContact CG-CE2 4.12Å
69	E	98	Very high	97.9	Very high	29 Å²	29	23.6 Å²	23.6	14%	0.136	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-33.3	-178.3	-173.3	63.9	-159.8	0	0	111.9	S65 Y66 R73 V256 I260	S65-E69 WeakPolarHBondContact O-CB 3.35Å; S65-E69 PolarHBondContact O-N 3.41Å; Y66-E69 PolarHBondContact O-N 3.15Å; E69-R73 WeakPolarHBondContact O-CD 3.3Å; E69-R73 WeakPolarHBondContact O-CG 3.39Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-R73 IonicContact OE1-NE 3.75Å; E69-V256 HydrophobicContact CB-CG1 3.84Å; E69-V256 HydrophobicContact CG-CG1 4.22Å; E69-I260 HydrophobicContact CB-CD1 4.36Å; E69-I260 HydrophobicContact CG-CD1 3.69Å; E69-I260 HydrophobicContact CG-CG2 4.04Å
70	L	98.4	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.5	-40.5	173.4	-69.1	170	0	0	0	111.9	V45 A53 V55 Y66 E68 K72 R73 G74 M75 I129 V131 I260	V45-L70 HydrophobicContact CG1-CD2 3.79Å; A53-L70 HydrophobicContact CB-CB 4.18Å; A53-L70 HydrophobicContact CB-CD1 3.7Å; A53-L70 HydrophobicContact CB-CG 4.44Å; V55-L70 HydrophobicContact CG2-CD1 4.33Å; Y66-L70 VanDerWaalsContact O-CB 3.29Å; Y66-L70 WeakPolarHBondContact O-CB 3.49Å; Y66-L70 WeakPolarHBondContact O-CD1 3.49Å; Y66-L70 WeakPolarHBondContact O-CG 3.47Å; Y66-L70 PolarHBondContact O-N 2.83Å; E68-L70 PolarHBondContact O-N 3.15Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 2.95Å; L70-R73 CarbonylContact O-C 3.54Å; L70-R73 WeakPolarHBondContact O-CA 3.21Å; L70-R73 WeakPolarHBondContact O-CB 3.31Å; L70-R73 PolarHBondContact O-N 3.44Å; L70-R73 VanDerWaalsContact O-N 3.1Å; L70-G74 PolarHBondContact O-N 2.9Å; L70-M75 HydrophobicContact CB-SD 4.5Å; L70-M75 HydrophobicContact CD2-SD 3.91Å; L70-M75 WeakPolarHBondContact O-CB 3.44Å; L70-M75 PolarHBondContact O-N 3.44Å; L70-I129 HydrophobicContact CD1-CG2 4.21Å; L70-I129 HydrophobicContact CD2-CD1 3.73Å; L70-V131 HydrophobicContact CD1-CG2 3.9Å; L70-I260 HydrophobicContact CD2-CD1 3.87Å; L70-I260 HydrophobicContact CG-CD1 4.35Å
71	A	98.5	Very high	98.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-42.6	172.5	0	0	0	0	0	112	A67 E68 R73 G74 V77 I94 F98 V100	A67-A71 VanDerWaalsContact O-CB 3.27Å; A67-A71 WeakPolarHBondContact O-CB 3.33Å; A67-A71 PolarHBondContact O-N 2.88Å; E68-A71 PolarHBondContact O-N 3.47Å; A71-R73 PolarHBondContact O-N 3.03Å; A71-G74 WeakPolarHBondContact O-CA 3.36Å; A71-G74 PolarHBondContact O-N 2.97Å; A71-V77 HydrophobicContact CB-CG2 3.97Å; A71-I94 HydrophobicContact CB-CG2 3.53Å; A71-F98 HydrophobicContact CB-CB 4.02Å; A71-F98 HydrophobicContact CB-CD2 3.65Å; A71-F98 HydrophobicContact CB-CE2 4.34Å; A71-F98 HydrophobicContact CB-CG 3.98Å; A71-V100 HydrophobicContact CB-CG2 3.67Å
72	K	97.6	Very high	98.1	Very high	124 Å²	124	27.9 Å²	27.9	54%	0.539	13%	0.131	S	C	.	.	H	α-helix	trans	-58.3	-27.8	174.2	-173.4	-177.9	172.5	-168.5	0	113	E68 L70 G74 F98	E68-K72 WeakPolarHBondContact O-CB 3.09Å; E68-K72 PolarHBondContact O-N 2.88Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 2.95Å; K72-G74 VanDerWaalsContact C-N 3.26Å; K72-F98 HydrophobicContact CB-CD1 3.8Å; K72-F98 HydrophobicContact CB-CE1 3.56Å; K72-F98 HydrophobicContact CB-CZ 4.2Å; K72-F98 HydrophobicContact CD-CE1 4.35Å; K72-F98 HydrophobicContact CG-CD1 4.21Å; K72-F98 HydrophobicContact CG-CE1 3.89Å
73	R	96.6	Very high	98.1	Very high	50 Å²	50	28.9 Å²	28.9	19%	0.189	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	7.3	175.6	-69	163.4	170.5	-85.2	-5.8	113.1	E42 V45 P47 E69 L70 A71	E42-R73 PolarHBondContact O-NH1 2.91Å; V45-R73 PolarHBondContact O-NH1 3.35Å; P47-R73 VanDerWaalsContact CD-O 3.24Å; P47-R73 WeakPolarHBondContact CD-O 3.21Å; E69-R73 WeakPolarHBondContact O-CD 3.3Å; E69-R73 WeakPolarHBondContact O-CG 3.39Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-R73 IonicContact OE1-NE 3.75Å; L70-R73 CarbonylContact O-C 3.54Å; L70-R73 WeakPolarHBondContact O-CA 3.21Å; L70-R73 WeakPolarHBondContact O-CB 3.31Å; L70-R73 PolarHBondContact O-N 3.44Å; L70-R73 VanDerWaalsContact O-N 3.1Å; A71-R73 PolarHBondContact O-N 3.03Å
74	G	97.3	Very high	98	Very high	42 Å²	42	32.2 Å²	32.2	43%	0.433	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	7.3	175.8	0	0	0	0	0	114.8	P47 L70 A71 K72	P47-G74 WeakPolarHBondContact CG-O 3.43Å; L70-G74 PolarHBondContact O-N 2.9Å; A71-G74 WeakPolarHBondContact O-CA 3.36Å; A71-G74 PolarHBondContact O-N 2.97Å; K72-G74 VanDerWaalsContact C-N 3.26Å
75	M	98.4	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.			trans	-78.7	142.7	175.5	-61.7	-169.9	80.8	0	0	111.2	P47 G50 A53 L70 I129	P47-M75 HydrophobicContact CG-CG 4.14Å; G50-M75 WeakPolarHBondContact O-CE 3.48Å; A53-M75 HydrophobicContact CB-CB 4.37Å; A53-M75 HydrophobicContact CB-CE 4.06Å; A53-M75 HydrophobicContact CB-SD 4.11Å; L70-M75 HydrophobicContact CB-SD 4.5Å; L70-M75 HydrophobicContact CD2-SD 3.91Å; L70-M75 WeakPolarHBondContact O-CB 3.44Å; L70-M75 PolarHBondContact O-N 3.44Å; M75-I129 HydrophobicContact CE-CB 4.15Å; M75-I129 HydrophobicContact CE-CD1 4.09Å; M75-I129 HydrophobicContact CE-CG1 3.83Å; M75-I129 HydrophobicContact SD-CB 4.46Å; M75-I129 HydrophobicContact SD-CD1 3.6Å; M75-I129 VanDerWaalsContact SD-CD1 3.6Å; M75-I129 HydrophobicContact SD-CG1 4.02Å
76	K	98.8	Very high	98	Very high	57 Å²	57	41 Å²	41	25%	0.248	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147.5	164.3	-56.8	174.7	-178.6	170.4	0	108.6	E51 W52 A53 E101	E51-K76 HydrophobicContact CB-CD 4.42Å; E51-K76 PolarHBondContact O-N 2.91Å; E51-K76 IonicContact OE2-NZ 3.27Å; E51-K76 PolarHBondContact OE2-NZ 2.84Å; W52-K76 CarbonylContact C-O 3.59Å; W52-K76 WeakPolarHBondContact CA-O 3.09Å; W52-K76 HydrophobicContact CD2-CB 3.48Å; W52-K76 VanDerWaalsContact CD2-CB 3.48Å; W52-K76 HydrophobicContact CD2-CD 4.13Å; W52-K76 HydrophobicContact CD2-CG 4.45Å; W52-K76 VanDerWaalsContact CE2-CD 3.45Å; W52-K76 HydrophobicContact CE3-CB 3.44Å; W52-K76 VanDerWaalsContact CE3-CB 3.44Å; W52-K76 HydrophobicContact CG-CB 4.11Å; W52-K76 HydrophobicContact CH2-CB 3.88Å; W52-K76 HydrophobicContact CH2-CD 4.2Å; W52-K76 HydrophobicContact CZ2-CB 3.91Å; W52-K76 HydrophobicContact CZ2-CD 3.52Å; W52-K76 HydrophobicContact CZ2-CG 4.31Å; W52-K76 HydrophobicContact CZ3-CB 3.66Å; A53-K76 PolarHBondContact N-O 3.33Å; K76-E101 CarbonylContact C-O 3.57Å; K76-E101 VanDerWaalsContact CA-O 3.23Å; K76-E101 WeakPolarHBondContact CA-O 3.39Å; K76-E101 HydrophobicContact CB-CB 4.21Å; K76-E101 WeakPolarHBondContact CB-O 3.47Å; K76-E101 HydrophobicContact CD-CB 3.94Å; K76-E101 HydrophobicContact CG-CB 3.84Å; K76-E101 IonicContact NZ-OE2 2.75Å
77	V	98.8	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.8	-172	-172.7	0	0	0	0	112.7	A53 V55 A67 A71 L79 E101 T102 R103	A53-V77 CarbonylContact O-C 3.53Å; A53-V77 WeakPolarHBondContact O-CA 3.49Å; V55-V77 HydrophobicContact CG2-CG1 4.25Å; A67-V77 HydrophobicContact CB-CG1 3.92Å; A71-V77 HydrophobicContact CB-CG2 3.97Å; V77-L79 HydrophobicContact CG1-CD2 3.87Å; V77-L79 HydrophobicContact CG1-CG 4.21Å; V77-E101 PolarHBondContact N-O 2.78Å; V77-T102 HydrophobicContact CB-CG2 4.34Å; V77-T102 CarbonylContact O-C 3.51Å; V77-T102 WeakPolarHBondContact O-CA 3.49Å; V77-T102 WeakPolarHBondContact O-CB 3.5Å; V77-R103 PolarHBondContact O-N 3.28Å
78	V	98.9	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.1	164.6	-170.6	0	0	0	0	109.1	W52 A53 V54 V55 I80 R103 I105 L122 L125	W52-V78 HydrophobicContact CD2-CG2 4.36Å; W52-V78 HydrophobicContact CE3-CG2 3.5Å; W52-V78 HydrophobicContact CZ3-CG2 3.92Å; A53-V78 PolarHBondContact O-N 3.48Å; V54-V78 HydrophobicContact CG2-CB 4.09Å; V54-V78 HydrophobicContact CG2-CG2 4.17Å; V55-V78 PolarHBondContact N-O 3.32Å; V78-I80 HydrophobicContact CG1-CG1 4.2Å; V78-R103 CarbonylContact C-O 3.57Å; V78-R103 WeakPolarHBondContact CA-O 3.48Å; V78-R103 HydrophobicContact CG1-CB 4.32Å; V78-R103 HydrophobicContact CG2-CB 4.27Å; V78-I105 HydrophobicContact CG1-CD1 3.75Å; V78-I105 HydrophobicContact CG1-CG1 4.03Å; V78-L122 HydrophobicContact CB-CD2 4.32Å; V78-L122 HydrophobicContact CG1-CD2 3.98Å; V78-L122 HydrophobicContact CG2-CD2 4.11Å; V78-L125 HydrophobicContact CG2-CD1 3.61Å
79	L	98.9	Very high	97.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.6	175.2	-60.8	169.7	0	0	0	109.5	A67 V77 L87 V90 I94 R103 T104 I105	A67-L79 HydrophobicContact CB-CD2 3.51Å; V77-L79 HydrophobicContact CG1-CD2 3.87Å; V77-L79 HydrophobicContact CG1-CG 4.21Å; L79-L87 HydrophobicContact CB-CD2 3.46Å; L79-L87 VanDerWaalsContact CB-CD2 3.46Å; L79-L87 WeakPolarHBondContact O-CD2 3.48Å; L79-V90 HydrophobicContact CD1-CB 4.25Å; L79-V90 HydrophobicContact CD1-CG1 3.9Å; L79-I94 HydrophobicContact CD1-CD1 4.35Å; L79-I94 HydrophobicContact CD2-CD1 4.33Å; L79-R103 PolarHBondContact N-O 2.98Å; L79-T104 WeakPolarHBondContact O-CA 3.32Å; L79-I105 PolarHBondContact O-N 3.44Å
80	I	98.7	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.3	175.5	-47.5	-172	0	0	0	108.8	V54 V55 T56 G57 G58 V78 I105 V107 F109 I118 M168	V54-I80 HydrophobicContact CG1-CD1 3.68Å; V54-I80 HydrophobicContact CG1-CG1 4.23Å; V55-I80 PolarHBondContact O-N 2.75Å; T56-I80 CarbonylContact C-O 3.58Å; G57-I80 WeakPolarHBondContact CA-O 3.44Å; G57-I80 PolarHBondContact N-O 2.87Å; G58-I80 PolarHBondContact N-O 2.85Å; V78-I80 HydrophobicContact CG1-CG1 4.2Å; I80-I105 WeakPolarHBondContact CA-O 3.32Å; I80-I105 HydrophobicContact CD1-CD1 4.24Å; I80-I105 HydrophobicContact CG1-CB 4.18Å; I80-I105 HydrophobicContact CG1-CD1 4.37Å; I80-I105 HydrophobicContact CG2-CB 4.35Å; I80-V107 HydrophobicContact CG2-CG2 3.34Å; I80-F109 HydrophobicContact CG2-CE2 3.69Å; I80-F109 HydrophobicContact CG2-CZ 3.89Å; I80-I118 HydrophobicContact CD1-CG2 3.89Å; I80-M168 HydrophobicContact CD1-CE 3.76Å
81	S	97.6	Very high	98	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	179.4	179.4	-164.8	0	0	0	0	110.7	T59 I105 A106 V107	T59-S81 VanDerWaalsContact CG2-CB 3.45Å; T59-S81 PolarHBondContact OG1-OG 3.41Å; S81-I105 PolarHBondContact N-O 3.31Å; S81-A106 CarbonylContact O-C 3.55Å; S81-A106 VanDerWaalsContact O-CA 3.26Å; S81-A106 WeakPolarHBondContact O-CA 3.31Å; S81-V107 CarbonylContact C-O 3.55Å; S81-V107 PolarHBondContact O-N 2.88Å; S81-V107 VanDerWaalsContact O-O 3.13Å
82	R	95.6	Very high	98	Very high	171 Å²	171	50.2 Å²	50.2	65%	0.645	25%	0.252	S	S	*	.	S	Bend	trans	-80.2	-39.6	-173.7	-71.3	179.3	-63.8	170.8	0.1	114.7	V107 D108	R82-V107 WeakPolarHBondContact CA-O 3.25Å; R82-V107 WeakPolarHBondContact CG-O 3.26Å; R82-D108 VanDerWaalsContact CD-OD1 3.24Å; R82-D108 WeakPolarHBondContact CD-OD1 3.45Å; R82-D108 HydrophobicContact CG-CB 4.14Å
83	S	96.2	Very high	98	Very high	39 Å²	39	47.4 Å²	47.4	27%	0.273	24%	0.241	S	C	.	.			trans	-102.6	118.1	-170.3	164.5	0	0	0	0	109.8	K86 L87	S83-K86 PolarHBondContact O-N 2.97Å; S83-K86 PolarHBondContact OG-N 3.27Å; S83-L87 WeakPolarHBondContact O-CG 3.21Å; S83-L87 PolarHBondContact O-N 2.66Å
84	Q	97.8	Very high	98.1	Very high	70 Å²	70	45 Å²	45	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-45.9	178.1	-170.6	63.1	53.4	0	0	111.2	K86 L87 D88 T104 A106	Q84-K86 VanDerWaalsContact C-N 3.3Å; Q84-K86 PolarHBondContact O-N 3.06Å; Q84-L87 CarbonylContact O-C 3.06Å; Q84-L87 WeakPolarHBondContact O-CA 3.39Å; Q84-L87 VanDerWaalsContact O-CB 3.29Å; Q84-L87 WeakPolarHBondContact O-CB 3.1Å; Q84-L87 PolarHBondContact O-N 3.3Å; Q84-D88 PolarHBondContact NE2-OD1 2.91Å; Q84-D88 PolarHBondContact NE2-OD2 2.84Å; Q84-D88 PolarHBondContact O-N 3.28Å; Q84-T104 PolarHBondContact NE2-OG1 3.33Å; Q84-T104 VanDerWaalsContact NE2-OG1 3.11Å; Q84-A106 HydrophobicContact CB-CB 4.23Å
85	D	97.8	Very high	98.1	Very high	129 Å²	129	47.5 Å²	47.5	69%	0.69	23%	0.23	S	C	*	.	H	α-helix	trans	-56.3	-42.8	179.3	-51.6	-18.6	0	0	0	112.9	D88 Q89	D85-D88 PolarHBondContact O-N 3.16Å; D85-Q89 WeakPolarHBondContact O-CB 3.46Å; D85-Q89 PolarHBondContact O-N 3.19Å
86	K	97.8	Very high	98.1	Very high	106 Å²	106	54 Å²	54	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-70.1	-35.4	176.6	-69.7	-178.7	-177.7	171.3	0	112.3	T59 S83 Q84 V90	T59-K86 HydrophobicContact CG2-CB 4.03Å; S83-K86 PolarHBondContact O-N 2.97Å; S83-K86 PolarHBondContact OG-N 3.27Å; Q84-K86 VanDerWaalsContact C-N 3.3Å; Q84-K86 PolarHBondContact O-N 3.06Å; K86-V90 WeakPolarHBondContact O-CG2 3.42Å; K86-V90 PolarHBondContact O-N 3.17Å
87	L	98.6	Very high	98.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-46.7	174.2	-79.5	166.6	0	0	0	110.3	T59 L79 S83 Q84 V90 S91 T104 A106	T59-L87 HydrophobicContact CG2-CB 4.34Å; T59-L87 HydrophobicContact CG2-CD2 3.57Å; T59-L87 HydrophobicContact CG2-CG 3.72Å; L79-L87 HydrophobicContact CB-CD2 3.46Å; L79-L87 VanDerWaalsContact CB-CD2 3.46Å; L79-L87 WeakPolarHBondContact O-CD2 3.48Å; S83-L87 WeakPolarHBondContact O-CG 3.21Å; S83-L87 PolarHBondContact O-N 2.66Å; Q84-L87 CarbonylContact O-C 3.06Å; Q84-L87 WeakPolarHBondContact O-CA 3.39Å; Q84-L87 VanDerWaalsContact O-CB 3.29Å; Q84-L87 WeakPolarHBondContact O-CB 3.1Å; Q84-L87 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.17Å; L87-S91 WeakPolarHBondContact O-CB 3.41Å; L87-S91 PolarHBondContact O-N 2.88Å; L87-T104 HydrophobicContact CB-CG2 3.79Å; L87-T104 HydrophobicContact CD2-CG2 4.39Å; L87-A106 HydrophobicContact CD1-CB 3.94Å
88	D	98.4	Very high	98	Very high	69 Å²	69	59.7 Å²	59.7	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-41.6	-179.6	-65.2	-20.2	0	0	0	111.3	Q84 D85 S91 S92	Q84-D88 PolarHBondContact NE2-OD1 2.91Å; Q84-D88 PolarHBondContact NE2-OD2 2.84Å; Q84-D88 PolarHBondContact O-N 3.28Å; D85-D88 PolarHBondContact O-N 3.16Å; D88-S91 PolarHBondContact O-N 3.29Å; D88-S92 WeakPolarHBondContact O-CB 3.45Å; D88-S92 PolarHBondContact O-N 2.96Å; D88-S92 PolarHBondContact O-OG 3.44Å; D88-S92 VanDerWaalsContact O-OG 3.06Å
89	Q	98.4	Very high	98	Very high	113 Å²	113	67.8 Å²	67.8	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-56.5	173.3	-176.1	-171.4	-12	0	0	111.8	D85 S91 S92 E93	D85-Q89 WeakPolarHBondContact O-CB 3.46Å; D85-Q89 PolarHBondContact O-N 3.19Å; Q89-S91 VanDerWaalsContact C-N 3.3Å; Q89-S91 PolarHBondContact O-N 3.26Å; Q89-S92 PolarHBondContact O-N 3.04Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.37Å; Q89-E93 PolarHBondContact NE2-OE1 2.8Å; Q89-E93 WeakPolarHBondContact O-CG 3.45Å; Q89-E93 PolarHBondContact O-N 3.31Å
90	V	98.4	Very high	98	Very high	4 Å²	4	68.7 Å²	68.7	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-35.7	-176.8	174.2	0	0	0	0	111.4	K64 L79 K86 L87 E93 I94	K64-V90 HydrophobicContact CD-CG1 4.27Å; K64-V90 HydrophobicContact CD-CG2 4.03Å; K64-V90 HydrophobicContact CG-CG1 4.09Å; L79-V90 HydrophobicContact CD1-CB 4.25Å; L79-V90 HydrophobicContact CD1-CG1 3.9Å; K86-V90 WeakPolarHBondContact O-CG2 3.42Å; K86-V90 PolarHBondContact O-N 3.17Å; L87-V90 PolarHBondContact O-N 3.17Å; V90-E93 PolarHBondContact O-N 3.38Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 HydrophobicContact CG1-CG1 4.42Å; V90-I94 WeakPolarHBondContact O-CB 3.45Å; V90-I94 WeakPolarHBondContact O-CG1 3.5Å; V90-I94 PolarHBondContact O-N 2.75Å
91	S	98.6	Very high	98	Very high	8 Å²	8	72.5 Å²	72.5	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-58.1	-50.7	173.7	177.4	0	0	0	0	111.3	L87 D88 Q89 I94 K95 T102	L87-S91 WeakPolarHBondContact O-CB 3.41Å; L87-S91 PolarHBondContact O-N 2.88Å; D88-S91 PolarHBondContact O-N 3.29Å; Q89-S91 VanDerWaalsContact C-N 3.3Å; Q89-S91 PolarHBondContact O-N 3.26Å; S91-I94 PolarHBondContact O-N 2.81Å; S91-K95 WeakPolarHBondContact O-CG 3.38Å; S91-K95 PolarHBondContact O-N 2.82Å; S91-T102 PolarHBondContact OG-OG1 3.48Å
92	S	98.4	Very high	98	Very high	59 Å²	59	72.2 Å²	72.2	41%	0.413	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-45.4	177.2	-63.6	0	0	0	0	112.1	D88 Q89 I94 K95 E96	D88-S92 WeakPolarHBondContact O-CB 3.45Å; D88-S92 PolarHBondContact O-N 2.96Å; D88-S92 PolarHBondContact O-OG 3.44Å; D88-S92 VanDerWaalsContact O-OG 3.06Å; Q89-S92 PolarHBondContact O-N 3.04Å; S92-I94 VanDerWaalsContact C-N 3.3Å; S92-I94 PolarHBondContact O-N 2.86Å; S92-K95 PolarHBondContact O-N 3.07Å; S92-E96 WeakPolarHBondContact O-CB 3.3Å; S92-E96 WeakPolarHBondContact O-CG 3.37Å; S92-E96 PolarHBondContact O-N 3.22Å
93	E	98.3	Very high	98.1	Very high	64 Å²	64	68.8 Å²	68.8	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-55.3	-44.3	175.5	-72.6	171.9	-169.8	0	0	111.7	K64 Q89 V90 K97	K64-E93 IonicContact NZ-OE2 3.48Å; K64-E93 PolarHBondContact NZ-OE2 2.84Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.37Å; Q89-E93 PolarHBondContact NE2-OE1 2.8Å; Q89-E93 WeakPolarHBondContact O-CG 3.45Å; Q89-E93 PolarHBondContact O-N 3.31Å; V90-E93 PolarHBondContact O-N 3.38Å; E93-K97 WeakPolarHBondContact O-CB 3.29Å; E93-K97 PolarHBondContact O-N 2.98Å
94	I	98.6	Very high	98.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.9	-47.4	178.2	-72.9	173.6	0	0	0	111.4	A67 E68 A71 L79 V90 S91 S92 E96 K97 F98 V100 T102	A67-I94 HydrophobicContact CB-CD1 3.8Å; E68-I94 HydrophobicContact CG-CD1 4.33Å; E68-I94 HydrophobicContact CG-CG1 4.08Å; A71-I94 HydrophobicContact CB-CG2 3.53Å; L79-I94 HydrophobicContact CD1-CD1 4.35Å; L79-I94 HydrophobicContact CD2-CD1 4.33Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 HydrophobicContact CG1-CG1 4.42Å; V90-I94 WeakPolarHBondContact O-CB 3.45Å; V90-I94 WeakPolarHBondContact O-CG1 3.5Å; V90-I94 PolarHBondContact O-N 2.75Å; S91-I94 PolarHBondContact O-N 2.81Å; S92-I94 VanDerWaalsContact C-N 3.3Å; S92-I94 PolarHBondContact O-N 2.86Å; I94-E96 VanDerWaalsContact C-N 3.33Å; I94-E96 PolarHBondContact O-N 2.76Å; I94-K97 PolarHBondContact O-N 2.93Å; I94-F98 HydrophobicContact CB-CD2 4.48Å; I94-F98 HydrophobicContact CG2-CD2 4.15Å; I94-F98 PolarHBondContact O-N 3.35Å; I94-V100 HydrophobicContact CG2-CG2 3.88Å; I94-T102 HydrophobicContact CB-CG2 4.09Å; I94-T102 HydrophobicContact CG2-CG2 3.51Å
95	K	98	Very high	98.3	Very high	94 Å²	94	66 Å²	66	41%	0.409	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-46.7	178.1	-73.4	-173.1	-170.6	-170.5	0	111.1	S91 S92 K99 T102	S91-K95 WeakPolarHBondContact O-CG 3.38Å; S91-K95 PolarHBondContact O-N 2.82Å; S92-K95 PolarHBondContact O-N 3.07Å; K95-K99 VanDerWaalsContact O-CA 3.24Å; K95-K99 WeakPolarHBondContact O-CA 3.43Å; K95-K99 PolarHBondContact O-N 2.8Å; K95-T102 WeakPolarHBondContact CE-OG1 3.4Å; K95-T102 HydrophobicContact CG-CG2 3.95Å; K95-T102 WeakPolarHBondContact CG-OG1 3.38Å
96	E	97.8	Very high	98.3	Very high	136 Å²	136	60.7 Å²	60.7	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-66.4	-44	-177.6	-74.7	176.3	-171	0	0	112.1	S92 I94 K99	S92-E96 WeakPolarHBondContact O-CB 3.3Å; S92-E96 WeakPolarHBondContact O-CG 3.37Å; S92-E96 PolarHBondContact O-N 3.22Å; I94-E96 VanDerWaalsContact C-N 3.33Å; I94-E96 PolarHBondContact O-N 2.76Å; E96-K99 VanDerWaalsContact O-CE 3.27Å; E96-K99 WeakPolarHBondContact O-CE 3.27Å; E96-K99 PolarHBondContact O-NZ 3.11Å
97	K	98.2	Very high	98.4	Very high	134 Å²	134	56.1 Å²	56.1	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-77.3	-39.9	-174.4	-173.6	174.5	176.1	-175.7	0	113.4	E68 E93 I94	E68-K97 IonicContact OE2-NZ 2.68Å; E93-K97 WeakPolarHBondContact O-CB 3.29Å; E93-K97 PolarHBondContact O-N 2.98Å; I94-K97 PolarHBondContact O-N 2.93Å
98	F	98.3	Very high	98.3	Very high	44 Å²	44	58.6 Å²	58.6	19%	0.193	28%	0.283	C	S	.	.	H	α-helix	trans	-113	-7.1	-170.9	-55.7	-66.7	0	0	0	114.2	E68 A71 K72 I94 V100	E68-F98 HydrophobicContact CB-CE2 3.9Å; E68-F98 HydrophobicContact CB-CZ 4.16Å; E68-F98 HydrophobicContact CG-CE2 4.12Å; A71-F98 HydrophobicContact CB-CB 4.02Å; A71-F98 HydrophobicContact CB-CD2 3.65Å; A71-F98 HydrophobicContact CB-CE2 4.34Å; A71-F98 HydrophobicContact CB-CG 3.98Å; K72-F98 HydrophobicContact CB-CD1 3.8Å; K72-F98 HydrophobicContact CB-CE1 3.56Å; K72-F98 HydrophobicContact CB-CZ 4.2Å; K72-F98 HydrophobicContact CD-CE1 4.35Å; K72-F98 HydrophobicContact CG-CD1 4.21Å; K72-F98 HydrophobicContact CG-CE1 3.89Å; I94-F98 HydrophobicContact CB-CD2 4.48Å; I94-F98 HydrophobicContact CG2-CD2 4.15Å; I94-F98 PolarHBondContact O-N 3.35Å; F98-V100 HydrophobicContact CB-CG1 4.47Å; F98-V100 HydrophobicContact CB-CG2 4.33Å; F98-V100 PolarHBondContact O-N 2.63Å
99	K	98.1	Very high	98.2	Very high	170 Å²	170	55.5 Å²	55.5	74%	0.739	27%	0.266	S	S	*	.			trans	58	32.8	178.4	-49.4	-54.2	-172.7	-163.6	0	113.8	K95 E96	K95-K99 VanDerWaalsContact O-CA 3.24Å; K95-K99 WeakPolarHBondContact O-CA 3.43Å; K95-K99 PolarHBondContact O-N 2.8Å; E96-K99 VanDerWaalsContact O-CE 3.27Å; E96-K99 WeakPolarHBondContact O-CE 3.27Å; E96-K99 PolarHBondContact O-NZ 3.11Å
100	V	98.3	Very high	97.9	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.115	25%	0.252	C	S	.	.			trans	-105.4	157.2	174.7	-59.8	0	0	0	0	111.2	A71 I94 F98 T102	A71-V100 HydrophobicContact CB-CG2 3.67Å; I94-V100 HydrophobicContact CG2-CG2 3.88Å; F98-V100 HydrophobicContact CB-CG1 4.47Å; F98-V100 HydrophobicContact CB-CG2 4.33Å; F98-V100 PolarHBondContact O-N 2.63Å; V100-T102 HydrophobicContact CG2-CG2 4.47Å
101	E	98.4	Very high	97.6	Very high	80 Å²	80	55.8 Å²	55.8	37%	0.374	27%	0.272	S	S	.	.			trans	-70.3	143.8	171.2	-163.5	-173	150.7	0	0	110.4	W52 K76 V77 R103	W52-E101 HydrophobicContact CH2-CB 4.06Å; W52-E101 VanDerWaalsContact CH2-CD 3.41Å; W52-E101 HydrophobicContact CH2-CG 3.71Å; W52-E101 VanDerWaalsContact CH2-OE1 3.25Å; W52-E101 WeakPolarHBondContact CH2-OE1 3.43Å; W52-E101 HydrophobicContact CZ2-CB 4.46Å; W52-E101 VanDerWaalsContact CZ2-CD 3.43Å; W52-E101 HydrophobicContact CZ2-CG 4.19Å; W52-E101 VanDerWaalsContact CZ2-OE1 3.31Å; W52-E101 WeakPolarHBondContact CZ2-OE1 3.47Å; K76-E101 CarbonylContact C-O 3.57Å; K76-E101 VanDerWaalsContact CA-O 3.23Å; K76-E101 WeakPolarHBondContact CA-O 3.39Å; K76-E101 HydrophobicContact CB-CB 4.21Å; K76-E101 WeakPolarHBondContact CB-O 3.47Å; K76-E101 HydrophobicContact CD-CB 3.94Å; K76-E101 HydrophobicContact CG-CB 3.84Å; K76-E101 IonicContact NZ-OE2 2.75Å; V77-E101 PolarHBondContact N-O 2.78Å; E101-R103 IonicContact OE1-NE 3.68Å; E101-R103 PolarHBondContact OE1-NE 3.16Å; E101-R103 IonicContact OE1-NH2 2.66Å
102	T	98.5	Very high	97.3	Very high	7 Å²	7	62 Å²	62	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.6	170.9	65.1	0	0	0	0	111	V77 S91 I94 K95 V100	V77-T102 HydrophobicContact CB-CG2 4.34Å; V77-T102 CarbonylContact O-C 3.51Å; V77-T102 WeakPolarHBondContact O-CA 3.49Å; V77-T102 WeakPolarHBondContact O-CB 3.5Å; S91-T102 PolarHBondContact OG-OG1 3.48Å; I94-T102 HydrophobicContact CB-CG2 4.09Å; I94-T102 HydrophobicContact CG2-CG2 3.51Å; K95-T102 WeakPolarHBondContact CE-OG1 3.4Å; K95-T102 HydrophobicContact CG-CG2 3.95Å; K95-T102 WeakPolarHBondContact CG-OG1 3.38Å; V100-T102 HydrophobicContact CG2-CG2 4.47Å
103	R	98.6	Very high	97	Very high	99 Å²	99	65.5 Å²	65.5	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.4	172.9	-70.8	177.7	-175.8	-160.7	3.7	109.5	W52 V77 V78 L79 E101 L125	W52-R103 HydrophobicContact CH2-CB 4.46Å; W52-R103 HydrophobicContact CH2-CG 3.63Å; W52-R103 HydrophobicContact CZ3-CB 4.16Å; W52-R103 HydrophobicContact CZ3-CG 3.83Å; V77-R103 PolarHBondContact O-N 3.28Å; V78-R103 CarbonylContact C-O 3.57Å; V78-R103 WeakPolarHBondContact CA-O 3.48Å; V78-R103 HydrophobicContact CG1-CB 4.32Å; V78-R103 HydrophobicContact CG2-CB 4.27Å; L79-R103 PolarHBondContact N-O 2.98Å; E101-R103 IonicContact OE1-NE 3.68Å; E101-R103 PolarHBondContact OE1-NE 3.16Å; E101-R103 IonicContact OE1-NH2 2.66Å; R103-L125 VanDerWaalsContact CZ-CD2 3.48Å; R103-L125 VanDerWaalsContact NH1-CD2 3.26Å
104	T	98.7	Very high	96.9	Very high	41 Å²	41	63 Å²	63	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.7	-179.9	58.3	0	0	0	0	109.9	L79 Q84 L87	L79-T104 WeakPolarHBondContact O-CA 3.32Å; Q84-T104 PolarHBondContact NE2-OG1 3.33Å; Q84-T104 VanDerWaalsContact NE2-OG1 3.11Å; L87-T104 HydrophobicContact CB-CG2 3.79Å; L87-T104 HydrophobicContact CD2-CG2 4.39Å
105	I	98.7	Very high	96.9	Very high	11 Å²	11	64 Å²	64	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	104.8	174.5	-55.3	176.4	0	0	0	107.7	V78 L79 I80 S81 V107 I118 L122	V78-I105 HydrophobicContact CG1-CD1 3.75Å; V78-I105 HydrophobicContact CG1-CG1 4.03Å; L79-I105 PolarHBondContact O-N 3.44Å; I80-I105 WeakPolarHBondContact CA-O 3.32Å; I80-I105 HydrophobicContact CD1-CD1 4.24Å; I80-I105 HydrophobicContact CG1-CB 4.18Å; I80-I105 HydrophobicContact CG1-CD1 4.37Å; I80-I105 HydrophobicContact CG2-CB 4.35Å; S81-I105 PolarHBondContact N-O 3.31Å; I105-V107 HydrophobicContact CG2-CG1 4.06Å; I105-V107 PolarHBondContact O-N 2.9Å; I105-I118 HydrophobicContact CG2-CG1 4.28Å; I105-L122 HydrophobicContact CD1-CD2 4.16Å; I105-L122 HydrophobicContact CD1-CG 4.37Å
106	A	98.4	Very high	96.9	Very high	17 Å²	17	65.2 Å²	65.2	14%	0.14	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.5	175.2	0	0	0	0	0	111.5	S81 Q84 L87 K117	S81-A106 CarbonylContact O-C 3.55Å; S81-A106 VanDerWaalsContact O-CA 3.26Å; S81-A106 WeakPolarHBondContact O-CA 3.31Å; Q84-A106 HydrophobicContact CB-CB 4.23Å; L87-A106 HydrophobicContact CD1-CB 3.94Å; A106-K117 WeakPolarHBondContact O-CE 3.48Å; A106-K117 PolarHBondContact O-NZ 2.98Å
107	V	98	Very high	96.9	Very high	10 Å²	10	64.5 Å²	64.5	6%	0.061	31%	0.313	C	S	.	.			trans	-148	151.1	177.2	-70.9	0	0	0	0	110.7	I80 S81 R82 I105 F109 I114 K117 I118	I80-V107 HydrophobicContact CG2-CG2 3.34Å; S81-V107 CarbonylContact C-O 3.55Å; S81-V107 PolarHBondContact O-N 2.88Å; S81-V107 VanDerWaalsContact O-O 3.13Å; R82-V107 WeakPolarHBondContact CA-O 3.25Å; R82-V107 WeakPolarHBondContact CG-O 3.26Å; I105-V107 HydrophobicContact CG2-CG1 4.06Å; I105-V107 PolarHBondContact O-N 2.9Å; V107-F109 HydrophobicContact CG2-CD2 4.38Å; V107-F109 HydrophobicContact CG2-CE2 3.99Å; V107-F109 HydrophobicContact CG2-CZ 4.36Å; V107-I114 HydrophobicContact CB-CB 4.01Å; V107-I114 HydrophobicContact CB-CD1 4.03Å; V107-I114 HydrophobicContact CB-CG2 4.16Å; V107-I114 HydrophobicContact CG1-CB 3.97Å; V107-I114 HydrophobicContact CG1-CG2 4.35Å; V107-I114 HydrophobicContact CG2-CD1 4.13Å; V107-K117 HydrophobicContact CG1-CD 3.92Å; V107-K117 HydrophobicContact CG1-CG 4.41Å; V107-I118 HydrophobicContact CG1-CG1 4.14Å; V107-I118 HydrophobicContact CG2-CD1 4.05Å; V107-I118 HydrophobicContact CG2-CG1 4.19Å
108	D	96.7	Very high	96.9	Very high	51 Å²	51	58.1 Å²	58.1	27%	0.273	29%	0.285	S	S	.	.			trans	-103.6	109.7	171.2	-167.8	-4.1	0	0	0	111.7	R82 T110 L111	R82-D108 VanDerWaalsContact CD-OD1 3.24Å; R82-D108 WeakPolarHBondContact CD-OD1 3.45Å; R82-D108 HydrophobicContact CG-CB 4.14Å; D108-T110 PolarHBondContact O-N 2.83Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.16Å; D108-T110 PolarHBondContact OD1-N 3.11Å; D108-T110 PolarHBondContact OD1-OG1 3.2Å; D108-T110 VanDerWaalsContact OD1-OG1 3.13Å; D108-T110 PolarHBondContact OD2-OG1 2.91Å; D108-L111 HydrophobicContact CB-CD1 4.34Å; D108-L111 HydrophobicContact CB-CG 4.39Å; D108-L111 WeakPolarHBondContact O-CB 3.03Å; D108-L111 PolarHBondContact O-N 3.5Å
109	F	96.3	Very high	96.9	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.018	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.1	176.5	-74.8	-83.2	0	0	0	113.9	T56 I80 V107 I114 Y115 I118 V134 N159 I160 S164 M168	T56-F109 HydrophobicContact CG2-CE2 4.41Å; T56-F109 HydrophobicContact CG2-CZ 3.85Å; I80-F109 HydrophobicContact CG2-CE2 3.69Å; I80-F109 HydrophobicContact CG2-CZ 3.89Å; V107-F109 HydrophobicContact CG2-CD2 4.38Å; V107-F109 HydrophobicContact CG2-CE2 3.99Å; V107-F109 HydrophobicContact CG2-CZ 4.36Å; F109-I114 HydrophobicContact CB-CD1 4.43Å; F109-I114 HydrophobicContact CD1-CD1 3.66Å; F109-I114 HydrophobicContact CE1-CD1 4.03Å; F109-I114 HydrophobicContact CG-CD1 3.97Å; F109-Y115 HydrophobicContact CE1-CE1 4.17Å; F109-I118 HydrophobicContact CE1-CD1 4.14Å; F109-I118 HydrophobicContact CZ-CD1 4.06Å; F109-V134 HydrophobicContact CB-CG1 4.48Å; F109-V134 HydrophobicContact CB-CG2 4.21Å; F109-V134 HydrophobicContact CD1-CG1 4.13Å; F109-V134 HydrophobicContact CD2-CB 4.16Å; F109-V134 HydrophobicContact CD2-CG1 3.94Å; F109-V134 HydrophobicContact CD2-CG2 3.73Å; F109-V134 HydrophobicContact CE1-CG1 4.31Å; F109-V134 HydrophobicContact CE2-CB 4.36Å; F109-V134 HydrophobicContact CE2-CG1 4.11Å; F109-V134 HydrophobicContact CE2-CG2 4.37Å; F109-V134 HydrophobicContact CG-CG1 3.93Å; F109-V134 HydrophobicContact CG-CG2 4.13Å; F109-V134 HydrophobicContact CZ-CG1 4.29Å; F109-N159 PolarHBondContact O-ND2 3.43Å; F109-I160 HydrophobicContact CB-CG1 4.16Å; F109-I160 WeakPolarHBondContact O-CG1 3.29Å; F109-S164 VanDerWaalsContact CD1-CB 3.49Å; F109-M168 HydrophobicContact CE1-CG 4.2Å; F109-M168 HydrophobicContact CE1-SD 4.28Å; F109-M168 HydrophobicContact CZ-CG 4.48Å; F109-M168 HydrophobicContact CZ-SD 4.29Å
110	T	93.1	Very high	96.9	Very high	38 Å²	38	59.2 Å²	59.2	23%	0.233	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.1	164.8	66.9	0	0	0	0	112.8	D108 N159 I160	D108-T110 PolarHBondContact O-N 2.83Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.16Å; D108-T110 PolarHBondContact OD1-N 3.11Å; D108-T110 PolarHBondContact OD1-OG1 3.2Å; D108-T110 VanDerWaalsContact OD1-OG1 3.13Å; D108-T110 PolarHBondContact OD2-OG1 2.91Å; T110-N159 PolarHBondContact O-ND2 3.17Å; T110-I160 HydrophobicContact CG2-CD1 3.43Å; T110-I160 VanDerWaalsContact CG2-CD1 3.43Å; T110-I160 HydrophobicContact CG2-CG1 4.23Å
111	L	92.8	Very high	96.9	Very high	86 Å²	86	59.7 Å²	59.7	45%	0.45	31%	0.307	S	S	.	.	S	Bend	trans	-100.3	156	179.7	-53.1	176.4	0	0	0	110.9	D108 I114 N159	D108-L111 HydrophobicContact CB-CD1 4.34Å; D108-L111 HydrophobicContact CB-CG 4.39Å; D108-L111 WeakPolarHBondContact O-CB 3.03Å; D108-L111 PolarHBondContact O-N 3.5Å; L111-I114 HydrophobicContact CB-CG2 3.96Å; L111-N159 PolarHBondContact O-ND2 2.97Å
112	E	90.3	Very high	96.9	Very high	138 Å²	138	56.4 Å²	56.4	65%	0.645	29%	0.292	S	S	*	.	S	Bend	trans	-101.1	-22.3	-177.9	-67.1	-171.4	-155.2	0	0	113.8	I114 Y115 L163	E112-I114 PolarHBondContact O-N 2.95Å; E112-Y115 VanDerWaalsContact O-CD2 3.23Å; E112-Y115 WeakPolarHBondContact O-CD2 3.23Å; E112-L163 HydrophobicContact CG-CD2 4.02Å
113	D	92.6	Very high	96.9	Very high	133 Å²	133	59.3 Å²	59.3	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	13.5	-176	62.5	-23.5	0	0	0	113.9
114	I	96.9	Very high	96.8	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.062	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-18.8	-174.1	61.8	165.3	0	0	0	114.3	V107 F109 L111 E112 D116 K117 I118	V107-I114 HydrophobicContact CB-CB 4.01Å; V107-I114 HydrophobicContact CB-CD1 4.03Å; V107-I114 HydrophobicContact CB-CG2 4.16Å; V107-I114 HydrophobicContact CG1-CB 3.97Å; V107-I114 HydrophobicContact CG1-CG2 4.35Å; V107-I114 HydrophobicContact CG2-CD1 4.13Å; F109-I114 HydrophobicContact CB-CD1 4.43Å; F109-I114 HydrophobicContact CD1-CD1 3.66Å; F109-I114 HydrophobicContact CE1-CD1 4.03Å; F109-I114 HydrophobicContact CG-CD1 3.97Å; L111-I114 HydrophobicContact CB-CG2 3.96Å; E112-I114 PolarHBondContact O-N 2.95Å; I114-D116 VanDerWaalsContact C-N 3.33Å; I114-D116 PolarHBondContact O-N 3.47Å; I114-K117 WeakPolarHBondContact O-CB 3.5Å; I114-K117 PolarHBondContact O-N 3.1Å; I114-I118 HydrophobicContact CD1-CD1 4.15Å; I114-I118 HydrophobicContact CG1-CD1 4.38Å; I114-I118 PolarHBondContact O-N 3.1Å
115	Y	97.9	Very high	96.7	Very high	19 Å²	19	57.9 Å²	57.9	8%	0.075	34%	0.336	C	S	.	.	H	α-helix	trans	-72.8	-24.6	-166.2	-63.6	-74.6	0	0	0	113.5	F109 E112 I118 K119 S164 K167 L171	F109-Y115 HydrophobicContact CE1-CE1 4.17Å; E112-Y115 VanDerWaalsContact O-CD2 3.23Å; E112-Y115 WeakPolarHBondContact O-CD2 3.23Å; Y115-I118 HydrophobicContact CD1-CD1 3.99Å; Y115-I118 HydrophobicContact CE1-CD1 4.37Å; Y115-I118 PolarHBondContact O-N 3.39Å; Y115-K119 VanDerWaalsContact O-CB 3.3Å; Y115-K119 WeakPolarHBondContact O-CB 3.34Å; Y115-K119 PolarHBondContact O-N 3.49Å; Y115-S164 VanDerWaalsContact OH-CA 3.26Å; Y115-S164 WeakPolarHBondContact OH-CA 3.17Å; Y115-S164 PolarHBondContact OH-N 3.41Å; Y115-K167 HydrophobicContact CD1-CB 3.52Å; Y115-K167 HydrophobicContact CD1-CG 4.23Å; Y115-K167 HydrophobicContact CD2-CB 4.27Å; Y115-K167 HydrophobicContact CD2-CD 4.32Å; Y115-K167 HydrophobicContact CD2-CG 4.08Å; Y115-K167 HydrophobicContact CE1-CB 3.25Å; Y115-K167 HydrophobicContact CE1-CG 3.95Å; Y115-K167 HydrophobicContact CE2-CB 4.07Å; Y115-K167 HydrophobicContact CE2-CD 4.48Å; Y115-K167 HydrophobicContact CE2-CG 3.8Å; Y115-K167 HydrophobicContact CG-CB 4.04Å; Y115-K167 HydrophobicContact CG-CD 4.48Å; Y115-K167 HydrophobicContact CG-CG 4.3Å; Y115-L171 HydrophobicContact CD1-CD1 4.36Å
116	D	97.6	Very high	96.7	Very high	121 Å²	121	60.5 Å²	60.5	65%	0.647	35%	0.348	S	S	*	.	H	α-helix	trans	-68.9	-38.9	173.6	-72.6	-29.6	0	0	0	111.7	I114 I118 K119 T120	I114-D116 VanDerWaalsContact C-N 3.33Å; I114-D116 PolarHBondContact O-N 3.47Å; D116-I118 VanDerWaalsContact C-N 3.35Å; D116-K119 PolarHBondContact O-N 3.44Å; D116-T120 WeakPolarHBondContact O-CB 3.32Å; D116-T120 PolarHBondContact O-N 3.44Å; D116-T120 PolarHBondContact O-OG1 2.78Å
117	K	98.1	Very high	96.7	Very high	120 Å²	120	60.2 Å²	60.2	52%	0.522	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-42.9	171.9	-177.3	177.3	179.5	-174.9	0	111.2	A106 V107 I114 T120 G121	A106-K117 WeakPolarHBondContact O-CE 3.48Å; A106-K117 PolarHBondContact O-NZ 2.98Å; V107-K117 HydrophobicContact CG1-CD 3.92Å; V107-K117 HydrophobicContact CG1-CG 4.41Å; I114-K117 WeakPolarHBondContact O-CB 3.5Å; I114-K117 PolarHBondContact O-N 3.1Å; K117-T120 PolarHBondContact O-N 2.94Å; K117-G121 PolarHBondContact O-N 3.33Å
118	I	98.6	Very high	96.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-50.2	176.2	-61.3	172.2	0	0	0	110.4	I80 I105 V107 F109 I114 Y115 D116 T120 G121 L122 M168 L171	I80-I118 HydrophobicContact CD1-CG2 3.89Å; I105-I118 HydrophobicContact CG2-CG1 4.28Å; V107-I118 HydrophobicContact CG1-CG1 4.14Å; V107-I118 HydrophobicContact CG2-CD1 4.05Å; V107-I118 HydrophobicContact CG2-CG1 4.19Å; F109-I118 HydrophobicContact CE1-CD1 4.14Å; F109-I118 HydrophobicContact CZ-CD1 4.06Å; I114-I118 HydrophobicContact CD1-CD1 4.15Å; I114-I118 HydrophobicContact CG1-CD1 4.38Å; I114-I118 PolarHBondContact O-N 3.1Å; Y115-I118 HydrophobicContact CD1-CD1 3.99Å; Y115-I118 HydrophobicContact CE1-CD1 4.37Å; Y115-I118 PolarHBondContact O-N 3.39Å; D116-I118 VanDerWaalsContact C-N 3.35Å; I118-T120 PolarHBondContact O-N 3.25Å; I118-G121 PolarHBondContact O-N 2.88Å; I118-G121 VanDerWaalsContact O-N 3.07Å; I118-L122 HydrophobicContact CG2-CD1 3.72Å; I118-L122 HydrophobicContact CG2-CG 4.1Å; I118-L122 WeakPolarHBondContact O-CB 3.24Å; I118-L122 VanDerWaalsContact O-CG 3.3Å; I118-L122 WeakPolarHBondContact O-CG 3.22Å; I118-L122 PolarHBondContact O-N 2.96Å; I118-M168 HydrophobicContact CD1-SD 3.8Å; I118-M168 HydrophobicContact CG2-CE 3.94Å; I118-M168 HydrophobicContact CG2-SD 3.85Å; I118-L171 HydrophobicContact CB-CD1 4.26Å; I118-L171 HydrophobicContact CG2-CD1 3.92Å
119	K	98.4	Very high	96.8	Very high	130 Å²	130	57.3 Å²	57.3	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-53.1	-44.7	178	-176.6	-179.4	178.4	-175	0	111.4	Y115 D116 L122 A123 L171	Y115-K119 VanDerWaalsContact O-CB 3.3Å; Y115-K119 WeakPolarHBondContact O-CB 3.34Å; Y115-K119 PolarHBondContact O-N 3.49Å; D116-K119 PolarHBondContact O-N 3.44Å; K119-L122 PolarHBondContact O-N 2.92Å; K119-A123 PolarHBondContact O-N 3.22Å; K119-A123 VanDerWaalsContact O-N 3.15Å; K119-L171 HydrophobicContact CB-CD2 3.8Å; K119-L171 HydrophobicContact CD-CD2 4.17Å; K119-L171 HydrophobicContact CG-CD2 3.96Å
120	T	98.3	Very high	97	Very high	108 Å²	108	57.1 Å²	57.1	66%	0.663	33%	0.327	S	S	*	.	H	α-helix	trans	-64.6	-44.9	177.6	-55.8	0	0	0	0	111.5	D116 K117 I118 L122 A123	D116-T120 WeakPolarHBondContact O-CB 3.32Å; D116-T120 PolarHBondContact O-N 3.44Å; D116-T120 PolarHBondContact O-OG1 2.78Å; K117-T120 PolarHBondContact O-N 2.94Å; I118-T120 PolarHBondContact O-N 3.25Å; T120-L122 PolarHBondContact O-N 3.12Å; T120-A123 WeakPolarHBondContact O-CB 3.38Å; T120-A123 PolarHBondContact O-N 3.21Å
121	G	98.1	Very high	97.2	Very high	28 Å²	28	55.3 Å²	55.3	29%	0.289	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-22	177.7	0	0	0	0	0	114.6	K117 I118	K117-G121 PolarHBondContact O-N 3.33Å; I118-G121 PolarHBondContact O-N 2.88Å; I118-G121 VanDerWaalsContact O-N 3.07Å
122	L	98.6	Very high	97.5	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-93.9	-8	177.4	-65.8	-175	0	0	0	113.8	V54 V78 I105 I118 K119 T120 G124 L125 I127 M168 V172	V54-L122 HydrophobicContact CG1-CD2 4.35Å; V54-L122 HydrophobicContact CG2-CD1 4.47Å; V54-L122 HydrophobicContact CG2-CD2 3.64Å; V78-L122 HydrophobicContact CB-CD2 4.32Å; V78-L122 HydrophobicContact CG1-CD2 3.98Å; V78-L122 HydrophobicContact CG2-CD2 4.11Å; I105-L122 HydrophobicContact CD1-CD2 4.16Å; I105-L122 HydrophobicContact CD1-CG 4.37Å; I118-L122 HydrophobicContact CG2-CD1 3.72Å; I118-L122 HydrophobicContact CG2-CG 4.1Å; I118-L122 WeakPolarHBondContact O-CB 3.24Å; I118-L122 VanDerWaalsContact O-CG 3.3Å; I118-L122 WeakPolarHBondContact O-CG 3.22Å; I118-L122 PolarHBondContact O-N 2.96Å; K119-L122 PolarHBondContact O-N 2.92Å; T120-L122 PolarHBondContact O-N 3.12Å; L122-G124 PolarHBondContact O-N 3.26Å; L122-L125 HydrophobicContact CD2-CD1 4.29Å; L122-L125 WeakPolarHBondContact O-CB 3.27Å; L122-L125 PolarHBondContact O-N 2.88Å; L122-I127 HydrophobicContact CB-CD1 4.09Å; L122-I127 HydrophobicContact CD1-CD1 3.98Å; L122-I127 HydrophobicContact CD2-CD1 4.08Å; L122-I127 HydrophobicContact CG-CD1 4.26Å; L122-M168 HydrophobicContact CD1-CE 4.32Å; L122-V172 HydrophobicContact CD1-CG2 4.22Å
123	A	97.4	Very high	97.9	Very high	67 Å²	67	46 Å²	46	55%	0.554	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	135.4	-176.5	0	0	0	0	0	111.9	K119 T120 L125	K119-A123 PolarHBondContact O-N 3.22Å; K119-A123 VanDerWaalsContact O-N 3.15Å; T120-A123 WeakPolarHBondContact O-CB 3.38Å; T120-A123 PolarHBondContact O-N 3.21Å; A123-L125 PolarHBondContact O-N 2.88Å
124	G	96.4	Very high	98.1	Very high	89 Å²	89	41 Å²	41	92%	0.918	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	2.3	179.8	0	0	0	0	0	115.4	L122	L122-G124 PolarHBondContact O-N 3.26Å
125	L	98.3	Very high	98	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.11	25%	0.254	C	S	.	.			trans	-88.9	130.6	177.7	-58.7	-173	0	0	0	111.8	W52 V78 R103 L122 A123 I127	W52-L125 HydrophobicContact CD2-CD1 4.06Å; W52-L125 HydrophobicContact CD2-CD2 4.08Å; W52-L125 HydrophobicContact CE3-CD1 4.29Å; W52-L125 HydrophobicContact CG-CB 4.14Å; W52-L125 HydrophobicContact CG-CD1 4.29Å; W52-L125 HydrophobicContact CG-CD2 4.29Å; W52-L125 HydrophobicContact CG-CG 4.48Å; W52-L125 HydrophobicContact CZ2-CD2 3.96Å; V78-L125 HydrophobicContact CG2-CD1 3.61Å; R103-L125 VanDerWaalsContact CZ-CD2 3.48Å; R103-L125 VanDerWaalsContact NH1-CD2 3.26Å; L122-L125 HydrophobicContact CD2-CD1 4.29Å; L122-L125 WeakPolarHBondContact O-CB 3.27Å; L122-L125 PolarHBondContact O-N 2.88Å; A123-L125 PolarHBondContact O-N 2.88Å; L125-I127 VanDerWaalsContact C-N 3.34Å; L125-I127 HydrophobicContact CB-CG1 4.02Å; L125-I127 PolarHBondContact O-N 3.32Å
126	E	98.1	Very high	97.9	Very high	66 Å²	66	42.8 Å²	42.8	31%	0.308	26%	0.261	S	S	.	.			trans	-76.9	85.3	167.3	-167.4	-178.9	145	0	0	110	G50 E51 W52 G128 R179 K181	G50-E126 CarbonylContact C-O 3.56Å; G50-E126 WeakPolarHBondContact CA-OE1 3.38Å; E51-E126 PolarHBondContact N-O 3.28Å; E51-E126 VanDerWaalsContact N-O 3.15Å; W52-E126 PolarHBondContact N-O 2.98Å; E126-G128 PolarHBondContact O-N 3.3Å; E126-R179 VanDerWaalsContact CG-CZ 3.46Å; E126-R179 VanDerWaalsContact CG-NE 3.35Å; E126-R179 IonicContact OE1-NE 3.5Å; E126-K181 VanDerWaalsContact OE1-CE 3.25Å; E126-K181 WeakPolarHBondContact OE1-CE 3.37Å; E126-K181 IonicContact OE1-NZ 2.97Å; E126-K181 PolarHBondContact OE1-NZ 3.42Å
127	I	98.7	Very high	97.7	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	109.2	-178.7	-56.5	163.6	0	0	0	109.8	W52 V54 L122 L125 V172 M176 R179	W52-I127 HydrophobicContact CB-CG1 4.49Å; W52-I127 CarbonylContact O-C 3.51Å; W52-I127 WeakPolarHBondContact O-CA 3.43Å; V54-I127 HydrophobicContact CB-CG2 4.4Å; V54-I127 HydrophobicContact CG2-CB 4.46Å; V54-I127 HydrophobicContact CG2-CD1 3.84Å; V54-I127 HydrophobicContact CG2-CG1 3.91Å; V54-I127 HydrophobicContact CG2-CG2 3.69Å; L122-I127 HydrophobicContact CB-CD1 4.09Å; L122-I127 HydrophobicContact CD1-CD1 3.98Å; L122-I127 HydrophobicContact CD2-CD1 4.08Å; L122-I127 HydrophobicContact CG-CD1 4.26Å; L125-I127 VanDerWaalsContact C-N 3.34Å; L125-I127 HydrophobicContact CB-CG1 4.02Å; L125-I127 PolarHBondContact O-N 3.32Å; I127-V172 HydrophobicContact CB-CG1 3.89Å; I127-V172 HydrophobicContact CD1-CG1 4.28Å; I127-V172 HydrophobicContact CD1-CG2 3.87Å; I127-V172 HydrophobicContact CG2-CG1 3.46Å; I127-V172 VanDerWaalsContact CG2-CG1 3.46Å; I127-V172 HydrophobicContact CG2-CG2 4.41Å; I127-M176 HydrophobicContact CG2-CE 4.22Å; I127-R179 PolarHBondContact O-NH2 3Å
128	G	98.4	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-27.3	177.5	0	0	0	0	0	114.1	L49 W52 E126 M176 G182 A183	L49-G128 WeakPolarHBondContact O-CA 3.33Å; W52-G128 PolarHBondContact O-N 2.92Å; E126-G128 PolarHBondContact O-N 3.3Å; G128-M176 WeakPolarHBondContact O-CE 3.3Å; G128-G182 CarbonylContact O-C 3.56Å; G128-G182 WeakPolarHBondContact O-CA 3.25Å; G128-A183 PolarHBondContact O-N 3.17Å
129	I	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.9	179.8	-58.7	-173.5	0	0	0	111	V45 L49 W52 A53 V54 L70 M75 V131 A183 L185	V45-I129 HydrophobicContact CG1-CD1 3.54Å; L49-I129 HydrophobicContact CD1-CD1 4.04Å; L49-I129 HydrophobicContact CD1-CG1 4.08Å; W52-I129 PolarHBondContact O-N 3.22Å; A53-I129 CarbonylContact C-O 3.53Å; A53-I129 VanDerWaalsContact CA-O 3.29Å; A53-I129 WeakPolarHBondContact CA-O 3.42Å; A53-I129 HydrophobicContact CB-CB 4.31Å; V54-I129 PolarHBondContact N-O 3.19Å; L70-I129 HydrophobicContact CD1-CG2 4.21Å; L70-I129 HydrophobicContact CD2-CD1 3.73Å; M75-I129 HydrophobicContact CE-CB 4.15Å; M75-I129 HydrophobicContact CE-CD1 4.09Å; M75-I129 HydrophobicContact CE-CG1 3.83Å; M75-I129 HydrophobicContact SD-CB 4.46Å; M75-I129 HydrophobicContact SD-CD1 3.6Å; M75-I129 VanDerWaalsContact SD-CD1 3.6Å; M75-I129 HydrophobicContact SD-CG1 4.02Å; I129-V131 HydrophobicContact CG2-CG2 4.05Å; I129-A183 CarbonylContact C-O 3.56Å; I129-A183 VanDerWaalsContact CA-O 3.27Å; I129-A183 WeakPolarHBondContact CA-O 3.04Å; I129-A183 HydrophobicContact CG1-CB 4.3Å; I129-L185 HydrophobicContact CG2-CD1 4.44Å; I129-L185 HydrophobicContact CG2-CG 4.45Å
130	L	98.9	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.1	167.9	172.2	62.8	0	0	0	109.5	V54 M168 V172 M176 A183 I184 L185	V54-L130 HydrophobicContact CB-CD1 3.98Å; V54-L130 HydrophobicContact CG1-CD1 3.92Å; V54-L130 CarbonylContact O-C 3.41Å; L130-M168 HydrophobicContact CD1-CB 4.37Å; L130-M168 HydrophobicContact CD1-CE 4.07Å; L130-M168 HydrophobicContact CD2-CB 4.1Å; L130-V172 HydrophobicContact CB-CG1 4.27Å; L130-V172 HydrophobicContact CD1-CG2 4.46Å; L130-V172 HydrophobicContact CD2-CB 4.16Å; L130-V172 HydrophobicContact CD2-CG2 4.18Å; L130-M176 HydrophobicContact CB-CE 4.38Å; L130-A183 PolarHBondContact N-O 2.78Å; L130-I184 HydrophobicContact CB-CG1 4.35Å; L130-I184 HydrophobicContact CD2-CG2 4.28Å; L130-I184 CarbonylContact O-C 3.56Å; L130-I184 WeakPolarHBondContact O-CA 3.26Å; L130-L185 PolarHBondContact O-N 3.24Å
131	V	98.9	Very high	97	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99.8	171.4	-172.6	0	0	0	0	109	V54 V55 T56 Y66 L70 I129 N133 L185 I187	V54-V131 PolarHBondContact O-N 2.61Å; V55-V131 HydrophobicContact CB-CB 4.43Å; V55-V131 HydrophobicContact CG1-CB 4.17Å; V55-V131 HydrophobicContact CG1-CG1 4.41Å; V55-V131 HydrophobicContact CG2-CB 4.15Å; V55-V131 HydrophobicContact CG2-CG2 4.14Å; T56-V131 PolarHBondContact N-O 3.13Å; T56-V131 PolarHBondContact OG1-O 3.38Å; Y66-V131 HydrophobicContact CD1-CG2 4.43Å; Y66-V131 HydrophobicContact CD2-CG1 3.9Å; Y66-V131 HydrophobicContact CE2-CG1 4.42Å; Y66-V131 HydrophobicContact CG-CG1 4.01Å; Y66-V131 HydrophobicContact CG-CG2 4.4Å; L70-V131 HydrophobicContact CD1-CG2 3.9Å; I129-V131 HydrophobicContact CG2-CG2 4.05Å; V131-N133 HydrophobicContact CG1-CB 4.05Å; V131-N133 PolarHBondContact O-N 2.63Å; V131-N133 VanDerWaalsContact O-N 3.17Å; V131-L185 CarbonylContact C-O 3.5Å; V131-L185 WeakPolarHBondContact CA-O 3.5Å; V131-L185 HydrophobicContact CG2-CB 4.36Å; V131-L185 HydrophobicContact CG2-CD1 4.17Å; V131-I187 HydrophobicContact CG1-CD1 4.41Å; V131-I187 HydrophobicContact CG1-CG1 4.29Å
132	N	98.8	Very high	97	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	90.2	172.7	-76.9	-40.1	0	0	0	109.4	V165 M168 T169 L185 N186 I187	N132-V165 HydrophobicContact CB-CG1 4.35Å; N132-V165 HydrophobicContact CB-CG2 4.24Å; N132-M168 WeakPolarHBondContact OD1-CB 3.43Å; N132-T169 PolarHBondContact ND2-OG1 3.32Å; N132-L185 PolarHBondContact N-O 2.63Å; N132-N186 VanDerWaalsContact CB-OD1 3.32Å; N132-N186 WeakPolarHBondContact CB-OD1 3.44Å; N132-N186 PolarHBondContact ND2-OD1 3.11Å; N132-I187 PolarHBondContact O-N 2.78Å
133	N	98.5	Very high	97	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.139	20%	0.2	C	C	.	.			trans	-114.3	-22.1	-175.5	159.7	89.6	0	0	0	113.9	T56 G57 G63 V131 G135 I187	T56-N133 VanDerWaalsContact O-CB 3.26Å; T56-N133 WeakPolarHBondContact O-CB 3.25Å; T56-N133 PolarHBondContact O-ND2 3.1Å; T56-N133 PolarHBondContact OG1-N 2.84Å; G57-N133 PolarHBondContact O-ND2 2.81Å; G63-N133 VanDerWaalsContact CA-ND2 3.3Å; G63-N133 WeakPolarHBondContact CA-ND2 3.15Å; G63-N133 PolarHBondContact N-ND2 3.35Å; G63-N133 PolarHBondContact N-OD1 3.06Å; V131-N133 HydrophobicContact CG1-CB 4.05Å; V131-N133 PolarHBondContact O-N 2.63Å; V131-N133 VanDerWaalsContact O-N 3.17Å; N133-G135 PolarHBondContact O-N 3.22Å; N133-I187 HydrophobicContact CB-CB 4.35Å; N133-I187 HydrophobicContact CB-CG1 3.73Å
134	V	96.6	Very high	97	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.158	19%	0.192	C	C	.	.			trans	-54.3	138	179	71.9	0	0	0	0	110.8	T56 F109 I160	T56-V134 PolarHBondContact O-N 3.05Å; T56-V134 PolarHBondContact OG1-N 2.91Å; F109-V134 HydrophobicContact CB-CG1 4.48Å; F109-V134 HydrophobicContact CB-CG2 4.21Å; F109-V134 HydrophobicContact CD1-CG1 4.13Å; F109-V134 HydrophobicContact CD2-CB 4.16Å; F109-V134 HydrophobicContact CD2-CG1 3.94Å; F109-V134 HydrophobicContact CD2-CG2 3.73Å; F109-V134 HydrophobicContact CE1-CG1 4.31Å; F109-V134 HydrophobicContact CE2-CB 4.36Å; F109-V134 HydrophobicContact CE2-CG1 4.11Å; F109-V134 HydrophobicContact CE2-CG2 4.37Å; F109-V134 HydrophobicContact CG-CG1 3.93Å; F109-V134 HydrophobicContact CG-CG2 4.13Å; F109-V134 HydrophobicContact CZ-CG1 4.29Å; V134-I160 HydrophobicContact CG2-CG2 4.17Å
135	G	94.7	Very high	97	Very high	24 Å²	24	36.8 Å²	36.8	25%	0.247	18%	0.184	C	C	.	.			trans	-171.2	155	-173.8	0	0	0	0	0	112	N133 N161	N133-G135 PolarHBondContact O-N 3.22Å; G135-N161 WeakPolarHBondContact CA-OD1 3.36Å
136	M	95.1	Very high	97	Very high	45 Å²	45	40.1 Å²	40.1	22%	0.222	20%	0.202	C	C	.	.			trans	-128.5	156.4	167.4	69.5	175.6	-69.2	0	0	111	K156 M157 I160 N161 Y202	M136-K156 HydrophobicContact CE-CB 4.32Å; M136-K156 HydrophobicContact SD-CB 3.68Å; M136-M157 HydrophobicContact CG-CB 4.29Å; M136-M157 HydrophobicContact CG-CG 4.14Å; M136-M157 HydrophobicContact SD-CB 4.3Å; M136-I160 HydrophobicContact CB-CD1 4.31Å; M136-I160 HydrophobicContact CG-CB 4.27Å; M136-I160 HydrophobicContact CG-CD1 3.98Å; M136-I160 HydrophobicContact CG-CG2 4.42Å; M136-I160 HydrophobicContact SD-CD1 3.47Å; M136-I160 WeakPolarHBondContact SD-CD1 2.77Å; M136-I160 HydrophobicContact SD-CG1 4.47Å; M136-N161 PolarHBondContact N-OD1 3.22Å; M136-N161 PolarHBondContact O-ND2 3.43Å; M136-N161 PolarHBondContact O-OD1 2.91Å; M136-Y202 VanDerWaalsContact O-CD2 3.23Å; M136-Y202 WeakPolarHBondContact O-CD2 3.37Å; M136-Y202 WeakPolarHBondContact O-CE2 3.45Å
137	S	94.4	Very high	96.9	Very high	33 Å²	33	37.5 Å²	37.5	23%	0.231	19%	0.191	C	C	.	.			trans	-131.4	175.7	172.7	-168.7	0	0	0	0	109.1
138	Y	94	Very high	96.8	Very high	25 Å²	25	40.8 Å²	40.8	10%	0.098	21%	0.213	C	C	.	.			trans	-61.3	153.4	172	-66.9	-93.6	0	0	0	111.3	Y140 V147 V153 M157 L199 I201	Y138-Y140 VanDerWaalsContact C-N 3.3Å; Y138-Y140 WeakPolarHBondContact CB-O 3.34Å; Y138-V147 HydrophobicContact CD1-CG1 4.48Å; Y138-V147 HydrophobicContact CD1-CG2 4.41Å; Y138-V147 HydrophobicContact CE1-CG1 4.13Å; Y138-V147 HydrophobicContact CE1-CG2 3.76Å; Y138-V153 HydrophobicContact CE1-CG1 4.2Å; Y138-M157 HydrophobicContact CD2-CE 3.92Å; Y138-M157 HydrophobicContact CE2-CE 3.93Å; Y138-M157 HydrophobicContact CE2-SD 4.24Å; Y138-M157 HydrophobicContact CG-CE 4.3Å; Y138-L199 HydrophobicContact CD2-CB 4.32Å; Y138-L199 HydrophobicContact CD2-CD2 3.51Å; Y138-L199 HydrophobicContact CE2-CB 4.38Å; Y138-L199 HydrophobicContact CE2-CD2 4.32Å; Y138-L199 HydrophobicContact CG-CD2 3.95Å; Y138-I201 HydrophobicContact CE2-CB 4.42Å; Y138-I201 VanDerWaalsContact OH-CB 3.28Å; Y138-I201 WeakPolarHBondContact OH-CB 3.36Å; Y138-I201 WeakPolarHBondContact OH-CD1 3.19Å; Y138-I201 WeakPolarHBondContact OH-CG1 3.48Å; Y138-I201 PolarHBondContact OH-N 3.37Å; Y138-I201 VanDerWaalsContact OH-N 3.09Å
139	E	92.3	Very high	96.7	Very high	119 Å²	119	45.8 Å²	45.8	56%	0.556	24%	0.24	S	C	*	.	S	Bend	trans	-65.3	-38.7	169.6	-172.8	173.1	-155.9	0	0	111.2	K241 Y305	E139-K241 VanDerWaalsContact CG-NZ 3.29Å; E139-K241 WeakPolarHBondContact O-CE 3.32Å; E139-K241 PolarHBondContact O-NZ 2.95Å; E139-Y305 HydrophobicContact CG-CE2 4.24Å; E139-Y305 PolarHBondContact OE1-OH 3.07Å; E139-Y305 PolarHBondContact OE2-OH 3.27Å
140	Y	94.8	Very high	96.6	Very high	33 Å²	33	47.5 Å²	47.5	13%	0.129	25%	0.249	C	C	.	.	S	Bend	trans	-153.8	159.2	174.7	61.9	-79.1	0	0	0	108.8	Y138 E142 R302 Y305 L306	Y138-Y140 VanDerWaalsContact C-N 3.3Å; Y138-Y140 WeakPolarHBondContact CB-O 3.34Å; Y140-E142 HydrophobicContact CD2-CB 4.35Å; Y140-E142 HydrophobicContact CE2-CB 3.93Å; Y140-E142 HydrophobicContact CE2-CG 4.15Å; Y140-E142 VanDerWaalsContact CE2-OE2 3.32Å; Y140-E142 WeakPolarHBondContact CE2-OE2 3.3Å; Y140-E142 PolarHBondContact O-N 3.25Å; Y140-E142 PolarHBondContact OH-OE2 3.31Å; Y140-R302 HydrophobicContact CD2-CG 4.18Å; Y140-R302 HydrophobicContact CE2-CG 4.35Å; Y140-Y305 AromaticContact CD1-CD1 3.36Å; Y140-Y305 HydrophobicContact CD1-CD1 3.36Å; Y140-Y305 HydrophobicContact CD1-CD2 4.49Å; Y140-Y305 AromaticContact CD1-CE1 3.14Å; Y140-Y305 HydrophobicContact CD1-CE1 3.14Å; Y140-Y305 HydrophobicContact CD1-CE2 4.33Å; Y140-Y305 HydrophobicContact CD1-CG 4.06Å; Y140-Y305 AromaticContact CD1-CZ 3.68Å; Y140-Y305 AromaticContact CD2-CD1 3.73Å; Y140-Y305 HydrophobicContact CD2-CD1 3.73Å; Y140-Y305 HydrophobicContact CD2-CE1 4.31Å; Y140-Y305 HydrophobicContact CD2-CG 4.31Å; Y140-Y305 AromaticContact CE1-CD1 3.8Å; Y140-Y305 HydrophobicContact CE1-CD1 3.8Å; Y140-Y305 AromaticContact CE1-CE1 3.36Å; Y140-Y305 HydrophobicContact CE1-CE1 3.36Å; Y140-Y305 HydrophobicContact CE2-CD1 4.1Å; Y140-Y305 HydrophobicContact CE2-CE1 4.45Å; Y140-Y305 AromaticContact CG-CD1 3.34Å; Y140-Y305 HydrophobicContact CG-CD1 3.34Å; Y140-Y305 HydrophobicContact CG-CD2 4.42Å; Y140-Y305 AromaticContact CG-CE1 3.69Å; Y140-Y305 HydrophobicContact CG-CE1 3.69Å; Y140-Y305 AromaticContact CG-CG 3.76Å; Y140-Y305 HydrophobicContact CG-CG 3.76Å; Y140-L306 HydrophobicContact CE2-CD2 4.19Å
141	P	97.3	Very high	96.5	Very high	10 Å²	10	52 Å²	52	7%	0.065	27%	0.273	C	S	.	.			trans	-63.4	131.3	175.8	-19.7	32.2	0	0	0	111.1	L198 L199 N298 T301 R302	P141-L198 CarbonylContact C-O 3.56Å; P141-L198 VanDerWaalsContact CA-O 3.31Å; P141-L198 WeakPolarHBondContact CA-O 3.41Å; P141-L198 HydrophobicContact CB-CB 3.7Å; P141-L198 HydrophobicContact CB-CD1 4.45Å; P141-L199 HydrophobicContact CB-CD2 4.19Å; P141-L199 HydrophobicContact CB-CG 4.36Å; P141-L199 HydrophobicContact CG-CD2 4.25Å; P141-N298 HydrophobicContact CB-CB 3.76Å; P141-N298 HydrophobicContact CG-CB 4.09Å; P141-T301 HydrophobicContact CG-CG2 4.01Å; P141-R302 VanDerWaalsContact O-CB 3.3Å; P141-R302 WeakPolarHBondContact O-CB 3.48Å; P141-R302 WeakPolarHBondContact O-CD 3.45Å; P141-R302 VanDerWaalsContact O-CG 3.26Å; P141-R302 WeakPolarHBondContact O-CG 3.28Å
142	E	97.8	Very high	96.4	Very high	7 Å²	7	54.4 Å²	54.4	3%	0.033	29%	0.285	C	S	.	.			trans	-145.3	150.5	-177.6	-172	50.6	-75.3	0	0	111.3	Y140 D146 V147 L198 R302	Y140-E142 HydrophobicContact CD2-CB 4.35Å; Y140-E142 HydrophobicContact CE2-CB 3.93Å; Y140-E142 HydrophobicContact CE2-CG 4.15Å; Y140-E142 VanDerWaalsContact CE2-OE2 3.32Å; Y140-E142 WeakPolarHBondContact CE2-OE2 3.3Å; Y140-E142 PolarHBondContact O-N 3.25Å; Y140-E142 PolarHBondContact OH-OE2 3.31Å; E142-D146 HydrophobicContact CG-CB 3.83Å; E142-D146 WeakPolarHBondContact CG-O 3.49Å; E142-V147 HydrophobicContact CB-CG2 4.21Å; E142-V147 HydrophobicContact CG-CG2 4.27Å; E142-L198 PolarHBondContact N-O 3.33Å; E142-L198 CarbonylContact O-C 3.5Å; E142-L198 VanDerWaalsContact O-CA 3.26Å; E142-L198 WeakPolarHBondContact O-CA 3.44Å; E142-R302 VanDerWaalsContact CD-NH2 3.34Å; E142-R302 IonicContact OE1-CZ 3.21Å; E142-R302 IonicContact OE1-NE 2.69Å; E142-R302 PolarHBondContact OE1-NE 3.15Å; E142-R302 IonicContact OE1-NH2 2.78Å; E142-R302 PolarHBondContact OE1-NH2 3.48Å; E142-R302 IonicContact OE2-CZ 3.33Å; E142-R302 IonicContact OE2-NE 2.95Å; E142-R302 PolarHBondContact OE2-NE 3.34Å; E142-R302 IonicContact OE2-NH2 2.91Å; E142-R302 PolarHBondContact OE2-NH2 2.69Å
143	Y	98.1	Very high	96.2	Very high	89 Å²	89	55.6 Å²	55.6	35%	0.349	29%	0.293	S	S	.	.			trans	-62.2	140.9	171.3	-70.5	-84.4	0	0	0	109.4	L145 D146 V147 L198 M295 K299	Y143-L145 VanDerWaalsContact C-N 3.28Å; Y143-L145 PolarHBondContact O-N 2.98Å; Y143-L145 VanDerWaalsContact O-N 3.14Å; Y143-D146 WeakPolarHBondContact O-CA 3.47Å; Y143-D146 PolarHBondContact O-N 3.45Å; Y143-V147 WeakPolarHBondContact O-CG2 3.5Å; Y143-V147 PolarHBondContact O-N 2.94Å; Y143-L198 HydrophobicContact CD1-CD2 3.57Å; Y143-L198 HydrophobicContact CD2-CD2 3.94Å; Y143-L198 HydrophobicContact CE1-CD2 3.79Å; Y143-L198 HydrophobicContact CE2-CD2 4.15Å; Y143-L198 HydrophobicContact CG-CD2 3.66Å; Y143-M295 HydrophobicContact CE1-CE 3.74Å; Y143-K299 VanDerWaalsContact OH-CE 3.23Å; Y143-K299 WeakPolarHBondContact OH-CE 3.39Å
144	F	97.8	Very high	96.2	Very high	88 Å²	88	56.7 Å²	56.7	39%	0.386	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-52.1	-44.3	-170.3	178.5	-104.3	0	0	0	113.6	D146 V147 L150 I154 I201	F144-D146 VanDerWaalsContact C-N 3.32Å; F144-D146 PolarHBondContact O-N 2.94Å; F144-V147 WeakPolarHBondContact O-CG2 3.49Å; F144-L150 HydrophobicContact CD1-CD2 4.4Å; F144-L150 HydrophobicContact CD2-CD1 4.21Å; F144-L150 HydrophobicContact CE1-CD2 4.01Å; F144-L150 HydrophobicContact CE2-CD1 3.89Å; F144-L150 HydrophobicContact CE2-CD2 4.42Å; F144-L150 HydrophobicContact CZ-CD1 4.26Å; F144-L150 HydrophobicContact CZ-CD2 4.03Å; F144-L150 WeakPolarHBondContact O-CD2 3.39Å; F144-I154 HydrophobicContact CZ-CD1 4.28Å; F144-I201 HydrophobicContact CD2-CG1 4.46Å; F144-I201 HydrophobicContact CE2-CD1 4.07Å; F144-I201 HydrophobicContact CE2-CG1 4.09Å
145	L	97.8	Very high	96.2	Very high	145 Å²	145	61.3 Å²	61.3	76%	0.759	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-76.7	-17.2	-179.9	-61.3	179.2	0	0	0	113.9	Y143	Y143-L145 VanDerWaalsContact C-N 3.28Å; Y143-L145 PolarHBondContact O-N 2.98Å; Y143-L145 VanDerWaalsContact O-N 3.14Å
146	D	97.3	Very high	96.2	Very high	91 Å²	91	63.6 Å²	63.6	49%	0.487	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-96.3	-0.5	-177.6	-62.2	-25	0	0	0	112.1	E142 Y143 F144 P148	E142-D146 HydrophobicContact CG-CB 3.83Å; E142-D146 WeakPolarHBondContact CG-O 3.49Å; Y143-D146 WeakPolarHBondContact O-CA 3.47Å; Y143-D146 PolarHBondContact O-N 3.45Å; F144-D146 VanDerWaalsContact C-N 3.32Å; F144-D146 PolarHBondContact O-N 2.94Å; D146-P148 VanDerWaalsContact O-CD 3.31Å; D146-P148 WeakPolarHBondContact O-CD 3.49Å
147	V	97	Very high	96.3	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.067	31%	0.309	C	S	.	.	S	Bend	trans	-64.4	122	177	176.6	0	0	0	0	109.1	Y138 E142 Y143 F144 D149 L150 V153	Y138-V147 HydrophobicContact CD1-CG1 4.48Å; Y138-V147 HydrophobicContact CD1-CG2 4.41Å; Y138-V147 HydrophobicContact CE1-CG1 4.13Å; Y138-V147 HydrophobicContact CE1-CG2 3.76Å; E142-V147 HydrophobicContact CB-CG2 4.21Å; E142-V147 HydrophobicContact CG-CG2 4.27Å; Y143-V147 WeakPolarHBondContact O-CG2 3.5Å; Y143-V147 PolarHBondContact O-N 2.94Å; F144-V147 WeakPolarHBondContact O-CG2 3.49Å; V147-D149 PolarHBondContact O-N 3Å; V147-L150 HydrophobicContact CB-CB 4.31Å; V147-L150 HydrophobicContact CB-CD1 3.9Å; V147-L150 HydrophobicContact CG1-CD1 4.15Å; V147-L150 HydrophobicContact CG2-CD1 4.29Å; V147-L150 PolarHBondContact O-N 2.85Å; V147-V153 HydrophobicContact CG1-CB 4.17Å; V147-V153 HydrophobicContact CG1-CG1 4.13Å; V147-V153 HydrophobicContact CG1-CG2 3.98Å
148	P	95.3	Very high	96.4	Very high	82 Å²	82	63.6 Å²	63.6	53%	0.532	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	134.6	174.8	-22.4	33.8	0	0	0	111.1	D146 L150	D146-P148 VanDerWaalsContact O-CD 3.31Å; D146-P148 WeakPolarHBondContact O-CD 3.49Å; P148-L150 VanDerWaalsContact C-N 3.31Å; P148-L150 PolarHBondContact O-N 3.17Å
149	D	95.9	Very high	96.5	Very high	105 Å²	105	62.8 Å²	62.8	56%	0.561	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	45.9	179.4	-168.8	20.8	0	0	0	112.7	V147 D151 N152 V153	V147-D149 PolarHBondContact O-N 3Å; D149-D151 VanDerWaalsContact C-N 3.31Å; D149-D151 PolarHBondContact O-N 2.86Å; D149-N152 HydrophobicContact CB-CB 4.48Å; D149-N152 PolarHBondContact O-N 3.39Å; D149-N152 VanDerWaalsContact O-N 3.11Å; D149-N152 VanDerWaalsContact OD1-CB 3.27Å; D149-N152 WeakPolarHBondContact OD1-CB 3.36Å; D149-N152 WeakPolarHBondContact OD2-CB 3.35Å; D149-N152 PolarHBondContact OD2-ND2 2.78Å; D149-V153 WeakPolarHBondContact O-CG2 3.39Å; D149-V153 PolarHBondContact O-N 3.29Å
150	L	97.1	Very high	96.8	Very high	36 Å²	36	57.7 Å²	57.7	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-51.5	-43.3	-171.9	176.1	61.3	0	0	0	113.6	F144 V147 P148 N152 V153 I154 I201	F144-L150 HydrophobicContact CD1-CD2 4.4Å; F144-L150 HydrophobicContact CD2-CD1 4.21Å; F144-L150 HydrophobicContact CE1-CD2 4.01Å; F144-L150 HydrophobicContact CE2-CD1 3.89Å; F144-L150 HydrophobicContact CE2-CD2 4.42Å; F144-L150 HydrophobicContact CZ-CD1 4.26Å; F144-L150 HydrophobicContact CZ-CD2 4.03Å; F144-L150 WeakPolarHBondContact O-CD2 3.39Å; V147-L150 HydrophobicContact CB-CB 4.31Å; V147-L150 HydrophobicContact CB-CD1 3.9Å; V147-L150 HydrophobicContact CG1-CD1 4.15Å; V147-L150 HydrophobicContact CG2-CD1 4.29Å; V147-L150 PolarHBondContact O-N 2.85Å; P148-L150 VanDerWaalsContact C-N 3.31Å; P148-L150 PolarHBondContact O-N 3.17Å; L150-N152 PolarHBondContact O-N 3Å; L150-V153 PolarHBondContact O-N 2.87Å; L150-I154 HydrophobicContact CD1-CD1 3.89Å; L150-I154 HydrophobicContact CD1-CG1 3.96Å; L150-I154 HydrophobicContact CD2-CD1 4.48Å; L150-I154 HydrophobicContact CG-CD1 3.8Å; L150-I154 HydrophobicContact CG-CG1 4.33Å; L150-I154 VanDerWaalsContact O-CG1 3.27Å; L150-I154 WeakPolarHBondContact O-CG1 3.11Å; L150-I154 PolarHBondContact O-N 2.78Å; L150-I201 HydrophobicContact CD1-CD1 4.06Å
151	D	97.3	Very high	96.9	Very high	94 Å²	94	56.2 Å²	56.2	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-45.3	-179.8	-179.5	57.3	0	0	0	111.8	D149 I154 K155	D149-D151 VanDerWaalsContact C-N 3.31Å; D149-D151 PolarHBondContact O-N 2.86Å; D151-I154 PolarHBondContact O-N 3.17Å; D151-K155 WeakPolarHBondContact O-CG 3.39Å; D151-K155 PolarHBondContact O-N 2.98Å; D151-K155 WeakPolarHBondContact OD1-CE 3.36Å; D151-K155 IonicContact OD1-NZ 2.98Å; D151-K155 VanDerWaalsContact OD2-CE 3.3Å; D151-K155 WeakPolarHBondContact OD2-CE 3.32Å; D151-K155 IonicContact OD2-NZ 3.86Å; D151-K155 PolarHBondContact OD2-NZ 2.88Å
152	N	95.8	Very high	97	Very high	50 Å²	50	57.4 Å²	57.4	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-68.1	-38.9	176.7	-166.9	22.6	0	0	0	112	D149 L150 I154 K155 K156	D149-N152 HydrophobicContact CB-CB 4.48Å; D149-N152 PolarHBondContact O-N 3.39Å; D149-N152 VanDerWaalsContact O-N 3.11Å; D149-N152 VanDerWaalsContact OD1-CB 3.27Å; D149-N152 WeakPolarHBondContact OD1-CB 3.36Å; D149-N152 WeakPolarHBondContact OD2-CB 3.35Å; D149-N152 PolarHBondContact OD2-ND2 2.78Å; L150-N152 PolarHBondContact O-N 3Å; N152-I154 VanDerWaalsContact C-N 3.34Å; N152-K155 PolarHBondContact O-N 3.33Å; N152-K156 PolarHBondContact ND2-NZ 2.76Å; N152-K156 VanDerWaalsContact O-CB 3.31Å; N152-K156 WeakPolarHBondContact O-CB 3.38Å; N152-K156 WeakPolarHBondContact O-CG 3.36Å; N152-K156 PolarHBondContact O-N 3.42Å; N152-K156 WeakPolarHBondContact OD1-CD 3.43Å; N152-K156 WeakPolarHBondContact OD1-CE 3.39Å; N152-K156 PolarHBondContact OD1-NZ 3.44Å
153	V	96.5	Very high	97	Very high	28 Å²	28	59.2 Å²	59.2	17%	0.17	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-43.1	175.5	172.5	0	0	0	0	110.9	Y138 V147 D149 L150 M157 I201	Y138-V153 HydrophobicContact CE1-CG1 4.2Å; V147-V153 HydrophobicContact CG1-CB 4.17Å; V147-V153 HydrophobicContact CG1-CG1 4.13Å; V147-V153 HydrophobicContact CG1-CG2 3.98Å; D149-V153 WeakPolarHBondContact O-CG2 3.39Å; D149-V153 PolarHBondContact O-N 3.29Å; L150-V153 PolarHBondContact O-N 2.87Å; V153-M157 HydrophobicContact CG1-CE 4.17Å; V153-M157 WeakPolarHBondContact O-CB 3.5Å; V153-M157 PolarHBondContact O-N 2.94Å; V153-I201 HydrophobicContact CG1-CD1 4.34Å
154	I	97	Very high	97	Very high	50 Å²	50	55 Å²	55	26%	0.256	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-56.4	174.9	-70.4	164.5	0	0	0	109.8	F144 L150 D151 N152 K156 M157 I158 I201	F144-I154 HydrophobicContact CZ-CD1 4.28Å; L150-I154 HydrophobicContact CD1-CD1 3.89Å; L150-I154 HydrophobicContact CD1-CG1 3.96Å; L150-I154 HydrophobicContact CD2-CD1 4.48Å; L150-I154 HydrophobicContact CG-CD1 3.8Å; L150-I154 HydrophobicContact CG-CG1 4.33Å; L150-I154 VanDerWaalsContact O-CG1 3.27Å; L150-I154 WeakPolarHBondContact O-CG1 3.11Å; L150-I154 PolarHBondContact O-N 2.78Å; D151-I154 PolarHBondContact O-N 3.17Å; N152-I154 VanDerWaalsContact C-N 3.34Å; I154-K156 PolarHBondContact O-N 2.9Å; I154-M157 PolarHBondContact O-N 2.82Å; I154-I158 HydrophobicContact CG2-CD1 3.7Å; I154-I158 WeakPolarHBondContact O-CB 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.37Å; I154-I158 PolarHBondContact O-N 2.9Å; I154-I201 HydrophobicContact CB-CD1 4.42Å; I154-I201 HydrophobicContact CG1-CD1 3.46Å; I154-I201 VanDerWaalsContact CG1-CD1 3.46Å; I154-I201 HydrophobicContact CG1-CG1 4.46Å
155	K	96.2	Very high	97.1	Very high	122 Å²	122	51 Å²	51	53%	0.53	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-51.2	-177.2	-70.7	172.1	-174	165.5	0	112	D151 N152 M157 I158 N159	D151-K155 WeakPolarHBondContact O-CG 3.39Å; D151-K155 PolarHBondContact O-N 2.98Å; D151-K155 WeakPolarHBondContact OD1-CE 3.36Å; D151-K155 IonicContact OD1-NZ 2.98Å; D151-K155 VanDerWaalsContact OD2-CE 3.3Å; D151-K155 WeakPolarHBondContact OD2-CE 3.32Å; D151-K155 IonicContact OD2-NZ 3.86Å; D151-K155 PolarHBondContact OD2-NZ 2.88Å; N152-K155 PolarHBondContact O-N 3.33Å; K155-M157 PolarHBondContact O-N 3.25Å; K155-I158 PolarHBondContact O-N 3.48Å; K155-N159 WeakPolarHBondContact O-CB 3.31Å; K155-N159 PolarHBondContact O-N 3.2Å
156	K	95.9	Very high	97.1	Very high	73 Å²	73	45.9 Å²	45.9	32%	0.317	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-43.3	-178.8	-75.1	175.1	172	163.9	0	112.4	M136 N152 I154 N159 I160	M136-K156 HydrophobicContact CE-CB 4.32Å; M136-K156 HydrophobicContact SD-CB 3.68Å; N152-K156 PolarHBondContact ND2-NZ 2.76Å; N152-K156 VanDerWaalsContact O-CB 3.31Å; N152-K156 WeakPolarHBondContact O-CB 3.38Å; N152-K156 WeakPolarHBondContact O-CG 3.36Å; N152-K156 PolarHBondContact O-N 3.42Å; N152-K156 WeakPolarHBondContact OD1-CD 3.43Å; N152-K156 WeakPolarHBondContact OD1-CE 3.39Å; N152-K156 PolarHBondContact OD1-NZ 3.44Å; I154-K156 PolarHBondContact O-N 2.9Å; K156-N159 PolarHBondContact O-N 2.99Å; K156-I160 WeakPolarHBondContact O-CB 3.38Å; K156-I160 WeakPolarHBondContact O-CG1 3.44Å; K156-I160 PolarHBondContact O-N 3.37Å
157	M	96.7	Very high	97.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.9	-37.5	-177.2	-163.9	174.6	-65.9	0	0	111.7	M136 Y138 V153 I154 K155 N161 I201 Y202 T205	M136-M157 HydrophobicContact CG-CB 4.29Å; M136-M157 HydrophobicContact CG-CG 4.14Å; M136-M157 HydrophobicContact SD-CB 4.3Å; Y138-M157 HydrophobicContact CD2-CE 3.92Å; Y138-M157 HydrophobicContact CE2-CE 3.93Å; Y138-M157 HydrophobicContact CE2-SD 4.24Å; Y138-M157 HydrophobicContact CG-CE 4.3Å; V153-M157 HydrophobicContact CG1-CE 4.17Å; V153-M157 WeakPolarHBondContact O-CB 3.5Å; V153-M157 PolarHBondContact O-N 2.94Å; I154-M157 PolarHBondContact O-N 2.82Å; K155-M157 PolarHBondContact O-N 3.25Å; M157-N161 WeakPolarHBondContact CG-ND2 3.41Å; M157-N161 WeakPolarHBondContact O-CB 3.31Å; M157-N161 PolarHBondContact O-N 3.47Å; M157-I201 HydrophobicContact CB-CG2 4.02Å; M157-I201 HydrophobicContact CG-CG2 4.05Å; M157-I201 HydrophobicContact SD-CB 3.78Å; M157-I201 HydrophobicContact SD-CG2 3.59Å; M157-I201 VanDerWaalsContact SD-CG2 3.59Å; M157-Y202 WeakPolarHBondContact SD-CA 2.96Å; M157-Y202 HydrophobicContact SD-CD2 4.4Å; M157-Y202 PolarHBondContact SD-N 3.47Å; M157-T205 HydrophobicContact CG-CG2 4.25Å
158	I	97.3	Very high	97.2	Very high	77 Å²	77	44.6 Å²	44.6	40%	0.395	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-49.2	172.3	-68.3	171.5	0	0	0	110.2	I154 K155 I160 I162 L163	I154-I158 HydrophobicContact CG2-CD1 3.7Å; I154-I158 WeakPolarHBondContact O-CB 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.37Å; I154-I158 PolarHBondContact O-N 2.9Å; K155-I158 PolarHBondContact O-N 3.48Å; I158-I160 PolarHBondContact O-N 3.25Å; I158-I162 HydrophobicContact CG2-CB 4.48Å; I158-I162 HydrophobicContact CG2-CD1 4.46Å; I158-I162 WeakPolarHBondContact O-CA 3.32Å; I158-I162 VanDerWaalsContact O-CB 3.25Å; I158-I162 WeakPolarHBondContact O-CB 3.45Å; I158-I162 PolarHBondContact O-N 2.94Å; I158-L163 PolarHBondContact O-N 3.47Å; I158-L163 VanDerWaalsContact O-N 3.13Å
159	N	96.4	Very high	97.4	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	21%	0.207	C	C	.	.	I	π-helix	trans	-59.2	-52.2	-179.4	-172.2	18.5	0	0	0	111.4	F109 T110 L111 K155 K156 L163 S164	F109-N159 PolarHBondContact O-ND2 3.43Å; T110-N159 PolarHBondContact O-ND2 3.17Å; L111-N159 PolarHBondContact O-ND2 2.97Å; K155-N159 WeakPolarHBondContact O-CB 3.31Å; K155-N159 PolarHBondContact O-N 3.2Å; K156-N159 PolarHBondContact O-N 2.99Å; N159-L163 WeakPolarHBondContact O-CB 3.36Å; N159-L163 PolarHBondContact O-N 3.48Å; N159-L163 VanDerWaalsContact OD1-CD2 3.22Å; N159-L163 WeakPolarHBondContact OD1-CD2 3.14Å; N159-S164 PolarHBondContact O-N 3.5Å; N159-S164 VanDerWaalsContact O-N 3.08Å
160	I	97.1	Very high	97.5	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.062	21%	0.208	C	C	.	.	I	π-helix	trans	-70.1	-44.7	-177.2	-66.6	167.5	0	0	0	112.3	F109 T110 V134 M136 K156 I158 S164	F109-I160 HydrophobicContact CB-CG1 4.16Å; F109-I160 WeakPolarHBondContact O-CG1 3.29Å; T110-I160 HydrophobicContact CG2-CD1 3.43Å; T110-I160 VanDerWaalsContact CG2-CD1 3.43Å; T110-I160 HydrophobicContact CG2-CG1 4.23Å; V134-I160 HydrophobicContact CG2-CG2 4.17Å; M136-I160 HydrophobicContact CB-CD1 4.31Å; M136-I160 HydrophobicContact CG-CB 4.27Å; M136-I160 HydrophobicContact CG-CD1 3.98Å; M136-I160 HydrophobicContact CG-CG2 4.42Å; M136-I160 HydrophobicContact SD-CD1 3.47Å; M136-I160 WeakPolarHBondContact SD-CD1 2.77Å; M136-I160 HydrophobicContact SD-CG1 4.47Å; K156-I160 WeakPolarHBondContact O-CB 3.38Å; K156-I160 WeakPolarHBondContact O-CG1 3.44Å; K156-I160 PolarHBondContact O-N 3.37Å; I158-I160 PolarHBondContact O-N 3.25Å; I160-S164 WeakPolarHBondContact O-CB 3.37Å; I160-S164 PolarHBondContact O-OG 2.94Å
161	N	98.1	Very high	97.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.212	C	C	.	.	I	π-helix	trans	-88.4	-27.2	-171.3	-64.6	-6.2	0	0	0	113.4	G135 M136 M157 V165 T205 V209	G135-N161 WeakPolarHBondContact CA-OD1 3.36Å; M136-N161 PolarHBondContact N-OD1 3.22Å; M136-N161 PolarHBondContact O-ND2 3.43Å; M136-N161 PolarHBondContact O-OD1 2.91Å; M157-N161 WeakPolarHBondContact CG-ND2 3.41Å; M157-N161 WeakPolarHBondContact O-CB 3.31Å; M157-N161 PolarHBondContact O-N 3.47Å; N161-V165 WeakPolarHBondContact O-CG2 3.47Å; N161-T205 HydrophobicContact CB-CG2 4.23Å; N161-T205 PolarHBondContact ND2-OG1 2.88Å; N161-V209 VanDerWaalsContact O-CG2 3.27Å; N161-V209 WeakPolarHBondContact O-CG2 3.41Å
162	I	98.4	Very high	97.7	Very high	35 Å²	35	38.2 Å²	38.2	18%	0.179	19%	0.189	C	C	.	.	I	π-helix	trans	-108	-58.9	-175.7	-66.7	176.9	0	0	0	110.9	I158 S164 V165 C166 T205 F208	I158-I162 HydrophobicContact CG2-CB 4.48Å; I158-I162 HydrophobicContact CG2-CD1 4.46Å; I158-I162 WeakPolarHBondContact O-CA 3.32Å; I158-I162 VanDerWaalsContact O-CB 3.25Å; I158-I162 WeakPolarHBondContact O-CB 3.45Å; I158-I162 PolarHBondContact O-N 2.94Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 2.65Å; I162-V165 PolarHBondContact O-N 2.87Å; I162-C166 PolarHBondContact O-N 3.19Å; I162-C166 PolarHBondContact O-SG 2.92Å; I162-C166 VanDerWaalsContact O-SG 3.32Å; I162-T205 HydrophobicContact CD1-CG2 3.77Å; I162-T205 HydrophobicContact CG1-CG2 4.02Å; I162-F208 HydrophobicContact CB-CD1 4.15Å; I162-F208 HydrophobicContact CB-CE1 4.33Å; I162-F208 HydrophobicContact CD1-CB 4.07Å; I162-F208 HydrophobicContact CD1-CD1 4.33Å; I162-F208 HydrophobicContact CD1-CD2 4.43Å; I162-F208 HydrophobicContact CD1-CG 4.01Å; I162-F208 HydrophobicContact CG1-CB 4.18Å; I162-F208 HydrophobicContact CG1-CD1 3.78Å; I162-F208 HydrophobicContact CG1-CE1 4.44Å; I162-F208 HydrophobicContact CG1-CG 3.97Å; I162-F208 HydrophobicContact CG2-CD1 3.75Å; I162-F208 HydrophobicContact CG2-CD2 4.38Å; I162-F208 HydrophobicContact CG2-CE1 3.53Å; I162-F208 HydrophobicContact CG2-CE2 4.15Å; I162-F208 HydrophobicContact CG2-CG 4.21Å; I162-F208 HydrophobicContact CG2-CZ 3.73Å
163	L	98.4	Very high	97.8	Very high	45 Å²	45	36.5 Å²	36.5	24%	0.236	18%	0.18	C	C	.	.	I	π-helix	trans	-63.4	-41.5	-171.7	-174.8	61.9	0	0	0	111.1	E112 I158 N159 V165 C166 K167	E112-L163 HydrophobicContact CG-CD2 4.02Å; I158-L163 PolarHBondContact O-N 3.47Å; I158-L163 VanDerWaalsContact O-N 3.13Å; N159-L163 WeakPolarHBondContact O-CB 3.36Å; N159-L163 PolarHBondContact O-N 3.48Å; N159-L163 VanDerWaalsContact OD1-CD2 3.22Å; N159-L163 WeakPolarHBondContact OD1-CD2 3.14Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 2.91Å; L163-C166 PolarHBondContact O-N 3.22Å; L163-K167 HydrophobicContact CD1-CG 3.84Å; L163-K167 HydrophobicContact CG-CG 3.97Å; L163-K167 WeakPolarHBondContact O-CB 3.32Å; L163-K167 WeakPolarHBondContact O-CG 3.36Å; L163-K167 PolarHBondContact O-N 3.32Å
164	S	98.2	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.1	-44.4	177.8	78.3	0	0	0	0	113.1	F109 Y115 N159 I160 I162 C166 K167 M168	F109-S164 VanDerWaalsContact CD1-CB 3.49Å; Y115-S164 VanDerWaalsContact OH-CA 3.26Å; Y115-S164 WeakPolarHBondContact OH-CA 3.17Å; Y115-S164 PolarHBondContact OH-N 3.41Å; N159-S164 PolarHBondContact O-N 3.5Å; N159-S164 VanDerWaalsContact O-N 3.08Å; I160-S164 WeakPolarHBondContact O-CB 3.37Å; I160-S164 PolarHBondContact O-OG 2.94Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 2.65Å; S164-C166 PolarHBondContact O-N 2.94Å; S164-K167 PolarHBondContact O-N 3.32Å; S164-M168 VanDerWaalsContact O-CB 3.24Å; S164-M168 WeakPolarHBondContact O-CB 3.41Å; S164-M168 WeakPolarHBondContact O-CG 3.42Å; S164-M168 PolarHBondContact O-N 2.87Å
165	V	98.6	Very high	98	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.036	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-46	-179.9	-179.7	0	0	0	0	109.9	N132 N161 I162 L163 T169 V209 F212	N132-V165 HydrophobicContact CB-CG1 4.35Å; N132-V165 HydrophobicContact CB-CG2 4.24Å; N161-V165 WeakPolarHBondContact O-CG2 3.47Å; I162-V165 PolarHBondContact O-N 2.87Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 2.91Å; V165-T169 VanDerWaalsContact O-CB 3.28Å; V165-T169 WeakPolarHBondContact O-CB 3.27Å; V165-T169 PolarHBondContact O-N 3.21Å; V165-T169 PolarHBondContact O-OG1 2.9Å; V165-T169 VanDerWaalsContact O-OG1 3.06Å; V165-V209 HydrophobicContact CG2-CG2 4.03Å; V165-F212 HydrophobicContact CG1-CD1 3.79Å; V165-F212 HydrophobicContact CG1-CE1 3.71Å
166	C	98.7	Very high	98.1	Very high	36 Å²	36	31.9 Å²	31.9	24%	0.243	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-48.7	179.5	-59.6	0	0	0	0	111.7	I162 L163 S164 T169 Q170 F212	I162-C166 PolarHBondContact O-N 3.19Å; I162-C166 PolarHBondContact O-SG 2.92Å; I162-C166 VanDerWaalsContact O-SG 3.32Å; L163-C166 PolarHBondContact O-N 3.22Å; S164-C166 PolarHBondContact O-N 2.94Å; C166-T169 PolarHBondContact O-N 3.24Å; C166-Q170 WeakPolarHBondContact O-CB 3.43Å; C166-Q170 PolarHBondContact O-N 3.46Å; C166-F212 HydrophobicContact CB-CZ 4.46Å
167	K	98.6	Very high	98.2	Very high	75 Å²	75	30.2 Å²	30.2	33%	0.326	17%	0.166	S	C	.	.	H	α-helix	trans	-69.3	-43.7	-176.5	-71.7	-72.7	-174.7	178.3	0	112.4	Y115 L163 S164 T169 Q170 L171	Y115-K167 HydrophobicContact CD1-CB 3.52Å; Y115-K167 HydrophobicContact CD1-CG 4.23Å; Y115-K167 HydrophobicContact CD2-CB 4.27Å; Y115-K167 HydrophobicContact CD2-CD 4.32Å; Y115-K167 HydrophobicContact CD2-CG 4.08Å; Y115-K167 HydrophobicContact CE1-CB 3.25Å; Y115-K167 HydrophobicContact CE1-CG 3.95Å; Y115-K167 HydrophobicContact CE2-CB 4.07Å; Y115-K167 HydrophobicContact CE2-CD 4.48Å; Y115-K167 HydrophobicContact CE2-CG 3.8Å; Y115-K167 HydrophobicContact CG-CB 4.04Å; Y115-K167 HydrophobicContact CG-CD 4.48Å; Y115-K167 HydrophobicContact CG-CG 4.3Å; L163-K167 HydrophobicContact CD1-CG 3.84Å; L163-K167 HydrophobicContact CG-CG 3.97Å; L163-K167 WeakPolarHBondContact O-CB 3.32Å; L163-K167 WeakPolarHBondContact O-CG 3.36Å; L163-K167 PolarHBondContact O-N 3.32Å; S164-K167 PolarHBondContact O-N 3.32Å; K167-T169 VanDerWaalsContact C-N 3.33Å; K167-T169 PolarHBondContact O-N 2.97Å; K167-Q170 WeakPolarHBondContact O-CB 3.24Å; K167-Q170 PolarHBondContact O-N 3.48Å; K167-L171 WeakPolarHBondContact O-CG 3.17Å; K167-L171 PolarHBondContact O-N 3.22Å
168	M	98.8	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-41	176.4	-70.6	-58.3	-53.5	0	0	111.6	V54 T56 I80 F109 I118 L122 L130 N132 S164 L171 V172	V54-M168 HydrophobicContact CG1-CE 3.94Å; T56-M168 HydrophobicContact CG2-CE 4.05Å; T56-M168 HydrophobicContact CG2-CG 4.03Å; T56-M168 HydrophobicContact CG2-SD 4.33Å; I80-M168 HydrophobicContact CD1-CE 3.76Å; F109-M168 HydrophobicContact CE1-CG 4.2Å; F109-M168 HydrophobicContact CE1-SD 4.28Å; F109-M168 HydrophobicContact CZ-CG 4.48Å; F109-M168 HydrophobicContact CZ-SD 4.29Å; I118-M168 HydrophobicContact CD1-SD 3.8Å; I118-M168 HydrophobicContact CG2-CE 3.94Å; I118-M168 HydrophobicContact CG2-SD 3.85Å; L122-M168 HydrophobicContact CD1-CE 4.32Å; L130-M168 HydrophobicContact CD1-CB 4.37Å; L130-M168 HydrophobicContact CD1-CE 4.07Å; L130-M168 HydrophobicContact CD2-CB 4.1Å; N132-M168 WeakPolarHBondContact OD1-CB 3.43Å; S164-M168 VanDerWaalsContact O-CB 3.24Å; S164-M168 WeakPolarHBondContact O-CB 3.41Å; S164-M168 WeakPolarHBondContact O-CG 3.42Å; S164-M168 PolarHBondContact O-N 2.87Å; M168-L171 PolarHBondContact O-N 3.5Å; M168-L171 HydrophobicContact SD-CD1 4.37Å; M168-V172 WeakPolarHBondContact O-CG2 3.18Å; M168-V172 PolarHBondContact O-N 3.25Å
169	T	98.8	Very high	98.3	Very high	4 Å²	4	38 Å²	38	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-45.2	172.4	-68.8	0	0	0	0	111.4	N132 V165 C166 K167 L171 V172 L173 I184 F212 L216	N132-T169 PolarHBondContact ND2-OG1 3.32Å; V165-T169 VanDerWaalsContact O-CB 3.28Å; V165-T169 WeakPolarHBondContact O-CB 3.27Å; V165-T169 PolarHBondContact O-N 3.21Å; V165-T169 PolarHBondContact O-OG1 2.9Å; V165-T169 VanDerWaalsContact O-OG1 3.06Å; C166-T169 PolarHBondContact O-N 3.24Å; K167-T169 VanDerWaalsContact C-N 3.33Å; K167-T169 PolarHBondContact O-N 2.97Å; T169-L171 VanDerWaalsContact C-N 3.25Å; T169-L171 PolarHBondContact O-N 3.01Å; T169-V172 PolarHBondContact O-N 3.06Å; T169-L173 HydrophobicContact CG2-CB 4.21Å; T169-L173 HydrophobicContact CG2-CD2 4.11Å; T169-L173 WeakPolarHBondContact O-CB 3.4Å; T169-L173 PolarHBondContact O-N 2.82Å; T169-I184 HydrophobicContact CG2-CD1 3.87Å; T169-F212 HydrophobicContact CG2-CE1 4.5Å; T169-F212 HydrophobicContact CG2-CZ 4.32Å; T169-L216 HydrophobicContact CG2-CD1 3.73Å
170	Q	98.6	Very high	98.4	Very high	123 Å²	123	41.1 Å²	41.1	58%	0.575	22%	0.22	S	C	*	.	H	α-helix	trans	-56.8	-37.7	176.5	-176.4	-177.3	26.3	0	0	112.6	C166 K167 P174	C166-Q170 WeakPolarHBondContact O-CB 3.43Å; C166-Q170 PolarHBondContact O-N 3.46Å; K167-Q170 WeakPolarHBondContact O-CB 3.24Å; K167-Q170 PolarHBondContact O-N 3.48Å; Q170-P174 WeakPolarHBondContact O-CD 3.43Å
171	L	98.6	Very high	98.4	Very high	52 Å²	52	43.8 Å²	43.8	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-71.7	-34.5	-179.9	-71	175.2	0	0	0	113.3	Y115 I118 K119 K167 M168 T169	Y115-L171 HydrophobicContact CD1-CD1 4.36Å; I118-L171 HydrophobicContact CB-CD1 4.26Å; I118-L171 HydrophobicContact CG2-CD1 3.92Å; K119-L171 HydrophobicContact CB-CD2 3.8Å; K119-L171 HydrophobicContact CD-CD2 4.17Å; K119-L171 HydrophobicContact CG-CD2 3.96Å; K167-L171 WeakPolarHBondContact O-CG 3.17Å; K167-L171 PolarHBondContact O-N 3.22Å; M168-L171 PolarHBondContact O-N 3.5Å; M168-L171 HydrophobicContact SD-CD1 4.37Å; T169-L171 VanDerWaalsContact C-N 3.25Å; T169-L171 PolarHBondContact O-N 3.01Å
172	V	98.6	Very high	98.3	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-100.6	-36	-169.7	176.5	0	0	0	0	113	L122 I127 L130 M168 T169 P174 G175 M176	L122-V172 HydrophobicContact CD1-CG2 4.22Å; I127-V172 HydrophobicContact CB-CG1 3.89Å; I127-V172 HydrophobicContact CD1-CG1 4.28Å; I127-V172 HydrophobicContact CD1-CG2 3.87Å; I127-V172 HydrophobicContact CG2-CG1 3.46Å; I127-V172 VanDerWaalsContact CG2-CG1 3.46Å; I127-V172 HydrophobicContact CG2-CG2 4.41Å; L130-V172 HydrophobicContact CB-CG1 4.27Å; L130-V172 HydrophobicContact CD1-CG2 4.46Å; L130-V172 HydrophobicContact CD2-CB 4.16Å; L130-V172 HydrophobicContact CD2-CG2 4.18Å; M168-V172 WeakPolarHBondContact O-CG2 3.18Å; M168-V172 PolarHBondContact O-N 3.25Å; T169-V172 PolarHBondContact O-N 3.06Å; V172-P174 VanDerWaalsContact C-CD 3.46Å; V172-G175 PolarHBondContact O-N 2.82Å; V172-M176 HydrophobicContact CG1-CE 3.44Å; V172-M176 VanDerWaalsContact CG1-CE 3.44Å; V172-M176 HydrophobicContact CG1-CG 4.2Å; V172-M176 HydrophobicContact CG1-SD 3.94Å; V172-M176 PolarHBondContact O-N 3.36Å
173	L	98.6	Very high	98.3	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-40.8	-172.4	-178.4	61.1	0	0	0	114.3	T169 G175 M176 V177 I184 L216 Y220 I225	T169-L173 HydrophobicContact CG2-CB 4.21Å; T169-L173 HydrophobicContact CG2-CD2 4.11Å; T169-L173 WeakPolarHBondContact O-CB 3.4Å; T169-L173 PolarHBondContact O-N 2.82Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.36Å; L173-M176 PolarHBondContact O-N 3.47Å; L173-M176 VanDerWaalsContact O-N 3.14Å; L173-V177 HydrophobicContact CD1-CG2 3.89Å; L173-V177 HydrophobicContact CG-CG2 4.14Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.01Å; L173-I184 HydrophobicContact CB-CD1 4.46Å; L173-I184 HydrophobicContact CD1-CD1 4.07Å; L173-L216 HydrophobicContact CD2-CD2 4.45Å; L173-Y220 HydrophobicContact CD1-CD1 4.2Å; L173-Y220 HydrophobicContact CD1-CG 4.37Å; L173-Y220 HydrophobicContact CD2-CD1 4.27Å; L173-Y220 HydrophobicContact CD2-CD2 4.17Å; L173-Y220 HydrophobicContact CD2-CE1 3.9Å; L173-Y220 HydrophobicContact CD2-CE2 3.81Å; L173-Y220 HydrophobicContact CD2-CG 4.41Å; L173-Y220 HydrophobicContact CG-CD1 4.46Å; L173-Y220 HydrophobicContact CG-CE1 4.29Å; L173-I225 HydrophobicContact CD1-CG1 4.27Å; L173-I225 HydrophobicContact CD1-CG2 3.95Å
174	P	98.5	Very high	98.4	Very high	81 Å²	81	40.1 Å²	40.1	53%	0.526	21%	0.213	S	C	.	.	H	α-helix	trans	-55.8	-46	-179.2	-27.3	36.1	0	0	0	113.3	Q170 V172 M176 V177 E178	Q170-P174 WeakPolarHBondContact O-CD 3.43Å; V172-P174 VanDerWaalsContact C-CD 3.46Å; P174-M176 PolarHBondContact O-N 3.36Å; P174-V177 PolarHBondContact O-N 3.31Å; P174-E178 PolarHBondContact O-N 3.15Å
175	G	98.3	Very high	98.4	Very high	22 Å²	22	40.1 Å²	40.1	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-34.4	179	0	0	0	0	0	112.9	V172 L173 R179	V172-G175 PolarHBondContact O-N 2.82Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.36Å; G175-R179 VanDerWaalsContact C-NH1 3.28Å; G175-R179 WeakPolarHBondContact O-CG 3.44Å; G175-R179 VanDerWaalsContact O-CZ 3.29Å; G175-R179 PolarHBondContact O-N 3.42Å; G175-R179 PolarHBondContact O-NH1 3.32Å
176	M	98.6	Very high	98.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-43.2	173.4	-67.1	177.3	166.4	0	0	111.3	I127 G128 L130 V172 L173 P174 R179 S180 K181 A183 I184 I225	I127-M176 HydrophobicContact CG2-CE 4.22Å; G128-M176 WeakPolarHBondContact O-CE 3.3Å; L130-M176 HydrophobicContact CB-CE 4.38Å; V172-M176 HydrophobicContact CG1-CE 3.44Å; V172-M176 VanDerWaalsContact CG1-CE 3.44Å; V172-M176 HydrophobicContact CG1-CG 4.2Å; V172-M176 HydrophobicContact CG1-SD 3.94Å; V172-M176 PolarHBondContact O-N 3.36Å; L173-M176 PolarHBondContact O-N 3.47Å; L173-M176 VanDerWaalsContact O-N 3.14Å; P174-M176 PolarHBondContact O-N 3.36Å; M176-R179 CarbonylContact O-C 3.54Å; M176-R179 PolarHBondContact O-N 3.27Å; M176-S180 PolarHBondContact O-N 3.34Å; M176-K181 PolarHBondContact O-N 3.1Å; M176-K181 VanDerWaalsContact O-N 3.13Å; M176-A183 WeakPolarHBondContact CE-O 3.3Å; M176-I184 HydrophobicContact CE-CG1 4.33Å; M176-I184 HydrophobicContact SD-CD1 4.29Å; M176-I184 HydrophobicContact SD-CG1 3.92Å; M176-I225 HydrophobicContact CB-CD1 3.72Å; M176-I225 WeakPolarHBondContact O-CD1 3.37Å
177	V	98.6	Very high	98.4	Very high	37 Å²	37	38.5 Å²	38.5	22%	0.224	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-43.7	179.6	170.2	0	0	0	0	111.4	L173 P174 R179 S180 Y220 K223 I225	L173-V177 HydrophobicContact CD1-CG2 3.89Å; L173-V177 HydrophobicContact CG-CG2 4.14Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.01Å; P174-V177 PolarHBondContact O-N 3.31Å; V177-R179 PolarHBondContact O-N 2.91Å; V177-S180 PolarHBondContact O-N 2.78Å; V177-Y220 HydrophobicContact CG2-CD1 3.62Å; V177-Y220 HydrophobicContact CG2-CE1 3.89Å; V177-K223 HydrophobicContact CG1-CD 4.06Å; V177-I225 HydrophobicContact CG2-CD1 4.42Å; V177-I225 HydrophobicContact CG2-CG1 3.98Å
178	E	98.3	Very high	98.4	Very high	169 Å²	169	35.1 Å²	35.1	79%	0.79	19%	0.187	S	C	*	.	H	α-helix	trans	-54.7	-38.9	176.2	-175.8	178.9	-175.4	0	0	111.9	P174	P174-E178 PolarHBondContact O-N 3.15Å
179	R	97.6	Very high	98.3	Very high	71 Å²	71	35.6 Å²	35.6	27%	0.268	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.5	178.5	-56.5	-174	-49.7	-87.9	-3.6	113.9	E126 I127 G175 M176 V177 K181	E126-R179 VanDerWaalsContact CG-CZ 3.46Å; E126-R179 VanDerWaalsContact CG-NE 3.35Å; E126-R179 IonicContact OE1-NE 3.5Å; I127-R179 PolarHBondContact O-NH2 3Å; G175-R179 VanDerWaalsContact C-NH1 3.28Å; G175-R179 WeakPolarHBondContact O-CG 3.44Å; G175-R179 VanDerWaalsContact O-CZ 3.29Å; G175-R179 PolarHBondContact O-N 3.42Å; G175-R179 PolarHBondContact O-NH1 3.32Å; M176-R179 CarbonylContact O-C 3.54Å; M176-R179 PolarHBondContact O-N 3.27Å; V177-R179 PolarHBondContact O-N 2.91Å; R179-K181 HydrophobicContact CB-CG 3.98Å; R179-K181 PolarHBondContact O-N 2.67Å; R179-K181 VanDerWaalsContact O-N 3.13Å
180	S	97.8	Very high	98.1	Very high	76 Å²	76	35.5 Å²	35.5	53%	0.531	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	32.5	-174.1	-60.4	0	0	0	0	114.3	M176 V177 K223	M176-S180 PolarHBondContact O-N 3.34Å; V177-S180 PolarHBondContact O-N 2.78Å; S180-K223 CarbonylContact C-O 3.56Å; S180-K223 VanDerWaalsContact CA-O 3.31Å; S180-K223 WeakPolarHBondContact CA-O 3.26Å
181	K	96.9	Very high	97.9	Very high	68 Å²	68	30.9 Å²	30.9	30%	0.296	17%	0.172	S	C	.	.			trans	-154.3	137.8	-179.9	68.1	-178.9	-171.5	164.9	0	111	G48 E126 M176 R179	G48-K181 WeakPolarHBondContact O-CD 3.48Å; G48-K181 PolarHBondContact O-NZ 2.89Å; E126-K181 VanDerWaalsContact OE1-CE 3.25Å; E126-K181 WeakPolarHBondContact OE1-CE 3.37Å; E126-K181 IonicContact OE1-NZ 2.97Å; E126-K181 PolarHBondContact OE1-NZ 3.42Å; M176-K181 PolarHBondContact O-N 3.1Å; M176-K181 VanDerWaalsContact O-N 3.13Å; R179-K181 HydrophobicContact CB-CG 3.98Å; R179-K181 PolarHBondContact O-N 2.67Å; R179-K181 VanDerWaalsContact O-N 3.13Å
182	G	97.9	Very high	97.7	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	162.6	173.6	0	0	0	0	0	112.5	G128 F226	G128-G182 CarbonylContact O-C 3.56Å; G128-G182 WeakPolarHBondContact O-CA 3.25Å; G182-F226 PolarHBondContact O-N 3.43Å
183	A	98.4	Very high	97.5	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.8	174.8	0	0	0	0	0	112.6	L49 G128 I129 L130 M176 F226 V263	L49-A183 HydrophobicContact CD1-CB 4.16Å; G128-A183 PolarHBondContact O-N 3.17Å; I129-A183 CarbonylContact C-O 3.56Å; I129-A183 VanDerWaalsContact CA-O 3.27Å; I129-A183 WeakPolarHBondContact CA-O 3.04Å; I129-A183 HydrophobicContact CG1-CB 4.3Å; L130-A183 PolarHBondContact N-O 2.78Å; M176-A183 WeakPolarHBondContact CE-O 3.3Å; A183-F226 CarbonylContact C-O 3.59Å; A183-F226 WeakPolarHBondContact CA-O 3.25Å; A183-F226 HydrophobicContact CB-CB 4.48Å; A183-V263 HydrophobicContact CB-CG1 4.43Å
184	I	98.9	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.4	173	-59	175.1	0	0	0	108.4	L130 T169 L173 M176 N186 F226 V227 Q228	L130-I184 HydrophobicContact CB-CG1 4.35Å; L130-I184 HydrophobicContact CD2-CG2 4.28Å; L130-I184 CarbonylContact O-C 3.56Å; L130-I184 WeakPolarHBondContact O-CA 3.26Å; T169-I184 HydrophobicContact CG2-CD1 3.87Å; L173-I184 HydrophobicContact CB-CD1 4.46Å; L173-I184 HydrophobicContact CD1-CD1 4.07Å; M176-I184 HydrophobicContact CE-CG1 4.33Å; M176-I184 HydrophobicContact SD-CD1 4.29Å; M176-I184 HydrophobicContact SD-CG1 3.92Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.38Å; I184-F226 PolarHBondContact N-O 3.31Å; I184-V227 HydrophobicContact CB-CG1 4.21Å; I184-V227 HydrophobicContact CB-CG2 4.24Å; I184-V227 HydrophobicContact CD1-CG2 4.44Å; I184-V227 HydrophobicContact CG2-CG1 4.39Å; I184-V227 CarbonylContact O-C 3.51Å; I184-V227 WeakPolarHBondContact O-CA 3.29Å; I184-Q228 PolarHBondContact O-N 3.18Å
185	L	98.8	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.6	178.3	-48.2	-174.3	0	0	0	108.6	Y66 I129 L130 V131 N132 Q228 V263	Y66-L185 HydrophobicContact CD1-CD1 4.35Å; Y66-L185 HydrophobicContact CE1-CD1 3.82Å; I129-L185 HydrophobicContact CG2-CD1 4.44Å; I129-L185 HydrophobicContact CG2-CG 4.45Å; L130-L185 PolarHBondContact O-N 3.24Å; V131-L185 CarbonylContact C-O 3.5Å; V131-L185 WeakPolarHBondContact CA-O 3.5Å; V131-L185 HydrophobicContact CG2-CB 4.36Å; V131-L185 HydrophobicContact CG2-CD1 4.17Å; N132-L185 PolarHBondContact N-O 2.63Å; L185-Q228 HydrophobicContact CD2-CB 3.76Å; L185-V263 HydrophobicContact CD1-CG2 4.01Å; L185-V263 HydrophobicContact CD2-CG1 4.06Å; L185-V263 HydrophobicContact CD2-CG2 3.79Å
186	N	98.8	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.2	-180	-70.2	-23.1	0	0	0	109.7	N132 I184 S188 V209 S213 Q228 V230	N132-N186 VanDerWaalsContact CB-OD1 3.32Å; N132-N186 WeakPolarHBondContact CB-OD1 3.44Å; N132-N186 PolarHBondContact ND2-OD1 3.11Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.38Å; N186-S188 PolarHBondContact O-N 2.83Å; N186-S188 VanDerWaalsContact O-N 3.17Å; N186-V209 HydrophobicContact CB-CG1 3.85Å; N186-S213 WeakPolarHBondContact CB-OG 3.34Å; N186-S213 PolarHBondContact ND2-OG 3.06Å; N186-Q228 PolarHBondContact N-O 3.34Å; N186-V230 PolarHBondContact O-N 3.38Å
187	I	98.6	Very high	97	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	97.2	-179	-48.9	-51.7	0	0	0	109.5	Y66 V131 N132 N133 K206 V230 P232	Y66-I187 HydrophobicContact CD2-CD1 4.47Å; Y66-I187 HydrophobicContact CE2-CD1 3.68Å; V131-I187 HydrophobicContact CG1-CD1 4.41Å; V131-I187 HydrophobicContact CG1-CG1 4.29Å; N132-I187 PolarHBondContact O-N 2.78Å; N133-I187 HydrophobicContact CB-CB 4.35Å; N133-I187 HydrophobicContact CB-CG1 3.73Å; I187-K206 PolarHBondContact O-NZ 2.86Å; I187-V230 HydrophobicContact CD1-CB 3.84Å; I187-V230 HydrophobicContact CD1-CG1 4.37Å; I187-V230 HydrophobicContact CD1-CG2 3.98Å; I187-P232 HydrophobicContact CG2-CG 4.12Å
188	S	98.1	Very high	97	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.021	17%	0.169	C	C	.	.			trans	-81.4	-136.1	169.8	-176.6	0	0	0	0	110.3	N186 K206 V230	N186-S188 PolarHBondContact O-N 2.83Å; N186-S188 VanDerWaalsContact O-N 3.17Å; S188-K206 PolarHBondContact OG-O 3.23Å; S188-V230 CarbonylContact C-O 3.59Å; S188-V230 WeakPolarHBondContact CA-O 3.41Å; S188-V230 PolarHBondContact N-O 2.89Å
189	S	97.3	Very high	97	Very high	11 Å²	11	24.6 Å²	24.6	8%	0.077	14%	0.138	C	C	.	.			trans	-163.9	154.9	177	179.6	0	0	0	0	109.2	S191 G192 P232	S189-S191 PolarHBondContact O-N 2.94Å; S189-S191 VanDerWaalsContact O-N 3.11Å; S189-S191 PolarHBondContact OG-N 3.18Å; S189-S191 PolarHBondContact OG-OG 3.07Å; S189-G192 WeakPolarHBondContact O-CA 3.33Å; S189-G192 PolarHBondContact O-N 3.03Å; S189-P232 CarbonylContact C-O 3.25Å
190	G	95	Very high	97	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-55.7	-22.5	163.3	0	0	0	0	0	112.7	G192 M193 P232	G190-G192 PolarHBondContact O-N 3.16Å; G190-M193 WeakPolarHBondContact O-CB 3.34Å; G190-M193 PolarHBondContact O-N 3.32Å; G190-P232 PolarHBondContact N-O 3.36Å
191	S	94.7	Very high	97	Very high	25 Å²	25	21.7 Å²	21.7	18%	0.175	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-70.6	-12	171.4	-51.9	0	0	0	0	113.9	S189 F194 S203	S189-S191 PolarHBondContact O-N 2.94Å; S189-S191 VanDerWaalsContact O-N 3.11Å; S189-S191 PolarHBondContact OG-N 3.18Å; S189-S191 PolarHBondContact OG-OG 3.07Å; S191-F194 VanDerWaalsContact O-O 3.06Å; S191-S203 WeakPolarHBondContact O-CA 3.23Å; S191-S203 WeakPolarHBondContact O-CB 3.49Å; S191-S203 PolarHBondContact O-OG 3.38Å
192	G	94.4	Very high	97	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-90.3	-6.5	171.8	0	0	0	0	0	113.5	S189 G190 T207	S189-G192 WeakPolarHBondContact O-CA 3.33Å; S189-G192 PolarHBondContact O-N 3.03Å; G190-G192 PolarHBondContact O-N 3.16Å; G192-T207 PolarHBondContact O-OG1 3.4Å
193	M	94.4	Very high	97	Very high	32 Å²	32	19.9 Å²	19.9	16%	0.158	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-29.3	176.8	-65.1	179.3	68.9	0	0	112.6	G190 L231 N270	G190-M193 WeakPolarHBondContact O-CB 3.34Å; G190-M193 PolarHBondContact O-N 3.32Å; M193-L231 HydrophobicContact CG-CB 4.35Å; M193-L231 HydrophobicContact CG-CD2 3.39Å; M193-L231 HydrophobicContact CG-CG 4.44Å; M193-L231 HydrophobicContact SD-CB 4.31Å; M193-L231 HydrophobicContact SD-CD2 4.31Å; M193-N270 PolarHBondContact SD-ND2 3.19Å
194	F	93.3	Very high	97	Very high	47 Å²	47	22.6 Å²	22.6	21%	0.206	14%	0.138	C	C	.	.	S	Bend	trans	-149	157.1	-174	-52.4	-78	0	0	0	110.2	S191 V196 S203 I282 S283 Y290	S191-F194 VanDerWaalsContact O-O 3.06Å; F194-V196 WeakPolarHBondContact O-CG2 2.98Å; F194-V196 PolarHBondContact O-N 2.91Å; F194-S203 PolarHBondContact O-OG 3.45Å; F194-I282 HydrophobicContact CD2-CG2 3.72Å; F194-I282 HydrophobicContact CE2-CB 4.28Å; F194-I282 HydrophobicContact CE2-CG2 3.49Å; F194-I282 VanDerWaalsContact CE2-CG2 3.49Å; F194-I282 HydrophobicContact CG-CG2 4.45Å; F194-I282 HydrophobicContact CZ-CG2 4.06Å; F194-S283 WeakPolarHBondContact CZ-OG 3.35Å; F194-Y290 HydrophobicContact CB-CD1 4.23Å; F194-Y290 HydrophobicContact CB-CE1 3.37Å; F194-Y290 HydrophobicContact CB-CE2 4.45Å; F194-Y290 WeakPolarHBondContact CB-OH 3.27Å; F194-Y290 HydrophobicContact CG-CE1 4.16Å
195	P	95.4	Very high	97	Very high	88 Å²	88	22.7 Å²	22.7	57%	0.571	14%	0.139	S	C	*	.			trans	-63.1	131	176.8	-20.7	32.1	0	0	0	112.4	P197 Y290 L291	P195-P197 WeakPolarHBondContact O-CD 3.28Å; P195-Y290 VanDerWaalsContact O-CE1 3.3Å; P195-Y290 WeakPolarHBondContact O-CE1 3.07Å; P195-L291 HydrophobicContact CB-CD2 4.2Å
196	V	97	Very high	97	Very high	12 Å²	12	23.1 Å²	23.1	7%	0.073	14%	0.141	C	C	.	.			trans	-116.2	94.7	178.9	-173.6	0	0	0	0	110.6	F194 L199 S203 V294 N298	F194-V196 WeakPolarHBondContact O-CG2 2.98Å; F194-V196 PolarHBondContact O-N 2.91Å; V196-L199 HydrophobicContact CB-CB 4.42Å; V196-L199 HydrophobicContact CG1-CB 4Å; V196-L199 HydrophobicContact CG1-CD1 3.91Å; V196-L199 HydrophobicContact CG1-CG 4.31Å; V196-L199 CarbonylContact O-C 3.55Å; V196-L199 PolarHBondContact O-N 2.91Å; V196-L199 VanDerWaalsContact O-N 3.13Å; V196-S203 PolarHBondContact N-OG 3.47Å; V196-V294 HydrophobicContact CB-CG1 4.41Å; V196-V294 HydrophobicContact CG1-CG1 3.69Å; V196-N298 WeakPolarHBondContact CG1-ND2 3.49Å
197	P	97.4	Very high	96.9	Very high	34 Å²	34	25 Å²	25	22%	0.221	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	145.4	176.8	-26.5	34.2	0	0	0	112.3	P195 L199 L291 M295 N298	P195-P197 WeakPolarHBondContact O-CD 3.28Å; P197-L199 PolarHBondContact O-N 3.27Å; P197-L291 HydrophobicContact CG-CD2 3.95Å; P197-M295 HydrophobicContact CB-CB 4.48Å; P197-M295 HydrophobicContact CB-SD 3.89Å; P197-N298 PolarHBondContact O-ND2 2.86Å
198	L	97.9	Very high	97	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	0.5	-174.2	-48.4	178.6	0	0	0	115.6	P141 E142 Y143 M295 N298 K299	P141-L198 CarbonylContact C-O 3.56Å; P141-L198 VanDerWaalsContact CA-O 3.31Å; P141-L198 WeakPolarHBondContact CA-O 3.41Å; P141-L198 HydrophobicContact CB-CB 3.7Å; P141-L198 HydrophobicContact CB-CD1 4.45Å; E142-L198 PolarHBondContact N-O 3.33Å; E142-L198 CarbonylContact O-C 3.5Å; E142-L198 VanDerWaalsContact O-CA 3.26Å; E142-L198 WeakPolarHBondContact O-CA 3.44Å; Y143-L198 HydrophobicContact CD1-CD2 3.57Å; Y143-L198 HydrophobicContact CD2-CD2 3.94Å; Y143-L198 HydrophobicContact CE1-CD2 3.79Å; Y143-L198 HydrophobicContact CE2-CD2 4.15Å; Y143-L198 HydrophobicContact CG-CD2 3.66Å; L198-M295 HydrophobicContact CD1-SD 3.92Å; L198-M295 HydrophobicContact CD2-CE 4.32Å; L198-M295 HydrophobicContact CD2-SD 4.36Å; L198-M295 HydrophobicContact CG-CE 4.47Å; L198-M295 HydrophobicContact CG-SD 3.88Å; L198-N298 HydrophobicContact CB-CB 4.08Å; L198-N298 HydrophobicContact CD1-CB 3.76Å; L198-N298 HydrophobicContact CG-CB 4.32Å; L198-K299 HydrophobicContact CD1-CG 3.94Å
199	L	97.5	Very high	97	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.131	17%	0.166	C	C	.	.			trans	-130.2	36.8	170.6	-64	176.5	0	0	0	110.5	Y138 P141 V196 P197 I201 Y202 S203	Y138-L199 HydrophobicContact CD2-CB 4.32Å; Y138-L199 HydrophobicContact CD2-CD2 3.51Å; Y138-L199 HydrophobicContact CE2-CB 4.38Å; Y138-L199 HydrophobicContact CE2-CD2 4.32Å; Y138-L199 HydrophobicContact CG-CD2 3.95Å; P141-L199 HydrophobicContact CB-CD2 4.19Å; P141-L199 HydrophobicContact CB-CG 4.36Å; P141-L199 HydrophobicContact CG-CD2 4.25Å; V196-L199 HydrophobicContact CB-CB 4.42Å; V196-L199 HydrophobicContact CG1-CB 4Å; V196-L199 HydrophobicContact CG1-CD1 3.91Å; V196-L199 HydrophobicContact CG1-CG 4.31Å; V196-L199 CarbonylContact O-C 3.55Å; V196-L199 PolarHBondContact O-N 2.91Å; V196-L199 VanDerWaalsContact O-N 3.13Å; P197-L199 PolarHBondContact O-N 3.27Å; L199-I201 PolarHBondContact O-N 3.46Å; L199-Y202 PolarHBondContact O-N 3.35Å; L199-S203 WeakPolarHBondContact O-CB 3.08Å; L199-S203 PolarHBondContact O-N 2.77Å
200	T	97.4	Very high	97.1	Very high	69 Å²	69	27.9 Å²	27.9	42%	0.423	16%	0.163	S	C	.	.	H	α-helix	trans	-53.2	-55	-165.1	-52.2	0	0	0	0	113.7	Y202 A204	T200-Y202 VanDerWaalsContact C-N 3.34Å; T200-Y202 PolarHBondContact O-N 2.94Å; T200-A204 WeakPolarHBondContact O-CB 3.4Å; T200-A204 PolarHBondContact O-N 2.91Å
201	I	97.8	Very high	97.2	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-41.6	-176.9	-56.2	164.1	0	0	0	109.7	Y138 F144 L150 V153 I154 M157 L199 A204 T205	Y138-I201 HydrophobicContact CE2-CB 4.42Å; Y138-I201 VanDerWaalsContact OH-CB 3.28Å; Y138-I201 WeakPolarHBondContact OH-CB 3.36Å; Y138-I201 WeakPolarHBondContact OH-CD1 3.19Å; Y138-I201 WeakPolarHBondContact OH-CG1 3.48Å; Y138-I201 PolarHBondContact OH-N 3.37Å; Y138-I201 VanDerWaalsContact OH-N 3.09Å; F144-I201 HydrophobicContact CD2-CG1 4.46Å; F144-I201 HydrophobicContact CE2-CD1 4.07Å; F144-I201 HydrophobicContact CE2-CG1 4.09Å; L150-I201 HydrophobicContact CD1-CD1 4.06Å; V153-I201 HydrophobicContact CG1-CD1 4.34Å; I154-I201 HydrophobicContact CB-CD1 4.42Å; I154-I201 HydrophobicContact CG1-CD1 3.46Å; I154-I201 VanDerWaalsContact CG1-CD1 3.46Å; I154-I201 HydrophobicContact CG1-CG1 4.46Å; M157-I201 HydrophobicContact CB-CG2 4.02Å; M157-I201 HydrophobicContact CG-CG2 4.05Å; M157-I201 HydrophobicContact SD-CB 3.78Å; M157-I201 HydrophobicContact SD-CG2 3.59Å; M157-I201 VanDerWaalsContact SD-CG2 3.59Å; L199-I201 PolarHBondContact O-N 3.46Å; I201-A204 PolarHBondContact O-N 3.11Å; I201-T205 HydrophobicContact CG2-CG2 4.14Å; I201-T205 WeakPolarHBondContact O-CG2 3.25Å; I201-T205 PolarHBondContact O-N 2.93Å; I201-T205 PolarHBondContact O-OG1 2.82Å
202	Y	97.9	Very high	97.4	Very high	26 Å²	26	34.5 Å²	34.5	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-52	-179.4	178.6	-101.5	0	0	0	111.5	M136 M157 L199 T200 A204 T205 K206	M136-Y202 VanDerWaalsContact O-CD2 3.23Å; M136-Y202 WeakPolarHBondContact O-CD2 3.37Å; M136-Y202 WeakPolarHBondContact O-CE2 3.45Å; M157-Y202 WeakPolarHBondContact SD-CA 2.96Å; M157-Y202 HydrophobicContact SD-CD2 4.4Å; M157-Y202 PolarHBondContact SD-N 3.47Å; L199-Y202 PolarHBondContact O-N 3.35Å; T200-Y202 VanDerWaalsContact C-N 3.34Å; T200-Y202 PolarHBondContact O-N 2.94Å; Y202-A204 VanDerWaalsContact C-N 3.32Å; Y202-A204 PolarHBondContact O-N 3.28Å; Y202-T205 PolarHBondContact O-N 3.48Å; Y202-T205 PolarHBondContact O-OG1 3.24Å; Y202-K206 HydrophobicContact CD1-CG 4.46Å; Y202-K206 HydrophobicContact CD2-CG 4.41Å; Y202-K206 HydrophobicContact CE1-CG 4.04Å; Y202-K206 HydrophobicContact CE2-CD 4.42Å; Y202-K206 HydrophobicContact CE2-CG 4Å; Y202-K206 WeakPolarHBondContact O-CG 3.22Å; Y202-K206 PolarHBondContact O-N 3.47Å
203	S	97.9	Very high	97.6	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-43.5	177.5	175.3	0	0	0	0	111.7	S191 F194 V196 L199 K206 T207	S191-S203 WeakPolarHBondContact O-CA 3.23Å; S191-S203 WeakPolarHBondContact O-CB 3.49Å; S191-S203 PolarHBondContact O-OG 3.38Å; F194-S203 PolarHBondContact O-OG 3.45Å; V196-S203 PolarHBondContact N-OG 3.47Å; L199-S203 WeakPolarHBondContact O-CB 3.08Å; L199-S203 PolarHBondContact O-N 2.77Å; S203-K206 PolarHBondContact O-N 2.97Å; S203-T207 PolarHBondContact O-N 3.09Å; S203-T207 PolarHBondContact O-OG1 3.16Å
204	A	98.4	Very high	97.8	Very high	58 Å²	58	35.8 Å²	35.8	48%	0.479	19%	0.193	S	C	.	.	H	α-helix	trans	-62.1	-46.4	175.7	0	0	0	0	0	112.3	T200 I201 Y202 K206 T207 F208	T200-A204 WeakPolarHBondContact O-CB 3.4Å; T200-A204 PolarHBondContact O-N 2.91Å; I201-A204 PolarHBondContact O-N 3.11Å; Y202-A204 VanDerWaalsContact C-N 3.32Å; Y202-A204 PolarHBondContact O-N 3.28Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 2.94Å; A204-T207 WeakPolarHBondContact O-CB 3.36Å; A204-T207 PolarHBondContact O-N 3.47Å; A204-F208 PolarHBondContact O-N 3.43Å
205	T	98.5	Very high	98.1	Very high	2 Å²	2	37 Å²	37	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-36.2	178.6	63.9	0	0	0	0	112.3	M157 N161 I162 I201 Y202 F208 V209	M157-T205 HydrophobicContact CG-CG2 4.25Å; N161-T205 HydrophobicContact CB-CG2 4.23Å; N161-T205 PolarHBondContact ND2-OG1 2.88Å; I162-T205 HydrophobicContact CD1-CG2 3.77Å; I162-T205 HydrophobicContact CG1-CG2 4.02Å; I201-T205 HydrophobicContact CG2-CG2 4.14Å; I201-T205 WeakPolarHBondContact O-CG2 3.25Å; I201-T205 PolarHBondContact O-N 2.93Å; I201-T205 PolarHBondContact O-OG1 2.82Å; Y202-T205 PolarHBondContact O-N 3.48Å; Y202-T205 PolarHBondContact O-OG1 3.24Å; T205-F208 WeakPolarHBondContact O-CB 3.23Å; T205-F208 PolarHBondContact O-N 3.39Å; T205-V209 WeakPolarHBondContact O-CG2 3.41Å; T205-V209 PolarHBondContact O-N 3.34Å; T205-V209 VanDerWaalsContact O-N 3.1Å
206	K	98.3	Very high	98.2	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-73.3	-32.5	176.4	-66	-53.5	-165.9	175.9	0	112.3	I187 S188 Y202 S203 A204 V209 D210	I187-K206 PolarHBondContact O-NZ 2.86Å; S188-K206 PolarHBondContact OG-O 3.23Å; Y202-K206 HydrophobicContact CD1-CG 4.46Å; Y202-K206 HydrophobicContact CD2-CG 4.41Å; Y202-K206 HydrophobicContact CE1-CG 4.04Å; Y202-K206 HydrophobicContact CE2-CD 4.42Å; Y202-K206 HydrophobicContact CE2-CG 4Å; Y202-K206 WeakPolarHBondContact O-CG 3.22Å; Y202-K206 PolarHBondContact O-N 3.47Å; S203-K206 PolarHBondContact O-N 2.97Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 2.94Å; K206-V209 PolarHBondContact O-N 3.46Å; K206-D210 PolarHBondContact O-N 3.1Å
207	T	98.6	Very high	98.3	Very high	40 Å²	40	33.3 Å²	33.3	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-43.9	169.3	-52.2	0	0	0	0	111.1	G192 S203 A204 V209 D210 F211	G192-T207 PolarHBondContact O-OG1 3.4Å; S203-T207 PolarHBondContact O-N 3.09Å; S203-T207 PolarHBondContact O-OG1 3.16Å; A204-T207 WeakPolarHBondContact O-CB 3.36Å; A204-T207 PolarHBondContact O-N 3.47Å; T207-V209 VanDerWaalsContact C-N 3.35Å; T207-V209 PolarHBondContact O-N 3.32Å; T207-D210 WeakPolarHBondContact O-CB 3.32Å; T207-D210 PolarHBondContact O-N 3.31Å; T207-D210 VanDerWaalsContact O-N 3.15Å; T207-F211 HydrophobicContact CG2-CD2 4.43Å; T207-F211 HydrophobicContact CG2-CE2 4.25Å; T207-F211 PolarHBondContact O-N 3.45Å
208	F	98.8	Very high	98.4	Very high	79 Å²	79	37.5 Å²	37.5	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-54.9	-50.2	173.3	174.6	-81.1	0	0	0	111.3	I162 A204 T205 D210 F211 F212	I162-F208 HydrophobicContact CB-CD1 4.15Å; I162-F208 HydrophobicContact CB-CE1 4.33Å; I162-F208 HydrophobicContact CD1-CB 4.07Å; I162-F208 HydrophobicContact CD1-CD1 4.33Å; I162-F208 HydrophobicContact CD1-CD2 4.43Å; I162-F208 HydrophobicContact CD1-CG 4.01Å; I162-F208 HydrophobicContact CG1-CB 4.18Å; I162-F208 HydrophobicContact CG1-CD1 3.78Å; I162-F208 HydrophobicContact CG1-CE1 4.44Å; I162-F208 HydrophobicContact CG1-CG 3.97Å; I162-F208 HydrophobicContact CG2-CD1 3.75Å; I162-F208 HydrophobicContact CG2-CD2 4.38Å; I162-F208 HydrophobicContact CG2-CE1 3.53Å; I162-F208 HydrophobicContact CG2-CE2 4.15Å; I162-F208 HydrophobicContact CG2-CG 4.21Å; I162-F208 HydrophobicContact CG2-CZ 3.73Å; A204-F208 PolarHBondContact O-N 3.43Å; T205-F208 WeakPolarHBondContact O-CB 3.23Å; T205-F208 PolarHBondContact O-N 3.39Å; F208-D210 VanDerWaalsContact C-N 3.25Å; F208-D210 PolarHBondContact O-N 3.32Å; F208-F211 PolarHBondContact O-N 2.98Å; F208-F212 HydrophobicContact CD1-CB 4.3Å; F208-F212 HydrophobicContact CE1-CB 3.92Å; F208-F212 HydrophobicContact CE1-CD2 4.25Å; F208-F212 HydrophobicContact CE1-CG 4.12Å; F208-F212 HydrophobicContact CZ-CB 4.38Å; F208-F212 HydrophobicContact CZ-CD2 4.22Å; F208-F212 WeakPolarHBondContact O-CB 3.46Å; F208-F212 PolarHBondContact O-N 3.41Å
209	V	98.8	Very high	98.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-38	179.6	175.6	0	0	0	0	111.3	N161 V165 N186 T205 K206 T207 S213	N161-V209 VanDerWaalsContact O-CG2 3.27Å; N161-V209 WeakPolarHBondContact O-CG2 3.41Å; V165-V209 HydrophobicContact CG2-CG2 4.03Å; N186-V209 HydrophobicContact CB-CG1 3.85Å; T205-V209 WeakPolarHBondContact O-CG2 3.41Å; T205-V209 PolarHBondContact O-N 3.34Å; T205-V209 VanDerWaalsContact O-N 3.1Å; K206-V209 PolarHBondContact O-N 3.46Å; T207-V209 VanDerWaalsContact C-N 3.35Å; T207-V209 PolarHBondContact O-N 3.32Å; V209-S213 WeakPolarHBondContact O-CB 3.45Å; V209-S213 PolarHBondContact O-N 3.49Å; V209-S213 VanDerWaalsContact O-N 3.1Å; V209-S213 PolarHBondContact O-OG 3.29Å
210	D	98.7	Very high	98.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-51.3	177.3	-172.5	29.6	0	0	0	112	K206 T207 F208 S213 Q214 S229 L231 R268	K206-D210 PolarHBondContact O-N 3.1Å; T207-D210 WeakPolarHBondContact O-CB 3.32Å; T207-D210 PolarHBondContact O-N 3.31Å; T207-D210 VanDerWaalsContact O-N 3.15Å; F208-D210 VanDerWaalsContact C-N 3.25Å; F208-D210 PolarHBondContact O-N 3.32Å; D210-S213 PolarHBondContact O-N 2.82Å; D210-Q214 WeakPolarHBondContact O-CG 3.44Å; D210-Q214 PolarHBondContact O-N 3.43Å; D210-Q214 VanDerWaalsContact O-N 3.13Å; D210-Q214 PolarHBondContact O-NE2 2.74Å; D210-Q214 PolarHBondContact OD1-NE2 2.87Å; D210-Q214 PolarHBondContact OD2-NE2 3.37Å; D210-S229 WeakPolarHBondContact CA-OG 3.16Å; D210-S229 VanDerWaalsContact OD1-CB 3.25Å; D210-S229 WeakPolarHBondContact OD1-CB 3.26Å; D210-S229 PolarHBondContact OD1-OG 3.28Å; D210-L231 HydrophobicContact CB-CD2 4.2Å; D210-R268 IonicContact OD1-NE 3.89Å; D210-R268 PolarHBondContact OD1-NE 2.93Å; D210-R268 IonicContact OD2-CZ 3.52Å; D210-R268 VanDerWaalsContact OD2-CZ 3.27Å; D210-R268 IonicContact OD2-NE 3.97Å; D210-R268 PolarHBondContact OD2-NE 3.27Å; D210-R268 IonicContact OD2-NH2 2.71Å; D210-R268 PolarHBondContact OD2-NH2 2.68Å
211	F	98.8	Very high	98.4	Very high	123 Å²	123	47.8 Å²	47.8	54%	0.539	23%	0.232	S	C	.	.	H	α-helix	trans	-68.2	-41.8	179.1	-73.4	-9.1	0	0	0	112.9	T207 F208 S213 Q214 C215	T207-F211 HydrophobicContact CG2-CD2 4.43Å; T207-F211 HydrophobicContact CG2-CE2 4.25Å; T207-F211 PolarHBondContact O-N 3.45Å; F208-F211 PolarHBondContact O-N 2.98Å; F211-S213 PolarHBondContact O-N 3.28Å; F211-Q214 PolarHBondContact O-N 2.94Å; F211-Q214 VanDerWaalsContact O-N 3.12Å; F211-C215 PolarHBondContact O-N 3.25Å; F211-C215 PolarHBondContact O-SG 3.24Å; F211-C215 VanDerWaalsContact O-SG 3.33Å
212	F	98.8	Very high	98.4	Very high	43 Å²	43	52.4 Å²	52.4	19%	0.189	27%	0.266	C	S	.	.	H	α-helix	trans	-53.4	-43.9	174.3	177.1	-102.3	0	0	0	111.6	V165 C166 T169 F208 L216	V165-F212 HydrophobicContact CG1-CD1 3.79Å; V165-F212 HydrophobicContact CG1-CE1 3.71Å; C166-F212 HydrophobicContact CB-CZ 4.46Å; T169-F212 HydrophobicContact CG2-CE1 4.5Å; T169-F212 HydrophobicContact CG2-CZ 4.32Å; F208-F212 HydrophobicContact CD1-CB 4.3Å; F208-F212 HydrophobicContact CE1-CB 3.92Å; F208-F212 HydrophobicContact CE1-CD2 4.25Å; F208-F212 HydrophobicContact CE1-CG 4.12Å; F208-F212 HydrophobicContact CZ-CB 4.38Å; F208-F212 HydrophobicContact CZ-CD2 4.22Å; F208-F212 WeakPolarHBondContact O-CB 3.46Å; F208-F212 PolarHBondContact O-N 3.41Å; F212-L216 HydrophobicContact CD1-CD1 3.83Å; F212-L216 HydrophobicContact CD2-CD1 4.45Å; F212-L216 HydrophobicContact CE1-CD1 3.24Å; F212-L216 HydrophobicContact CE1-CG 4.32Å; F212-L216 HydrophobicContact CE2-CD1 3.95Å; F212-L216 HydrophobicContact CE2-CG 4.33Å; F212-L216 HydrophobicContact CG-CD1 4.42Å; F212-L216 HydrophobicContact CZ-CD1 3.33Å; F212-L216 HydrophobicContact CZ-CG 4.18Å; F212-L216 WeakPolarHBondContact O-CB 3.44Å; F212-L216 WeakPolarHBondContact O-CG 3.45Å; F212-L216 PolarHBondContact O-N 3.13Å
213	S	98.8	Very high	98.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-40.1	179	-55.7	0	0	0	0	112.8	N186 V209 D210 F211 H217 V227	N186-S213 WeakPolarHBondContact CB-OG 3.34Å; N186-S213 PolarHBondContact ND2-OG 3.06Å; V209-S213 WeakPolarHBondContact O-CB 3.45Å; V209-S213 PolarHBondContact O-N 3.49Å; V209-S213 VanDerWaalsContact O-N 3.1Å; V209-S213 PolarHBondContact O-OG 3.29Å; D210-S213 PolarHBondContact O-N 2.82Å; F211-S213 PolarHBondContact O-N 3.28Å; S213-H217 WeakPolarHBondContact O-CB 3.35Å; S213-H217 PolarHBondContact O-N 3.23Å; S213-V227 WeakPolarHBondContact O-CG1 3.49Å
214	Q	98.6	Very high	98.3	Very high	63 Å²	63	57.2 Å²	57.2	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-46.6	178.5	-73	171.9	67.7	0	0	111.4	D210 F211 H217 E218	D210-Q214 WeakPolarHBondContact O-CG 3.44Å; D210-Q214 PolarHBondContact O-N 3.43Å; D210-Q214 VanDerWaalsContact O-N 3.13Å; D210-Q214 PolarHBondContact O-NE2 2.74Å; D210-Q214 PolarHBondContact OD1-NE2 2.87Å; D210-Q214 PolarHBondContact OD2-NE2 3.37Å; F211-Q214 PolarHBondContact O-N 2.94Å; F211-Q214 VanDerWaalsContact O-N 3.12Å; Q214-H217 PolarHBondContact O-N 2.84Å; Q214-E218 PolarHBondContact O-N 2.95Å
215	C	98.8	Very high	98.3	Very high	71 Å²	71	54.6 Å²	54.6	48%	0.48	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-50.5	176	-63.9	0	0	0	0	111.1	F211 H217 E218 E219	F211-C215 PolarHBondContact O-N 3.25Å; F211-C215 PolarHBondContact O-SG 3.24Å; F211-C215 VanDerWaalsContact O-SG 3.33Å; C215-H217 VanDerWaalsContact C-N 3.27Å; C215-H217 PolarHBondContact O-N 3.19Å; C215-E218 PolarHBondContact O-N 3.37Å; C215-E218 VanDerWaalsContact O-N 3.16Å; C215-E219 VanDerWaalsContact O-CG 3.32Å; C215-E219 WeakPolarHBondContact O-CG 3.46Å; C215-E219 PolarHBondContact O-N 3.35Å
216	L	98.5	Very high	98.3	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-35.3	178.3	-80	-179.3	0	0	0	113.3	T169 L173 F212 Y220 V227	T169-L216 HydrophobicContact CG2-CD1 3.73Å; L173-L216 HydrophobicContact CD2-CD2 4.45Å; F212-L216 HydrophobicContact CD1-CD1 3.83Å; F212-L216 HydrophobicContact CD2-CD1 4.45Å; F212-L216 HydrophobicContact CE1-CD1 3.24Å; F212-L216 HydrophobicContact CE1-CG 4.32Å; F212-L216 HydrophobicContact CE2-CD1 3.95Å; F212-L216 HydrophobicContact CE2-CG 4.33Å; F212-L216 HydrophobicContact CG-CD1 4.42Å; F212-L216 HydrophobicContact CZ-CD1 3.33Å; F212-L216 HydrophobicContact CZ-CG 4.18Å; F212-L216 WeakPolarHBondContact O-CB 3.44Å; F212-L216 WeakPolarHBondContact O-CG 3.45Å; F212-L216 PolarHBondContact O-N 3.13Å; L216-Y220 HydrophobicContact CD2-CD2 3.96Å; L216-Y220 HydrophobicContact CD2-CE2 3.69Å; L216-Y220 WeakPolarHBondContact O-CD2 3.21Å; L216-Y220 PolarHBondContact O-N 2.97Å; L216-Y220 VanDerWaalsContact O-N 3.12Å; L216-V227 HydrophobicContact CB-CB 4.48Å; L216-V227 HydrophobicContact CB-CG1 4.19Å; L216-V227 HydrophobicContact CB-CG2 4.18Å
217	H	98.6	Very high	98.3	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-50.4	175.9	-173.5	46	0	0	0	110.6	S213 Q214 C215 E219 Y220 R221 F226 V227 S267	S213-H217 WeakPolarHBondContact O-CB 3.35Å; S213-H217 PolarHBondContact O-N 3.23Å; Q214-H217 PolarHBondContact O-N 2.84Å; C215-H217 VanDerWaalsContact C-N 3.27Å; C215-H217 PolarHBondContact O-N 3.19Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E219 PolarHBondContact O-N 3.37Å; H217-Y220 PolarHBondContact O-N 2.91Å; H217-R221 WeakPolarHBondContact O-CA 3.5Å; H217-R221 WeakPolarHBondContact O-CB 3.45Å; H217-R221 PolarHBondContact O-N 3.08Å; H217-F226 AromaticContact CE1-CD2 3.57Å; H217-F226 AromaticContact CE1-CE2 3.88Å; H217-V227 HydrophobicContact CB-CB 3.94Å; H217-V227 PolarHBondContact ND1-N 2.94Å; H217-S267 WeakPolarHBondContact CD2-CB 3.5Å
218	E	98.4	Very high	98.3	Very high	123 Å²	123	53.8 Å²	53.8	58%	0.575	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-37.5	-179.5	-64.4	-54.9	140.6	0	0	112.3	Q214 C215 Y220	Q214-E218 PolarHBondContact O-N 2.95Å; C215-E218 PolarHBondContact O-N 3.37Å; C215-E218 VanDerWaalsContact O-N 3.16Å; E218-Y220 PolarHBondContact O-N 2.91Å
219	E	98.6	Very high	98.3	Very high	108 Å²	108	50 Å²	50	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-35.8	178.3	-73.5	169.9	-155.3	0	0	113.7	C215 H217	C215-E219 VanDerWaalsContact O-CG 3.32Å; C215-E219 WeakPolarHBondContact O-CG 3.46Å; C215-E219 PolarHBondContact O-N 3.35Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E219 PolarHBondContact O-N 3.37Å
220	Y	98.4	Very high	98.3	Very high	56 Å²	56	50 Å²	50	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-116.9	-2.1	-170.1	-66.6	-92.2	0	0	0	114.7	L173 V177 L216 H217 E218 S222 K223 I225	L173-Y220 HydrophobicContact CD1-CD1 4.2Å; L173-Y220 HydrophobicContact CD1-CG 4.37Å; L173-Y220 HydrophobicContact CD2-CD1 4.27Å; L173-Y220 HydrophobicContact CD2-CD2 4.17Å; L173-Y220 HydrophobicContact CD2-CE1 3.9Å; L173-Y220 HydrophobicContact CD2-CE2 3.81Å; L173-Y220 HydrophobicContact CD2-CG 4.41Å; L173-Y220 HydrophobicContact CG-CD1 4.46Å; L173-Y220 HydrophobicContact CG-CE1 4.29Å; V177-Y220 HydrophobicContact CG2-CD1 3.62Å; V177-Y220 HydrophobicContact CG2-CE1 3.89Å; L216-Y220 HydrophobicContact CD2-CD2 3.96Å; L216-Y220 HydrophobicContact CD2-CE2 3.69Å; L216-Y220 WeakPolarHBondContact O-CD2 3.21Å; L216-Y220 PolarHBondContact O-N 2.97Å; L216-Y220 VanDerWaalsContact O-N 3.12Å; H217-Y220 PolarHBondContact O-N 2.91Å; E218-Y220 PolarHBondContact O-N 2.91Å; Y220-S222 VanDerWaalsContact C-N 3.32Å; Y220-S222 PolarHBondContact O-N 3.41Å; Y220-K223 HydrophobicContact CD1-CD 3.78Å; Y220-K223 HydrophobicContact CE1-CD 4.28Å; Y220-K223 CarbonylContact O-C 3.58Å; Y220-K223 WeakPolarHBondContact O-CA 3.25Å; Y220-K223 WeakPolarHBondContact O-CB 3.44Å; Y220-K223 PolarHBondContact O-N 2.95Å; Y220-I225 PolarHBondContact O-N 2.55Å
221	R	97	Very high	98.3	Very high	153 Å²	153	50 Å²	50	58%	0.577	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-58.4	-41.7	178.9	178	178.6	-176.4	-173.9	0.8	112.7	H217 K223 G224	H217-R221 WeakPolarHBondContact O-CA 3.5Å; H217-R221 WeakPolarHBondContact O-CB 3.45Å; H217-R221 PolarHBondContact O-N 3.08Å; R221-K223 PolarHBondContact O-N 3.16Å; R221-G224 PolarHBondContact O-N 3.48Å; R221-G224 VanDerWaalsContact O-N 3.1Å
222	S	97.3	Very high	98.2	Very high	114 Å²	114	44.5 Å²	44.5	80%	0.797	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.8	-17.4	176.8	59.9	0	0	0	0	113.2	Y220 G224	Y220-S222 VanDerWaalsContact C-N 3.32Å; Y220-S222 PolarHBondContact O-N 3.41Å; S222-G224 VanDerWaalsContact C-N 3.32Å
223	K	98	Very high	98.1	Very high	93 Å²	93	44.2 Å²	44.2	40%	0.404	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-93.6	14.4	175	-56.3	178.4	-179.5	175	0	112.5	V177 S180 Y220 R221 I225	V177-K223 HydrophobicContact CG1-CD 4.06Å; S180-K223 CarbonylContact C-O 3.56Å; S180-K223 VanDerWaalsContact CA-O 3.31Å; S180-K223 WeakPolarHBondContact CA-O 3.26Å; Y220-K223 HydrophobicContact CD1-CD 3.78Å; Y220-K223 HydrophobicContact CE1-CD 4.28Å; Y220-K223 CarbonylContact O-C 3.58Å; Y220-K223 WeakPolarHBondContact O-CA 3.25Å; Y220-K223 WeakPolarHBondContact O-CB 3.44Å; Y220-K223 PolarHBondContact O-N 2.95Å; R221-K223 PolarHBondContact O-N 3.16Å; K223-I225 VanDerWaalsContact C-N 3.3Å; K223-I225 PolarHBondContact O-N 3.09Å
224	G	96.5	Very high	97.9	Very high	41 Å²	41	49 Å²	49	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	12.9	178.3	0	0	0	0	0	115	R221 S222	R221-G224 PolarHBondContact O-N 3.48Å; R221-G224 VanDerWaalsContact O-N 3.1Å; S222-G224 VanDerWaalsContact C-N 3.32Å
225	I	98.3	Very high	97.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.5	179.9	-47.3	-48.4	0	0	0	110.3	L173 M176 V177 Y220 K223 V227	L173-I225 HydrophobicContact CD1-CG1 4.27Å; L173-I225 HydrophobicContact CD1-CG2 3.95Å; M176-I225 HydrophobicContact CB-CD1 3.72Å; M176-I225 WeakPolarHBondContact O-CD1 3.37Å; V177-I225 HydrophobicContact CG2-CD1 4.42Å; V177-I225 HydrophobicContact CG2-CG1 3.98Å; Y220-I225 PolarHBondContact O-N 2.55Å; K223-I225 VanDerWaalsContact C-N 3.3Å; K223-I225 PolarHBondContact O-N 3.09Å; I225-V227 HydrophobicContact CG2-CG2 4.13Å
226	F	98.1	Very high	97.5	Very high	33 Å²	33	43.5 Å²	43.5	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.3	172.9	-172.2	-101.3	0	0	0	110.3	G182 A183 I184 H217 Q228 V263 Q266	G182-F226 PolarHBondContact O-N 3.43Å; A183-F226 CarbonylContact C-O 3.59Å; A183-F226 WeakPolarHBondContact CA-O 3.25Å; A183-F226 HydrophobicContact CB-CB 4.48Å; I184-F226 PolarHBondContact N-O 3.31Å; H217-F226 AromaticContact CE1-CD2 3.57Å; H217-F226 AromaticContact CE1-CE2 3.88Å; F226-Q228 HydrophobicContact CD1-CB 4.4Å; F226-Q228 HydrophobicContact CE1-CB 3.73Å; F226-Q228 HydrophobicContact CE1-CG 4.31Å; F226-Q228 HydrophobicContact CZ-CB 4.46Å; F226-V263 HydrophobicContact CD1-CG1 3.99Å; F226-V263 HydrophobicContact CE1-CG1 4.06Å; F226-Q266 WeakPolarHBondContact CZ-O 3.44Å
227	V	98.7	Very high	97.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.3	175.9	-174.5	0	0	0	0	107.8	I184 S213 L216 H217 I225	I184-V227 HydrophobicContact CB-CG1 4.21Å; I184-V227 HydrophobicContact CB-CG2 4.24Å; I184-V227 HydrophobicContact CD1-CG2 4.44Å; I184-V227 HydrophobicContact CG2-CG1 4.39Å; I184-V227 CarbonylContact O-C 3.51Å; I184-V227 WeakPolarHBondContact O-CA 3.29Å; S213-V227 WeakPolarHBondContact O-CG1 3.49Å; L216-V227 HydrophobicContact CB-CB 4.48Å; L216-V227 HydrophobicContact CB-CG1 4.19Å; L216-V227 HydrophobicContact CB-CG2 4.18Å; H217-V227 HydrophobicContact CB-CB 3.94Å; H217-V227 PolarHBondContact ND1-N 2.94Å; I225-V227 HydrophobicContact CG2-CG2 4.13Å
228	Q	98.4	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.8	-176.8	-169.5	175.8	67.7	0	0	111.3	I184 L185 N186 F226 V230 T262 Q266 S267 T269	I184-Q228 PolarHBondContact O-N 3.18Å; L185-Q228 HydrophobicContact CD2-CB 3.76Å; N186-Q228 PolarHBondContact N-O 3.34Å; F226-Q228 HydrophobicContact CD1-CB 4.4Å; F226-Q228 HydrophobicContact CE1-CB 3.73Å; F226-Q228 HydrophobicContact CE1-CG 4.31Å; F226-Q228 HydrophobicContact CZ-CB 4.46Å; Q228-V230 HydrophobicContact CG-CG2 3.99Å; Q228-T262 PolarHBondContact NE2-O 3.06Å; Q228-T262 PolarHBondContact NE2-OG1 2.96Å; Q228-Q266 WeakPolarHBondContact CG-O 3.11Å; Q228-Q266 PolarHBondContact NE2-O 2.91Å; Q228-S267 CarbonylContact C-O 3.33Å; Q228-S267 VanDerWaalsContact CA-O 3.3Å; Q228-S267 WeakPolarHBondContact CA-O 3.27Å; Q228-T269 HydrophobicContact CG-CG2 4.14Å
229	S	98.6	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.1	162	-174.6	0	0	0	0	109.8	D210 L231 S267 R268 T269	D210-S229 WeakPolarHBondContact CA-OG 3.16Å; D210-S229 VanDerWaalsContact OD1-CB 3.25Å; D210-S229 WeakPolarHBondContact OD1-CB 3.26Å; D210-S229 PolarHBondContact OD1-OG 3.28Å; S229-L231 WeakPolarHBondContact OG-CD1 3.42Å; S229-S267 PolarHBondContact N-O 3.37Å; S229-R268 WeakPolarHBondContact O-CA 3.41Å; S229-T269 PolarHBondContact O-N 2.68Å
230	V	98.4	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.3	175.5	-169.9	0	0	0	0	108.7	N186 I187 S188 Q228 P232 F255 T269	N186-V230 PolarHBondContact O-N 3.38Å; I187-V230 HydrophobicContact CD1-CB 3.84Å; I187-V230 HydrophobicContact CD1-CG1 4.37Å; I187-V230 HydrophobicContact CD1-CG2 3.98Å; S188-V230 CarbonylContact C-O 3.59Å; S188-V230 WeakPolarHBondContact CA-O 3.41Å; S188-V230 PolarHBondContact N-O 2.89Å; Q228-V230 HydrophobicContact CG-CG2 3.99Å; V230-P232 WeakPolarHBondContact O-CD 3.5Å; V230-F255 HydrophobicContact CG1-CE1 4.32Å; V230-F255 HydrophobicContact CG1-CZ 3.9Å; V230-T269 CarbonylContact C-O 3.57Å; V230-T269 WeakPolarHBondContact CA-O 3.32Å; V230-T269 HydrophobicContact CG1-CG2 4.44Å; V230-T269 HydrophobicContact CG2-CG2 4.36Å
231	L	98	Very high	95.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.25	C	S	.	.			trans	-113	69.2	-174.2	-57.7	101.1	0	0	0	111.3	M193 D210 S229 R268 T269 N270	M193-L231 HydrophobicContact CG-CB 4.35Å; M193-L231 HydrophobicContact CG-CD2 3.39Å; M193-L231 HydrophobicContact CG-CG 4.44Å; M193-L231 HydrophobicContact SD-CB 4.31Å; M193-L231 HydrophobicContact SD-CD2 4.31Å; D210-L231 HydrophobicContact CB-CD2 4.2Å; S229-L231 WeakPolarHBondContact OG-CD1 3.42Å; L231-R268 HydrophobicContact CD1-CG 3.55Å; L231-T269 WeakPolarHBondContact CD1-O 3.36Å; L231-T269 PolarHBondContact N-O 2.96Å; L231-N270 WeakPolarHBondContact O-CA 3.33Å; L231-N270 PolarHBondContact O-ND2 3.18Å
232	P	97.3	Very high	94.6	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.058	23%	0.231	C	C	.	.			trans	-62.8	140.1	179.6	26.2	-33.4	0	0	0	111.1	I62 I187 S189 G190 V230 V235 F255	I62-P232 HydrophobicContact CD1-CB 4.45Å; I62-P232 HydrophobicContact CD1-CG 4.29Å; I187-P232 HydrophobicContact CG2-CG 4.12Å; S189-P232 CarbonylContact C-O 3.25Å; G190-P232 PolarHBondContact N-O 3.36Å; V230-P232 WeakPolarHBondContact O-CD 3.5Å; P232-V235 HydrophobicContact CB-CG2 4.16Å; P232-F255 HydrophobicContact CB-CE1 4.26Å; P232-F255 HydrophobicContact CB-CE2 3.78Å; P232-F255 HydrophobicContact CB-CZ 3.57Å; P232-F255 HydrophobicContact CG-CZ 4.38Å
233	Y	95.8	Very high	94	Very high	37 Å²	37	49.6 Å²	49.6	15%	0.145	24%	0.237	C	C	.	.			trans	-76.4	-157.9	155.6	-72.2	-76.7	0	0	0	109	V235 H275 M278 G279 I282	Y233-V235 PolarHBondContact O-N 3.47Å; Y233-H275 HydrophobicContact CD2-CB 3.78Å; Y233-H275 WeakPolarHBondContact CD2-O 3.09Å; Y233-H275 VanDerWaalsContact CE2-O 3.25Å; Y233-H275 WeakPolarHBondContact CE2-O 3.31Å; Y233-H275 PolarHBondContact N-CE1 3.07Å; Y233-H275 PolarHBondContact N-ND1 2.71Å; Y233-M278 HydrophobicContact CD1-CE 4.5Å; Y233-M278 HydrophobicContact CD2-CB 4.18Å; Y233-M278 HydrophobicContact CE2-CB 4.06Å; Y233-M278 HydrophobicContact CG-CE 4.23Å; Y233-G279 VanDerWaalsContact OH-CA 3.25Å; Y233-G279 WeakPolarHBondContact OH-CA 3.26Å; Y233-I282 HydrophobicContact CE1-CD1 3.85Å
234	F	94.9	Very high	93.7	Very high	99 Å²	99	53.3 Å²	53.3	43%	0.434	25%	0.253	S	S	.	.			trans	-60.6	129.4	-178.7	-71.9	-64.6	0	0	0	111.7	A240 I242 K249 H275	F234-A240 HydrophobicContact CD1-CB 4.32Å; F234-I242 HydrophobicContact CB-CD1 3.73Å; F234-I242 HydrophobicContact CD1-CD1 3.66Å; F234-I242 HydrophobicContact CG-CD1 3.85Å; F234-K249 HydrophobicContact CB-CD 4.32Å; F234-K249 HydrophobicContact CB-CG 3.76Å; F234-K249 WeakPolarHBondContact O-CA 3.32Å; F234-H275 PolarHBondContact O-CE1 3.4Å; F234-H275 VanDerWaalsContact O-CE1 3.23Å; F234-H275 PolarHBondContact O-NE2 3.4Å
235	V	95.1	Very high	93.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	25%	0.253	C	S	.	.			trans	-122.9	138.9	170.4	-179.7	0	0	0	0	106.8	I62 P232 Y233 T237 A240 P250 P252 F255	I62-V235 HydrophobicContact CD1-CB 4.12Å; I62-V235 HydrophobicContact CD1-CG1 4.36Å; I62-V235 HydrophobicContact CD1-CG2 3.97Å; I62-V235 HydrophobicContact CG1-CB 4.38Å; I62-V235 HydrophobicContact CG1-CG1 4.08Å; P232-V235 HydrophobicContact CB-CG2 4.16Å; Y233-V235 PolarHBondContact O-N 3.47Å; V235-T237 VanDerWaalsContact C-N 3.3Å; V235-T237 HydrophobicContact CB-CG2 4.35Å; V235-T237 HydrophobicContact CG1-CG2 4.08Å; V235-T237 PolarHBondContact O-N 2.96Å; V235-T237 PolarHBondContact O-OG1 2.8Å; V235-A240 WeakPolarHBondContact O-CB 3.35Å; V235-P250 WeakPolarHBondContact CG1-O 3.42Å; V235-P252 HydrophobicContact CG1-CB 4.3Å; V235-P252 HydrophobicContact CG1-CG 4Å; V235-F255 HydrophobicContact CG1-CB 4.12Å; V235-F255 HydrophobicContact CG2-CB 4.18Å; V235-F255 HydrophobicContact CG2-CD1 4.33Å; V235-F255 HydrophobicContact CG2-CD2 3.78Å; V235-F255 HydrophobicContact CG2-CE2 4.31Å; V235-F255 HydrophobicContact CG2-CG 3.81Å
236	A	94.9	Very high	93.3	Very high	15 Å²	15	57.2 Å²	57.2	12%	0.124	27%	0.27	C	S	.	.	S	Bend	trans	-66.8	84.2	-175.3	0	0	0	0	0	111.8	I242 P245 P250 P252	A236-I242 CarbonylContact C-O 3.58Å; A236-I242 HydrophobicContact CB-CG2 3.91Å; A236-P245 HydrophobicContact CB-CB 4.23Å; A236-P250 PolarHBondContact N-O 3.23Å; A236-P252 WeakPolarHBondContact O-CD 3.17Å; A236-P252 WeakPolarHBondContact O-CG 3.35Å
237	T	92.3	Very high	93.1	Very high	19 Å²	19	61.4 Å²	61.4	12%	0.117	29%	0.293	C	S	.	.	S	Bend	trans	-130.8	163.2	-175.9	59.4	0	0	0	0	110.8	I62 V235 L239 A240 K241 I242 P252	I62-T237 HydrophobicContact CG1-CG2 4.35Å; V235-T237 VanDerWaalsContact C-N 3.3Å; V235-T237 HydrophobicContact CB-CG2 4.35Å; V235-T237 HydrophobicContact CG1-CG2 4.08Å; V235-T237 PolarHBondContact O-N 2.96Å; V235-T237 PolarHBondContact O-OG1 2.8Å; T237-L239 VanDerWaalsContact C-N 3.31Å; T237-L239 PolarHBondContact O-N 3.12Å; T237-A240 PolarHBondContact O-N 2.8Å; T237-A240 WeakPolarHBondContact OG1-CB 3.38Å; T237-A240 PolarHBondContact OG1-N 3.06Å; T237-K241 PolarHBondContact O-N 2.77Å; T237-I242 PolarHBondContact N-O 2.77Å; T237-I242 PolarHBondContact O-N 3.25Å; T237-P252 HydrophobicContact CG2-CG 3.69Å
238	K	89.1	Confident	92.8	Very high	152 Å²	152	64.1 Å²	64.1	66%	0.661	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.3	172.2	-61.3	-170.4	-166.2	139.8	0	112.3	D60 A240 K241	D60-K238 IonicContact OD1-NZ 2.87Å; D60-K238 WeakPolarHBondContact OD2-CD 3.43Å; D60-K238 WeakPolarHBondContact OD2-CE 3.44Å; D60-K238 IonicContact OD2-NZ 3.19Å; D60-K238 PolarHBondContact OD2-NZ 3.32Å; K238-A240 VanDerWaalsContact C-N 3.35Å; K238-A240 PolarHBondContact O-N 3.31Å; K238-K241 PolarHBondContact O-N 3.27Å; K238-K241 VanDerWaalsContact O-N 3.08Å
239	L	85.9	Confident	92.7	Very high	98 Å²	98	67.2 Å²	67.2	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-44.5	177.1	-177.3	70.2	0	0	0	111.5	T237 K241	T237-L239 VanDerWaalsContact C-N 3.31Å; T237-L239 PolarHBondContact O-N 3.12Å; L239-K241 PolarHBondContact O-N 3.21Å
240	A	84.4	Confident	92.6	Very high	32 Å²	32	67.4 Å²	67.4	26%	0.264	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.3	178.3	0	0	0	0	0	113.6	F234 V235 T237 K238 I242	F234-A240 HydrophobicContact CD1-CB 4.32Å; V235-A240 WeakPolarHBondContact O-CB 3.35Å; T237-A240 PolarHBondContact O-N 2.8Å; T237-A240 WeakPolarHBondContact OG1-CB 3.38Å; T237-A240 PolarHBondContact OG1-N 3.06Å; K238-A240 VanDerWaalsContact C-N 3.35Å; K238-A240 PolarHBondContact O-N 3.31Å; A240-I242 HydrophobicContact CB-CD1 4.03Å; A240-I242 HydrophobicContact CB-CG1 4.44Å; A240-I242 PolarHBondContact O-N 3.49Å; A240-I242 VanDerWaalsContact O-N 3.16Å
241	K	89.6	Confident	92.6	Very high	125 Å²	125	69.3 Å²	69.3	54%	0.543	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	28.9	-175.4	-56.6	-176.5	176.9	-169.8	0	113.6	E139 T237 K238 L239	E139-K241 VanDerWaalsContact CG-NZ 3.29Å; E139-K241 WeakPolarHBondContact O-CE 3.32Å; E139-K241 PolarHBondContact O-NZ 2.95Å; T237-K241 PolarHBondContact O-N 2.77Å; K238-K241 PolarHBondContact O-N 3.27Å; K238-K241 VanDerWaalsContact O-N 3.08Å; L239-K241 PolarHBondContact O-N 3.21Å
242	I	87.9	Confident	92.6	Very high	33 Å²	33	69.8 Å²	69.8	17%	0.169	34%	0.338	C	S	.	.			trans	-107.8	123.9	179.2	-69.4	158.9	0	0	0	108.9	F234 A236 T237 A240 K249	F234-I242 HydrophobicContact CB-CD1 3.73Å; F234-I242 HydrophobicContact CD1-CD1 3.66Å; F234-I242 HydrophobicContact CG-CD1 3.85Å; A236-I242 CarbonylContact C-O 3.58Å; A236-I242 HydrophobicContact CB-CG2 3.91Å; T237-I242 PolarHBondContact N-O 2.77Å; T237-I242 PolarHBondContact O-N 3.25Å; A240-I242 HydrophobicContact CB-CD1 4.03Å; A240-I242 HydrophobicContact CB-CG1 4.44Å; A240-I242 PolarHBondContact O-N 3.49Å; A240-I242 VanDerWaalsContact O-N 3.16Å; I242-K249 HydrophobicContact CD1-CD 3.93Å; I242-K249 HydrophobicContact CD1-CG 4.44Å; I242-K249 HydrophobicContact CG2-CD 4.46Å
243	R	84.3	Confident	92.6	Very high	247 Å²	247	74 Å²	74	93%	0.932	36%	0.356	S	S	*	.			trans	-101.1	-37.5	179.6	-65.6	-176.7	179.2	-178.9	-2.2	113.7
244	K	90.6	Very high	92.7	Very high	171 Å²	171	75.4 Å²	75.4	74%	0.743	37%	0.369	S	S	*	.	S	Bend	trans	-98.7	117.1	-176.2	-169.3	175.8	-178.4	179.3	0	109.4
245	P	92.3	Very high	92.8	Very high	62 Å²	62	70.7 Å²	70.7	40%	0.403	35%	0.348	S	S	.	.			trans	-68.8	147.4	175.8	28.9	-34.2	0	0	0	111	A236 K249 T251	A236-P245 HydrophobicContact CB-CB 4.23Å; P245-K249 VanDerWaalsContact CA-O 3.23Å; P245-K249 WeakPolarHBondContact CA-O 3.39Å; P245-T251 HydrophobicContact CB-CG2 3.76Å; P245-T251 HydrophobicContact CG-CG2 3.86Å
246	T	94.5	Very high	92.9	Very high	63 Å²	63	70.5 Å²	70.5	39%	0.387	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-133.6	173.9	172.2	56.2	0	0	0	0	108.9	D248 K249	T246-D248 VanDerWaalsContact C-N 3.26Å; T246-D248 WeakPolarHBondContact CB-OD1 3.23Å; T246-D248 PolarHBondContact O-N 2.98Å; T246-D248 PolarHBondContact OG1-OD1 3.05Å; T246-K249 PolarHBondContact N-O 3.05Å; T246-K249 CarbonylContact O-C 3.52Å; T246-K249 PolarHBondContact O-N 3.42Å; T246-K249 VanDerWaalsContact O-O 3.1Å; T246-K249 VanDerWaalsContact OG1-CB 3.31Å; T246-K249 WeakPolarHBondContact OG1-CB 3.46Å; T246-K249 WeakPolarHBondContact OG1-CG 3.16Å; T246-K249 PolarHBondContact OG1-N 3.44Å
247	L	93.6	Very high	92.9	Very high	121 Å²	121	75.4 Å²	75.4	63%	0.634	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-40.7	-179.4	-177.9	65.1	0	0	0	112.5	Y272 I274	L247-Y272 VanDerWaalsContact O-CE1 3.28Å; L247-Y272 WeakPolarHBondContact O-CE1 3.31Å; L247-Y272 PolarHBondContact O-OH 3.46Å; L247-I274 HydrophobicContact CD1-CD1 4.3Å; L247-I274 HydrophobicContact CD1-CG1 4.15Å; L247-I274 HydrophobicContact CD2-CD1 4.35Å; L247-I274 HydrophobicContact CG-CD1 4.22Å; L247-I274 HydrophobicContact CG-CG1 4.12Å
248	D	93.4	Very high	93.1	Very high	58 Å²	58	75.5 Å²	75.5	31%	0.31	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.3	176.7	65.3	-51.1	0	0	0	113.5	T246 P250 I274 H275 M278	T246-D248 VanDerWaalsContact C-N 3.26Å; T246-D248 WeakPolarHBondContact CB-OD1 3.23Å; T246-D248 PolarHBondContact O-N 2.98Å; T246-D248 PolarHBondContact OG1-OD1 3.05Å; D248-P250 WeakPolarHBondContact O-CD 3.15Å; D248-I274 HydrophobicContact CB-CG2 4.36Å; D248-H275 PolarHBondContact O-CD2 3.31Å; D248-H275 PolarHBondContact O-NE2 3Å; D248-M278 HydrophobicContact CB-SD 4.02Å
249	K	95.9	Very high	93.4	Very high	65 Å²	65	68.3 Å²	68.3	28%	0.283	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-126.7	68.5	-179.7	-56.5	167.7	-176.1	157.9	0	109.5	F234 I242 P245 T246	F234-K249 HydrophobicContact CB-CD 4.32Å; F234-K249 HydrophobicContact CB-CG 3.76Å; F234-K249 WeakPolarHBondContact O-CA 3.32Å; I242-K249 HydrophobicContact CD1-CD 3.93Å; I242-K249 HydrophobicContact CD1-CG 4.44Å; I242-K249 HydrophobicContact CG2-CD 4.46Å; P245-K249 VanDerWaalsContact CA-O 3.23Å; P245-K249 WeakPolarHBondContact CA-O 3.39Å; T246-K249 PolarHBondContact N-O 3.05Å; T246-K249 CarbonylContact O-C 3.52Å; T246-K249 PolarHBondContact O-N 3.42Å; T246-K249 VanDerWaalsContact O-O 3.1Å; T246-K249 VanDerWaalsContact OG1-CB 3.31Å; T246-K249 WeakPolarHBondContact OG1-CB 3.46Å; T246-K249 WeakPolarHBondContact OG1-CG 3.16Å; T246-K249 PolarHBondContact OG1-N 3.44Å
250	P	97.3	Very high	93.9	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.032	31%	0.312	C	S	.	.			trans	-62.6	164.2	-175.3	29.3	-37.8	0	0	0	111.4	V235 A236 D248 T254 F255 Y272	V235-P250 WeakPolarHBondContact CG1-O 3.42Å; A236-P250 PolarHBondContact N-O 3.23Å; D248-P250 WeakPolarHBondContact O-CD 3.15Å; P250-T254 HydrophobicContact CB-CG2 4.01Å; P250-F255 HydrophobicContact CG-CB 4.05Å; P250-F255 HydrophobicContact CG-CD2 4.4Å; P250-Y272 HydrophobicContact CB-CE1 4.1Å; P250-Y272 HydrophobicContact CG-CD1 3.78Å; P250-Y272 HydrophobicContact CG-CE1 3.77Å; P250-Y272 HydrophobicContact CG-CG 4.32Å
251	T	97.8	Very high	94.3	Very high	39 Å²	39	65.1 Å²	65.1	24%	0.239	31%	0.312	C	S	.	.			trans	-65.6	156.2	165.9	77.4	0	0	0	0	110.1	P245 E253 T254 F255	P245-T251 HydrophobicContact CB-CG2 3.76Å; P245-T251 HydrophobicContact CG-CG2 3.86Å; T251-E253 WeakPolarHBondContact CB-OE2 3.41Å; T251-E253 PolarHBondContact O-N 2.83Å; T251-E253 PolarHBondContact OG1-OE2 3.38Å; T251-T254 PolarHBondContact O-N 3.02Å; T251-T254 PolarHBondContact OG1-N 2.77Å; T251-T254 PolarHBondContact OG1-OG1 3.48Å; T251-F255 WeakPolarHBondContact O-CB 3.33Å; T251-F255 PolarHBondContact O-N 2.96Å
252	P	97.4	Very high	94.5	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.071	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-38.5	175.2	-28.9	39.6	0	0	0	113.5	S65 V235 A236 T237 F255 V256	S65-P252 VanDerWaalsContact OG-C 3.27Å; S65-P252 WeakPolarHBondContact OG-CB 3.37Å; V235-P252 HydrophobicContact CG1-CB 4.3Å; V235-P252 HydrophobicContact CG1-CG 4Å; A236-P252 WeakPolarHBondContact O-CD 3.17Å; A236-P252 WeakPolarHBondContact O-CG 3.35Å; T237-P252 HydrophobicContact CG2-CG 3.69Å; P252-F255 PolarHBondContact O-N 2.59Å; P252-V256 WeakPolarHBondContact O-CB 3.22Å; P252-V256 WeakPolarHBondContact O-CG2 3.36Å; P252-V256 PolarHBondContact O-N 3.39Å
253	E	97.3	Very high	94.9	Very high	97 Å²	97	57.8 Å²	57.8	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-45	179.5	-52.7	74.7	-162.2	0	0	110.9	S65 T251 F255 V256 K257	S65-E253 PolarHBondContact OG-N 3.44Å; T251-E253 WeakPolarHBondContact CB-OE2 3.41Å; T251-E253 PolarHBondContact O-N 2.83Å; T251-E253 PolarHBondContact OG1-OE2 3.38Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 3.01Å; E253-V256 PolarHBondContact O-N 3.36Å; E253-K257 VanDerWaalsContact O-CB 3.22Å; E253-K257 WeakPolarHBondContact O-CB 3.3Å; E253-K257 PolarHBondContact O-N 3.36Å
254	T	97.3	Very high	95.2	Very high	67 Å²	67	48 Å²	48	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-43.7	177	-57.9	0	0	0	0	110.7	P250 T251 S258 Y272	P250-T254 HydrophobicContact CB-CG2 4.01Å; T251-T254 PolarHBondContact O-N 3.02Å; T251-T254 PolarHBondContact OG1-N 2.77Å; T251-T254 PolarHBondContact OG1-OG1 3.48Å; T254-S258 PolarHBondContact O-N 2.78Å; T254-Y272 HydrophobicContact CG2-CE2 4.39Å
255	F	98.1	Very high	95.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-53.4	176.9	176.7	-95.9	0	0	0	111.4	I62 V230 P232 V235 P250 T251 P252 E253 K257 S258 A259 N270 H275	I62-F255 HydrophobicContact CD1-CD1 4.35Å; I62-F255 HydrophobicContact CD1-CE1 4.35Å; I62-F255 HydrophobicContact CG1-CD1 4.3Å; I62-F255 HydrophobicContact CG2-CD1 4.43Å; I62-F255 HydrophobicContact CG2-CE1 4.37Å; V230-F255 HydrophobicContact CG1-CE1 4.32Å; V230-F255 HydrophobicContact CG1-CZ 3.9Å; P232-F255 HydrophobicContact CB-CE1 4.26Å; P232-F255 HydrophobicContact CB-CE2 3.78Å; P232-F255 HydrophobicContact CB-CZ 3.57Å; P232-F255 HydrophobicContact CG-CZ 4.38Å; V235-F255 HydrophobicContact CG1-CB 4.12Å; V235-F255 HydrophobicContact CG2-CB 4.18Å; V235-F255 HydrophobicContact CG2-CD1 4.33Å; V235-F255 HydrophobicContact CG2-CD2 3.78Å; V235-F255 HydrophobicContact CG2-CE2 4.31Å; V235-F255 HydrophobicContact CG2-CG 3.81Å; P250-F255 HydrophobicContact CG-CB 4.05Å; P250-F255 HydrophobicContact CG-CD2 4.4Å; T251-F255 WeakPolarHBondContact O-CB 3.33Å; T251-F255 PolarHBondContact O-N 2.96Å; P252-F255 PolarHBondContact O-N 2.59Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 3.01Å; F255-K257 PolarHBondContact O-N 3.05Å; F255-S258 WeakPolarHBondContact O-CA 3.47Å; F255-S258 VanDerWaalsContact O-CB 3.31Å; F255-S258 WeakPolarHBondContact O-CB 3.39Å; F255-S258 PolarHBondContact O-N 3.03Å; F255-S258 VanDerWaalsContact O-N 3.1Å; F255-A259 HydrophobicContact CE1-CB 4.07Å; F255-A259 HydrophobicContact CZ-CB 4.25Å; F255-A259 WeakPolarHBondContact O-CB 3.37Å; F255-A259 PolarHBondContact O-N 2.87Å; F255-N270 WeakPolarHBondContact CE2-O 3.19Å; F255-H275 AromaticContact CE2-ND1 3.83Å
256	V	97.6	Very high	95.3	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-40.3	-176.5	168.5	0	0	0	0	112.1	I62 Y66 E69 P252 E253 S258 A259 I260	I62-V256 HydrophobicContact CG2-CG2 4.09Å; Y66-V256 HydrophobicContact CD1-CG1 3.67Å; Y66-V256 HydrophobicContact CD1-CG2 4.45Å; Y66-V256 HydrophobicContact CD2-CG1 4.32Å; Y66-V256 HydrophobicContact CD2-CG2 3.62Å; Y66-V256 HydrophobicContact CE1-CG1 3.93Å; Y66-V256 HydrophobicContact CE2-CG2 3.75Å; Y66-V256 HydrophobicContact CG-CG1 3.87Å; Y66-V256 HydrophobicContact CG-CG2 3.99Å; E69-V256 HydrophobicContact CB-CG1 3.84Å; E69-V256 HydrophobicContact CG-CG1 4.22Å; P252-V256 WeakPolarHBondContact O-CB 3.22Å; P252-V256 WeakPolarHBondContact O-CG2 3.36Å; P252-V256 PolarHBondContact O-N 3.39Å; E253-V256 PolarHBondContact O-N 3.36Å; V256-S258 PolarHBondContact O-N 3.46Å; V256-A259 PolarHBondContact O-N 3.21Å; V256-A259 VanDerWaalsContact O-N 3.11Å; V256-I260 WeakPolarHBondContact O-CB 3.23Å; V256-I260 PolarHBondContact O-N 3.19Å
257	K	95.4	Very high	95.4	Very high	117 Å²	117	39.8 Å²	39.8	51%	0.509	22%	0.215	S	C	.	.	H	α-helix	trans	-57.8	-32.1	174.5	-174.2	-180	-179.5	-175.4	0	111.9	E253 F255 K261	E253-K257 VanDerWaalsContact O-CB 3.22Å; E253-K257 WeakPolarHBondContact O-CB 3.3Å; E253-K257 PolarHBondContact O-N 3.36Å; F255-K257 PolarHBondContact O-N 3.05Å; K257-K261 WeakPolarHBondContact O-CE 3.35Å; K257-K261 WeakPolarHBondContact O-CG 3.41Å
258	S	95.1	Very high	95.5	Very high	22 Å²	22	38.7 Å²	38.7	15%	0.154	20%	0.203	C	C	.	.	H	α-helix	trans	-77.4	-47.4	173.5	-161.4	0	0	0	0	111.3	W37 T254 F255 V256 I260 K261 G271	W37-S258 VanDerWaalsContact CZ3-OG 3.26Å; W37-S258 WeakPolarHBondContact CZ3-OG 3.29Å; T254-S258 PolarHBondContact O-N 2.78Å; F255-S258 WeakPolarHBondContact O-CA 3.47Å; F255-S258 VanDerWaalsContact O-CB 3.31Å; F255-S258 WeakPolarHBondContact O-CB 3.39Å; F255-S258 PolarHBondContact O-N 3.03Å; F255-S258 VanDerWaalsContact O-N 3.1Å; V256-S258 PolarHBondContact O-N 3.46Å; S258-I260 PolarHBondContact O-N 3.47Å; S258-K261 PolarHBondContact O-N 3.45Å; S258-G271 CarbonylContact C-O 3.57Å; S258-G271 VanDerWaalsContact C-O 3.25Å; S258-G271 WeakPolarHBondContact CB-O 3.28Å; S258-G271 PolarHBondContact OG-O 3.35Å
259	A	96.3	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-40.1	-172.8	0	0	0	0	0	112.4	Y66 F255 V256 K261 T262 G271	Y66-A259 WeakPolarHBondContact OH-CB 3.43Å; F255-A259 HydrophobicContact CE1-CB 4.07Å; F255-A259 HydrophobicContact CZ-CB 4.25Å; F255-A259 WeakPolarHBondContact O-CB 3.37Å; F255-A259 PolarHBondContact O-N 2.87Å; V256-A259 PolarHBondContact O-N 3.21Å; V256-A259 VanDerWaalsContact O-N 3.11Å; A259-K261 PolarHBondContact O-N 3.35Å; A259-K261 VanDerWaalsContact O-N 3.16Å; A259-T262 WeakPolarHBondContact O-CB 3.24Å; A259-T262 PolarHBondContact O-N 2.94Å; A259-T262 PolarHBondContact O-OG1 3.44Å; A259-G271 WeakPolarHBondContact CA-O 3.47Å; A259-G271 WeakPolarHBondContact CB-O 3.1Å; A259-G271 PolarHBondContact N-O 3.28Å
260	I	95.2	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.8	-177.3	-154.7	162.9	0	0	0	112.7	V45 E69 L70 V256 S258 T262 V263	V45-I260 HydrophobicContact CB-CG1 4.42Å; V45-I260 HydrophobicContact CG1-CD1 3.95Å; V45-I260 HydrophobicContact CG1-CG1 3.97Å; V45-I260 HydrophobicContact CG2-CG1 4.36Å; E69-I260 HydrophobicContact CB-CD1 4.36Å; E69-I260 HydrophobicContact CG-CD1 3.69Å; E69-I260 HydrophobicContact CG-CG2 4.04Å; L70-I260 HydrophobicContact CD2-CD1 3.87Å; L70-I260 HydrophobicContact CG-CD1 4.35Å; V256-I260 WeakPolarHBondContact O-CB 3.23Å; V256-I260 PolarHBondContact O-N 3.19Å; S258-I260 PolarHBondContact O-N 3.47Å; I260-T262 PolarHBondContact O-N 2.88Å; I260-V263 HydrophobicContact CG1-CG2 4.48Å; I260-V263 WeakPolarHBondContact O-CB 3.36Å; I260-V263 WeakPolarHBondContact O-CG2 3.45Å; I260-V263 PolarHBondContact O-N 3.11Å
261	K	93.2	Very high	95.5	Very high	63 Å²	63	33.6 Å²	33.6	27%	0.274	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.9	-17.2	176.8	-58.6	-171.9	-173.7	-147.8	0	113.3	N41 E42 K257 S258 A259	N41-K261 PolarHBondContact N-O 2.89Å; E42-K261 HydrophobicContact CG-CD 4.4Å; E42-K261 HydrophobicContact CG-CG 4.21Å; E42-K261 WeakPolarHBondContact OE1-CE 3.47Å; E42-K261 IonicContact OE1-NZ 3.65Å; E42-K261 PolarHBondContact OE1-NZ 3.23Å; K257-K261 WeakPolarHBondContact O-CE 3.35Å; K257-K261 WeakPolarHBondContact O-CG 3.41Å; S258-K261 PolarHBondContact O-N 3.45Å; A259-K261 PolarHBondContact O-N 3.35Å; A259-K261 VanDerWaalsContact O-N 3.16Å
262	T	94.4	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-88.6	-15	-179.3	73.9	0	0	0	0	112.8	V36 W37 Q228 A259 I260 G264 L265 Q266	V36-T262 HydrophobicContact CG1-CG2 3.83Å; W37-T262 HydrophobicContact CH2-CG2 3.8Å; W37-T262 HydrophobicContact CZ2-CG2 4.24Å; W37-T262 HydrophobicContact CZ3-CG2 4.2Å; Q228-T262 PolarHBondContact NE2-O 3.06Å; Q228-T262 PolarHBondContact NE2-OG1 2.96Å; A259-T262 WeakPolarHBondContact O-CB 3.24Å; A259-T262 PolarHBondContact O-N 2.94Å; A259-T262 PolarHBondContact O-OG1 3.44Å; I260-T262 PolarHBondContact O-N 2.88Å; T262-G264 PolarHBondContact O-N 3.37Å; T262-L265 WeakPolarHBondContact O-CB 3.17Å; T262-L265 PolarHBondContact O-N 2.88Å; T262-Q266 PolarHBondContact O-N 3.34Å
263	V	95	Very high	95.2	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	132.8	-179.9	180	0	0	0	0	109	N41 V45 A183 L185 F226 I260 L265	N41-V263 WeakPolarHBondContact CB-O 3.43Å; N41-V263 PolarHBondContact ND2-O 3.2Å; V45-V263 HydrophobicContact CG2-CB 3.64Å; V45-V263 HydrophobicContact CG2-CG1 3.71Å; V45-V263 HydrophobicContact CG2-CG2 4.33Å; A183-V263 HydrophobicContact CB-CG1 4.43Å; L185-V263 HydrophobicContact CD1-CG2 4.01Å; L185-V263 HydrophobicContact CD2-CG1 4.06Å; L185-V263 HydrophobicContact CD2-CG2 3.79Å; F226-V263 HydrophobicContact CD1-CG1 3.99Å; F226-V263 HydrophobicContact CE1-CG1 4.06Å; I260-V263 HydrophobicContact CG1-CG2 4.48Å; I260-V263 WeakPolarHBondContact O-CB 3.36Å; I260-V263 WeakPolarHBondContact O-CG2 3.45Å; I260-V263 PolarHBondContact O-N 3.11Å; V263-L265 PolarHBondContact O-N 3.44Å
264	G	92.1	Very high	95	Very high	41 Å²	41	34.3 Å²	34.3	42%	0.423	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-10.4	-173.1	0	0	0	0	0	115.1	T262	T262-G264 PolarHBondContact O-N 3.37Å
265	L	91.9	Very high	95	Very high	44 Å²	44	31.1 Å²	31.1	23%	0.23	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-37.2	178.2	-58.9	-178.8	0	0	0	113.2	V36 N41 T262 V263	V36-L265 HydrophobicContact CG2-CB 4.09Å; V36-L265 HydrophobicContact CG2-CD1 4.29Å; N41-L265 HydrophobicContact CB-CD1 3.76Å; N41-L265 HydrophobicContact CB-CD2 4.07Å; N41-L265 HydrophobicContact CB-CG 3.64Å; T262-L265 WeakPolarHBondContact O-CB 3.17Å; T262-L265 PolarHBondContact O-N 2.88Å; V263-L265 PolarHBondContact O-N 3.44Å
266	Q	93.2	Very high	94.7	Very high	41 Å²	41	33 Å²	33	19%	0.192	17%	0.172	C	C	.	.			trans	-132.2	116.5	-178.7	-62.3	-168.1	-56.1	0	0	110.3	V36 F226 Q228 T262 R268 T269	V36-Q266 HydrophobicContact CG1-CG 4.38Å; V36-Q266 HydrophobicContact CG2-CG 3.67Å; F226-Q266 WeakPolarHBondContact CZ-O 3.44Å; Q228-Q266 WeakPolarHBondContact CG-O 3.11Å; Q228-Q266 PolarHBondContact NE2-O 2.91Å; T262-Q266 PolarHBondContact O-N 3.34Å; Q266-R268 PolarHBondContact O-N 2.85Å; Q266-T269 PolarHBondContact OE1-OG1 2.97Å; Q266-T269 VanDerWaalsContact OE1-OG1 3.07Å
267	S	95.6	Very high	94.4	Very high	38 Å²	38	37.3 Å²	37.3	27%	0.266	20%	0.195	S	C	.	.	S	Bend	trans	-70.7	-16.6	172.7	55.7	0	0	0	0	112.8	H217 Q228 S229	H217-S267 WeakPolarHBondContact CD2-CB 3.5Å; Q228-S267 CarbonylContact C-O 3.33Å; Q228-S267 VanDerWaalsContact CA-O 3.3Å; Q228-S267 WeakPolarHBondContact CA-O 3.27Å; S229-S267 PolarHBondContact N-O 3.37Å
268	R	96.6	Very high	94.3	Very high	98 Å²	98	34.2 Å²	34.2	37%	0.37	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.6	175	-169	179	-175.1	-116.5	5.9	110.1	D210 S229 L231 Q266	D210-R268 IonicContact OD1-NE 3.89Å; D210-R268 PolarHBondContact OD1-NE 2.93Å; D210-R268 IonicContact OD2-CZ 3.52Å; D210-R268 VanDerWaalsContact OD2-CZ 3.27Å; D210-R268 IonicContact OD2-NE 3.97Å; D210-R268 PolarHBondContact OD2-NE 3.27Å; D210-R268 IonicContact OD2-NH2 2.71Å; D210-R268 PolarHBondContact OD2-NH2 2.68Å; S229-R268 WeakPolarHBondContact O-CA 3.41Å; L231-R268 HydrophobicContact CD1-CG 3.55Å; Q266-R268 PolarHBondContact O-N 2.85Å
269	T	95.9	Very high	94.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.4	-173.7	-172.1	0	0	0	0	112.2	Q228 S229 V230 L231 Q266 G271	Q228-T269 HydrophobicContact CG-CG2 4.14Å; S229-T269 PolarHBondContact O-N 2.68Å; V230-T269 CarbonylContact C-O 3.57Å; V230-T269 WeakPolarHBondContact CA-O 3.32Å; V230-T269 HydrophobicContact CG1-CG2 4.44Å; V230-T269 HydrophobicContact CG2-CG2 4.36Å; L231-T269 WeakPolarHBondContact CD1-O 3.36Å; L231-T269 PolarHBondContact N-O 2.96Å; Q266-T269 PolarHBondContact OE1-OG1 2.97Å; Q266-T269 VanDerWaalsContact OE1-OG1 3.07Å; T269-G271 VanDerWaalsContact C-N 3.26Å; T269-G271 PolarHBondContact OG1-N 2.94Å; T269-G271 VanDerWaalsContact OG1-N 3.11Å
270	N	96.3	Very high	93.8	Very high	16 Å²	16	40.7 Å²	40.7	9%	0.086	21%	0.205	C	C	.	.			trans	-84.3	-1.1	167.2	-60.8	97.3	0	0	0	113	M193 L231 F255 Y272 H275 V276	M193-N270 PolarHBondContact SD-ND2 3.19Å; L231-N270 WeakPolarHBondContact O-CA 3.33Å; L231-N270 PolarHBondContact O-ND2 3.18Å; F255-N270 WeakPolarHBondContact CE2-O 3.19Å; N270-Y272 PolarHBondContact O-N 3.08Å; N270-H275 HydrophobicContact CB-CB 3.78Å; N270-V276 HydrophobicContact CB-CG2 3.87Å
271	G	94.6	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	73.7	-14.8	172.3	0	0	0	0	0	115.9	S258 A259 T269	S258-G271 CarbonylContact C-O 3.57Å; S258-G271 VanDerWaalsContact C-O 3.25Å; S258-G271 WeakPolarHBondContact CB-O 3.28Å; S258-G271 PolarHBondContact OG-O 3.35Å; A259-G271 WeakPolarHBondContact CA-O 3.47Å; A259-G271 WeakPolarHBondContact CB-O 3.1Å; A259-G271 PolarHBondContact N-O 3.28Å; T269-G271 VanDerWaalsContact C-N 3.26Å; T269-G271 PolarHBondContact OG1-N 2.94Å; T269-G271 VanDerWaalsContact OG1-N 3.11Å
272	Y	95.5	Very high	93.5	Very high	31 Å²	31	43.5 Å²	43.5	12%	0.122	22%	0.221	C	C	.	.	S	Bend	trans	-143.8	138.2	179.9	177.1	-123.8	0	0	0	110.7	L247 P250 T254 N270 I274 H275 V276	L247-Y272 VanDerWaalsContact O-CE1 3.28Å; L247-Y272 WeakPolarHBondContact O-CE1 3.31Å; L247-Y272 PolarHBondContact O-OH 3.46Å; P250-Y272 HydrophobicContact CB-CE1 4.1Å; P250-Y272 HydrophobicContact CG-CD1 3.78Å; P250-Y272 HydrophobicContact CG-CE1 3.77Å; P250-Y272 HydrophobicContact CG-CG 4.32Å; T254-Y272 HydrophobicContact CG2-CE2 4.39Å; N270-Y272 PolarHBondContact O-N 3.08Å; Y272-I274 VanDerWaalsContact C-N 3.33Å; Y272-I274 HydrophobicContact CD1-CB 3.86Å; Y272-I274 HydrophobicContact CD1-CG1 4.32Å; Y272-I274 HydrophobicContact CE1-CB 3.48Å; Y272-I274 VanDerWaalsContact CE1-CB 3.48Å; Y272-I274 HydrophobicContact CE1-CG1 3.55Å; Y272-I274 HydrophobicContact CE1-CG2 4.49Å; Y272-I274 PolarHBondContact O-N 3.16Å; Y272-H275 HydrophobicContact CD1-CB 4.42Å; Y272-H275 AromaticContact CD1-CD2 3.7Å; Y272-H275 AromaticContact CD1-CG 3.92Å; Y272-H275 CarbonylContact O-C 3.56Å; Y272-H275 WeakPolarHBondContact O-CA 3.44Å; Y272-H275 VanDerWaalsContact O-CB 3.31Å; Y272-H275 WeakPolarHBondContact O-CB 3.36Å; Y272-H275 PolarHBondContact O-N 3.34Å; Y272-V276 PolarHBondContact O-N 3.48Å
273	L	91.8	Very high	93.3	Very high	89 Å²	89	46.6 Å²	46.6	47%	0.466	24%	0.243	S	C	.	.	H	α-helix	trans	-56.4	-43.9	-171	179.3	62.3	0	0	0	113.1	W37 H275 V276 L277	W37-L273 HydrophobicContact CD2-CB 4.27Å; W37-L273 HydrophobicContact CD2-CD1 4.04Å; W37-L273 HydrophobicContact CE3-CB 4.2Å; W37-L273 HydrophobicContact CG-CD1 3.93Å; W37-L273 HydrophobicContact CZ3-CB 4.42Å; L273-H275 VanDerWaalsContact C-N 3.28Å; L273-H275 PolarHBondContact O-N 3.45Å; L273-V276 PolarHBondContact O-N 2.89Å; L273-L277 PolarHBondContact O-N 3.39Å
274	I	94.3	Very high	93.1	Very high	43 Å²	43	51.3 Å²	51.3	22%	0.221	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-37.7	177.7	-54.1	-60.4	0	0	0	110.6	L247 D248 Y272 L277 M278	L247-I274 HydrophobicContact CD1-CD1 4.3Å; L247-I274 HydrophobicContact CD1-CG1 4.15Å; L247-I274 HydrophobicContact CD2-CD1 4.35Å; L247-I274 HydrophobicContact CG-CD1 4.22Å; L247-I274 HydrophobicContact CG-CG1 4.12Å; D248-I274 HydrophobicContact CB-CG2 4.36Å; Y272-I274 VanDerWaalsContact C-N 3.33Å; Y272-I274 HydrophobicContact CD1-CB 3.86Å; Y272-I274 HydrophobicContact CD1-CG1 4.32Å; Y272-I274 HydrophobicContact CE1-CB 3.48Å; Y272-I274 VanDerWaalsContact CE1-CB 3.48Å; Y272-I274 HydrophobicContact CE1-CG1 3.55Å; Y272-I274 HydrophobicContact CE1-CG2 4.49Å; Y272-I274 PolarHBondContact O-N 3.16Å; I274-L277 PolarHBondContact O-N 3.09Å; I274-M278 HydrophobicContact CG2-SD 4.21Å; I274-M278 VanDerWaalsContact O-CG 3.23Å; I274-M278 WeakPolarHBondContact O-CG 3.31Å; I274-M278 PolarHBondContact O-N 2.86Å
275	H	95.9	Very high	93	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-36.3	175.8	-73.1	-168.7	0	0	0	111.9	Y233 F234 D248 F255 N270 Y272 L273 M278 G279	Y233-H275 HydrophobicContact CD2-CB 3.78Å; Y233-H275 WeakPolarHBondContact CD2-O 3.09Å; Y233-H275 VanDerWaalsContact CE2-O 3.25Å; Y233-H275 WeakPolarHBondContact CE2-O 3.31Å; Y233-H275 PolarHBondContact N-CE1 3.07Å; Y233-H275 PolarHBondContact N-ND1 2.71Å; F234-H275 PolarHBondContact O-CE1 3.4Å; F234-H275 VanDerWaalsContact O-CE1 3.23Å; F234-H275 PolarHBondContact O-NE2 3.4Å; D248-H275 PolarHBondContact O-CD2 3.31Å; D248-H275 PolarHBondContact O-NE2 3Å; F255-H275 AromaticContact CE2-ND1 3.83Å; N270-H275 HydrophobicContact CB-CB 3.78Å; Y272-H275 HydrophobicContact CD1-CB 4.42Å; Y272-H275 AromaticContact CD1-CD2 3.7Å; Y272-H275 AromaticContact CD1-CG 3.92Å; Y272-H275 CarbonylContact O-C 3.56Å; Y272-H275 WeakPolarHBondContact O-CA 3.44Å; Y272-H275 VanDerWaalsContact O-CB 3.31Å; Y272-H275 WeakPolarHBondContact O-CB 3.36Å; Y272-H275 PolarHBondContact O-N 3.34Å; L273-H275 VanDerWaalsContact C-N 3.28Å; L273-H275 PolarHBondContact O-N 3.45Å; H275-M278 PolarHBondContact O-N 2.89Å; H275-G279 PolarHBondContact O-N 2.88Å
276	V	92.5	Very high	93.2	Very high	40 Å²	40	53.2 Å²	53.2	24%	0.242	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44.7	172.5	171.4	0	0	0	0	111.1	W37 N270 Y272 L273 M278 G279 W280	W37-V276 HydrophobicContact CZ2-CG2 3.64Å; N270-V276 HydrophobicContact CB-CG2 3.87Å; Y272-V276 PolarHBondContact O-N 3.48Å; L273-V276 PolarHBondContact O-N 2.89Å; V276-M278 VanDerWaalsContact C-N 3.35Å; V276-M278 PolarHBondContact O-N 3.47Å; V276-G279 PolarHBondContact O-N 3.46Å; V276-W280 WeakPolarHBondContact O-CB 3.34Å; V276-W280 PolarHBondContact O-N 3.13Å
277	L	91.5	Very high	93.2	Very high	91 Å²	91	55.4 Å²	55.4	48%	0.476	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-44.9	176.6	-179.9	62.6	0	0	0	111.4	L273 I274 G279 W280 I281	L273-L277 PolarHBondContact O-N 3.39Å; I274-L277 PolarHBondContact O-N 3.09Å; L277-G279 PolarHBondContact O-N 2.97Å; L277-W280 HydrophobicContact CD1-CE3 4.4Å; L277-W280 PolarHBondContact O-N 3.21Å; L277-I281 HydrophobicContact CD1-CD1 4.35Å; L277-I281 HydrophobicContact CG-CD1 4.13Å; L277-I281 WeakPolarHBondContact O-CG1 3.4Å; L277-I281 PolarHBondContact O-N 2.88Å
278	M	92.9	Very high	93.2	Very high	52 Å²	52	61.6 Å²	61.6	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-46.4	174.6	-70.5	170.7	66.9	0	0	111.6	Y233 D248 I274 H275 V276 W280 I281 I282	Y233-M278 HydrophobicContact CD1-CE 4.5Å; Y233-M278 HydrophobicContact CD2-CB 4.18Å; Y233-M278 HydrophobicContact CE2-CB 4.06Å; Y233-M278 HydrophobicContact CG-CE 4.23Å; D248-M278 HydrophobicContact CB-SD 4.02Å; I274-M278 HydrophobicContact CG2-SD 4.21Å; I274-M278 VanDerWaalsContact O-CG 3.23Å; I274-M278 WeakPolarHBondContact O-CG 3.31Å; I274-M278 PolarHBondContact O-N 2.86Å; H275-M278 PolarHBondContact O-N 2.89Å; V276-M278 VanDerWaalsContact C-N 3.35Å; V276-M278 PolarHBondContact O-N 3.47Å; M278-W280 VanDerWaalsContact C-N 3.32Å; M278-W280 PolarHBondContact O-N 3.36Å; M278-I281 PolarHBondContact O-N 2.75Å; M278-I282 WeakPolarHBondContact O-CB 3.47Å; M278-I282 WeakPolarHBondContact O-CD1 3.44Å; M278-I282 VanDerWaalsContact O-CG1 3.25Å; M278-I282 WeakPolarHBondContact O-CG1 3.44Å; M278-I282 PolarHBondContact O-N 3.13Å
279	G	91.8	Very high	93.1	Very high	2 Å²	2	59.4 Å²	59.4	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-42.3	177.2	0	0	0	0	0	112.5	Y233 H275 V276 L277 I282 S283	Y233-G279 VanDerWaalsContact OH-CA 3.25Å; Y233-G279 WeakPolarHBondContact OH-CA 3.26Å; H275-G279 PolarHBondContact O-N 2.88Å; V276-G279 PolarHBondContact O-N 3.46Å; L277-G279 PolarHBondContact O-N 2.97Å; G279-I282 PolarHBondContact O-N 2.98Å; G279-S283 VanDerWaalsContact O-CB 3.32Å; G279-S283 WeakPolarHBondContact O-CB 3.38Å; G279-S283 PolarHBondContact O-N 3.32Å; G279-S283 PolarHBondContact O-OG 3.46Å
280	W	89.8	Confident	93.1	Very high	156 Å²	156	60.3 Å²	60.3	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-62.6	-47.5	175.1	-178.7	83.1	0	0	0	111.9	V276 L277 M278 I282 S283 N284	V276-W280 WeakPolarHBondContact O-CB 3.34Å; V276-W280 PolarHBondContact O-N 3.13Å; L277-W280 HydrophobicContact CD1-CE3 4.4Å; L277-W280 PolarHBondContact O-N 3.21Å; M278-W280 VanDerWaalsContact C-N 3.32Å; M278-W280 PolarHBondContact O-N 3.36Å; W280-I282 PolarHBondContact O-N 3.35Å; W280-S283 PolarHBondContact O-N 3.05Å; W280-N284 PolarHBondContact O-N 3.49Å; W280-N284 PolarHBondContact O-ND2 3.47Å
281	I	90.9	Very high	93.1	Very high	88 Å²	88	62.6 Å²	62.6	45%	0.451	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-49.5	177.1	-67.4	167.8	0	0	0	110.4	L277 M278 S283 N284	L277-I281 HydrophobicContact CD1-CD1 4.35Å; L277-I281 HydrophobicContact CG-CD1 4.13Å; L277-I281 WeakPolarHBondContact O-CG1 3.4Å; L277-I281 PolarHBondContact O-N 2.88Å; M278-I281 PolarHBondContact O-N 2.75Å; I281-S283 VanDerWaalsContact C-N 3.31Å; I281-S283 PolarHBondContact O-N 3.27Å; I281-N284 PolarHBondContact O-N 2.95Å; I281-N284 VanDerWaalsContact O-N 3.16Å
282	I	91.4	Very high	93.2	Very high	34 Å²	34	69 Å²	69	17%	0.174	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-39.5	-178.2	-68.3	165.3	0	0	0	111.1	F194 Y233 M278 G279 W280 N284 L285 Y290	F194-I282 HydrophobicContact CD2-CG2 3.72Å; F194-I282 HydrophobicContact CE2-CB 4.28Å; F194-I282 HydrophobicContact CE2-CG2 3.49Å; F194-I282 VanDerWaalsContact CE2-CG2 3.49Å; F194-I282 HydrophobicContact CG-CG2 4.45Å; F194-I282 HydrophobicContact CZ-CG2 4.06Å; Y233-I282 HydrophobicContact CE1-CD1 3.85Å; M278-I282 WeakPolarHBondContact O-CB 3.47Å; M278-I282 WeakPolarHBondContact O-CD1 3.44Å; M278-I282 VanDerWaalsContact O-CG1 3.25Å; M278-I282 WeakPolarHBondContact O-CG1 3.44Å; M278-I282 PolarHBondContact O-N 3.13Å; G279-I282 PolarHBondContact O-N 2.98Å; W280-I282 PolarHBondContact O-N 3.35Å; I282-N284 PolarHBondContact O-N 2.9Å; I282-L285 WeakPolarHBondContact O-CB 3.3Å; I282-L285 PolarHBondContact O-N 3.32Å; I282-L285 VanDerWaalsContact O-N 3.07Å; I282-Y290 HydrophobicContact CG2-CD2 3.54Å; I282-Y290 HydrophobicContact CG2-CE2 3.51Å; I282-Y290 HydrophobicContact CG2-CG 4.49Å
283	S	89.9	Confident	93.2	Very high	64 Å²	64	71.9 Å²	71.9	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-21.5	179	-57.5	0	0	0	0	113.7	F194 G279 W280 I281	F194-S283 WeakPolarHBondContact CZ-OG 3.35Å; G279-S283 VanDerWaalsContact O-CB 3.32Å; G279-S283 WeakPolarHBondContact O-CB 3.38Å; G279-S283 PolarHBondContact O-N 3.32Å; G279-S283 PolarHBondContact O-OG 3.46Å; W280-S283 PolarHBondContact O-N 3.05Å; I281-S283 VanDerWaalsContact C-N 3.31Å; I281-S283 PolarHBondContact O-N 3.27Å
284	N	89.8	Confident	93.5	Very high	104 Å²	104	68.1 Å²	68.1	56%	0.556	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-5	178.3	-73.3	-79.8	0	0	0	113	W280 I281 I282	W280-N284 PolarHBondContact O-N 3.49Å; W280-N284 PolarHBondContact O-ND2 3.47Å; I281-N284 PolarHBondContact O-N 2.95Å; I281-N284 VanDerWaalsContact O-N 3.16Å; I282-N284 PolarHBondContact O-N 2.9Å
285	L	91.8	Very high	93.6	Very high	63 Å²	63	68.1 Å²	68.1	33%	0.33	34%	0.344	S	S	.	.	S	Bend	trans	-77.7	137.7	176.6	-66.4	176.4	0	0	0	110.9	I282 S287 I293	I282-L285 WeakPolarHBondContact O-CB 3.3Å; I282-L285 PolarHBondContact O-N 3.32Å; I282-L285 VanDerWaalsContact O-N 3.07Å; L285-S287 PolarHBondContact O-N 3.4Å; L285-I293 HydrophobicContact CD1-CD1 4.46Å
286	P	94.7	Very high	93.7	Very high	63 Å²	63	72.4 Å²	72.4	41%	0.409	37%	0.367	S	S	.	.			trans	-53	136.3	164.4	-24.9	33	0	0	0	111	W288 I289 Y290	P286-W288 VanDerWaalsContact C-N 3.26Å; P286-W288 PolarHBondContact O-N 3Å; P286-W288 VanDerWaalsContact O-N 3.16Å; P286-I289 HydrophobicContact CB-CD1 4.24Å; P286-I289 HydrophobicContact CB-CG1 4.18Å; P286-I289 HydrophobicContact CG-CD1 3.9Å; P286-I289 HydrophobicContact CG-CG1 4.39Å; P286-I289 WeakPolarHBondContact O-CB 3.45Å; P286-I289 PolarHBondContact O-N 3.16Å; P286-Y290 PolarHBondContact O-N 3.23Å; P286-Y290 VanDerWaalsContact O-N 3.09Å
287	S	93.8	Very high	93.9	Very high	87 Å²	87	74.8 Å²	74.8	61%	0.608	38%	0.376	S	S	*	.	H	α-helix	trans	-54.3	-40.2	-174	57.2	0	0	0	0	113	L285 I289 Y290 L291	L285-S287 PolarHBondContact O-N 3.4Å; S287-I289 VanDerWaalsContact C-N 3.34Å; S287-I289 PolarHBondContact O-N 2.88Å; S287-Y290 PolarHBondContact O-N 3.21Å; S287-L291 WeakPolarHBondContact O-CB 3.5Å; S287-L291 VanDerWaalsContact O-CG 3.22Å; S287-L291 WeakPolarHBondContact O-CG 3.49Å; S287-L291 PolarHBondContact O-N 2.65Å
288	W	95	Very high	94.2	Very high	167 Å²	167	70.9 Å²	70.9	63%	0.633	36%	0.356	S	S	*	.	H	α-helix	trans	-65.2	-34.3	178.4	67.3	-92.9	0	0	0	113.1	P286 K292	P286-W288 VanDerWaalsContact C-N 3.26Å; P286-W288 PolarHBondContact O-N 3Å; P286-W288 VanDerWaalsContact O-N 3.16Å; W288-K292 WeakPolarHBondContact O-CB 3.49Å; W288-K292 PolarHBondContact O-N 3.5Å; W288-K292 VanDerWaalsContact O-N 3.11Å
289	I	95.9	Very high	94.4	Very high	52 Å²	52	72.5 Å²	72.5	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-69.1	-50.6	175.2	-63.3	-176.2	0	0	0	109.2	P286 S287 L291 K292 I293	P286-I289 HydrophobicContact CB-CD1 4.24Å; P286-I289 HydrophobicContact CB-CG1 4.18Å; P286-I289 HydrophobicContact CG-CD1 3.9Å; P286-I289 HydrophobicContact CG-CG1 4.39Å; P286-I289 WeakPolarHBondContact O-CB 3.45Å; P286-I289 PolarHBondContact O-N 3.16Å; S287-I289 VanDerWaalsContact C-N 3.34Å; S287-I289 PolarHBondContact O-N 2.88Å; I289-L291 PolarHBondContact O-N 3Å; I289-K292 PolarHBondContact O-N 3.11Å; I289-I293 HydrophobicContact CG2-CD1 3.78Å; I289-I293 HydrophobicContact CG2-CG1 4.42Å; I289-I293 WeakPolarHBondContact O-CG1 3.4Å; I289-I293 PolarHBondContact O-N 3.14Å
290	Y	94.8	Very high	94.7	Very high	25 Å²	25	75.3 Å²	75.3	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-55.5	-50.7	178.4	168.9	-101.5	0	0	0	111.6	F194 P195 I282 P286 S287 K292 I293 V294	F194-Y290 HydrophobicContact CB-CD1 4.23Å; F194-Y290 HydrophobicContact CB-CE1 3.37Å; F194-Y290 HydrophobicContact CB-CE2 4.45Å; F194-Y290 WeakPolarHBondContact CB-OH 3.27Å; F194-Y290 HydrophobicContact CG-CE1 4.16Å; P195-Y290 VanDerWaalsContact O-CE1 3.3Å; P195-Y290 WeakPolarHBondContact O-CE1 3.07Å; I282-Y290 HydrophobicContact CG2-CD2 3.54Å; I282-Y290 HydrophobicContact CG2-CE2 3.51Å; I282-Y290 HydrophobicContact CG2-CG 4.49Å; P286-Y290 PolarHBondContact O-N 3.23Å; P286-Y290 VanDerWaalsContact O-N 3.09Å; S287-Y290 PolarHBondContact O-N 3.21Å; Y290-K292 VanDerWaalsContact C-N 3.31Å; Y290-K292 PolarHBondContact O-N 3.4Å; Y290-I293 PolarHBondContact O-N 3.25Å; Y290-V294 HydrophobicContact CD2-CG2 3.95Å; Y290-V294 HydrophobicContact CE1-CG2 4.13Å; Y290-V294 HydrophobicContact CE2-CG2 3.45Å; Y290-V294 VanDerWaalsContact CE2-CG2 3.45Å; Y290-V294 WeakPolarHBondContact O-CG2 3.31Å; Y290-V294 PolarHBondContact O-N 3.23Å
291	L	96.4	Very high	95	Very high	63 Å²	63	71.2 Å²	71.2	33%	0.33	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-40.4	179.3	-72.3	171.3	0	0	0	111.9	P195 P197 S287 I289 M295	P195-L291 HydrophobicContact CB-CD2 4.2Å; P197-L291 HydrophobicContact CG-CD2 3.95Å; S287-L291 WeakPolarHBondContact O-CB 3.5Å; S287-L291 VanDerWaalsContact O-CG 3.22Å; S287-L291 WeakPolarHBondContact O-CG 3.49Å; S287-L291 PolarHBondContact O-N 2.65Å; I289-L291 PolarHBondContact O-N 3Å; L291-M295 WeakPolarHBondContact O-CB 3.3Å; L291-M295 PolarHBondContact O-N 3.44Å
292	K	96.9	Very high	95.2	Very high	134 Å²	134	69.9 Å²	69.9	58%	0.583	37%	0.366	S	S	*	.	H	α-helix	trans	-63.1	-45	176	-174.2	175.7	-179	178.3	0	111.8	W288 I289 Y290 N296	W288-K292 WeakPolarHBondContact O-CB 3.49Å; W288-K292 PolarHBondContact O-N 3.5Å; W288-K292 VanDerWaalsContact O-N 3.11Å; I289-K292 PolarHBondContact O-N 3.11Å; Y290-K292 VanDerWaalsContact C-N 3.31Å; Y290-K292 PolarHBondContact O-N 3.4Å; K292-N296 WeakPolarHBondContact O-CB 3.39Å; K292-N296 VanDerWaalsContact O-CG 3.23Å; K292-N296 PolarHBondContact O-N 3.48Å; K292-N296 PolarHBondContact O-ND2 2.88Å
293	I	96.3	Very high	95.5	Very high	92 Å²	92	71.1 Å²	71.1	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-52.4	178.2	-68.4	168.9	0	0	0	110.3	L285 I289 Y290 M295 N296 M297	L285-I293 HydrophobicContact CD1-CD1 4.46Å; I289-I293 HydrophobicContact CG2-CD1 3.78Å; I289-I293 HydrophobicContact CG2-CG1 4.42Å; I289-I293 WeakPolarHBondContact O-CG1 3.4Å; I289-I293 PolarHBondContact O-N 3.14Å; Y290-I293 PolarHBondContact O-N 3.25Å; I293-M295 PolarHBondContact O-N 3.4Å; I293-N296 PolarHBondContact O-N 3.45Å; I293-M297 WeakPolarHBondContact O-CB 3.29Å; I293-M297 PolarHBondContact O-N 2.75Å
294	V	96.5	Very high	95.7	Very high	11 Å²	11	74.4 Å²	74.4	7%	0.067	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-42.6	-177.4	173.2	0	0	0	0	111.5	V196 Y290 N296 M297 N298	V196-V294 HydrophobicContact CB-CG1 4.41Å; V196-V294 HydrophobicContact CG1-CG1 3.69Å; Y290-V294 HydrophobicContact CD2-CG2 3.95Å; Y290-V294 HydrophobicContact CE1-CG2 4.13Å; Y290-V294 HydrophobicContact CE2-CG2 3.45Å; Y290-V294 VanDerWaalsContact CE2-CG2 3.45Å; Y290-V294 WeakPolarHBondContact O-CG2 3.31Å; Y290-V294 PolarHBondContact O-N 3.23Å; V294-N296 PolarHBondContact O-N 3.37Å; V294-M297 PolarHBondContact O-N 2.96Å; V294-N298 WeakPolarHBondContact O-CB 3.35Å; V294-N298 PolarHBondContact O-N 2.96Å
295	M	97.6	Very high	95.9	Very high	43 Å²	43	72 Å²	72	21%	0.212	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-45.1	177	-177.8	52.2	155.2	0	0	111.4	Y143 P197 L198 L291 I293 N298 K299	Y143-M295 HydrophobicContact CE1-CE 3.74Å; P197-M295 HydrophobicContact CB-CB 4.48Å; P197-M295 HydrophobicContact CB-SD 3.89Å; L198-M295 HydrophobicContact CD1-SD 3.92Å; L198-M295 HydrophobicContact CD2-CE 4.32Å; L198-M295 HydrophobicContact CD2-SD 4.36Å; L198-M295 HydrophobicContact CG-CE 4.47Å; L198-M295 HydrophobicContact CG-SD 3.88Å; L291-M295 WeakPolarHBondContact O-CB 3.3Å; L291-M295 PolarHBondContact O-N 3.44Å; I293-M295 PolarHBondContact O-N 3.4Å; M295-N298 PolarHBondContact O-N 3.35Å; M295-K299 HydrophobicContact CG-CD 4.42Å; M295-K299 WeakPolarHBondContact O-CB 3.47Å; M295-K299 VanDerWaalsContact O-CG 3.29Å; M295-K299 WeakPolarHBondContact O-CG 3.26Å; M295-K299 PolarHBondContact O-N 2.94Å; M295-K299 HydrophobicContact SD-CD 4.44Å; M295-K299 HydrophobicContact SD-CG 4.23Å
296	N	97.8	Very high	96	Very high	90 Å²	90	71.4 Å²	71.4	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-43	177.4	-73	-16.2	0	0	0	112.3	K292 I293 V294 K299 A300	K292-N296 WeakPolarHBondContact O-CB 3.39Å; K292-N296 VanDerWaalsContact O-CG 3.23Å; K292-N296 PolarHBondContact O-N 3.48Å; K292-N296 PolarHBondContact O-ND2 2.88Å; I293-N296 PolarHBondContact O-N 3.45Å; V294-N296 PolarHBondContact O-N 3.37Å; N296-K299 PolarHBondContact O-N 2.99Å; N296-A300 PolarHBondContact O-N 3.47Å
297	M	96.6	Very high	96	Very high	90 Å²	90	75 Å²	75	44%	0.443	38%	0.379	S	S	.	.	H	α-helix	trans	-59.2	-49.9	176.1	-176.6	-176.7	69.8	0	0	111.2	I293 V294 K299 A300 T301	I293-M297 WeakPolarHBondContact O-CB 3.29Å; I293-M297 PolarHBondContact O-N 2.75Å; V294-M297 PolarHBondContact O-N 2.96Å; M297-K299 PolarHBondContact O-N 3.38Å; M297-A300 WeakPolarHBondContact O-CB 3.45Å; M297-A300 PolarHBondContact O-N 2.65Å; M297-A300 VanDerWaalsContact O-N 3.16Å; M297-T301 PolarHBondContact O-N 3.16Å; M297-T301 PolarHBondContact O-OG1 3.02Å
298	N	97.5	Very high	95.9	Very high	8 Å²	8	77 Å²	77	4%	0.043	38%	0.377	C	S	.	.	H	α-helix	trans	-68.2	-35.5	-178.5	-75.3	-14.9	0	0	0	112.4	P141 V196 P197 L198 V294 M295 A300 T301 R302	P141-N298 HydrophobicContact CB-CB 3.76Å; P141-N298 HydrophobicContact CG-CB 4.09Å; V196-N298 WeakPolarHBondContact CG1-ND2 3.49Å; P197-N298 PolarHBondContact O-ND2 2.86Å; L198-N298 HydrophobicContact CB-CB 4.08Å; L198-N298 HydrophobicContact CD1-CB 3.76Å; L198-N298 HydrophobicContact CG-CB 4.32Å; V294-N298 WeakPolarHBondContact O-CB 3.35Å; V294-N298 PolarHBondContact O-N 2.96Å; M295-N298 PolarHBondContact O-N 3.35Å; N298-A300 VanDerWaalsContact C-N 3.32Å; N298-A300 PolarHBondContact O-N 3.49Å; N298-T301 PolarHBondContact O-N 2.89Å; N298-R302 VanDerWaalsContact O-CB 3.31Å; N298-R302 WeakPolarHBondContact O-CB 3.5Å; N298-R302 PolarHBondContact O-N 3.46Å
299	K	97.9	Very high	95.6	Very high	86 Å²	86	72.3 Å²	72.3	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-41.2	170.4	-77.8	-178.2	-176.5	-171.3	0	112.1	Y143 L198 M295 N296 M297 R302 A303	Y143-K299 VanDerWaalsContact OH-CE 3.23Å; Y143-K299 WeakPolarHBondContact OH-CE 3.39Å; L198-K299 HydrophobicContact CD1-CG 3.94Å; M295-K299 HydrophobicContact CG-CD 4.42Å; M295-K299 WeakPolarHBondContact O-CB 3.47Å; M295-K299 VanDerWaalsContact O-CG 3.29Å; M295-K299 WeakPolarHBondContact O-CG 3.26Å; M295-K299 PolarHBondContact O-N 2.94Å; M295-K299 HydrophobicContact SD-CD 4.44Å; M295-K299 HydrophobicContact SD-CG 4.23Å; N296-K299 PolarHBondContact O-N 2.99Å; M297-K299 PolarHBondContact O-N 3.38Å; K299-R302 PolarHBondContact O-N 2.98Å; K299-A303 WeakPolarHBondContact O-CB 3.23Å; K299-A303 PolarHBondContact O-N 3.43Å
300	A	97	Very high	95.1	Very high	61 Å²	61	78.7 Å²	78.7	50%	0.504	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-44.9	177.2	0	0	0	0	0	111.6	N296 M297 N298 R302 A303 H304	N296-A300 PolarHBondContact O-N 3.47Å; M297-A300 WeakPolarHBondContact O-CB 3.45Å; M297-A300 PolarHBondContact O-N 2.65Å; M297-A300 VanDerWaalsContact O-N 3.16Å; N298-A300 VanDerWaalsContact C-N 3.32Å; N298-A300 PolarHBondContact O-N 3.49Å; A300-R302 PolarHBondContact O-N 3.42Å; A300-A303 PolarHBondContact O-N 3.38Å; A300-H304 WeakPolarHBondContact O-CB 3.32Å; A300-H304 PolarHBondContact O-N 2.87Å
301	T	95.6	Very high	93.8	Very high	71 Å²	71	85 Å²	85	44%	0.436	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-44.9	174.8	-56.7	0	0	0	0	111.7	P141 M297 N298 H304 Y305	P141-T301 HydrophobicContact CG-CG2 4.01Å; M297-T301 PolarHBondContact O-N 3.16Å; M297-T301 PolarHBondContact O-OG1 3.02Å; N298-T301 PolarHBondContact O-N 2.89Å; T301-H304 PolarHBondContact O-N 2.98Å; T301-Y305 PolarHBondContact O-N 2.95Å
302	R	96.5	Very high	92	Very high	60 Å²	60	90.7 Å²	90.7	23%	0.226	45%	0.451	C	S	.	.	H	α-helix	trans	-57.8	-51.9	174.5	-179	-176.8	-178.1	-97.2	3	111.8	Y140 P141 E142 N298 K299 A300 H304 Y305 L306	Y140-R302 HydrophobicContact CD2-CG 4.18Å; Y140-R302 HydrophobicContact CE2-CG 4.35Å; P141-R302 VanDerWaalsContact O-CB 3.3Å; P141-R302 WeakPolarHBondContact O-CB 3.48Å; P141-R302 WeakPolarHBondContact O-CD 3.45Å; P141-R302 VanDerWaalsContact O-CG 3.26Å; P141-R302 WeakPolarHBondContact O-CG 3.28Å; E142-R302 VanDerWaalsContact CD-NH2 3.34Å; E142-R302 IonicContact OE1-CZ 3.21Å; E142-R302 IonicContact OE1-NE 2.69Å; E142-R302 PolarHBondContact OE1-NE 3.15Å; E142-R302 IonicContact OE1-NH2 2.78Å; E142-R302 PolarHBondContact OE1-NH2 3.48Å; E142-R302 IonicContact OE2-CZ 3.33Å; E142-R302 IonicContact OE2-NE 2.95Å; E142-R302 PolarHBondContact OE2-NE 3.34Å; E142-R302 IonicContact OE2-NH2 2.91Å; E142-R302 PolarHBondContact OE2-NH2 2.69Å; N298-R302 VanDerWaalsContact O-CB 3.31Å; N298-R302 WeakPolarHBondContact O-CB 3.5Å; N298-R302 PolarHBondContact O-N 3.46Å; K299-R302 PolarHBondContact O-N 2.98Å; A300-R302 PolarHBondContact O-N 3.42Å; R302-H304 VanDerWaalsContact C-N 3.29Å; R302-H304 PolarHBondContact O-N 3.16Å; R302-Y305 WeakPolarHBondContact O-CB 3.42Å; R302-Y305 PolarHBondContact O-N 3.04Å; R302-Y305 VanDerWaalsContact O-N 3.16Å; R302-L306 HydrophobicContact CG-CD1 4Å; R302-L306 HydrophobicContact CG-CG 4.41Å; R302-L306 WeakPolarHBondContact O-CG 3.49Å; R302-L306 PolarHBondContact O-N 3.27Å
303	A	96.5	Very high	91.7	Very high	59 Å²	59	88.5 Å²	88.5	49%	0.488	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-40.5	-179.6	0	0	0	0	0	112	K299 A300 K307	K299-A303 WeakPolarHBondContact O-CB 3.23Å; K299-A303 PolarHBondContact O-N 3.43Å; A300-A303 PolarHBondContact O-N 3.38Å; A303-K307 WeakPolarHBondContact O-CB 3.31Å; A303-K307 PolarHBondContact O-N 2.95Å
304	H	94.4	Very high	91.5	Very high	134 Å²	134	88.3 Å²	88.3	62%	0.62	44%	0.443	S	S	*	.	H	α-helix	trans	-62.2	-45.8	175	-178.4	79.7	0	0	0	112	A300 T301 R302 K307 K308	A300-H304 WeakPolarHBondContact O-CB 3.32Å; A300-H304 PolarHBondContact O-N 2.87Å; T301-H304 PolarHBondContact O-N 2.98Å; R302-H304 VanDerWaalsContact C-N 3.29Å; R302-H304 PolarHBondContact O-N 3.16Å; H304-K307 PolarHBondContact O-N 3.45Å; H304-K308 PolarHBondContact O-N 3.35Å; H304-K308 VanDerWaalsContact O-N 3.13Å
305	Y	94.2	Very high	91.2	Very high	53 Å²	53	92.6 Å²	92.6	21%	0.208	46%	0.464	C	S	.	.	H	α-helix	trans	-60	-53.7	177.6	-178.4	-95.6	0	0	0	111.6	E139 Y140 T301 R302 K307 K308 T309	E139-Y305 HydrophobicContact CG-CE2 4.24Å; E139-Y305 PolarHBondContact OE1-OH 3.07Å; E139-Y305 PolarHBondContact OE2-OH 3.27Å; Y140-Y305 AromaticContact CD1-CD1 3.36Å; Y140-Y305 HydrophobicContact CD1-CD1 3.36Å; Y140-Y305 HydrophobicContact CD1-CD2 4.49Å; Y140-Y305 AromaticContact CD1-CE1 3.14Å; Y140-Y305 HydrophobicContact CD1-CE1 3.14Å; Y140-Y305 HydrophobicContact CD1-CE2 4.33Å; Y140-Y305 HydrophobicContact CD1-CG 4.06Å; Y140-Y305 AromaticContact CD1-CZ 3.68Å; Y140-Y305 AromaticContact CD2-CD1 3.73Å; Y140-Y305 HydrophobicContact CD2-CD1 3.73Å; Y140-Y305 HydrophobicContact CD2-CE1 4.31Å; Y140-Y305 HydrophobicContact CD2-CG 4.31Å; Y140-Y305 AromaticContact CE1-CD1 3.8Å; Y140-Y305 HydrophobicContact CE1-CD1 3.8Å; Y140-Y305 AromaticContact CE1-CE1 3.36Å; Y140-Y305 HydrophobicContact CE1-CE1 3.36Å; Y140-Y305 HydrophobicContact CE2-CD1 4.1Å; Y140-Y305 HydrophobicContact CE2-CE1 4.45Å; Y140-Y305 AromaticContact CG-CD1 3.34Å; Y140-Y305 HydrophobicContact CG-CD1 3.34Å; Y140-Y305 HydrophobicContact CG-CD2 4.42Å; Y140-Y305 AromaticContact CG-CE1 3.69Å; Y140-Y305 HydrophobicContact CG-CE1 3.69Å; Y140-Y305 AromaticContact CG-CG 3.76Å; Y140-Y305 HydrophobicContact CG-CG 3.76Å; T301-Y305 PolarHBondContact O-N 2.95Å; R302-Y305 WeakPolarHBondContact O-CB 3.42Å; R302-Y305 PolarHBondContact O-N 3.04Å; R302-Y305 VanDerWaalsContact O-N 3.16Å; Y305-K307 VanDerWaalsContact C-N 3.28Å; Y305-K307 PolarHBondContact O-N 3.12Å; Y305-K308 WeakPolarHBondContact O-CA 3.34Å; Y305-K308 WeakPolarHBondContact O-CB 3.4Å; Y305-K308 PolarHBondContact O-N 2.98Å; Y305-T309 PolarHBondContact O-N 2.98Å; Y305-T309 PolarHBondContact O-OG1 3.43Å; Y305-T309 VanDerWaalsContact O-OG1 3.12Å
306	L	93.9	Very high	90.8	Very high	50 Å²	50	95.5 Å²	95.5	26%	0.262	48%	0.479	S	S	.	.	H	α-helix	trans	-60.3	-36.6	-179.3	-65.8	176.6	0	0	0	112.6	Y140 R302 K308 T309 K310	Y140-L306 HydrophobicContact CE2-CD2 4.19Å; R302-L306 HydrophobicContact CG-CD1 4Å; R302-L306 HydrophobicContact CG-CG 4.41Å; R302-L306 WeakPolarHBondContact O-CG 3.49Å; R302-L306 PolarHBondContact O-N 3.27Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K308 PolarHBondContact O-N 3.13Å; L306-T309 PolarHBondContact O-N 3.08Å; L306-K310 WeakPolarHBondContact O-CG 3.39Å; L306-K310 PolarHBondContact O-N 3.46Å; L306-K310 VanDerWaalsContact O-N 3.08Å
307	K	94.1	Very high	90.4	Very high	139 Å²	139	95.9 Å²	95.9	60%	0.604	48%	0.479	S	S	*	.	H	α-helix	trans	-65.1	-35.4	174.9	-175.4	175.5	-178.4	175.9	0	112.2	A303 H304 Y305 K311	A303-K307 WeakPolarHBondContact O-CB 3.31Å; A303-K307 PolarHBondContact O-N 2.95Å; H304-K307 PolarHBondContact O-N 3.45Å; Y305-K307 VanDerWaalsContact C-N 3.28Å; Y305-K307 PolarHBondContact O-N 3.12Å; K307-K311 WeakPolarHBondContact O-CG 3.4Å
308	K	91.8	Very high	90	Very high	129 Å²	129	96.3 Å²	96.3	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-71.9	-42.6	177.4	-172.2	179.8	178	-177.8	0	111.1	H304 Y305 L306 K310 K311	H304-K308 PolarHBondContact O-N 3.35Å; H304-K308 VanDerWaalsContact O-N 3.13Å; Y305-K308 WeakPolarHBondContact O-CA 3.34Å; Y305-K308 WeakPolarHBondContact O-CB 3.4Å; Y305-K308 PolarHBondContact O-N 2.98Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K308 PolarHBondContact O-N 3.13Å; K308-K310 PolarHBondContact O-N 3.49Å; K308-K311 PolarHBondContact O-N 3.23Å
309	T	89.3	Confident	89.4	Confident	69 Å²	69	102.6 Å²	102.6	42%	0.423	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-35.2	-179.8	-46.6	0	0	0	0	112.4	Y305 L306 K311 N312	Y305-T309 PolarHBondContact O-N 2.98Å; Y305-T309 PolarHBondContact O-OG1 3.43Å; Y305-T309 VanDerWaalsContact O-OG1 3.12Å; L306-T309 PolarHBondContact O-N 3.08Å; T309-K311 PolarHBondContact O-N 3.5Å; T309-N312 PolarHBondContact O-N 3.31Å; T309-N312 VanDerWaalsContact O-OXT 3.09Å
310	K	84.6	Confident	88.8	Confident	185 Å²	185	103.8 Å²	103.8	80%	0.804	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.1	175	-73.7	-177.1	178.9	-171	0	114.7	L306 K308	L306-K310 WeakPolarHBondContact O-CG 3.39Å; L306-K310 PolarHBondContact O-N 3.46Å; L306-K310 VanDerWaalsContact O-N 3.08Å; K308-K310 PolarHBondContact O-N 3.49Å
311	K	68.5	Low	88.1	Confident	158 Å²	158	107.4 Å²	107.4	69%	0.687	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-12.2	-179.2	-77.1	-176.7	172.2	-157.9	0	113.2	K307 K308 T309	K307-K311 WeakPolarHBondContact O-CG 3.4Å; K308-K311 PolarHBondContact O-N 3.23Å; T309-K311 PolarHBondContact O-N 3.5Å
312	N	57.4	Low	87.4	Confident	182 Å²	182	110.7 Å²	110.7	97%	0.973	53%	0.532	S	S	*	.			trans	-106.2	0	178.5	-68.4	-5.5	0	0	0	109.1	T309	T309-N312 PolarHBondContact O-N 3.31Å; T309-N312 VanDerWaalsContact O-OXT 3.09Å

Retrieved 312 of 312 residues in 749.2 ms (Link to these results)

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