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Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

Glycosyltransferase that generates the core 1 O-glycan Gal-beta1-3GalNAc-alpha1-Ser/Thr (T antigen), which is a precursor for many extended O-glycans in glycoproteins¹. Plays a central role in many processes, such as angiogenesis, thrombopoiesis and kidney homeostasis development (By similarity).

AlphaFold DB , UniProt , Accession Q9NS00, Species HUMAN (Homo sapiens, Human), Gene C1GALT1, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.5	Low	78.6	Confident	236 Å²	236	125.5 Å²	125.5	100%	1.163	66%	0.664	S	S	*	*				0	-9.9	0	-78.6	-176.7	-120.3	0	0	114.6
2	A	61.1	Low	79.8	Confident	87 Å²	87	126.3 Å²	126.3	72%	0.719	66%	0.658	S	S	*	*	H	α-helix	trans	-73.3	-25.1	-175.7	0	0	0	0	0	116.2	S5 W6	A2-S5 PolarHBondContact O-N 3.4Å; A2-W6 PolarHBondContact O-N 3.48Å
3	S	69.8	Low	80.8	Confident	97 Å²	97	122.7 Å²	122.7	68%	0.678	64%	0.64	S	S	*	*	H	α-helix	trans	-70.7	-36.5	-171.6	68.3	0	0	0	0	114.5	S5 W6 L7	S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.43Å; S3-W6 PolarHBondContact O-N 3.47Å; S3-L7 PolarHBondContact O-N 2.95Å; S3-L7 VanDerWaalsContact O-N 3.16Å
4	K	74.2	Confident	81.7	Confident	169 Å²	169	118.9 Å²	118.9	74%	0.735	63%	0.627	S	S	*	*	H	α-helix	trans	-66.8	-35.1	179.2	-76.5	-173.6	176.7	-177.3	0	112.4	N8	K4-N8 VanDerWaalsContact O-CG 3.27Å; K4-N8 PolarHBondContact O-N 3.03Å
5	S	82.5	Confident	82.6	Confident	85 Å²	85	113.8 Å²	113.8	59%	0.594	62%	0.615	S	S	*	*	H	α-helix	trans	-68.3	-41.7	178	174.3	0	0	0	0	111.5	A2 S3 N8 F9	A2-S5 PolarHBondContact O-N 3.4Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.43Å; S5-N8 PolarHBondContact O-N 3.38Å; S5-F9 PolarHBondContact O-N 3.16Å
6	W	83	Confident	83.4	Confident	185 Å²	185	110.3 Å²	110.3	70%	0.701	60%	0.602	S	S	*	*	H	α-helix	trans	-63.9	-41.8	177	-168.1	-77.2	0	0	0	112.3	A2 S3 N8 F9 L10	A2-W6 PolarHBondContact O-N 3.48Å; S3-W6 PolarHBondContact O-N 3.47Å; W6-N8 PolarHBondContact O-N 3.18Å; W6-F9 PolarHBondContact O-N 3.28Å; W6-L10 WeakPolarHBondContact O-CB 3.41Å; W6-L10 PolarHBondContact O-N 3.48Å
7	L	84.8	Confident	84	Confident	111 Å²	111	107 Å²	107	58%	0.581	59%	0.593	S	S	*	*	H	α-helix	trans	-62.9	-42.4	178.3	-155.5	79.1	0	0	0	111.6	S3 F9 L10 T11	S3-L7 PolarHBondContact O-N 2.95Å; S3-L7 VanDerWaalsContact O-N 3.16Å; L7-F9 VanDerWaalsContact C-N 3.34Å; L7-F9 PolarHBondContact O-N 3.39Å; L7-L10 PolarHBondContact O-N 3.5Å; L7-T11 WeakPolarHBondContact O-CG2 3.49Å; L7-T11 PolarHBondContact O-N 3.33Å; L7-T11 PolarHBondContact O-OG1 2.92Å
8	N	87.3	Confident	84.6	Confident	109 Å²	109	106.7 Å²	106.7	58%	0.583	59%	0.589	S	S	*	*	H	α-helix	trans	-65.7	-36	176.7	-70.3	-7.8	0	0	0	112.8	K4 S5 W6 T11 F12	K4-N8 VanDerWaalsContact O-CG 3.27Å; K4-N8 PolarHBondContact O-N 3.03Å; S5-N8 PolarHBondContact O-N 3.38Å; W6-N8 PolarHBondContact O-N 3.18Å; N8-T11 WeakPolarHBondContact CA-OG1 3.41Å; N8-T11 PolarHBondContact O-OG1 3.45Å; N8-F12 WeakPolarHBondContact O-CB 3.48Å; N8-F12 PolarHBondContact O-N 2.97Å; N8-F12 VanDerWaalsContact O-N 3.07Å
9	F	89.3	Confident	85.2	Confident	124 Å²	124	102.8 Å²	102.8	54%	0.544	58%	0.575	S	S	.	*	H	α-helix	trans	-68.5	-41.3	175.6	-174.2	-109.6	0	0	0	111.3	S5 W6 L7 F12 L13	S5-F9 PolarHBondContact O-N 3.16Å; W6-F9 PolarHBondContact O-N 3.28Å; L7-F9 VanDerWaalsContact C-N 3.34Å; L7-F9 PolarHBondContact O-N 3.39Å; F9-F12 PolarHBondContact O-N 2.96Å; F9-L13 HydrophobicContact CD1-CD1 3.82Å; F9-L13 HydrophobicContact CD1-CG 4.42Å; F9-L13 HydrophobicContact CE1-CD1 3.39Å; F9-L13 HydrophobicContact CE1-CG 4.12Å; F9-L13 HydrophobicContact CZ-CD1 3.84Å; F9-L13 HydrophobicContact CZ-CD2 4.33Å; F9-L13 HydrophobicContact CZ-CG 4.18Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.19Å
10	L	89.6	Confident	85.7	Confident	89 Å²	89	105.1 Å²	105.1	47%	0.466	58%	0.579	S	S	.	*	H	α-helix	trans	-64.2	-43.4	176.7	-159.8	82.8	0	0	0	111.8	W6 L7 L13 C14	W6-L10 WeakPolarHBondContact O-CB 3.41Å; W6-L10 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.13Å; L10-C14 WeakPolarHBondContact O-CB 3.37Å; L10-C14 PolarHBondContact O-N 3.19Å; L10-C14 PolarHBondContact O-SG 3.07Å; L10-C14 VanDerWaalsContact O-SG 3.4Å
11	T	89.7	Confident	86.1	Confident	88 Å²	88	105 Å²	105	54%	0.54	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-38.1	177.1	52.6	0	0	0	0	112.1	L7 N8 G15	L7-T11 WeakPolarHBondContact O-CG2 3.49Å; L7-T11 PolarHBondContact O-N 3.33Å; L7-T11 PolarHBondContact O-OG1 2.92Å; N8-T11 WeakPolarHBondContact CA-OG1 3.41Å; N8-T11 PolarHBondContact O-OG1 3.45Å; T11-G15 PolarHBondContact O-N 2.96Å
12	F	92.3	Very high	88	Confident	135 Å²	135	98.9 Å²	98.9	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-61.1	-49.2	172.4	178.1	-97.8	0	0	0	111.5	N8 F9 C14 G15 S16	N8-F12 WeakPolarHBondContact O-CB 3.48Å; N8-F12 PolarHBondContact O-N 2.97Å; N8-F12 VanDerWaalsContact O-N 3.07Å; F9-F12 PolarHBondContact O-N 2.96Å; F12-C14 PolarHBondContact O-N 2.91Å; F12-G15 PolarHBondContact O-N 3.34Å; F12-S16 PolarHBondContact O-N 3.4Å; F12-S16 PolarHBondContact O-OG 2.94Å; F12-S16 VanDerWaalsContact O-OG 3.13Å
13	L	93.7	Very high	89.4	Confident	80 Å²	80	98.3 Å²	98.3	42%	0.419	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-43.3	178.2	-73.4	177.8	0	0	0	112.5	F9 L10 S16 A17	F9-L13 HydrophobicContact CD1-CD1 3.82Å; F9-L13 HydrophobicContact CD1-CG 4.42Å; F9-L13 HydrophobicContact CE1-CD1 3.39Å; F9-L13 HydrophobicContact CE1-CG 4.12Å; F9-L13 HydrophobicContact CZ-CD1 3.84Å; F9-L13 HydrophobicContact CZ-CD2 4.33Å; F9-L13 HydrophobicContact CZ-CG 4.18Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.13Å; L13-S16 PolarHBondContact O-N 2.84Å; L13-A17 WeakPolarHBondContact O-CB 3.26Å; L13-A17 PolarHBondContact O-N 3.36Å
14	C	93.2	Very high	90.3	Very high	69 Å²	69	95.8 Å²	95.8	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-44.2	174.3	-74	0	0	0	0	111.4	L10 F12 A17 I18	L10-C14 WeakPolarHBondContact O-CB 3.37Å; L10-C14 PolarHBondContact O-N 3.19Å; L10-C14 PolarHBondContact O-SG 3.07Å; L10-C14 VanDerWaalsContact O-SG 3.4Å; F12-C14 PolarHBondContact O-N 2.91Å; C14-A17 PolarHBondContact O-N 3.39Å; C14-I18 VanDerWaalsContact O-CG1 3.26Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 3.02Å
15	G	94.9	Very high	90.9	Very high	43 Å²	43	93.8 Å²	93.8	44%	0.443	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-44.4	176.1	0	0	0	0	0	112.8	T11 F12 I18 G19	T11-G15 PolarHBondContact O-N 2.96Å; F12-G15 PolarHBondContact O-N 3.34Å; G15-I18 PolarHBondContact O-N 3.37Å; G15-G19 PolarHBondContact O-N 3.36Å
16	S	94.9	Very high	91.2	Very high	58 Å²	58	94.8 Å²	94.8	41%	0.406	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-40.7	176.1	-61	0	0	0	0	112.5	F12 L13 G19 F20	F12-S16 PolarHBondContact O-N 3.4Å; F12-S16 PolarHBondContact O-OG 2.94Å; F12-S16 VanDerWaalsContact O-OG 3.13Å; L13-S16 PolarHBondContact O-N 2.84Å; S16-G19 PolarHBondContact O-N 2.99Å; S16-F20 WeakPolarHBondContact O-CB 3.41Å; S16-F20 PolarHBondContact O-N 3.48Å
17	A	95	Very high	91.3	Very high	54 Å²	54	92 Å²	92	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-44.5	177.6	0	0	0	0	0	112	L13 C14 F20 L21	L13-A17 WeakPolarHBondContact O-CB 3.26Å; L13-A17 PolarHBondContact O-N 3.36Å; C14-A17 PolarHBondContact O-N 3.39Å; A17-F20 PolarHBondContact O-N 2.9Å; A17-L21 WeakPolarHBondContact O-CG 3.34Å; A17-L21 PolarHBondContact O-N 3.43Å
18	I	94.7	Very high	91.2	Very high	101 Å²	101	89.3 Å²	89.3	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-45	175.1	-66.6	165	0	0	0	110.3	C14 G15 F20 L21 L22	C14-I18 VanDerWaalsContact O-CG1 3.26Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 3.02Å; G15-I18 PolarHBondContact O-N 3.37Å; I18-F20 VanDerWaalsContact C-N 3.34Å; I18-F20 PolarHBondContact O-N 3.45Å; I18-L21 PolarHBondContact O-N 2.93Å; I18-L22 HydrophobicContact CG2-CD1 3.89Å; I18-L22 HydrophobicContact CG2-CG 4.34Å; I18-L22 WeakPolarHBondContact O-CG 3.33Å; I18-L22 PolarHBondContact O-N 3.28Å
19	G	95.3	Very high	90.9	Very high	33 Å²	33	90.6 Å²	90.6	34%	0.34	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176.8	0	0	0	0	0	112.6	G15 S16 L22 C23	G15-G19 PolarHBondContact O-N 3.36Å; S16-G19 PolarHBondContact O-N 2.99Å; G19-L22 PolarHBondContact O-N 2.8Å; G19-C23 WeakPolarHBondContact O-CB 3.46Å; G19-C23 PolarHBondContact O-N 3.38Å
20	F	95.3	Very high	90.5	Very high	149 Å²	149	91 Å²	91	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-44.3	175.9	-177.7	-95	0	0	0	112.2	S16 A17 I18 C23 S24	S16-F20 WeakPolarHBondContact O-CB 3.41Å; S16-F20 PolarHBondContact O-N 3.48Å; A17-F20 PolarHBondContact O-N 2.9Å; I18-F20 VanDerWaalsContact C-N 3.34Å; I18-F20 PolarHBondContact O-N 3.45Å; F20-C23 PolarHBondContact O-N 2.91Å; F20-S24 WeakPolarHBondContact O-CB 3.43Å; F20-S24 PolarHBondContact O-N 3.49Å; F20-S24 PolarHBondContact O-OG 2.9Å
21	L	93.4	Very high	89.7	Confident	104 Å²	104	92.9 Å²	92.9	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-65.4	-41.8	178.6	-71.2	169.9	0	0	0	112.4	A17 I18 S24 Q25	A17-L21 WeakPolarHBondContact O-CG 3.34Å; A17-L21 PolarHBondContact O-N 3.43Å; I18-L21 PolarHBondContact O-N 2.93Å; L21-S24 WeakPolarHBondContact CA-OG 3.36Å; L21-S24 PolarHBondContact O-N 2.82Å; L21-S24 PolarHBondContact O-OG 2.86Å; L21-Q25 WeakPolarHBondContact O-CB 3.37Å; L21-Q25 WeakPolarHBondContact O-CG 3.44Å; L21-Q25 PolarHBondContact O-N 2.78Å
22	L	93.2	Very high	88.3	Confident	107 Å²	107	90.5 Å²	90.5	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-44.5	175.2	-71.4	173.1	0	0	0	110.9	I18 G19 Q25 L26	I18-L22 HydrophobicContact CG2-CD1 3.89Å; I18-L22 HydrophobicContact CG2-CG 4.34Å; I18-L22 WeakPolarHBondContact O-CG 3.33Å; I18-L22 PolarHBondContact O-N 3.28Å; G19-L22 PolarHBondContact O-N 2.8Å; L22-Q25 PolarHBondContact O-N 3.33Å; L22-L26 WeakPolarHBondContact O-CB 3.21Å; L22-L26 PolarHBondContact O-N 3.42Å
23	C	92.4	Very high	86.2	Confident	75 Å²	75	92 Å²	92	51%	0.507	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-43.7	174.2	-87.7	0	0	0	0	111.8	G19 F20 L26 F27	G19-C23 WeakPolarHBondContact O-CB 3.46Å; G19-C23 PolarHBondContact O-N 3.38Å; F20-C23 PolarHBondContact O-N 2.91Å; C23-L26 PolarHBondContact O-N 2.92Å; C23-F27 WeakPolarHBondContact O-CB 3.19Å; C23-F27 WeakPolarHBondContact O-CD2 3.22Å; C23-F27 PolarHBondContact O-N 2.92Å
24	S	88	Confident	84.2	Confident	44 Å²	44	96.4 Å²	96.4	31%	0.308	54%	0.536	S	S	.	.	H	α-helix	trans	-65	-41.6	179.1	67.4	0	0	0	0	111.5	F20 L21 F27 S28	F20-S24 WeakPolarHBondContact O-CB 3.43Å; F20-S24 PolarHBondContact O-N 3.49Å; F20-S24 PolarHBondContact O-OG 2.9Å; L21-S24 WeakPolarHBondContact CA-OG 3.36Å; L21-S24 PolarHBondContact O-N 2.82Å; L21-S24 PolarHBondContact O-OG 2.86Å; S24-F27 PolarHBondContact O-N 3.41Å; S24-S28 PolarHBondContact O-N 3.4Å; S24-S28 PolarHBondContact O-OG 3.37Å; S24-S28 VanDerWaalsContact O-OG 3.1Å
25	Q	87	Confident	82.2	Confident	126 Å²	126	98.3 Å²	98.3	59%	0.589	55%	0.546	S	S	*	.	H	α-helix	trans	-65.3	-42.4	174.9	-76.6	-163.2	-37.6	0	0	111.9	L21 L22 F27 S28 I29	L21-Q25 WeakPolarHBondContact O-CB 3.37Å; L21-Q25 WeakPolarHBondContact O-CG 3.44Å; L21-Q25 PolarHBondContact O-N 2.78Å; L22-Q25 PolarHBondContact O-N 3.33Å; Q25-F27 VanDerWaalsContact C-N 3.32Å; Q25-F27 PolarHBondContact O-N 3.1Å; Q25-S28 PolarHBondContact O-N 2.83Å; Q25-I29 WeakPolarHBondContact O-CB 3.45Å; Q25-I29 VanDerWaalsContact O-CG1 3.22Å; Q25-I29 WeakPolarHBondContact O-CG1 3.46Å; Q25-I29 PolarHBondContact O-N 3.21Å
26	L	87.8	Confident	80.1	Confident	106 Å²	106	101.7 Å²	101.7	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-66.8	-36.5	178.2	-154.4	133.9	0	0	0	110.9	L22 C23 I29 L30	L22-L26 WeakPolarHBondContact O-CB 3.21Å; L22-L26 PolarHBondContact O-N 3.42Å; C23-L26 PolarHBondContact O-N 2.92Å; L26-I29 PolarHBondContact O-N 2.83Å; L26-L30 HydrophobicContact CD2-CD1 3.55Å; L26-L30 HydrophobicContact CD2-CG 4.17Å; L26-L30 VanDerWaalsContact O-CB 3.23Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 WeakPolarHBondContact O-CG 3.12Å; L26-L30 PolarHBondContact O-N 3.47Å
27	F	85.8	Confident	78.1	Confident	127 Å²	127	104.1 Å²	104.1	56%	0.557	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-44.6	169.1	-96.7	-76	0	0	0	112	C23 S24 Q25 I29 L30 L31	C23-F27 WeakPolarHBondContact O-CB 3.19Å; C23-F27 WeakPolarHBondContact O-CD2 3.22Å; C23-F27 PolarHBondContact O-N 2.92Å; S24-F27 PolarHBondContact O-N 3.41Å; Q25-F27 VanDerWaalsContact C-N 3.32Å; Q25-F27 PolarHBondContact O-N 3.1Å; F27-I29 VanDerWaalsContact C-N 3.31Å; F27-I29 PolarHBondContact O-N 3.44Å; F27-L30 PolarHBondContact O-N 2.76Å; F27-L31 HydrophobicContact CB-CD1 4.35Å; F27-L31 HydrophobicContact CD1-CD1 3.87Å; F27-L31 HydrophobicContact CD1-CG 4.29Å; F27-L31 WeakPolarHBondContact O-CB 3.2Å; F27-L31 WeakPolarHBondContact O-CG 3.23Å; F27-L31 PolarHBondContact O-N 3.49Å
28	S	82	Confident	76.1	Confident	55 Å²	55	108 Å²	108	39%	0.385	58%	0.575	S	S	.	*	H	α-helix	trans	-63.1	-36.9	175.8	-65.1	0	0	0	0	112.3	S24 Q25 G32 E33	S24-S28 PolarHBondContact O-N 3.4Å; S24-S28 PolarHBondContact O-OG 3.37Å; S24-S28 VanDerWaalsContact O-OG 3.1Å; Q25-S28 PolarHBondContact O-N 2.83Å; S28-G32 CarbonylContact O-C 3.49Å; S28-G32 VanDerWaalsContact O-CA 3.26Å; S28-G32 WeakPolarHBondContact O-CA 3.26Å; S28-G32 PolarHBondContact O-N 3.35Å; S28-E33 PolarHBondContact O-N 2.97Å
29	I	81.6	Confident	74.4	Confident	136 Å²	136	106.3 Å²	106.3	70%	0.697	57%	0.57	S	S	*	*	H	α-helix	trans	-69.8	-46.8	175.2	-67.9	163.9	0	0	0	110.6	Q25 L26 F27 G32	Q25-I29 WeakPolarHBondContact O-CB 3.45Å; Q25-I29 VanDerWaalsContact O-CG1 3.22Å; Q25-I29 WeakPolarHBondContact O-CG1 3.46Å; Q25-I29 PolarHBondContact O-N 3.21Å; L26-I29 PolarHBondContact O-N 2.83Å; F27-I29 VanDerWaalsContact C-N 3.31Å; F27-I29 PolarHBondContact O-N 3.44Å; I29-G32 PolarHBondContact O-N 2.71Å
30	L	80.6	Confident	72.6	Confident	132 Å²	132	113.2 Å²	113.2	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-67.6	-40.6	179.9	-77.2	174.7	0	0	0	112.7	L26 F27	L26-L30 HydrophobicContact CD2-CD1 3.55Å; L26-L30 HydrophobicContact CD2-CG 4.17Å; L26-L30 VanDerWaalsContact O-CB 3.23Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 WeakPolarHBondContact O-CG 3.12Å; L26-L30 PolarHBondContact O-N 3.47Å; F27-L30 PolarHBondContact O-N 2.76Å
31	L	73.6	Confident	70.8	Confident	128 Å²	128	107.8 Å²	107.8	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-76.4	-18.9	177.4	-67.8	168.5	0	0	0	111.6	F27	F27-L31 HydrophobicContact CB-CD1 4.35Å; F27-L31 HydrophobicContact CD1-CD1 3.87Å; F27-L31 HydrophobicContact CD1-CG 4.29Å; F27-L31 WeakPolarHBondContact O-CB 3.2Å; F27-L31 WeakPolarHBondContact O-CG 3.23Å; F27-L31 PolarHBondContact O-N 3.49Å
32	G	59.9	Low	68.8	Low	39 Å²	39	109.6 Å²	109.6	40%	0.402	59%	0.588	S	S	.	*			trans	62.9	122.5	-169.7	0	0	0	0	0	110	S28 I29 K34	S28-G32 CarbonylContact O-C 3.49Å; S28-G32 VanDerWaalsContact O-CA 3.26Å; S28-G32 WeakPolarHBondContact O-CA 3.26Å; S28-G32 PolarHBondContact O-N 3.35Å; I29-G32 PolarHBondContact O-N 2.71Å; G32-K34 PolarHBondContact O-N 3.31Å
33	E	48.4	Very low	66.8	Low	165 Å²	165	109.6 Å²	109.6	77%	0.771	59%	0.585	S	S	*	*			trans	-60.6	91.5	156.5	-81.3	-176.6	160.4	0	0	107.1	S28 V35	S28-E33 PolarHBondContact O-N 2.97Å; E33-V35 PolarHBondContact O-N 3.1Å
34	K	51.9	Low	65	Low	173 Å²	173	109.1 Å²	109.1	75%	0.752	58%	0.577	S	S	*	*			trans	-59.8	97.5	155.5	-74.2	179.6	-179.5	174.1	0	103.7	G32 D36	G32-K34 PolarHBondContact O-N 3.31Å; K34-D36 VanDerWaalsContact C-N 3.28Å; K34-D36 PolarHBondContact O-N 2.87Å
35	V	50.9	Low	63.6	Low	109 Å²	109	110.4 Å²	110.4	66%	0.661	58%	0.581	S	S	*	*			trans	-50.9	105.1	164.7	176.3	0	0	0	0	104.9	E33 T37	E33-V35 PolarHBondContact O-N 3.1Å; V35-T37 HydrophobicContact CG1-CG2 4.33Å; V35-T37 PolarHBondContact O-N 2.87Å; V35-T37 PolarHBondContact O-OG1 3.06Å
36	D	50.1	Low	62.2	Low	114 Å²	114	105.1 Å²	105.1	61%	0.61	56%	0.557	S	S	*	*			trans	-80.5	69.6	180	-150.5	19	0	0	0	106	K34 Q38	K34-D36 VanDerWaalsContact C-N 3.28Å; K34-D36 PolarHBondContact O-N 2.87Å; D36-Q38 PolarHBondContact O-N 3.43Å
37	T	53.4	Low	60.9	Low	110 Å²	110	102.7 Å²	102.7	68%	0.675	54%	0.543	S	S	*	.			trans	-68.6	91.7	167.7	5.8	0	0	0	0	105.9	V35 P39	V35-T37 HydrophobicContact CG1-CG2 4.33Å; V35-T37 PolarHBondContact O-N 2.87Å; V35-T37 PolarHBondContact O-OG1 3.06Å; T37-P39 WeakPolarHBondContact O-CD 3.14Å
38	Q	53.5	Low	59.1	Low	136 Å²	136	98.5 Å²	98.5	64%	0.636	53%	0.532	S	S	*	.			trans	-73.9	112.2	161.7	-70.6	-163.2	-14.6	0	0	107.2	D36	D36-Q38 PolarHBondContact O-N 3.43Å
39	P	58.3	Low	57.3	Low	64 Å²	64	104.3 Å²	104.3	42%	0.416	55%	0.545	S	S	.	.			trans	-61.7	144.2	171.5	20.8	-25.3	0	0	0	109.8	T37 V41 I276 K277	T37-P39 WeakPolarHBondContact O-CD 3.14Å; P39-V41 VanDerWaalsContact C-N 3.26Å; P39-V41 HydrophobicContact CB-CG2 3.85Å; P39-V41 HydrophobicContact CG-CG2 3.66Å; P39-V41 PolarHBondContact O-N 2.84Å; P39-I276 HydrophobicContact CG-CG2 3.72Å; P39-K277 WeakPolarHBondContact CD-O 3.45Å
40	N	57.1	Low	55.8	Low	179 Å²	179	99.6 Å²	99.6	96%	0.957	52%	0.52	S	S	*	.			trans	-69.4	89.2	163.9	-89.4	-29.7	0	0	0	107.8
41	V	57.5	Low	54.1	Low	35 Å²	35	96.2 Å²	96.2	21%	0.212	51%	0.508	C	S	.	.			trans	-91.7	129.2	178.4	-174.8	0	0	0	0	109.2	P39 H43 I276 Y279	P39-V41 VanDerWaalsContact C-N 3.26Å; P39-V41 HydrophobicContact CB-CG2 3.85Å; P39-V41 HydrophobicContact CG-CG2 3.66Å; P39-V41 PolarHBondContact O-N 2.84Å; V41-H43 PolarHBondContact O-N 3.16Å; V41-I276 HydrophobicContact CG2-CG2 4.12Å; V41-Y279 HydrophobicContact CG1-CD1 4.34Å; V41-Y279 HydrophobicContact CG1-CD2 3.55Å; V41-Y279 HydrophobicContact CG1-CE1 4.45Å; V41-Y279 HydrophobicContact CG1-CE2 3.77Å; V41-Y279 HydrophobicContact CG1-CG 3.87Å
42	L	52.7	Low	52.7	Low	142 Å²	142	90.4 Å²	90.4	74%	0.743	48%	0.477	S	S	*	.			trans	-72.9	107.8	165.3	-173	73.1	0	0	0	107.6	N44	L42-N44 PolarHBondContact O-N 3.06Å
43	H	50.3	Low	52.1	Low	107 Å²	107	94.6 Å²	94.6	50%	0.495	49%	0.49	S	S	.	.			trans	-64.4	106.6	176.4	-66.3	-60.7	0	0	0	110	V41 Y279	V41-H43 PolarHBondContact O-N 3.16Å; H43-Y279 PolarHBondContact CE1-O 3.02Å; H43-Y279 PolarHBondContact ND1-O 2.98Å
44	N	54.4	Low	52	Low	64 Å²	64	93.8 Å²	93.8	34%	0.342	49%	0.492	S	S	.	.			trans	-81.3	154.3	160.9	-75.8	-18.4	0	0	0	109.6	L42 P46	L42-N44 PolarHBondContact O-N 3.06Å; N44-P46 WeakPolarHBondContact O-CD 3.45Å; N44-P46 VanDerWaalsContact O-N 3.1Å
45	D	57.7	Low	51.9	Low	72 Å²	72	87.9 Å²	87.9	39%	0.385	48%	0.479	S	S	.	.			trans	-61	113.9	173.9	-177.7	-12.6	0	0	0	108.4	H47 A48	D45-H47 PolarHBondContact O-N 3.26Å; D45-H47 WeakPolarHBondContact OD1-CB 3.5Å; D45-H47 IonicContact OD1-CD2 3.78Å; D45-H47 IonicContact OD1-CG 2.83Å; D45-H47 PolarHBondContact OD1-N 3.47Å; D45-A48 HydrophobicContact CB-CB 4.01Å; D45-A48 PolarHBondContact O-N 2.64Å; D45-A48 WeakPolarHBondContact OD2-CB 3.33Å
46	P	58.6	Low	51.9	Low	14 Å²	14	90.8 Å²	90.8	9%	0.091	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.6	-176.6	26.9	-34.4	0	0	0	113.4	N44 F269 L280 F284 Y310	N44-P46 WeakPolarHBondContact O-CD 3.45Å; N44-P46 VanDerWaalsContact O-N 3.1Å; P46-F269 HydrophobicContact CB-CD1 4.21Å; P46-F269 HydrophobicContact CB-CE1 4.2Å; P46-L280 HydrophobicContact CB-CD2 3.81Å; P46-L280 HydrophobicContact CG-CD2 4.17Å; P46-F284 HydrophobicContact CB-CE1 4.19Å; P46-F284 HydrophobicContact CB-CZ 3.91Å; P46-F284 HydrophobicContact CG-CD2 4.32Å; P46-F284 HydrophobicContact CG-CE1 3.77Å; P46-F284 HydrophobicContact CG-CE2 3.48Å; P46-F284 VanDerWaalsContact CG-CE2 3.48Å; P46-F284 HydrophobicContact CG-CZ 3.16Å; P46-Y310 VanDerWaalsContact O-CD2 3.22Å; P46-Y310 WeakPolarHBondContact O-CD2 3.27Å; P46-Y310 VanDerWaalsContact O-CE2 3.28Å; P46-Y310 WeakPolarHBondContact O-CE2 3.43Å
47	H	60.2	Low	52.4	Low	56 Å²	56	90.2 Å²	90.2	26%	0.259	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-13.2	178.7	-62.6	-70.6	0	0	0	115.5	D45 F284 W285 Y310	D45-H47 PolarHBondContact O-N 3.26Å; D45-H47 WeakPolarHBondContact OD1-CB 3.5Å; D45-H47 IonicContact OD1-CD2 3.78Å; D45-H47 IonicContact OD1-CG 2.83Å; D45-H47 PolarHBondContact OD1-N 3.47Å; H47-F284 AromaticContact NE2-CE2 3.66Å; H47-F284 AromaticContact NE2-CZ 3.46Å; H47-F284 WeakPolarHBondContact NE2-CZ 3.41Å; H47-W285 AromaticContact CE1-CE2 3.71Å; H47-W285 AromaticContact CE1-CZ2 3.55Å; H47-W285 AromaticContact CE1-NE1 3.32Å; H47-W285 PolarHBondContact CE1-NE1 3.08Å; H47-W285 VanDerWaalsContact CE1-NE1 3.32Å; H47-W285 AromaticContact NE2-CD1 3.87Å; H47-W285 AromaticContact NE2-CE2 3.73Å; H47-W285 AromaticContact NE2-NE1 2.87Å; H47-W285 PolarHBondContact NE2-NE1 3.28Å; H47-Y310 AromaticContact ND1-CE2 3.96Å; H47-Y310 AromaticContact ND1-CZ 3.63Å; H47-Y310 PolarHBondContact ND1-OH 3.34Å; H47-Y310 WeakPolarHBondContact O-CE1 3.45Å
48	A	47.4	Very low	53.1	Low	38 Å²	38	87.5 Å²	87.5	31%	0.314	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	-1.9	-157.3	0	0	0	0	0	117.9	D45	D45-A48 HydrophobicContact CB-CB 4.01Å; D45-A48 PolarHBondContact O-N 2.64Å; D45-A48 WeakPolarHBondContact OD2-CB 3.33Å
49	R	45.9	Very low	54.4	Low	177 Å²	177	83.2 Å²	83.2	67%	0.668	44%	0.444	S	S	*	.			trans	-141.6	60.6	-170.8	-67.2	-170.6	177	-179.4	-0.7	114.9
50	H	48.8	Very low	55.3	Low	37 Å²	37	89.8 Å²	89.8	17%	0.171	47%	0.469	C	S	.	.	S	Bend	trans	-103.2	139.2	152.3	-61.6	-70.4	0	0	0	107.8	D52 E272 Y310 D312	H50-D52 PolarHBondContact O-N 2.72Å; H50-E272 IonicContact CE1-OE1 2.86Å; H50-Y310 PolarHBondContact CD2-O 3.18Å; H50-Y310 VanDerWaalsContact CD2-O 3.28Å; H50-D312 HydrophobicContact CB-CB 3.88Å; H50-D312 WeakPolarHBondContact CB-OD2 3.22Å
51	S	45.4	Very low	56.5	Low	62 Å²	62	82.7 Å²	82.7	43%	0.434	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.2	-16.9	-156.3	-48.2	0	0	0	0	120.1	D312	S51-D312 PolarHBondContact N-OD2 2.64Å
52	D	45.3	Very low	58.1	Low	6 Å²	6	86 Å²	86	3%	0.032	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-34.4	-172.8	-81.9	-37.2	0	0	0	113.6	H50 N54 G55 H58 D312 S313	H50-D52 PolarHBondContact O-N 2.72Å; D52-N54 VanDerWaalsContact C-N 3.3Å; D52-N54 PolarHBondContact O-N 2.88Å; D52-G55 PolarHBondContact O-N 2.99Å; D52-H58 PolarHBondContact O-CE1 2.98Å; D52-H58 PolarHBondContact O-NE2 3.29Å; D52-H58 IonicContact OD1-CE1 3.47Å; D52-H58 IonicContact OD1-CG 3.55Å; D52-H58 IonicContact OD1-ND1 3.16Å; D52-H58 PolarHBondContact OD1-ND1 3.36Å; D52-D312 WeakPolarHBondContact OD2-CB 3.23Å; D52-S313 PolarHBondContact OD1-OG 2.9Å; D52-S313 PolarHBondContact OD2-N 2.8Å; D52-S313 PolarHBondContact OD2-OG 3.18Å; D52-S313 VanDerWaalsContact OD2-OG 3.06Å
53	D	46.4	Very low	59.9	Low	126 Å²	126	83.2 Å²	83.2	67%	0.674	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21	-172	-89.7	-5.1	0	0	0	114.8	G55	D53-G55 PolarHBondContact O-N 3.41Å
54	N	45.4	Very low	61.7	Low	149 Å²	149	83.2 Å²	83.2	80%	0.797	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	5.1	177	-85.4	-8.6	0	0	0	113.8	D52 Q56	D52-N54 VanDerWaalsContact C-N 3.3Å; D52-N54 PolarHBondContact O-N 2.88Å; N54-Q56 PolarHBondContact O-N 2.86Å
55	G	50.4	Low	63	Low	48 Å²	48	82.5 Å²	82.5	50%	0.495	43%	0.433	S	S	.	.	S	Bend	trans	66.6	-2.2	172.6	0	0	0	0	0	115.9	D52 D53	D52-G55 PolarHBondContact O-N 2.99Å; D53-G55 PolarHBondContact O-N 3.41Å
56	Q	51.5	Low	64.1	Low	171 Å²	171	83.3 Å²	83.3	80%	0.799	44%	0.437	S	S	*	.	S	Bend	trans	-98.5	-19.2	-176.1	-75	-173.9	-18	0	0	114.3	N54	N54-Q56 PolarHBondContact O-N 2.86Å
57	N	60	Low	65.2	Low	102 Å²	102	86.4 Å²	86.4	55%	0.545	46%	0.464	S	S	.	.			trans	-124.1	35.2	-171.6	-69.7	-10	0	0	0	113.6
58	H	67.8	Low	66.2	Low	53 Å²	53	86.5 Å²	86.5	25%	0.245	47%	0.466	C	S	.	.			trans	-75.8	137.6	173.5	-66	-47.9	0	0	0	111	D52 E60 K102	D52-H58 PolarHBondContact O-CE1 2.98Å; D52-H58 PolarHBondContact O-NE2 3.29Å; D52-H58 IonicContact OD1-CE1 3.47Å; D52-H58 IonicContact OD1-CG 3.55Å; D52-H58 IonicContact OD1-ND1 3.16Å; D52-H58 PolarHBondContact OD1-ND1 3.36Å; H58-E60 PolarHBondContact O-N 3.42Å; H58-K102 WeakPolarHBondContact NE2-CE 3.35Å; H58-K102 PolarHBondContact NE2-NZ 3.32Å
59	L	80.6	Confident	67.7	Low	46 Å²	46	88.2 Å²	88.2	24%	0.241	48%	0.476	C	S	.	.			trans	-66.5	120.8	170.5	-67.5	177.2	0	0	0	110.6	G61 K105 Y317	L59-G61 PolarHBondContact O-N 3.3Å; L59-K105 PolarHBondContact O-NZ 3.04Å; L59-Y317 HydrophobicContact CD1-CD2 3.49Å; L59-Y317 VanDerWaalsContact CD1-CD2 3.49Å; L59-Y317 HydrophobicContact CD1-CE2 3.59Å
60	E	77	Confident	69.6	Low	201 Å²	201	83.3 Å²	83.3	94%	0.939	47%	0.468	S	S	*	.	S	Bend	trans	-67.7	-16	179.7	-65.9	-172.5	161.9	0	0	113.1	H58	H58-E60 PolarHBondContact O-N 3.42Å
61	G	84	Confident	71.3	Confident	30 Å²	30	87 Å²	87	31%	0.309	49%	0.486	S	S	.	.	S	Bend	trans	-150.6	173.8	-176.3	0	0	0	0	0	114.2	L59 H106	L59-G61 PolarHBondContact O-N 3.3Å; G61-H106 PolarHBondContact O-CE1 3.29Å
62	Q	90.5	Very high	73.2	Confident	106 Å²	106	86 Å²	86	50%	0.495	47%	0.474	S	S	.	.			trans	-87.5	142.8	174.4	-66.4	172.9	-46	0	0	110.7	K105 A109 Y317	Q62-K105 HydrophobicContact CG-CD 4.44Å; Q62-K105 HydrophobicContact CG-CG 4.47Å; Q62-K105 PolarHBondContact NE2-O 3Å; Q62-A109 HydrophobicContact CB-CB 4.11Å; Q62-A109 HydrophobicContact CG-CB 4.02Å; Q62-Y317 VanDerWaalsContact CA-OH 3.25Å; Q62-Y317 WeakPolarHBondContact CA-OH 3.45Å
63	M	90.5	Very high	75.1	Confident	82 Å²	82	94.3 Å²	94.3	40%	0.404	51%	0.51	S	S	.	.			trans	-86.4	128.9	169.1	-54.9	-56.7	117.6	0	0	109.2	F65 Y317	M63-F65 HydrophobicContact CB-CD2 4.11Å; M63-F65 HydrophobicContact CB-CE2 3.79Å; M63-Y317 HydrophobicContact CB-CD1 3.79Å; M63-Y317 HydrophobicContact CB-CD2 4.23Å; M63-Y317 HydrophobicContact CB-CE1 3.66Å; M63-Y317 HydrophobicContact CB-CE2 4.14Å; M63-Y317 HydrophobicContact CB-CG 4.05Å; M63-Y317 HydrophobicContact CG-CD1 4.1Å; M63-Y317 HydrophobicContact CG-CD2 3.62Å; M63-Y317 HydrophobicContact CG-CE1 4.13Å; M63-Y317 HydrophobicContact CG-CE2 3.69Å; M63-Y317 HydrophobicContact CG-CG 3.82Å; M63-Y317 VanDerWaalsContact N-CZ 3.33Å; M63-Y317 PolarHBondContact N-OH 3.12Å; M63-Y317 VanDerWaalsContact N-OH 3.12Å
64	N	87.6	Confident	76.9	Confident	108 Å²	108	94.4 Å²	94.4	58%	0.578	51%	0.51	S	S	*	.			trans	-98.1	88.4	175	-179.9	14.4	0	0	0	109.7	N66 A67	N64-N66 PolarHBondContact O-N 2.84Å; N64-N66 WeakPolarHBondContact OD1-CB 3.33Å; N64-N66 PolarHBondContact OD1-N 3.35Å; N64-A67 HydrophobicContact CB-CB 4.5Å; N64-A67 WeakPolarHBondContact O-CB 3.38Å; N64-A67 PolarHBondContact O-N 3.23Å
65	F	82.6	Confident	78.8	Confident	49 Å²	49	90.9 Å²	90.9	22%	0.215	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-64.8	-21.9	178	-84.9	-80.3	0	0	0	113.7	M63 A67 D68 Y317 E320 Y321 H325	M63-F65 HydrophobicContact CB-CD2 4.11Å; M63-F65 HydrophobicContact CB-CE2 3.79Å; F65-A67 PolarHBondContact O-N 3.3Å; F65-D68 PolarHBondContact O-N 3.5Å; F65-Y317 HydrophobicContact CD2-CD1 4.02Å; F65-Y317 AromaticContact CE2-CD1 3.45Å; F65-Y317 HydrophobicContact CE2-CD1 3.45Å; F65-Y317 VanDerWaalsContact CE2-CD1 3.45Å; F65-Y317 HydrophobicContact CE2-CE1 4.3Å; F65-Y317 AromaticContact CE2-CG 3.97Å; F65-Y317 HydrophobicContact CE2-CG 3.97Å; F65-Y317 WeakPolarHBondContact CZ-O 3.18Å; F65-E320 HydrophobicContact CD2-CB 4.41Å; F65-E320 HydrophobicContact CD2-CG 3.97Å; F65-E320 HydrophobicContact CE2-CB 4.29Å; F65-E320 HydrophobicContact CE2-CG 4.36Å; F65-E320 HydrophobicContact CG-CG 4.18Å; F65-Y321 HydrophobicContact CE1-CD2 4.07Å; F65-Y321 HydrophobicContact CE1-CG 4.36Å; F65-H325 WeakPolarHBondContact CB-NE2 3.29Å; F65-H325 AromaticContact CD1-CD2 3.6Å; F65-H325 AromaticContact CD1-CE1 3.93Å; F65-H325 AromaticContact CD1-NE2 3.54Å; F65-H325 AromaticContact CG-NE2 3.7Å
66	N	79.6	Confident	80.6	Confident	89 Å²	89	94 Å²	94	48%	0.476	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-72.9	-7.8	173.6	-62.1	-46	0	0	0	113.2	N64 D68 S69	N64-N66 PolarHBondContact O-N 2.84Å; N64-N66 WeakPolarHBondContact OD1-CB 3.33Å; N64-N66 PolarHBondContact OD1-N 3.35Å; N66-D68 PolarHBondContact O-N 3.28Å; N66-S69 WeakPolarHBondContact O-CB 3.47Å; N66-S69 PolarHBondContact O-N 3.47Å; N66-S69 VanDerWaalsContact O-N 3.15Å; N66-S69 PolarHBondContact O-OG 3.17Å
67	A	82.7	Confident	82.4	Confident	78 Å²	78	87.9 Å²	87.9	65%	0.645	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-61.7	-26.5	174.5	0	0	0	0	0	112.5	N64 F65	N64-A67 HydrophobicContact CB-CB 4.5Å; N64-A67 WeakPolarHBondContact O-CB 3.38Å; N64-A67 PolarHBondContact O-N 3.23Å; F65-A67 PolarHBondContact O-N 3.3Å
68	D	80.4	Confident	83.9	Confident	59 Å²	59	86.7 Å²	86.7	32%	0.316	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-100.3	28.4	176.5	-168.7	26.9	0	0	0	112.8	F65 N66 S70 Q71 H72	F65-D68 PolarHBondContact O-N 3.5Å; N66-D68 PolarHBondContact O-N 3.28Å; D68-S70 PolarHBondContact O-N 2.95Å; D68-S70 PolarHBondContact OD1-OG 3.12Å; D68-Q71 VanDerWaalsContact CG-NE2 3.33Å; D68-Q71 PolarHBondContact O-N 2.82Å; D68-Q71 WeakPolarHBondContact OD1-CG 3.42Å; D68-Q71 PolarHBondContact OD1-NE2 3.11Å; D68-Q71 VanDerWaalsContact OD1-NE2 3.13Å; D68-Q71 PolarHBondContact OD2-NE2 2.9Å; D68-H72 PolarHBondContact O-CD2 3.35Å
69	S	80	Confident	85.1	Confident	74 Å²	74	88.1 Å²	88.1	52%	0.517	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-53.2	-19.6	177.9	53	0	0	0	0	114.2	N66 Q71 H72	N66-S69 WeakPolarHBondContact O-CB 3.47Å; N66-S69 PolarHBondContact O-N 3.47Å; N66-S69 VanDerWaalsContact O-N 3.15Å; N66-S69 PolarHBondContact O-OG 3.17Å; S69-Q71 PolarHBondContact O-N 3.33Å; S69-H72 PolarHBondContact O-N 3.16Å; S69-H72 VanDerWaalsContact O-N 3.11Å
70	S	85.5	Confident	85.7	Confident	73 Å²	73	87.5 Å²	87.5	51%	0.51	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-58.1	-31.9	172.4	42.4	0	0	0	0	114.2	D68 H72	D68-S70 PolarHBondContact O-N 2.95Å; D68-S70 PolarHBondContact OD1-OG 3.12Å; S70-H72 VanDerWaalsContact C-N 3.28Å
71	Q	84.7	Confident	86.5	Confident	115 Å²	115	83.3 Å²	83.3	54%	0.537	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-81.6	-6.5	178.8	-68.3	-172	44	0	0	113.2	D68 S69 R327	D68-Q71 VanDerWaalsContact CG-NE2 3.33Å; D68-Q71 PolarHBondContact O-N 2.82Å; D68-Q71 WeakPolarHBondContact OD1-CG 3.42Å; D68-Q71 PolarHBondContact OD1-NE2 3.11Å; D68-Q71 VanDerWaalsContact OD1-NE2 3.13Å; D68-Q71 PolarHBondContact OD2-NE2 2.9Å; S69-Q71 PolarHBondContact O-N 3.33Å; Q71-R327 PolarHBondContact O-NH2 3.48Å
72	H	84.6	Confident	87	Confident	40 Å²	40	83.7 Å²	83.7	19%	0.185	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-102.6	3.4	-177.6	-65.5	-86.4	0	0	0	113.7	D68 S69 S70 D74 E75 Y324 H325	D68-H72 PolarHBondContact O-CD2 3.35Å; S69-H72 PolarHBondContact O-N 3.16Å; S69-H72 VanDerWaalsContact O-N 3.11Å; S70-H72 VanDerWaalsContact C-N 3.28Å; H72-D74 PolarHBondContact O-N 3.37Å; H72-E75 IonicContact CE1-OE2 3.71Å; H72-E75 IonicContact CG-OE2 3.57Å; H72-E75 IonicContact ND1-OE2 3.95Å; H72-E75 PolarHBondContact ND1-OE2 2.74Å; H72-E75 VanDerWaalsContact O-CB 3.29Å; H72-E75 WeakPolarHBondContact O-CB 3.34Å; H72-E75 PolarHBondContact O-N 2.81Å; H72-E75 VanDerWaalsContact O-N 3.14Å; H72-Y324 PolarHBondContact CE1-O 3.48Å; H72-H325 AromaticContact CE1-CE1 3.69Å; H72-H325 AromaticContact CE1-ND1 3.26Å; H72-H325 PolarHBondContact CE1-ND1 2.66Å; H72-H325 VanDerWaalsContact CE1-ND1 3.26Å; H72-H325 AromaticContact NE2-CE1 3.41Å; H72-H325 PolarHBondContact NE2-CE1 2.73Å; H72-H325 AromaticContact NE2-ND1 2.93Å; H72-H325 PolarHBondContact NE2-ND1 3.14Å
73	K	84.5	Confident	87.3	Confident	182 Å²	182	79 Å²	79	79%	0.791	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.6	-173.8	-70.8	-177.8	177.1	179.9	0	114.4
74	D	84.9	Confident	87.6	Confident	127 Å²	127	78.7 Å²	78.7	68%	0.679	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	5.9	-178.9	67.5	-29	0	0	0	112.9	H72 N76 R327	H72-D74 PolarHBondContact O-N 3.37Å; D74-N76 PolarHBondContact O-N 2.95Å; D74-R327 IonicContact OD1-NH1 3.39Å; D74-R327 IonicContact OD1-NH2 2.99Å
75	E	85.5	Confident	88.1	Confident	75 Å²	75	80 Å²	80	35%	0.35	42%	0.424	S	S	.	.			trans	-70.1	125.5	179.9	-167.5	172.5	174.1	0	0	110.8	H72 T77	H72-E75 IonicContact CE1-OE2 3.71Å; H72-E75 IonicContact CG-OE2 3.57Å; H72-E75 IonicContact ND1-OE2 3.95Å; H72-E75 PolarHBondContact ND1-OE2 2.74Å; H72-E75 VanDerWaalsContact O-CB 3.29Å; H72-E75 WeakPolarHBondContact O-CB 3.34Å; H72-E75 PolarHBondContact O-N 2.81Å; H72-E75 VanDerWaalsContact O-N 3.14Å; E75-T77 HydrophobicContact CB-CG2 4.49Å; E75-T77 HydrophobicContact CG-CG2 3.94Å; E75-T77 PolarHBondContact O-N 2.81Å
76	N	88.3	Confident	88.7	Confident	113 Å²	113	80.7 Å²	80.7	60%	0.604	43%	0.427	S	S	*	.			trans	-85.6	109	169.3	-178.4	-50.4	0	0	0	109.1	D74 D78	D74-N76 PolarHBondContact O-N 2.95Å; N76-D78 PolarHBondContact ND2-OD2 2.8Å; N76-D78 WeakPolarHBondContact OD1-CB 3.11Å; N76-D78 PolarHBondContact OD1-N 2.66Å; N76-D78 VanDerWaalsContact OD1-N 3.08Å; N76-D78 PolarHBondContact OD1-OD2 3.37Å
77	T	90	Very high	89.6	Confident	44 Å²	44	76.8 Å²	76.8	27%	0.27	41%	0.406	S	S	.	.			trans	-103.9	3	179.8	52.2	0	0	0	0	113.2	E75 I79 A80 E81	E75-T77 HydrophobicContact CB-CG2 4.49Å; E75-T77 HydrophobicContact CG-CG2 3.94Å; E75-T77 PolarHBondContact O-N 2.81Å; T77-I79 VanDerWaalsContact C-N 3.31Å; T77-I79 PolarHBondContact O-N 3.4Å; T77-I79 VanDerWaalsContact O-N 3.14Å; T77-A80 PolarHBondContact O-N 3.13Å; T77-E81 WeakPolarHBondContact CB-OE1 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.41Å; T77-E81 PolarHBondContact O-N 3.35Å; T77-E81 PolarHBondContact OG1-OE1 2.83Å
78	D	91.6	Very high	90.3	Very high	77 Å²	77	76.9 Å²	76.9	41%	0.412	39%	0.39	S	S	.	.	H	α-helix	trans	-52.9	-45.3	-168.2	-57.7	-26.3	0	0	0	112.9	N76 N82	N76-D78 PolarHBondContact ND2-OD2 2.8Å; N76-D78 WeakPolarHBondContact OD1-CB 3.11Å; N76-D78 PolarHBondContact OD1-N 2.66Å; N76-D78 VanDerWaalsContact OD1-N 3.08Å; N76-D78 PolarHBondContact OD1-OD2 3.37Å; D78-N82 WeakPolarHBondContact O-CB 3.01Å; D78-N82 PolarHBondContact O-N 2.8Å
79	I	91.6	Very high	91.2	Very high	83 Å²	83	74.1 Å²	74.1	43%	0.426	38%	0.375	S	S	.	.	H	α-helix	trans	-69.8	-44.5	180	-62.8	177.2	0	0	0	110.7	T77 N82 L83 L339 I347	T77-I79 VanDerWaalsContact C-N 3.31Å; T77-I79 PolarHBondContact O-N 3.4Å; T77-I79 VanDerWaalsContact O-N 3.14Å; I79-N82 PolarHBondContact O-N 2.93Å; I79-L83 HydrophobicContact CG2-CD1 4.08Å; I79-L83 WeakPolarHBondContact O-CB 3.39Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 3.3Å; I79-L339 HydrophobicContact CG2-CD1 4.12Å; I79-I347 HydrophobicContact CG1-CD1 4.36Å
80	A	93	Very high	92.1	Very high	33 Å²	33	70.6 Å²	70.6	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-43	-179.6	0	0	0	0	0	110.8	T77 L83 Y84	T77-A80 PolarHBondContact O-N 3.13Å; A80-L83 PolarHBondContact O-N 3.15Å; A80-Y84 WeakPolarHBondContact O-CB 3.2Å; A80-Y84 PolarHBondContact O-N 2.7Å
81	E	95	Very high	92.7	Very high	112 Å²	112	67.1 Å²	67.1	52%	0.523	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-43.7	175.5	-72.1	179.9	-166.3	0	0	112	T77 L83 Y84 Q85	T77-E81 WeakPolarHBondContact CB-OE1 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.41Å; T77-E81 PolarHBondContact O-N 3.35Å; T77-E81 PolarHBondContact OG1-OE1 2.83Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 2.92Å; E81-Y84 WeakPolarHBondContact O-CB 3.17Å; E81-Y84 PolarHBondContact O-N 3.25Å; E81-Y84 VanDerWaalsContact O-N 3.16Å; E81-Q85 WeakPolarHBondContact O-CG 3.37Å; E81-Q85 PolarHBondContact O-N 2.96Å
82	N	95	Very high	93.4	Very high	38 Å²	38	61.6 Å²	61.6	20%	0.203	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-44.5	175.6	-170.2	-98.3	0	0	0	111.5	D78 I79 Q85 K86	D78-N82 WeakPolarHBondContact O-CB 3.01Å; D78-N82 PolarHBondContact O-N 2.8Å; I79-N82 PolarHBondContact O-N 2.93Å; N82-Q85 PolarHBondContact O-N 3.15Å; N82-K86 WeakPolarHBondContact O-CG 3.07Å; N82-K86 PolarHBondContact O-N 3.18Å; N82-K86 WeakPolarHBondContact OD1-CD 3.49Å; N82-K86 WeakPolarHBondContact OD1-CE 3.38Å; N82-K86 PolarHBondContact OD1-NZ 2.98Å
83	L	96.3	Very high	94.1	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-38.9	175.1	-75.5	175.6	0	0	0	111.8	I79 A80 E81 Q85 K86 V87 R180 W181 I343	I79-L83 HydrophobicContact CG2-CD1 4.08Å; I79-L83 WeakPolarHBondContact O-CB 3.39Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 3.3Å; A80-L83 PolarHBondContact O-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 2.92Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 3.42Å; L83-K86 PolarHBondContact O-N 2.92Å; L83-V87 HydrophobicContact CD2-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.3Å; L83-V87 PolarHBondContact O-N 3.32Å; L83-R180 HydrophobicContact CB-CB 4.04Å; L83-R180 HydrophobicContact CD1-CB 4.44Å; L83-W181 HydrophobicContact CD1-CB 4.49Å; L83-I343 HydrophobicContact CD2-CD1 3.94Å
84	Y	97.2	Very high	94.7	Very high	75 Å²	75	51.4 Å²	51.4	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-58.5	-40	177.4	179.4	-84.6	0	0	0	112.5	A80 E81 N116 R180	A80-Y84 WeakPolarHBondContact O-CB 3.2Å; A80-Y84 PolarHBondContact O-N 2.7Å; E81-Y84 WeakPolarHBondContact O-CB 3.17Å; E81-Y84 PolarHBondContact O-N 3.25Å; E81-Y84 VanDerWaalsContact O-N 3.16Å; Y84-N116 PolarHBondContact O-ND2 3.4Å; Y84-R180 VanDerWaalsContact CD2-CZ 3.48Å
85	Q	96.9	Very high	95.3	Very high	136 Å²	136	45.6 Å²	45.6	64%	0.636	23%	0.225	S	C	*	.	H	α-helix	trans	-73.8	-34.8	177.8	-63.2	-58.7	-29.9	0	0	112.8	E81 N82 L83	E81-Q85 WeakPolarHBondContact O-CG 3.37Å; E81-Q85 PolarHBondContact O-N 2.96Å; N82-Q85 PolarHBondContact O-N 3.15Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 3.42Å
86	K	95.5	Very high	95.7	Very high	63 Å²	63	42 Å²	42	27%	0.274	21%	0.209	S	C	.	.	H	α-helix	trans	-87.8	-35.2	-174.3	-72.5	176.2	179.5	176.2	0	114.6	N82 L83 I343 E346	N82-K86 WeakPolarHBondContact O-CG 3.07Å; N82-K86 PolarHBondContact O-N 3.18Å; N82-K86 WeakPolarHBondContact OD1-CD 3.49Å; N82-K86 WeakPolarHBondContact OD1-CE 3.38Å; N82-K86 PolarHBondContact OD1-NZ 2.98Å; L83-K86 PolarHBondContact O-N 2.92Å; K86-I343 HydrophobicContact CD-CG1 4.34Å; K86-E346 WeakPolarHBondContact CE-OE2 3.48Å; K86-E346 IonicContact NZ-OE2 3.71Å; K86-E346 PolarHBondContact NZ-OE2 2.77Å
87	V	98	Very high	96.1	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.042	19%	0.194	C	C	.	.	S	Bend	trans	-112	84.3	-175.7	-173	0	0	0	0	107.2	L83 I89 R180 L183	L83-V87 HydrophobicContact CD2-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.3Å; L83-V87 PolarHBondContact O-N 3.32Å; V87-I89 HydrophobicContact CG1-CD1 4.31Å; V87-I89 HydrophobicContact CG1-CG1 4.22Å; V87-I89 PolarHBondContact O-N 2.96Å; V87-R180 HydrophobicContact CB-CB 4.19Å; V87-R180 HydrophobicContact CB-CG 3.99Å; V87-R180 HydrophobicContact CG1-CB 4.32Å; V87-R180 HydrophobicContact CG1-CG 4.09Å; V87-R180 PolarHBondContact O-NE 2.87Å; V87-L183 HydrophobicContact CG1-CB 3.86Å; V87-L183 HydrophobicContact CG1-CD1 4.37Å
88	R	98.6	Very high	96.2	Very high	81 Å²	81	41.9 Å²	41.9	31%	0.306	21%	0.205	S	C	.	.			trans	-79.5	116.7	-176.9	-57.5	179	-61.9	152.1	1.6	109.6	N116 E160 D161 A162 D163 W164	R88-N116 WeakPolarHBondContact CA-OD1 3.34Å; R88-E160 PolarHBondContact NH1-O 2.99Å; R88-E160 VanDerWaalsContact NH1-O 3.12Å; R88-D161 PolarHBondContact NH1-O 3.35Å; R88-A162 HydrophobicContact CB-CB 4.48Å; R88-D163 IonicContact CZ-OD1 2.9Å; R88-D163 IonicContact CZ-OD2 3.3Å; R88-D163 IonicContact NE-OD1 2.74Å; R88-D163 IonicContact NE-OD2 3.74Å; R88-D163 PolarHBondContact NE-OD2 3.43Å; R88-D163 IonicContact NH2-OD1 3.94Å; R88-D163 PolarHBondContact NH2-OD1 3.01Å; R88-D163 IonicContact NH2-OD2 2.59Å; R88-D163 PolarHBondContact NH2-OD2 2.68Å; R88-D163 PolarHBondContact O-N 3.22Å; R88-W164 PolarHBondContact O-N 3.18Å; R88-W164 VanDerWaalsContact O-N 3.11Å
89	I	98.9	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.2	-177.3	-57.9	166.4	0	0	0	109	V87 N116 K117 W164 L166 L176 L179 R180 L183	V87-I89 HydrophobicContact CG1-CD1 4.31Å; V87-I89 HydrophobicContact CG1-CG1 4.22Å; V87-I89 PolarHBondContact O-N 2.96Å; I89-N116 PolarHBondContact N-OD1 2.6Å; I89-N116 WeakPolarHBondContact O-CB 3.44Å; I89-N116 PolarHBondContact O-N 3.05Å; I89-K117 PolarHBondContact O-N 3.08Å; I89-W164 WeakPolarHBondContact CA-O 3.48Å; I89-W164 HydrophobicContact CG1-CB 4.1Å; I89-L166 HydrophobicContact CG2-CB 4.01Å; I89-L176 HydrophobicContact CB-CD1 4.4Å; I89-L176 HydrophobicContact CD1-CD1 3.9Å; I89-L176 HydrophobicContact CG2-CD1 4.12Å; I89-L179 HydrophobicContact CD1-CD2 4.06Å; I89-L179 HydrophobicContact CD1-CG 4.01Å; I89-R180 HydrophobicContact CD1-CG 3.59Å; I89-L183 HydrophobicContact CD1-CD1 3.97Å; I89-L183 HydrophobicContact CG1-CD1 4.23Å
90	L	98.8	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124	163.2	-175.9	152.8	0	0	0	108.6	W92 K117 L119 V154 Y158 A162 W164 F165 L166	L90-W92 HydrophobicContact CD2-CB 4.26Å; L90-K117 WeakPolarHBondContact CA-O 3.41Å; L90-K117 HydrophobicContact CB-CB 4.2Å; L90-K117 HydrophobicContact CD1-CB 3.88Å; L90-K117 HydrophobicContact CD1-CG 4.49Å; L90-K117 HydrophobicContact CG-CB 3.82Å; L90-L119 HydrophobicContact CD1-CD1 4.24Å; L90-L119 HydrophobicContact CD2-CD1 4.14Å; L90-V154 HydrophobicContact CD1-CG1 4.32Å; L90-V154 HydrophobicContact CD2-CG1 4.03Å; L90-V154 HydrophobicContact CD2-CG2 3.99Å; L90-Y158 HydrophobicContact CD1-CD1 4.06Å; L90-Y158 HydrophobicContact CD1-CG 3.74Å; L90-A162 HydrophobicContact CB-CB 3.61Å; L90-W164 PolarHBondContact N-O 3.23Å; L90-F165 HydrophobicContact CB-CD1 3.99Å; L90-F165 HydrophobicContact CB-CE1 4.26Å; L90-F165 HydrophobicContact CD2-CD1 4.36Å; L90-F165 WeakPolarHBondContact O-CA 3.13Å; L90-L166 PolarHBondContact O-N 3.27Å
91	C	98.9	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.8	174.2	-54.7	0	0	0	0	108.9	W111 C115 K117 V118 L119 L166	C91-W111 HydrophobicContact CB-CZ3 4.23Å; C91-C115 HydrophobicContact CB-CB 3.78Å; C91-C115 WeakPolarHBondContact CB-SG 3.29Å; C91-C115 WeakPolarHBondContact SG-CB 3.22Å; C91-C115 CovalentContact SG-SG 2.03Å; C91-C115 PolarHBondContact SG-SG 2.9Å; C91-K117 PolarHBondContact N-O 3.15Å; C91-V118 CarbonylContact O-C 3.52Å; C91-V118 VanDerWaalsContact O-CA 3.29Å; C91-V118 WeakPolarHBondContact O-CA 3.34Å; C91-L119 PolarHBondContact O-N 2.77Å; C91-L166 HydrophobicContact CB-CD2 4.49Å
92	W	98.6	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.4	164.2	72.9	-94.1	0	0	0	110	L90 M94 L119 M121 T147 A150 F151 V154 L166 K167 A168	L90-W92 HydrophobicContact CD2-CB 4.26Å; W92-M94 HydrophobicContact CH2-CE 3.76Å; W92-M94 HydrophobicContact CZ3-CB 3.91Å; W92-M94 HydrophobicContact CZ3-CE 3.76Å; W92-M94 HydrophobicContact CZ3-SD 4.26Å; W92-L119 CarbonylContact C-O 3.46Å; W92-L119 VanDerWaalsContact CA-O 3.25Å; W92-L119 WeakPolarHBondContact CA-O 3.39Å; W92-L119 HydrophobicContact CB-CB 4.23Å; W92-M121 HydrophobicContact CB-CE 3.87Å; W92-M121 HydrophobicContact CB-CG 4.03Å; W92-M121 HydrophobicContact CD2-CG 4.24Å; W92-M121 HydrophobicContact CE3-CB 4.05Å; W92-M121 HydrophobicContact CE3-CG 3.65Å; W92-M121 HydrophobicContact CG-CE 4.47Å; W92-M121 HydrophobicContact CG-CG 4.46Å; W92-M121 HydrophobicContact CZ3-CB 4.43Å; W92-M121 HydrophobicContact CZ3-CG 4.42Å; W92-T147 HydrophobicContact CH2-CG2 4.4Å; W92-T147 HydrophobicContact CZ2-CG2 4.29Å; W92-A150 HydrophobicContact CD2-CB 4.05Å; W92-A150 HydrophobicContact CE3-CB 3.92Å; W92-A150 HydrophobicContact CH2-CB 3.99Å; W92-A150 HydrophobicContact CZ2-CB 4.12Å; W92-A150 HydrophobicContact CZ3-CB 3.9Å; W92-F151 AromaticContact CD1-CE1 3.92Å; W92-F151 AromaticContact CE2-CE1 3.97Å; W92-F151 AromaticContact CE2-CZ 3.82Å; W92-F151 HydrophobicContact CZ2-CD2 4.11Å; W92-F151 HydrophobicContact CZ2-CE1 4.33Å; W92-F151 AromaticContact CZ2-CE2 3.66Å; W92-F151 HydrophobicContact CZ2-CE2 3.66Å; W92-F151 AromaticContact CZ2-CZ 3.78Å; W92-F151 HydrophobicContact CZ2-CZ 3.78Å; W92-F151 AromaticContact NE1-CD1 3.62Å; W92-F151 AromaticContact NE1-CE1 3.04Å; W92-F151 AromaticContact NE1-CE2 3.99Å; W92-F151 AromaticContact NE1-CZ 3.25Å; W92-V154 HydrophobicContact CB-CG2 4.46Å; W92-L166 VanDerWaalsContact CD1-O 3.28Å; W92-L166 PolarHBondContact N-O 2.86Å; W92-K167 HydrophobicContact CD2-CB 4.34Å; W92-K167 HydrophobicContact CD2-CG 4.23Å; W92-K167 HydrophobicContact CE3-CG 4.29Å; W92-K167 HydrophobicContact CH2-CB 4.11Å; W92-K167 HydrophobicContact CH2-CD 4.34Å; W92-K167 HydrophobicContact CH2-CG 3.22Å; W92-K167 HydrophobicContact CZ2-CB 3.46Å; W92-K167 VanDerWaalsContact CZ2-CB 3.46Å; W92-K167 HydrophobicContact CZ2-CD 4.5Å; W92-K167 HydrophobicContact CZ2-CG 3.1Å; W92-K167 HydrophobicContact CZ3-CG 3.83Å; W92-A168 PolarHBondContact O-N 2.89Å; W92-A168 VanDerWaalsContact O-N 3.12Å
93	V	98.6	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.9	-174	-178.1	0	0	0	0	108.7	T95 V107 W111 L119 F120 M121 A168 D170	V93-T95 PolarHBondContact O-N 3.49Å; V93-V107 HydrophobicContact CG1-CG1 4.37Å; V93-V107 HydrophobicContact CG2-CG1 3.88Å; V93-W111 HydrophobicContact CG2-CH2 3.87Å; V93-W111 HydrophobicContact CG2-CZ2 4.27Å; V93-L119 PolarHBondContact N-O 2.87Å; V93-F120 HydrophobicContact CB-CD1 3.77Å; V93-F120 HydrophobicContact CB-CE1 4.06Å; V93-F120 HydrophobicContact CG1-CD1 4.12Å; V93-F120 HydrophobicContact CG1-CE1 4.3Å; V93-F120 HydrophobicContact CG2-CD1 4.16Å; V93-F120 HydrophobicContact CG2-CE1 3.98Å; V93-M121 PolarHBondContact O-N 3.01Å; V93-A168 CarbonylContact C-O 3.38Å; V93-A168 WeakPolarHBondContact CA-O 3.17Å; V93-D170 HydrophobicContact CG1-CB 4.14Å
94	M	97.9	Very high	96.3	Very high	8 Å²	8	38 Å²	38	4%	0.039	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	119	171.5	-175.8	71.7	78.2	0	0	109	W92 L143 K146 T147 A168 D169 D170	W92-M94 HydrophobicContact CH2-CE 3.76Å; W92-M94 HydrophobicContact CZ3-CB 3.91Å; W92-M94 HydrophobicContact CZ3-CE 3.76Å; W92-M94 HydrophobicContact CZ3-SD 4.26Å; M94-L143 HydrophobicContact CE-CD2 4.44Å; M94-L143 WeakPolarHBondContact CE-O 3.45Å; M94-L143 HydrophobicContact CG-CD2 4.09Å; M94-L143 HydrophobicContact SD-CD2 4.21Å; M94-K146 HydrophobicContact CE-CB 3.69Å; M94-K146 HydrophobicContact SD-CB 3.5Å; M94-K146 WeakPolarHBondContact SD-CB 3.41Å; M94-K146 HydrophobicContact SD-CD 3.94Å; M94-K146 HydrophobicContact SD-CG 4.28Å; M94-T147 WeakPolarHBondContact CE-OG1 3.25Å; M94-A168 PolarHBondContact N-O 3.23Å; M94-D169 WeakPolarHBondContact CB-OD1 3.36Å; M94-D170 PolarHBondContact O-N 3.5Å
95	T	96.7	Very high	96.2	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.025	17%	0.166	C	C	.	.			trans	-149.5	178.4	177.4	-166.2	0	0	0	0	111	V93 N99 L100 A104 F120 M121 K146 D170	V93-T95 PolarHBondContact O-N 3.49Å; T95-N99 WeakPolarHBondContact OG1-CB 3.37Å; T95-L100 HydrophobicContact CG2-CD2 3.63Å; T95-A104 HydrophobicContact CG2-CB 4.3Å; T95-F120 HydrophobicContact CG2-CB 4.28Å; T95-M121 PolarHBondContact N-O 3.14Å; T95-K146 PolarHBondContact O-NZ 3.18Å; T95-D170 WeakPolarHBondContact CA-OD2 3.48Å; T95-D170 VanDerWaalsContact CB-OD2 3.32Å; T95-D170 WeakPolarHBondContact CB-OD2 3.47Å; T95-D170 PolarHBondContact OG1-OD2 2.59Å
96	G	95.2	Very high	96.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	14%	0.136	C	C	.	.			trans	-136.2	165.2	174.6	0	0	0	0	0	111.3	Q98 N99 L100	G96-Q98 PolarHBondContact O-N 3.01Å; G96-Q98 VanDerWaalsContact O-N 3.1Å; G96-N99 PolarHBondContact O-N 3.49Å; G96-L100 PolarHBondContact O-N 2.98Å
97	P	95.3	Very high	96.3	Very high	46 Å²	46	26.2 Å²	26.2	30%	0.299	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-51.1	-39.4	-176.8	-28.3	36	0	0	0	113.6	N99 S122 S123 E124 E138	P97-N99 VanDerWaalsContact C-N 3.29Å; P97-N99 PolarHBondContact O-N 3.24Å; P97-S122 WeakPolarHBondContact CD-OG 3.14Å; P97-S123 WeakPolarHBondContact CD-OG 3.46Å; P97-E124 HydrophobicContact CG-CB 4.1Å; P97-E124 HydrophobicContact CG-CG 4.42Å; P97-E138 WeakPolarHBondContact CD-OE1 3.39Å
98	Q	93.7	Very high	96.2	Very high	108 Å²	108	30.1 Å²	30.1	51%	0.505	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-69.4	-21.1	178.9	72.2	-76.1	5	0	0	114.6	G96	G96-Q98 PolarHBondContact O-N 3.01Å; G96-Q98 VanDerWaalsContact O-N 3.1Å
99	N	94.2	Very high	96	Very high	35 Å²	35	27 Å²	27	19%	0.187	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-100.9	-7.9	-176.7	-73.8	-3.9	0	0	0	113	T95 G96 P97 E101 K102 K103 A104 D170	T95-N99 WeakPolarHBondContact OG1-CB 3.37Å; G96-N99 PolarHBondContact O-N 3.49Å; P97-N99 VanDerWaalsContact C-N 3.29Å; P97-N99 PolarHBondContact O-N 3.24Å; N99-E101 PolarHBondContact O-N 3.17Å; N99-K102 PolarHBondContact O-N 3.24Å; N99-K103 HydrophobicContact CB-CB 4.3Å; N99-K103 HydrophobicContact CB-CD 4.44Å; N99-K103 HydrophobicContact CB-CG 4.49Å; N99-K103 WeakPolarHBondContact O-CA 3.49Å; N99-K103 PolarHBondContact O-N 2.88Å; N99-A104 PolarHBondContact O-N 2.04Å; N99-D170 WeakPolarHBondContact CB-OD2 3.22Å; N99-D170 PolarHBondContact ND2-OD2 2.85Å
100	L	94.6	Very high	95.9	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.131	C	C	.	.	I	π-helix	trans	-56.2	-53	-178	-63	179.2	0	0	0	111.3	T95 G96 A104 K105 N126 F129 A131	T95-L100 HydrophobicContact CG2-CD2 3.63Å; G96-L100 PolarHBondContact O-N 2.98Å; L100-A104 HydrophobicContact CD2-CB 4.22Å; L100-A104 PolarHBondContact O-N 3.02Å; L100-K105 PolarHBondContact O-N 2.82Å; L100-N126 HydrophobicContact CD1-CB 3.69Å; L100-N126 WeakPolarHBondContact CD1-ND2 2.99Å; L100-F129 HydrophobicContact CB-CD1 4.48Å; L100-F129 HydrophobicContact CB-CG 4.39Å; L100-F129 HydrophobicContact CD1-CB 4.42Å; L100-F129 HydrophobicContact CD2-CD1 3.82Å; L100-F129 HydrophobicContact CD2-CE1 4.06Å; L100-A131 HydrophobicContact CD1-CB 4.23Å; L100-A131 HydrophobicContact CD2-CB 3.9Å
101	E	92.2	Very high	95.9	Very high	112 Å²	112	27 Å²	27	52%	0.523	13%	0.131	S	C	.	.	I	π-helix	trans	-78.6	-17.8	179.1	-70.6	-54	133.8	0	0	114.2	N99 K105	N99-E101 PolarHBondContact O-N 3.17Å; E101-K105 WeakPolarHBondContact O-CD 3.46Å; E101-K105 WeakPolarHBondContact O-CE 3Å; E101-K105 PolarHBondContact O-NZ 2.87Å
102	K	91.7	Very high	95.8	Very high	89 Å²	89	27.2 Å²	27.2	39%	0.387	13%	0.132	S	C	.	.	I	π-helix	trans	-99.1	-28	-174.5	-64.5	-176.7	174.4	-156.6	0	113.6	H58 N99 H106	H58-K102 WeakPolarHBondContact NE2-CE 3.35Å; H58-K102 PolarHBondContact NE2-NZ 3.32Å; N99-K102 PolarHBondContact O-N 3.24Å; K102-H106 PolarHBondContact O-CD2 2.77Å; K102-H106 VanDerWaalsContact O-CD2 3.23Å
103	K	94.6	Very high	95.7	Very high	32 Å²	32	32 Å²	32	14%	0.139	16%	0.155	C	C	.	.	I	π-helix	trans	-135.9	-57.7	-170.5	-64.4	-168.6	174.6	-168	0	111.7	N99 K105 H106 V107 D170 D171	N99-K103 HydrophobicContact CB-CB 4.3Å; N99-K103 HydrophobicContact CB-CD 4.44Å; N99-K103 HydrophobicContact CB-CG 4.49Å; N99-K103 WeakPolarHBondContact O-CA 3.49Å; N99-K103 PolarHBondContact O-N 2.88Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 3.43Å; K103-H106 WeakPolarHBondContact O-CB 3.19Å; K103-H106 PolarHBondContact O-N 2.86Å; K103-V107 PolarHBondContact O-N 3.18Å; K103-D170 HydrophobicContact CB-CB 3.88Å; K103-D170 HydrophobicContact CD-CB 4.36Å; K103-D170 WeakPolarHBondContact CD-OD1 3.32Å; K103-D170 IonicContact NZ-OD1 3.8Å; K103-D171 HydrophobicContact CD-CB 4.49Å; K103-D171 IonicContact NZ-OD2 3.5Å; K103-D171 PolarHBondContact NZ-OD2 3.21Å
104	A	96.3	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-60.8	-34.4	-173.3	0	0	0	0	0	113	T95 N99 L100 H106 V107 K108 F120 F129	T95-A104 HydrophobicContact CG2-CB 4.3Å; N99-A104 PolarHBondContact O-N 2.04Å; L100-A104 HydrophobicContact CD2-CB 4.22Å; L100-A104 PolarHBondContact O-N 3.02Å; A104-H106 VanDerWaalsContact C-N 3.25Å; A104-H106 PolarHBondContact O-N 2.9Å; A104-V107 PolarHBondContact O-N 2.76Å; A104-K108 WeakPolarHBondContact O-CB 3.45Å; A104-K108 PolarHBondContact O-N 2.91Å; A104-F120 HydrophobicContact CB-CD1 3.84Å; A104-F120 HydrophobicContact CB-CE1 4.08Å; A104-F129 HydrophobicContact CB-CE1 3.96Å; A104-F129 HydrophobicContact CB-CZ 3.74Å
105	K	95.4	Very high	95.6	Very high	25 Å²	25	35 Å²	35	11%	0.109	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-32.4	173.9	77.9	174	-173.7	-156.3	0	113.4	L59 Q62 L100 E101 K103 A109 F129	L59-K105 PolarHBondContact O-NZ 3.04Å; Q62-K105 HydrophobicContact CG-CD 4.44Å; Q62-K105 HydrophobicContact CG-CG 4.47Å; Q62-K105 PolarHBondContact NE2-O 3Å; L100-K105 PolarHBondContact O-N 2.82Å; E101-K105 WeakPolarHBondContact O-CD 3.46Å; E101-K105 WeakPolarHBondContact O-CE 3Å; E101-K105 PolarHBondContact O-NZ 2.87Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 3.43Å; K105-A109 WeakPolarHBondContact O-CB 3.46Å; K105-A109 PolarHBondContact O-N 3.25Å; K105-A109 VanDerWaalsContact O-N 3.09Å; K105-F129 HydrophobicContact CB-CE2 3.99Å
106	H	95.8	Very high	95.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-79.4	-38	179.6	-59.3	-64.1	0	0	0	110.9	G61 K102 K103 A104 K108 A109 T110 S313 M316 Y317	G61-H106 PolarHBondContact O-CE1 3.29Å; K102-H106 PolarHBondContact O-CD2 2.77Å; K102-H106 VanDerWaalsContact O-CD2 3.23Å; K103-H106 WeakPolarHBondContact O-CB 3.19Å; K103-H106 PolarHBondContact O-N 2.86Å; A104-H106 VanDerWaalsContact C-N 3.25Å; A104-H106 PolarHBondContact O-N 2.9Å; H106-K108 VanDerWaalsContact C-N 3.33Å; H106-K108 PolarHBondContact O-N 3.26Å; H106-A109 PolarHBondContact O-N 2.77Å; H106-A109 VanDerWaalsContact O-N 3.12Å; H106-T110 WeakPolarHBondContact O-CB 3.38Å; H106-T110 WeakPolarHBondContact O-CG2 3.35Å; H106-T110 PolarHBondContact O-N 3.34Å; H106-T110 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-OG1 3.11Å; H106-S313 WeakPolarHBondContact CD2-CB 3.49Å; H106-M316 HydrophobicContact CB-SD 3.98Å; H106-Y317 HydrophobicContact CB-CE2 4.4Å; H106-Y317 AromaticContact CE1-CE2 3.94Å; H106-Y317 AromaticContact ND1-CE2 3.25Å; H106-Y317 VanDerWaalsContact ND1-CE2 3.25Å; H106-Y317 WeakPolarHBondContact ND1-CE2 3.46Å; H106-Y317 AromaticContact ND1-CZ 3.44Å; H106-Y317 PolarHBondContact ND1-OH 3.43Å
107	V	97.4	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.8	-49.2	168.2	170.5	0	0	0	0	110.6	V93 K103 A104 A109 T110 W111 A112 F120 M316	V93-V107 HydrophobicContact CG1-CG1 4.37Å; V93-V107 HydrophobicContact CG2-CG1 3.88Å; K103-V107 PolarHBondContact O-N 3.18Å; A104-V107 PolarHBondContact O-N 2.76Å; V107-A109 VanDerWaalsContact C-N 3.26Å; V107-A109 PolarHBondContact O-N 3.26Å; V107-T110 PolarHBondContact O-N 3.3Å; V107-T110 PolarHBondContact O-OG1 3.39Å; V107-W111 HydrophobicContact CB-CZ2 4.43Å; V107-W111 HydrophobicContact CG1-CD2 4.31Å; V107-W111 VanDerWaalsContact CG1-CE2 3.5Å; V107-W111 HydrophobicContact CG1-CH2 3.99Å; V107-W111 HydrophobicContact CG1-CZ2 3.33Å; V107-W111 HydrophobicContact CG2-CZ2 4.35Å; V107-A112 HydrophobicContact CG1-CB 3.87Å; V107-A112 WeakPolarHBondContact O-CB 3.35Å; V107-A112 PolarHBondContact O-N 3.3Å; V107-F120 HydrophobicContact CB-CE1 4.24Å; V107-F120 HydrophobicContact CG1-CE1 3.94Å; V107-F120 HydrophobicContact CG1-CZ 4.38Å; V107-M316 HydrophobicContact CB-SD 4.41Å; V107-M316 HydrophobicContact CG2-CE 3.72Å; V107-M316 HydrophobicContact CG2-SD 3.78Å; V107-M316 PolarHBondContact N-SD 2.92Å
108	K	96.2	Very high	96	Very high	89 Å²	89	41.1 Å²	41.1	39%	0.387	19%	0.194	S	C	.	.	H	α-helix	trans	-58.9	-34.6	176.3	-169.6	-179.7	175.2	-173.6	0	113.2	A104 H106 Q113 F120 F129	A104-K108 WeakPolarHBondContact O-CB 3.45Å; A104-K108 PolarHBondContact O-N 2.91Å; H106-K108 VanDerWaalsContact C-N 3.33Å; H106-K108 PolarHBondContact O-N 3.26Å; K108-Q113 WeakPolarHBondContact O-CG 3.32Å; K108-F120 HydrophobicContact CB-CE1 4.49Å; K108-F120 HydrophobicContact CB-CE2 4.15Å; K108-F120 HydrophobicContact CB-CZ 3.62Å; K108-F120 HydrophobicContact CD-CE2 4.34Å; K108-F120 HydrophobicContact CG-CE2 4.17Å; K108-F120 HydrophobicContact CG-CZ 4.12Å; K108-F129 HydrophobicContact CB-CZ 4.37Å; K108-F129 HydrophobicContact CD-CE2 4Å; K108-F129 HydrophobicContact CD-CZ 4.1Å
109	A	95.1	Very high	96.2	Very high	14 Å²	14	36.7 Å²	36.7	12%	0.116	17%	0.174	C	C	.	.	H	α-helix	trans	-83.2	-10.8	-178	0	0	0	0	0	114.2	Q62 K105 H106 V107 Q113 Y317	Q62-A109 HydrophobicContact CB-CB 4.11Å; Q62-A109 HydrophobicContact CG-CB 4.02Å; K105-A109 WeakPolarHBondContact O-CB 3.46Å; K105-A109 PolarHBondContact O-N 3.25Å; K105-A109 VanDerWaalsContact O-N 3.09Å; H106-A109 PolarHBondContact O-N 2.77Å; H106-A109 VanDerWaalsContact O-N 3.12Å; V107-A109 VanDerWaalsContact C-N 3.26Å; V107-A109 PolarHBondContact O-N 3.26Å; A109-Q113 PolarHBondContact O-NE2 3.03Å; A109-Q113 VanDerWaalsContact O-NE2 3.09Å; A109-Y317 HydrophobicContact CB-CE1 4.3Å; A109-Y317 WeakPolarHBondContact CB-OH 3.35Å
110	T	96.7	Very high	96.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-117.3	-173.9	56.2	0	0	0	0	110.3	H106 V107 A112 Q113 M316 Y317 E320	H106-T110 WeakPolarHBondContact O-CB 3.38Å; H106-T110 WeakPolarHBondContact O-CG2 3.35Å; H106-T110 PolarHBondContact O-N 3.34Å; H106-T110 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-OG1 3.11Å; V107-T110 PolarHBondContact O-N 3.3Å; V107-T110 PolarHBondContact O-OG1 3.39Å; T110-A112 PolarHBondContact O-N 2.67Å; T110-A112 VanDerWaalsContact O-N 3.12Å; T110-Q113 WeakPolarHBondContact O-CB 3.44Å; T110-Q113 WeakPolarHBondContact O-CG 3.43Å; T110-Q113 PolarHBondContact O-N 2.9Å; T110-Q113 VanDerWaalsContact O-N 3.1Å; T110-M316 HydrophobicContact CG2-CG 4.38Å; T110-Y317 HydrophobicContact CG2-CD1 3.32Å; T110-Y317 HydrophobicContact CG2-CE1 3.28Å; T110-Y317 HydrophobicContact CG2-CG 4.42Å; T110-E320 WeakPolarHBondContact CB-OE2 3.36Å; T110-E320 HydrophobicContact CG2-CB 4.25Å; T110-E320 HydrophobicContact CG2-CG 4.33Å
111	W	97.9	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61.3	-28.1	-169.3	63.6	-95.9	0	0	0	114.2	C91 V93 V107 Q113 R114 L166 A168 T172 Y173 V174 L176	C91-W111 HydrophobicContact CB-CZ3 4.23Å; V93-W111 HydrophobicContact CG2-CH2 3.87Å; V93-W111 HydrophobicContact CG2-CZ2 4.27Å; V107-W111 HydrophobicContact CB-CZ2 4.43Å; V107-W111 HydrophobicContact CG1-CD2 4.31Å; V107-W111 VanDerWaalsContact CG1-CE2 3.5Å; V107-W111 HydrophobicContact CG1-CH2 3.99Å; V107-W111 HydrophobicContact CG1-CZ2 3.33Å; V107-W111 HydrophobicContact CG2-CZ2 4.35Å; W111-Q113 PolarHBondContact O-N 3.1Å; W111-R114 WeakPolarHBondContact O-CB 3.2Å; W111-R114 PolarHBondContact O-N 2.93Å; W111-L166 HydrophobicContact CZ3-CD2 4.45Å; W111-A168 HydrophobicContact CH2-CB 3.66Å; W111-A168 HydrophobicContact CZ2-CB 3.97Å; W111-T172 PolarHBondContact NE1-O 3.07Å; W111-Y173 HydrophobicContact CB-CD2 4.22Å; W111-Y173 HydrophobicContact CB-CE2 3.87Å; W111-Y173 AromaticContact CD1-CD2 3.47Å; W111-Y173 VanDerWaalsContact CD1-CD2 3.47Å; W111-Y173 AromaticContact CD1-CE2 3.9Å; W111-Y173 HydrophobicContact CG-CD2 4.15Å; W111-Y173 HydrophobicContact CG-CE2 4.27Å; W111-V174 WeakPolarHBondContact CB-O 3.45Å; W111-V174 HydrophobicContact CD2-CB 4.1Å; W111-V174 HydrophobicContact CD2-CG2 4.34Å; W111-V174 HydrophobicContact CE3-CB 3.92Å; W111-V174 HydrophobicContact CE3-CG2 4.26Å; W111-V174 HydrophobicContact CH2-CG2 4.14Å; W111-V174 HydrophobicContact CZ2-CG2 4.19Å; W111-V174 HydrophobicContact CZ3-CB 4.22Å; W111-V174 HydrophobicContact CZ3-CG2 4.17Å; W111-L176 HydrophobicContact CE3-CD2 3.63Å; W111-L176 HydrophobicContact CZ3-CD2 4.2Å
112	A	97.8	Very high	96.8	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-67.2	-17.6	-179.2	0	0	0	0	0	113.1	V107 T110 R114 C115 V118	V107-A112 HydrophobicContact CG1-CB 3.87Å; V107-A112 WeakPolarHBondContact O-CB 3.35Å; V107-A112 PolarHBondContact O-N 3.3Å; T110-A112 PolarHBondContact O-N 2.67Å; T110-A112 VanDerWaalsContact O-N 3.12Å; A112-R114 PolarHBondContact O-N 3.4Å; A112-C115 WeakPolarHBondContact O-CB 3.29Å; A112-C115 PolarHBondContact O-N 3.47Å; A112-C115 VanDerWaalsContact O-N 3.12Å; A112-V118 HydrophobicContact CB-CG2 3.99Å
113	Q	96.1	Very high	97	Very high	102 Å²	102	25.9 Å²	25.9	48%	0.477	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-61.7	-25.1	171.8	-64.9	-175.5	2.3	0	0	112.4	K108 A109 T110 W111 C115	K108-Q113 WeakPolarHBondContact O-CG 3.32Å; A109-Q113 PolarHBondContact O-NE2 3.03Å; A109-Q113 VanDerWaalsContact O-NE2 3.09Å; T110-Q113 WeakPolarHBondContact O-CB 3.44Å; T110-Q113 WeakPolarHBondContact O-CG 3.43Å; T110-Q113 PolarHBondContact O-N 2.9Å; T110-Q113 VanDerWaalsContact O-N 3.1Å; W111-Q113 PolarHBondContact O-N 3.1Å; Q113-C115 VanDerWaalsContact C-N 3.33Å
114	R	97.3	Very high	97	Very high	61 Å²	61	30.7 Å²	30.7	23%	0.23	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-88.8	1.7	179.4	-57.9	173.8	-155.5	-92.5	-5.9	112.2	W111 A112 L176 R180 E320 Y324	W111-R114 WeakPolarHBondContact O-CB 3.2Å; W111-R114 PolarHBondContact O-N 2.93Å; A112-R114 PolarHBondContact O-N 3.4Å; R114-L176 HydrophobicContact CB-CB 3.83Å; R114-L176 HydrophobicContact CB-CG 4.17Å; R114-R180 PolarHBondContact O-NH1 3.03Å; R114-R180 PolarHBondContact O-NH2 3.01Å; R114-E320 IonicContact CZ-OE1 3.98Å; R114-E320 IonicContact NE-OE1 2.91Å; R114-E320 IonicContact NH2-OE1 3.85Å; R114-E320 PolarHBondContact NH2-OE1 3.18Å; R114-Y324 VanDerWaalsContact CD-CZ 3.48Å; R114-Y324 WeakPolarHBondContact CD-OH 3.48Å; R114-Y324 PolarHBondContact NE-OH 3.41Å
115	C	98.5	Very high	97	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.061	18%	0.181	C	C	.	.	S	Bend	trans	-80.8	145.1	172.8	-62.6	0	0	0	0	111	C91 A112 Q113 K117 V118	C91-C115 HydrophobicContact CB-CB 3.78Å; C91-C115 WeakPolarHBondContact CB-SG 3.29Å; C91-C115 WeakPolarHBondContact SG-CB 3.22Å; C91-C115 CovalentContact SG-SG 2.03Å; C91-C115 PolarHBondContact SG-SG 2.9Å; A112-C115 WeakPolarHBondContact O-CB 3.29Å; A112-C115 PolarHBondContact O-N 3.47Å; A112-C115 VanDerWaalsContact O-N 3.12Å; Q113-C115 VanDerWaalsContact C-N 3.33Å; C115-K117 VanDerWaalsContact C-N 3.3Å; C115-K117 WeakPolarHBondContact CB-O 3.47Å; C115-V118 HydrophobicContact CB-CB 4.46Å
116	N	98.4	Very high	96.9	Very high	32 Å²	32	39.1 Å²	39.1	17%	0.171	19%	0.189	C	C	.	.	S	Bend	trans	-69.8	-33.7	175.3	-61.3	80.3	0	0	0	111.2	Y84 R88 I89 R180	Y84-N116 PolarHBondContact O-ND2 3.4Å; R88-N116 WeakPolarHBondContact CA-OD1 3.34Å; I89-N116 PolarHBondContact N-OD1 2.6Å; I89-N116 WeakPolarHBondContact O-CB 3.44Å; I89-N116 PolarHBondContact O-N 3.05Å; N116-R180 PolarHBondContact OD1-NH2 2.95Å
117	K	98.2	Very high	96.5	Very high	93 Å²	93	48.3 Å²	48.3	40%	0.404	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.6	169.5	-66.7	-68.5	-175	170.1	0	108.5	I89 L90 C91 C115 D161	I89-K117 PolarHBondContact O-N 3.08Å; L90-K117 WeakPolarHBondContact CA-O 3.41Å; L90-K117 HydrophobicContact CB-CB 4.2Å; L90-K117 HydrophobicContact CD1-CB 3.88Å; L90-K117 HydrophobicContact CD1-CG 4.49Å; L90-K117 HydrophobicContact CG-CB 3.82Å; C91-K117 PolarHBondContact N-O 3.15Å; C115-K117 VanDerWaalsContact C-N 3.3Å; C115-K117 WeakPolarHBondContact CB-O 3.47Å; K117-D161 HydrophobicContact CG-CB 4.36Å
118	V	98.2	Very high	96.2	Very high	55 Å²	55	55.9 Å²	55.9	33%	0.333	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133	174.2	60.5	0	0	0	0	110.1	C91 A112 C115 F120	C91-V118 CarbonylContact O-C 3.52Å; C91-V118 VanDerWaalsContact O-CA 3.29Å; C91-V118 WeakPolarHBondContact O-CA 3.34Å; A112-V118 HydrophobicContact CB-CG2 3.99Å; C115-V118 HydrophobicContact CB-CB 4.46Å; V118-F120 HydrophobicContact CG1-CE2 4.34Å; V118-F120 HydrophobicContact CG2-CD2 4.25Å; V118-F120 HydrophobicContact CG2-CE1 4.48Å; V118-F120 HydrophobicContact CG2-CE2 3.61Å; V118-F120 HydrophobicContact CG2-CZ 3.74Å
119	L	98.4	Very high	96	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.3	173.3	-59.5	176.4	0	0	0	109.3	L90 C91 W92 V93 M121 Y153 V154 Y158	L90-L119 HydrophobicContact CD1-CD1 4.24Å; L90-L119 HydrophobicContact CD2-CD1 4.14Å; C91-L119 PolarHBondContact O-N 2.77Å; W92-L119 CarbonylContact C-O 3.46Å; W92-L119 VanDerWaalsContact CA-O 3.25Å; W92-L119 WeakPolarHBondContact CA-O 3.39Å; W92-L119 HydrophobicContact CB-CB 4.23Å; V93-L119 PolarHBondContact N-O 2.87Å; L119-M121 HydrophobicContact CB-CE 3.68Å; L119-M121 HydrophobicContact CB-SD 4.4Å; L119-M121 HydrophobicContact CD1-CE 3.55Å; L119-M121 HydrophobicContact CG-CE 4.27Å; L119-Y153 HydrophobicContact CD1-CD1 4.41Å; L119-Y153 HydrophobicContact CD1-CE1 4.38Å; L119-V154 HydrophobicContact CD1-CG2 3.92Å; L119-Y158 HydrophobicContact CD1-CD2 3.7Å; L119-Y158 HydrophobicContact CD1-CE2 3.74Å; L119-Y158 HydrophobicContact CD1-CG 4.31Å; L119-Y158 HydrophobicContact CD2-CE1 4.4Å; L119-Y158 HydrophobicContact CD2-CE2 3.99Å
120	F	98.3	Very high	95.8	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.9	173.3	-64.8	-87.7	0	0	0	108.4	V93 T95 A104 V107 K108 V118 F129 A131 V132	V93-F120 HydrophobicContact CB-CD1 3.77Å; V93-F120 HydrophobicContact CB-CE1 4.06Å; V93-F120 HydrophobicContact CG1-CD1 4.12Å; V93-F120 HydrophobicContact CG1-CE1 4.3Å; V93-F120 HydrophobicContact CG2-CD1 4.16Å; V93-F120 HydrophobicContact CG2-CE1 3.98Å; T95-F120 HydrophobicContact CG2-CB 4.28Å; A104-F120 HydrophobicContact CB-CD1 3.84Å; A104-F120 HydrophobicContact CB-CE1 4.08Å; V107-F120 HydrophobicContact CB-CE1 4.24Å; V107-F120 HydrophobicContact CG1-CE1 3.94Å; V107-F120 HydrophobicContact CG1-CZ 4.38Å; K108-F120 HydrophobicContact CB-CE1 4.49Å; K108-F120 HydrophobicContact CB-CE2 4.15Å; K108-F120 HydrophobicContact CB-CZ 3.62Å; K108-F120 HydrophobicContact CD-CE2 4.34Å; K108-F120 HydrophobicContact CG-CE2 4.17Å; K108-F120 HydrophobicContact CG-CZ 4.12Å; V118-F120 HydrophobicContact CG1-CE2 4.34Å; V118-F120 HydrophobicContact CG2-CD2 4.25Å; V118-F120 HydrophobicContact CG2-CE1 4.48Å; V118-F120 HydrophobicContact CG2-CE2 3.61Å; V118-F120 HydrophobicContact CG2-CZ 3.74Å; F120-F129 HydrophobicContact CB-CE1 3.87Å; F120-F129 AromaticContact CD1-CE1 3.89Å; F120-F129 HydrophobicContact CD1-CE1 3.89Å; F120-F129 HydrophobicContact CD1-CZ 4.17Å; F120-F129 AromaticContact CD2-CE1 3.63Å; F120-F129 HydrophobicContact CD2-CE1 3.63Å; F120-F129 HydrophobicContact CD2-CZ 4.1Å; F120-F129 HydrophobicContact CE1-CE1 4.35Å; F120-F129 HydrophobicContact CE1-CZ 4.18Å; F120-F129 HydrophobicContact CE2-CE1 4.13Å; F120-F129 HydrophobicContact CE2-CZ 4.12Å; F120-F129 AromaticContact CG-CE1 3.51Å; F120-F129 HydrophobicContact CG-CE1 3.51Å; F120-F129 HydrophobicContact CG-CZ 4.13Å; F120-F129 HydrophobicContact CZ-CE1 4.47Å; F120-F129 HydrophobicContact CZ-CZ 4.17Å; F120-A131 HydrophobicContact CB-CB 4.33Å; F120-A131 CarbonylContact O-C 3.47Å; F120-A131 VanDerWaalsContact O-CA 3.24Å; F120-A131 WeakPolarHBondContact O-CA 3.38Å; F120-V132 PolarHBondContact O-N 2.91Å
121	M	98	Very high	95.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	110.7	-171	-62.5	-60.6	-171.5	0	0	109.8	W92 V93 T95 L119 V132 L134 A150 Y153 V154	W92-M121 HydrophobicContact CB-CE 3.87Å; W92-M121 HydrophobicContact CB-CG 4.03Å; W92-M121 HydrophobicContact CD2-CG 4.24Å; W92-M121 HydrophobicContact CE3-CB 4.05Å; W92-M121 HydrophobicContact CE3-CG 3.65Å; W92-M121 HydrophobicContact CG-CE 4.47Å; W92-M121 HydrophobicContact CG-CG 4.46Å; W92-M121 HydrophobicContact CZ3-CB 4.43Å; W92-M121 HydrophobicContact CZ3-CG 4.42Å; V93-M121 PolarHBondContact O-N 3.01Å; T95-M121 PolarHBondContact N-O 3.14Å; L119-M121 HydrophobicContact CB-CE 3.68Å; L119-M121 HydrophobicContact CB-SD 4.4Å; L119-M121 HydrophobicContact CD1-CE 3.55Å; L119-M121 HydrophobicContact CG-CE 4.27Å; M121-V132 HydrophobicContact SD-CB 3.85Å; M121-V132 HydrophobicContact SD-CG1 4.18Å; M121-V132 HydrophobicContact SD-CG2 4.29Å; M121-L134 HydrophobicContact CB-CD1 3.94Å; M121-L134 HydrophobicContact CB-CG 4.46Å; M121-L134 HydrophobicContact SD-CD2 4.05Å; M121-A150 HydrophobicContact CB-CB 4.31Å; M121-A150 HydrophobicContact CE-CB 4.25Å; M121-A150 HydrophobicContact CG-CB 3.82Å; M121-A150 HydrophobicContact SD-CB 4.22Å; M121-Y153 HydrophobicContact CE-CD1 4.03Å; M121-V154 HydrophobicContact CE-CG2 3.64Å
122	S	97.1	Very high	95.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	164.3	-175	174.5	0	0	0	0	110.9	P97 E124 V132 L134	P97-S122 WeakPolarHBondContact CD-OG 3.14Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 VanDerWaalsContact CB-O 3.25Å; S122-E124 WeakPolarHBondContact CB-O 3.32Å; S122-E124 PolarHBondContact OG-N 3.46Å; S122-E124 PolarHBondContact OG-O 3.49Å; S122-V132 PolarHBondContact N-O 2.93Å; S122-V132 VanDerWaalsContact O-O 3.09Å; S122-L134 WeakPolarHBondContact O-CB 3.18Å; S122-L134 WeakPolarHBondContact O-CG 3.3Å; S122-L134 PolarHBondContact O-N 2.87Å
123	S	95.7	Very high	95.6	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.063	29%	0.289	C	S	.	.	S	Bend	trans	-63.9	-41.8	168.7	45.1	0	0	0	0	111.7	P97 L134 K135 T136 E138	P97-S123 WeakPolarHBondContact CD-OG 3.46Å; S123-L134 PolarHBondContact O-N 3.43Å; S123-K135 PolarHBondContact O-N 3.05Å; S123-T136 WeakPolarHBondContact CB-O 3.4Å; S123-E138 WeakPolarHBondContact CB-OE1 3.32Å; S123-E138 PolarHBondContact N-OE1 3.26Å; S123-E138 WeakPolarHBondContact OG-CG 3.27Å; S123-E138 PolarHBondContact OG-OE1 3.13Å
124	E	95.1	Very high	95.6	Very high	133 Å²	133	53 Å²	53	62%	0.621	27%	0.269	S	S	*	.	S	Bend	trans	-115.6	143.4	-177.3	-63.4	176.5	-152	0	0	110.8	P97 S122	P97-E124 HydrophobicContact CG-CB 4.1Å; P97-E124 HydrophobicContact CG-CG 4.42Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 VanDerWaalsContact CB-O 3.25Å; S122-E124 WeakPolarHBondContact CB-O 3.32Å; S122-E124 PolarHBondContact OG-N 3.46Å; S122-E124 PolarHBondContact OG-O 3.49Å
125	E	95	Very high	95.4	Very high	150 Å²	150	59.5 Å²	59.5	70%	0.701	30%	0.299	S	S	*	.			trans	-70	140.8	172	-176.5	-178.1	172.6	0	0	109.4	A131 G133	E125-A131 WeakPolarHBondContact CA-O 3.44Å; E125-G133 VanDerWaalsContact N-CA 3.34Å
126	N	93.2	Very high	95.2	Very high	51 Å²	51	60.3 Å²	60.3	27%	0.273	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-120.8	136.1	172.6	-172.6	-48.4	0	0	0	108.9	L100 D128 F129 A131	L100-N126 HydrophobicContact CD1-CB 3.69Å; L100-N126 WeakPolarHBondContact CD1-ND2 2.99Å; N126-D128 WeakPolarHBondContact OD1-CA 3.45Å; N126-D128 PolarHBondContact OD1-N 2.94Å; N126-F129 CarbonylContact C-O 3.32Å; N126-F129 VanDerWaalsContact C-O 3.32Å; N126-F129 HydrophobicContact CB-CB 4.48Å; N126-F129 WeakPolarHBondContact CB-O 3.49Å; N126-F129 PolarHBondContact OD1-N 2.62Å; N126-A131 HydrophobicContact CB-CB 4.28Å; N126-A131 PolarHBondContact N-O 3.29Å
127	K	87.9	Confident	94.9	Very high	195 Å²	195	66.1 Å²	66.1	85%	0.848	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-27.8	-178.5	-67.7	-176.4	179.2	178.9	0	113
128	D	91.3	Very high	94.6	Very high	158 Å²	158	64.9 Å²	64.9	85%	0.845	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-25.5	-177.5	-56.5	-42.4	0	0	0	111.4	N126	N126-D128 WeakPolarHBondContact OD1-CA 3.45Å; N126-D128 PolarHBondContact OD1-N 2.94Å
129	F	92	Very high	94.1	Very high	10 Å²	10	63.8 Å²	63.8	4%	0.044	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	126.8	171.5	-167.2	-83.6	0	0	0	108.7	L100 A104 K105 K108 F120 N126 A131	L100-F129 HydrophobicContact CB-CD1 4.48Å; L100-F129 HydrophobicContact CB-CG 4.39Å; L100-F129 HydrophobicContact CD1-CB 4.42Å; L100-F129 HydrophobicContact CD2-CD1 3.82Å; L100-F129 HydrophobicContact CD2-CE1 4.06Å; A104-F129 HydrophobicContact CB-CE1 3.96Å; A104-F129 HydrophobicContact CB-CZ 3.74Å; K105-F129 HydrophobicContact CB-CE2 3.99Å; K108-F129 HydrophobicContact CB-CZ 4.37Å; K108-F129 HydrophobicContact CD-CE2 4Å; K108-F129 HydrophobicContact CD-CZ 4.1Å; F120-F129 HydrophobicContact CB-CE1 3.87Å; F120-F129 AromaticContact CD1-CE1 3.89Å; F120-F129 HydrophobicContact CD1-CE1 3.89Å; F120-F129 HydrophobicContact CD1-CZ 4.17Å; F120-F129 AromaticContact CD2-CE1 3.63Å; F120-F129 HydrophobicContact CD2-CE1 3.63Å; F120-F129 HydrophobicContact CD2-CZ 4.1Å; F120-F129 HydrophobicContact CE1-CE1 4.35Å; F120-F129 HydrophobicContact CE1-CZ 4.18Å; F120-F129 HydrophobicContact CE2-CE1 4.13Å; F120-F129 HydrophobicContact CE2-CZ 4.12Å; F120-F129 AromaticContact CG-CE1 3.51Å; F120-F129 HydrophobicContact CG-CE1 3.51Å; F120-F129 HydrophobicContact CG-CZ 4.13Å; F120-F129 HydrophobicContact CZ-CE1 4.47Å; F120-F129 HydrophobicContact CZ-CZ 4.17Å; N126-F129 CarbonylContact C-O 3.32Å; N126-F129 VanDerWaalsContact C-O 3.32Å; N126-F129 HydrophobicContact CB-CB 4.48Å; N126-F129 WeakPolarHBondContact CB-O 3.49Å; N126-F129 PolarHBondContact OD1-N 2.62Å; F129-A131 HydrophobicContact CD1-CB 4.19Å; F129-A131 PolarHBondContact O-N 3.27Å
130	P	89.8	Confident	93.4	Very high	77 Å²	77	72.4 Å²	72.4	50%	0.5	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	62.2	-170.2	32.8	-38.1	0	0	0	112.8
131	A	95.2	Very high	93	Very high	4 Å²	4	76.6 Å²	76.6	3%	0.033	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.6	177.6	0	0	0	0	0	109.8	L100 F120 E125 N126 F129	L100-A131 HydrophobicContact CD1-CB 4.23Å; L100-A131 HydrophobicContact CD2-CB 3.9Å; F120-A131 HydrophobicContact CB-CB 4.33Å; F120-A131 CarbonylContact O-C 3.47Å; F120-A131 VanDerWaalsContact O-CA 3.24Å; F120-A131 WeakPolarHBondContact O-CA 3.38Å; E125-A131 WeakPolarHBondContact CA-O 3.44Å; N126-A131 HydrophobicContact CB-CB 4.28Å; N126-A131 PolarHBondContact N-O 3.29Å; F129-A131 HydrophobicContact CD1-CB 4.19Å; F129-A131 PolarHBondContact O-N 3.27Å
132	V	96.8	Very high	92.8	Very high	20 Å²	20	78.2 Å²	78.2	12%	0.121	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.2	174.6	179.2	0	0	0	0	108.8	F120 M121 S122 L134 Y153	F120-V132 PolarHBondContact O-N 2.91Å; M121-V132 HydrophobicContact SD-CB 3.85Å; M121-V132 HydrophobicContact SD-CG1 4.18Å; M121-V132 HydrophobicContact SD-CG2 4.29Å; S122-V132 PolarHBondContact N-O 2.93Å; S122-V132 VanDerWaalsContact O-O 3.09Å; V132-L134 HydrophobicContact CG1-CD2 4.29Å; V132-L134 PolarHBondContact O-N 3.42Å; V132-Y153 HydrophobicContact CB-CE1 4.38Å; V132-Y153 HydrophobicContact CG1-CD1 4.03Å; V132-Y153 HydrophobicContact CG1-CD2 3.97Å; V132-Y153 HydrophobicContact CG1-CE1 3.73Å; V132-Y153 HydrophobicContact CG1-CE2 3.7Å; V132-Y153 HydrophobicContact CG1-CG 4.13Å; V132-Y153 HydrophobicContact CG2-CE1 3.78Å
133	G	96.7	Very high	92.7	Very high	24 Å²	24	80.9 Å²	80.9	25%	0.247	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.3	175.8	0	0	0	0	0	112.4	E125 K135	E125-G133 VanDerWaalsContact N-CA 3.34Å; G133-K135 VanDerWaalsContact C-N 3.28Å; G133-K135 PolarHBondContact O-N 2.62Å
134	L	96.6	Very high	92.7	Very high	14 Å²	14	80.5 Å²	80.5	7%	0.073	40%	0.397	C	S	.	.			trans	-79.2	-5.4	-178.4	-63.5	-178.7	0	0	0	114.2	M121 S122 S123 V132 T136 K146 K149 A150	M121-L134 HydrophobicContact CB-CD1 3.94Å; M121-L134 HydrophobicContact CB-CG 4.46Å; M121-L134 HydrophobicContact SD-CD2 4.05Å; S122-L134 WeakPolarHBondContact O-CB 3.18Å; S122-L134 WeakPolarHBondContact O-CG 3.3Å; S122-L134 PolarHBondContact O-N 2.87Å; S123-L134 PolarHBondContact O-N 3.43Å; V132-L134 HydrophobicContact CG1-CD2 4.29Å; V132-L134 PolarHBondContact O-N 3.42Å; L134-T136 VanDerWaalsContact C-N 3.25Å; L134-T136 HydrophobicContact CB-CG2 4.19Å; L134-T136 PolarHBondContact O-N 2.97Å; L134-K146 HydrophobicContact CD1-CB 4.06Å; L134-K146 HydrophobicContact CD1-CG 4.32Å; L134-K146 WeakPolarHBondContact CD1-O 3.38Å; L134-K149 HydrophobicContact CB-CB 4.11Å; L134-K149 HydrophobicContact CD1-CB 4.23Å; L134-K149 HydrophobicContact CD2-CB 4.04Å; L134-K149 HydrophobicContact CG-CB 4.37Å; L134-A150 HydrophobicContact CD1-CB 4.12Å
135	K	93.9	Very high	92.8	Very high	198 Å²	198	79.4 Å²	79.4	86%	0.861	39%	0.387	S	S	*	.			trans	56	40.6	-177	-55.5	178	-178.3	175.1	0	112.4	S123 G133	S123-K135 PolarHBondContact O-N 3.05Å; G133-K135 VanDerWaalsContact C-N 3.28Å; G133-K135 PolarHBondContact O-N 2.62Å
136	T	92.6	Very high	92.9	Very high	26 Å²	26	72.3 Å²	72.3	16%	0.16	35%	0.354	C	S	.	.			trans	-113.5	172.2	176.9	51.7	0	0	0	0	109.7	S123 L134 W145 K146 K149	S123-T136 WeakPolarHBondContact CB-O 3.4Å; L134-T136 VanDerWaalsContact C-N 3.25Å; L134-T136 HydrophobicContact CB-CG2 4.19Å; L134-T136 PolarHBondContact O-N 2.97Å; T136-W145 HydrophobicContact CG2-CB 4.25Å; T136-K146 HydrophobicContact CG2-CG 4.27Å; T136-K146 WeakPolarHBondContact OG1-CG 3.23Å; T136-K149 HydrophobicContact CG2-CB 4.46Å; T136-K149 HydrophobicContact CG2-CG 3.95Å
137	K	92.9	Very high	93.1	Very high	154 Å²	154	69.9 Å²	69.9	67%	0.67	34%	0.341	S	S	*	.			trans	-88.2	160.7	173.1	-69.5	178.8	-178.7	-179.6	0	110.7	Q142	K137-Q142 HydrophobicContact CB-CG 3.71Å; K137-Q142 WeakPolarHBondContact O-CB 3.3Å
138	E	91.5	Very high	93.6	Very high	67 Å²	67	60.8 Å²	60.8	31%	0.313	30%	0.301	S	S	.	.			trans	-85.7	156.3	169.1	-68.1	-57.8	137.5	0	0	111.4	P97 S123 K146	P97-E138 WeakPolarHBondContact CD-OE1 3.39Å; S123-E138 WeakPolarHBondContact CB-OE1 3.32Å; S123-E138 PolarHBondContact N-OE1 3.26Å; S123-E138 WeakPolarHBondContact OG-CG 3.27Å; S123-E138 PolarHBondContact OG-OE1 3.13Å; E138-K146 IonicContact OE1-NZ 2.69Å; E138-K146 PolarHBondContact OE1-NZ 2.88Å; E138-K146 IonicContact OE2-NZ 3.82Å; E138-K146 PolarHBondContact OE2-NZ 3.08Å; E138-K146 VanDerWaalsContact OE2-NZ 3.13Å
139	G	87.3	Confident	93.9	Very high	33 Å²	33	57.4 Å²	57.4	34%	0.34	28%	0.279	S	S	.	.	S	Bend	trans	125	155.6	179.6	0	0	0	0	0	113.3	D141 Q142	G139-D141 PolarHBondContact O-N 3.29Å; G139-Q142 PolarHBondContact O-N 2.79Å
140	R	84.4	Confident	94.2	Very high	195 Å²	195	56.9 Å²	56.9	74%	0.736	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-61	-32.8	-179.3	-73.8	-174.3	177.3	-179.7	-0.3	112.4	Q142 L143	R140-Q142 PolarHBondContact O-N 3.2Å; R140-L143 HydrophobicContact CB-CD1 4.45Å; R140-L143 WeakPolarHBondContact O-CG 3.16Å; R140-L143 PolarHBondContact O-N 2.86Å
141	D	90.1	Very high	94.6	Very high	90 Å²	90	53.2 Å²	53.2	48%	0.481	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-72.6	-12.2	177.9	64.8	-54.4	0	0	0	113.9	G139	G139-D141 PolarHBondContact O-N 3.29Å
142	Q	93.4	Very high	94.8	Very high	35 Å²	35	55.5 Å²	55.5	16%	0.164	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-102.7	-5.2	-179.2	-57.1	-63.1	-48	0	0	113.1	K137 G139 R140 Y144 W145 K146	K137-Q142 HydrophobicContact CB-CG 3.71Å; K137-Q142 WeakPolarHBondContact O-CB 3.3Å; G139-Q142 PolarHBondContact O-N 2.79Å; R140-Q142 PolarHBondContact O-N 3.2Å; Q142-Y144 VanDerWaalsContact C-N 3.27Å; Q142-Y144 PolarHBondContact O-N 3.49Å; Q142-W145 WeakPolarHBondContact O-CB 3.19Å; Q142-W145 PolarHBondContact O-N 3.36Å; Q142-W145 VanDerWaalsContact O-N 3.12Å; Q142-K146 PolarHBondContact O-N 3.28Å
143	L	94.6	Very high	94.9	Very high	56 Å²	56	57.9 Å²	57.9	29%	0.293	27%	0.27	S	S	.	.	H	α-helix	trans	-57.2	-40.3	-176.3	-68.5	175.6	0	0	0	112.2	M94 R140 K146 T147 E239	M94-L143 HydrophobicContact CE-CD2 4.44Å; M94-L143 WeakPolarHBondContact CE-O 3.45Å; M94-L143 HydrophobicContact CG-CD2 4.09Å; M94-L143 HydrophobicContact SD-CD2 4.21Å; R140-L143 HydrophobicContact CB-CD1 4.45Å; R140-L143 WeakPolarHBondContact O-CG 3.16Å; R140-L143 PolarHBondContact O-N 2.86Å; L143-K146 WeakPolarHBondContact O-CB 3.38Å; L143-K146 PolarHBondContact O-N 3.27Å; L143-T147 PolarHBondContact O-N 3.36Å; L143-T147 PolarHBondContact O-OG1 3.28Å; L143-E239 HydrophobicContact CB-CB 3.84Å; L143-E239 HydrophobicContact CB-CG 4.01Å
144	Y	96.9	Very high	95	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-37.1	179.1	-166.6	-135.8	0	0	0	113.1	Q142 K146 T147 I148 F223 H234 E239 A242 L243	Q142-Y144 VanDerWaalsContact C-N 3.27Å; Q142-Y144 PolarHBondContact O-N 3.49Å; Y144-K146 VanDerWaalsContact C-N 3.28Å; Y144-K146 PolarHBondContact O-N 3.35Å; Y144-T147 HydrophobicContact CD2-CG2 4.49Å; Y144-T147 PolarHBondContact O-N 2.98Å; Y144-I148 HydrophobicContact CD1-CD1 3.87Å; Y144-I148 HydrophobicContact CD2-CG1 4.36Å; Y144-I148 HydrophobicContact CE1-CD1 3.76Å; Y144-I148 HydrophobicContact CE1-CG1 4.32Å; Y144-I148 HydrophobicContact CE2-CD1 4.45Å; Y144-I148 HydrophobicContact CE2-CG1 4.14Å; Y144-I148 HydrophobicContact CG-CD1 4.26Å; Y144-I148 VanDerWaalsContact O-CG1 3.25Å; Y144-I148 WeakPolarHBondContact O-CG1 3.25Å; Y144-I148 PolarHBondContact O-N 2.86Å; Y144-F223 HydrophobicContact CE2-CZ 4.41Å; Y144-H234 HydrophobicContact CD1-CB 4.42Å; Y144-H234 AromaticContact CD1-CD2 3.73Å; Y144-H234 AromaticContact CD1-CG 3.96Å; Y144-E239 HydrophobicContact CD2-CG 4.32Å; Y144-A242 HydrophobicContact CD1-CB 3.45Å; Y144-A242 VanDerWaalsContact CD1-CB 3.45Å; Y144-A242 HydrophobicContact CD2-CB 3.83Å; Y144-A242 HydrophobicContact CE1-CB 3.31Å; Y144-A242 HydrophobicContact CE2-CB 3.73Å; Y144-A242 HydrophobicContact CG-CB 3.71Å; Y144-A242 VanDerWaalsContact CZ-CB 3.45Å; Y144-A242 PolarHBondContact OH-O 2.72Å; Y144-L243 HydrophobicContact CE2-CB 4.08Å
145	W	96.3	Very high	95.1	Very high	109 Å²	109	58 Å²	58	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-58.6	-42.2	169.8	-85.4	118.3	0	0	0	111.9	T136 Q142 I148 K149 H234	T136-W145 HydrophobicContact CG2-CB 4.25Å; Q142-W145 WeakPolarHBondContact O-CB 3.19Å; Q142-W145 PolarHBondContact O-N 3.36Å; Q142-W145 VanDerWaalsContact O-N 3.12Å; W145-I148 HydrophobicContact CE3-CD1 4.29Å; W145-I148 PolarHBondContact O-N 3.3Å; W145-K149 WeakPolarHBondContact O-CB 3.49Å; W145-K149 WeakPolarHBondContact O-CG 3.14Å; W145-K149 PolarHBondContact O-N 2.94Å; W145-H234 AromaticContact CD1-CD2 3.25Å; W145-H234 AromaticContact CD1-NE2 3.4Å; W145-H234 AromaticContact CD2-CD2 3.72Å; W145-H234 AromaticContact CE2-CD2 3.52Å; W145-H234 AromaticContact CE2-CG 3.94Å; W145-H234 AromaticContact CG-CD2 3.56Å; W145-H234 HydrophobicContact CH2-CB 4.46Å; W145-H234 HydrophobicContact CZ2-CB 3.92Å; W145-H234 AromaticContact NE1-CD2 3.2Å; W145-H234 PolarHBondContact NE1-CD2 2.98Å; W145-H234 AromaticContact NE1-CG 3.74Å; W145-H234 AromaticContact NE1-NE2 3.66Å
146	K	97.3	Very high	95.3	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-45.5	174.3	-71.8	176.6	78.1	164.6	0	111.4	M94 T95 L134 T136 E138 Q142 L143 Y144 I148 K149 A150	M94-K146 HydrophobicContact CE-CB 3.69Å; M94-K146 HydrophobicContact SD-CB 3.5Å; M94-K146 WeakPolarHBondContact SD-CB 3.41Å; M94-K146 HydrophobicContact SD-CD 3.94Å; M94-K146 HydrophobicContact SD-CG 4.28Å; T95-K146 PolarHBondContact O-NZ 3.18Å; L134-K146 HydrophobicContact CD1-CB 4.06Å; L134-K146 HydrophobicContact CD1-CG 4.32Å; L134-K146 WeakPolarHBondContact CD1-O 3.38Å; T136-K146 HydrophobicContact CG2-CG 4.27Å; T136-K146 WeakPolarHBondContact OG1-CG 3.23Å; E138-K146 IonicContact OE1-NZ 2.69Å; E138-K146 PolarHBondContact OE1-NZ 2.88Å; E138-K146 IonicContact OE2-NZ 3.82Å; E138-K146 PolarHBondContact OE2-NZ 3.08Å; E138-K146 VanDerWaalsContact OE2-NZ 3.13Å; Q142-K146 PolarHBondContact O-N 3.28Å; L143-K146 WeakPolarHBondContact O-CB 3.38Å; L143-K146 PolarHBondContact O-N 3.27Å; Y144-K146 VanDerWaalsContact C-N 3.28Å; Y144-K146 PolarHBondContact O-N 3.35Å; K146-I148 PolarHBondContact O-N 2.82Å; K146-K149 PolarHBondContact O-N 2.98Å; K146-A150 WeakPolarHBondContact O-CB 3.28Å; K146-A150 PolarHBondContact O-N 3.09Å
147	T	98.1	Very high	95.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-47.3	176	-67.7	0	0	0	0	112	W92 M94 L143 Y144 K149 A150 F151 E239 L243	W92-T147 HydrophobicContact CH2-CG2 4.4Å; W92-T147 HydrophobicContact CZ2-CG2 4.29Å; M94-T147 WeakPolarHBondContact CE-OG1 3.25Å; L143-T147 PolarHBondContact O-N 3.36Å; L143-T147 PolarHBondContact O-OG1 3.28Å; Y144-T147 HydrophobicContact CD2-CG2 4.49Å; Y144-T147 PolarHBondContact O-N 2.98Å; T147-K149 VanDerWaalsContact C-N 3.34Å; T147-K149 PolarHBondContact O-N 3.44Å; T147-A150 PolarHBondContact O-N 3.28Å; T147-F151 HydrophobicContact CG2-CD2 3.58Å; T147-F151 HydrophobicContact CG2-CE2 3.67Å; T147-F151 WeakPolarHBondContact O-CD2 3.44Å; T147-F151 PolarHBondContact O-N 2.9Å; T147-E239 WeakPolarHBondContact CB-OE1 3.17Å; T147-E239 VanDerWaalsContact CG2-OE1 3.28Å; T147-E239 WeakPolarHBondContact CG2-OE1 3.35Å; T147-E239 WeakPolarHBondContact OG1-CG 3.48Å; T147-E239 PolarHBondContact OG1-OE1 3.28Å; T147-L243 HydrophobicContact CG2-CD1 3.74Å
148	I	97.8	Very high	95.8	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-49.4	178.6	-66.5	163.2	0	0	0	109.9	Y144 W145 K146 Q152 F223 F227	Y144-I148 HydrophobicContact CD1-CD1 3.87Å; Y144-I148 HydrophobicContact CD2-CG1 4.36Å; Y144-I148 HydrophobicContact CE1-CD1 3.76Å; Y144-I148 HydrophobicContact CE1-CG1 4.32Å; Y144-I148 HydrophobicContact CE2-CD1 4.45Å; Y144-I148 HydrophobicContact CE2-CG1 4.14Å; Y144-I148 HydrophobicContact CG-CD1 4.26Å; Y144-I148 VanDerWaalsContact O-CG1 3.25Å; Y144-I148 WeakPolarHBondContact O-CG1 3.25Å; Y144-I148 PolarHBondContact O-N 2.86Å; W145-I148 HydrophobicContact CE3-CD1 4.29Å; W145-I148 PolarHBondContact O-N 3.3Å; K146-I148 PolarHBondContact O-N 2.82Å; I148-Q152 WeakPolarHBondContact O-CB 3.36Å; I148-Q152 VanDerWaalsContact O-CG 3.23Å; I148-Q152 WeakPolarHBondContact O-CG 3.16Å; I148-Q152 PolarHBondContact O-N 2.78Å; I148-F223 HydrophobicContact CG1-CZ 4.29Å; I148-F227 HydrophobicContact CD1-CD1 4.39Å; I148-F227 HydrophobicContact CD1-CE1 3.5Å; I148-F227 HydrophobicContact CD1-CZ 3.78Å; I148-F227 HydrophobicContact CG1-CE1 3.78Å; I148-F227 HydrophobicContact CG1-CE2 4.25Å; I148-F227 HydrophobicContact CG1-CZ 3.59Å; I148-F227 HydrophobicContact CG2-CD1 4.2Å; I148-F227 HydrophobicContact CG2-CE1 4.2Å; I148-F227 HydrophobicContact CG2-CG 4.37Å; I148-F227 HydrophobicContact CG2-CZ 4.41Å
149	K	97.9	Very high	96.1	Very high	87 Å²	87	51.7 Å²	51.7	38%	0.378	24%	0.236	S	C	.	.	H	α-helix	trans	-68	-39.5	-179.3	-69.2	-63.5	-178.8	-169	0	112.9	L134 T136 W145 K146 T147 Q152 Y153	L134-K149 HydrophobicContact CB-CB 4.11Å; L134-K149 HydrophobicContact CD1-CB 4.23Å; L134-K149 HydrophobicContact CD2-CB 4.04Å; L134-K149 HydrophobicContact CG-CB 4.37Å; T136-K149 HydrophobicContact CG2-CB 4.46Å; T136-K149 HydrophobicContact CG2-CG 3.95Å; W145-K149 WeakPolarHBondContact O-CB 3.49Å; W145-K149 WeakPolarHBondContact O-CG 3.14Å; W145-K149 PolarHBondContact O-N 2.94Å; K146-K149 PolarHBondContact O-N 2.98Å; T147-K149 VanDerWaalsContact C-N 3.34Å; T147-K149 PolarHBondContact O-N 3.44Å; K149-Q152 PolarHBondContact O-N 3.03Å; K149-Y153 WeakPolarHBondContact O-CB 3.2Å; K149-Y153 PolarHBondContact O-N 3.39Å
150	A	98.5	Very high	96.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-50.4	175.9	0	0	0	0	0	111	W92 M121 L134 K146 T147 Y153 V154	W92-A150 HydrophobicContact CD2-CB 4.05Å; W92-A150 HydrophobicContact CE3-CB 3.92Å; W92-A150 HydrophobicContact CH2-CB 3.99Å; W92-A150 HydrophobicContact CZ2-CB 4.12Å; W92-A150 HydrophobicContact CZ3-CB 3.9Å; M121-A150 HydrophobicContact CB-CB 4.31Å; M121-A150 HydrophobicContact CE-CB 4.25Å; M121-A150 HydrophobicContact CG-CB 3.82Å; M121-A150 HydrophobicContact SD-CB 4.22Å; L134-A150 HydrophobicContact CD1-CB 4.12Å; K146-A150 WeakPolarHBondContact O-CB 3.28Å; K146-A150 PolarHBondContact O-N 3.09Å; T147-A150 PolarHBondContact O-N 3.28Å; A150-Y153 PolarHBondContact O-N 3.42Å; A150-V154 WeakPolarHBondContact O-CB 3.28Å; A150-V154 VanDerWaalsContact O-CG2 3.25Å; A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 2.94Å
151	F	98.6	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-34.1	179.1	-79.6	-53.8	0	0	0	113.2	W92 T147 H155 F165 K167 Y213 L215 L220 F223 L243	W92-F151 AromaticContact CD1-CE1 3.92Å; W92-F151 AromaticContact CE2-CE1 3.97Å; W92-F151 AromaticContact CE2-CZ 3.82Å; W92-F151 HydrophobicContact CZ2-CD2 4.11Å; W92-F151 HydrophobicContact CZ2-CE1 4.33Å; W92-F151 AromaticContact CZ2-CE2 3.66Å; W92-F151 HydrophobicContact CZ2-CE2 3.66Å; W92-F151 AromaticContact CZ2-CZ 3.78Å; W92-F151 HydrophobicContact CZ2-CZ 3.78Å; W92-F151 AromaticContact NE1-CD1 3.62Å; W92-F151 AromaticContact NE1-CE1 3.04Å; W92-F151 AromaticContact NE1-CE2 3.99Å; W92-F151 AromaticContact NE1-CZ 3.25Å; T147-F151 HydrophobicContact CG2-CD2 3.58Å; T147-F151 HydrophobicContact CG2-CE2 3.67Å; T147-F151 WeakPolarHBondContact O-CD2 3.44Å; T147-F151 PolarHBondContact O-N 2.9Å; F151-H155 WeakPolarHBondContact O-CB 3.17Å; F151-H155 PolarHBondContact O-N 3.35Å; F151-F165 HydrophobicContact CE1-CB 4.31Å; F151-K167 HydrophobicContact CZ-CB 4.31Å; F151-Y213 AromaticContact CE2-CE2 3.9Å; F151-Y213 HydrophobicContact CE2-CE2 3.9Å; F151-Y213 AromaticContact CZ-CE2 3.84Å; F151-Y213 HydrophobicContact CZ-CE2 3.84Å; F151-L215 HydrophobicContact CE1-CD2 4.01Å; F151-L215 HydrophobicContact CE2-CD2 4.21Å; F151-L215 HydrophobicContact CZ-CD1 4.02Å; F151-L215 HydrophobicContact CZ-CD2 3.86Å; F151-L220 HydrophobicContact CB-CD1 3.75Å; F151-L220 HydrophobicContact CD1-CD1 3.46Å; F151-L220 VanDerWaalsContact CD1-CD1 3.46Å; F151-L220 HydrophobicContact CE1-CD1 4.3Å; F151-L220 HydrophobicContact CG-CD1 3.88Å; F151-F223 HydrophobicContact CB-CD1 3.93Å; F151-F223 HydrophobicContact CB-CE1 3.85Å; F151-F223 HydrophobicContact CD2-CD1 4.22Å; F151-F223 AromaticContact CD2-CE1 3.88Å; F151-F223 HydrophobicContact CD2-CE1 3.88Å; F151-F223 HydrophobicContact CD2-CZ 4.4Å; F151-F223 HydrophobicContact CG-CD1 4.34Å; F151-F223 HydrophobicContact CG-CE1 4.27Å; F151-L243 HydrophobicContact CD2-CD1 4.31Å; F151-L243 HydrophobicContact CE2-CD1 3.72Å
152	Q	98.4	Very high	97.7	Very high	51 Å²	51	45.8 Å²	45.8	24%	0.238	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-46.8	170.3	-76.5	173.8	-7.4	0	0	111.3	I148 K149 H155 E156 V224	I148-Q152 WeakPolarHBondContact O-CB 3.36Å; I148-Q152 VanDerWaalsContact O-CG 3.23Å; I148-Q152 WeakPolarHBondContact O-CG 3.16Å; I148-Q152 PolarHBondContact O-N 2.78Å; K149-Q152 PolarHBondContact O-N 3.03Å; Q152-H155 PolarHBondContact O-N 3.49Å; Q152-E156 WeakPolarHBondContact O-CB 3.22Å; Q152-E156 PolarHBondContact O-N 3.19Å; Q152-V224 HydrophobicContact CG-CG2 4.49Å
153	Y	98.6	Very high	97.9	Very high	70 Å²	70	45.2 Å²	45.2	28%	0.275	21%	0.206	S	C	.	.	H	α-helix	trans	-63.8	-45.8	178.3	-175	-89.3	0	0	0	112.3	L119 M121 V132 K149 A150 H155 E156 H157 Y158	L119-Y153 HydrophobicContact CD1-CD1 4.41Å; L119-Y153 HydrophobicContact CD1-CE1 4.38Å; M121-Y153 HydrophobicContact CE-CD1 4.03Å; V132-Y153 HydrophobicContact CB-CE1 4.38Å; V132-Y153 HydrophobicContact CG1-CD1 4.03Å; V132-Y153 HydrophobicContact CG1-CD2 3.97Å; V132-Y153 HydrophobicContact CG1-CE1 3.73Å; V132-Y153 HydrophobicContact CG1-CE2 3.7Å; V132-Y153 HydrophobicContact CG1-CG 4.13Å; V132-Y153 HydrophobicContact CG2-CE1 3.78Å; K149-Y153 WeakPolarHBondContact O-CB 3.2Å; K149-Y153 PolarHBondContact O-N 3.39Å; A150-Y153 PolarHBondContact O-N 3.42Å; Y153-H155 VanDerWaalsContact C-N 3.35Å; Y153-H155 PolarHBondContact O-N 3.27Å; Y153-E156 PolarHBondContact O-N 3.15Å; Y153-H157 AromaticContact CD1-CD2 3.98Å; Y153-H157 AromaticContact CD2-CD2 3.43Å; Y153-H157 VanDerWaalsContact CD2-CD2 3.43Å; Y153-H157 WeakPolarHBondContact CD2-CD2 3.37Å; Y153-H157 AromaticContact CD2-NE2 3.67Å; Y153-H157 AromaticContact CE1-CD2 3.86Å; Y153-H157 AromaticContact CE2-CD2 3.26Å; Y153-H157 WeakPolarHBondContact CE2-CD2 3.5Å; Y153-H157 AromaticContact CE2-NE2 3.49Å; Y153-H157 WeakPolarHBondContact CE2-NE2 3.45Å; Y153-H157 AromaticContact CG-CD2 3.78Å; Y153-H157 AromaticContact CZ-CD2 3.49Å; Y153-H157 VanDerWaalsContact CZ-CD2 3.49Å; Y153-H157 PolarHBondContact O-CD2 2.99Å; Y153-H157 PolarHBondContact O-N 3.48Å; Y153-Y158 HydrophobicContact CD1-CE2 4.32Å; Y153-Y158 HydrophobicContact CE1-CD2 4.34Å; Y153-Y158 AromaticContact CE1-CE2 3.68Å; Y153-Y158 HydrophobicContact CE1-CE2 3.68Å
154	V	98.7	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-46	175.6	170.2	0	0	0	0	110.8	L90 W92 L119 M121 A150 E156 Y158 L159 F165 L220	L90-V154 HydrophobicContact CD1-CG1 4.32Å; L90-V154 HydrophobicContact CD2-CG1 4.03Å; L90-V154 HydrophobicContact CD2-CG2 3.99Å; W92-V154 HydrophobicContact CB-CG2 4.46Å; L119-V154 HydrophobicContact CD1-CG2 3.92Å; M121-V154 HydrophobicContact CE-CG2 3.64Å; A150-V154 WeakPolarHBondContact O-CB 3.28Å; A150-V154 VanDerWaalsContact O-CG2 3.25Å; A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 2.94Å; V154-E156 VanDerWaalsContact C-N 3.35Å; V154-E156 PolarHBondContact O-N 3.08Å; V154-Y158 CarbonylContact O-C 3.58Å; V154-Y158 WeakPolarHBondContact O-CA 3.4Å; V154-Y158 WeakPolarHBondContact O-CB 3.38Å; V154-Y158 PolarHBondContact O-N 3.03Å; V154-L159 PolarHBondContact O-N 3.42Å; V154-F165 HydrophobicContact CG1-CD1 3.29Å; V154-F165 HydrophobicContact CG1-CE1 3.58Å; V154-F165 HydrophobicContact CG1-CG 4.28Å; V154-L220 HydrophobicContact CG1-CD2 3.86Å
155	H	98.6	Very high	98.3	Very high	42 Å²	42	42.8 Å²	42.8	19%	0.194	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-39.9	177.3	177.9	-62.6	0	0	0	112.1	F151 Q152 Y153 L159 L220 V224	F151-H155 WeakPolarHBondContact O-CB 3.17Å; F151-H155 PolarHBondContact O-N 3.35Å; Q152-H155 PolarHBondContact O-N 3.49Å; Y153-H155 VanDerWaalsContact C-N 3.35Å; Y153-H155 PolarHBondContact O-N 3.27Å; H155-L159 WeakPolarHBondContact O-CB 3.28Å; H155-L220 HydrophobicContact CB-CD1 4.42Å; H155-L220 HydrophobicContact CB-CD2 4.32Å; H155-L220 HydrophobicContact CB-CG 4.29Å; H155-V224 HydrophobicContact CB-CB 4.47Å; H155-V224 HydrophobicContact CB-CG2 3.74Å
156	E	98.3	Very high	98.4	Very high	142 Å²	142	37.6 Å²	37.6	66%	0.664	17%	0.173	S	C	*	.	H	α-helix	trans	-70.2	-37.5	-177.8	-171.5	175.9	161.7	0	0	112.6	Q152 Y153 V154	Q152-E156 WeakPolarHBondContact O-CB 3.22Å; Q152-E156 PolarHBondContact O-N 3.19Å; Y153-E156 PolarHBondContact O-N 3.15Å; V154-E156 VanDerWaalsContact C-N 3.35Å; V154-E156 PolarHBondContact O-N 3.08Å
157	H	98.4	Very high	98.4	Very high	93 Å²	93	37.7 Å²	37.7	43%	0.431	17%	0.173	S	C	.	.	H	α-helix	trans	-113	-21.7	-168.8	-59	-48.2	0	0	0	115.1	Y153	Y153-H157 AromaticContact CD1-CD2 3.98Å; Y153-H157 AromaticContact CD2-CD2 3.43Å; Y153-H157 VanDerWaalsContact CD2-CD2 3.43Å; Y153-H157 WeakPolarHBondContact CD2-CD2 3.37Å; Y153-H157 AromaticContact CD2-NE2 3.67Å; Y153-H157 AromaticContact CE1-CD2 3.86Å; Y153-H157 AromaticContact CE2-CD2 3.26Å; Y153-H157 WeakPolarHBondContact CE2-CD2 3.5Å; Y153-H157 AromaticContact CE2-NE2 3.49Å; Y153-H157 WeakPolarHBondContact CE2-NE2 3.45Å; Y153-H157 AromaticContact CG-CD2 3.78Å; Y153-H157 AromaticContact CZ-CD2 3.49Å; Y153-H157 VanDerWaalsContact CZ-CD2 3.49Å; Y153-H157 PolarHBondContact O-CD2 2.99Å; Y153-H157 PolarHBondContact O-N 3.48Å
158	Y	98.3	Very high	98.5	Very high	56 Å²	56	37.7 Å²	37.7	22%	0.22	17%	0.173	C	C	.	.	H	α-helix	trans	-134.8	9.1	-167.7	-61	-85.9	0	0	0	114.5	L90 L119 Y153 V154 E160 D161	L90-Y158 HydrophobicContact CD1-CD1 4.06Å; L90-Y158 HydrophobicContact CD1-CG 3.74Å; L119-Y158 HydrophobicContact CD1-CD2 3.7Å; L119-Y158 HydrophobicContact CD1-CE2 3.74Å; L119-Y158 HydrophobicContact CD1-CG 4.31Å; L119-Y158 HydrophobicContact CD2-CE1 4.4Å; L119-Y158 HydrophobicContact CD2-CE2 3.99Å; Y153-Y158 HydrophobicContact CD1-CE2 4.32Å; Y153-Y158 HydrophobicContact CE1-CD2 4.34Å; Y153-Y158 AromaticContact CE1-CE2 3.68Å; Y153-Y158 HydrophobicContact CE1-CE2 3.68Å; V154-Y158 CarbonylContact O-C 3.58Å; V154-Y158 WeakPolarHBondContact O-CA 3.4Å; V154-Y158 WeakPolarHBondContact O-CB 3.38Å; V154-Y158 PolarHBondContact O-N 3.03Å; Y158-E160 PolarHBondContact O-N 3.31Å; Y158-D161 WeakPolarHBondContact CD1-OD2 3.25Å; Y158-D161 PolarHBondContact O-N 3.05Å; Y158-D161 VanDerWaalsContact O-N 3.11Å
159	L	98.5	Very high	98.5	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.11	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.5	-177	-176	65.5	0	0	0	113.4	V154 H155 F165 K217 L220 K221	V154-L159 PolarHBondContact O-N 3.42Å; H155-L159 WeakPolarHBondContact O-CB 3.28Å; L159-F165 HydrophobicContact CD1-CE2 4.25Å; L159-F165 HydrophobicContact CD1-CZ 4.05Å; L159-K217 HydrophobicContact CD1-CD 4.49Å; L159-K217 HydrophobicContact CD1-CG 3.75Å; L159-K217 HydrophobicContact CG-CG 4.37Å; L159-K217 WeakPolarHBondContact O-CE 3.5Å; L159-L220 HydrophobicContact CD1-CD2 3.89Å; L159-L220 HydrophobicContact CD1-CG 4.37Å; L159-K221 HydrophobicContact CD1-CG 4.21Å; L159-K221 HydrophobicContact CD2-CG 4.1Å
160	E	98.2	Very high	98.4	Very high	128 Å²	128	35.2 Å²	35.2	60%	0.598	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-13.1	-178.3	-59.1	-53.2	134.7	0	0	113.4	R88 Y158 A162	R88-E160 PolarHBondContact NH1-O 2.99Å; R88-E160 VanDerWaalsContact NH1-O 3.12Å; Y158-E160 PolarHBondContact O-N 3.31Å; E160-A162 VanDerWaalsContact C-N 3.33Å
161	D	98	Very high	98.3	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.353	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21	-178	-77.1	-22.1	0	0	0	112.9	R88 K117 Y158	R88-D161 PolarHBondContact NH1-O 3.35Å; K117-D161 HydrophobicContact CG-CB 4.36Å; Y158-D161 WeakPolarHBondContact CD1-OD2 3.25Å; Y158-D161 PolarHBondContact O-N 3.05Å; Y158-D161 VanDerWaalsContact O-N 3.11Å
162	A	98.5	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.171	C	C	.	.			trans	-142.5	163.5	-177.4	0	0	0	0	0	112.3	R88 L90 E160 F165 K217	R88-A162 HydrophobicContact CB-CB 4.48Å; L90-A162 HydrophobicContact CB-CB 3.61Å; E160-A162 VanDerWaalsContact C-N 3.33Å; A162-F165 HydrophobicContact CB-CE1 4.12Å; A162-F165 HydrophobicContact CB-CZ 4.26Å; A162-K217 WeakPolarHBondContact O-CE 3.4Å
163	D	98.5	Very high	98.3	Very high	23 Å²	23	34.1 Å²	34.1	12%	0.123	16%	0.16	C	C	.	.	S	Bend	trans	-103.5	-23.5	177.9	-58.3	-50.8	0	0	0	111.7	R88 P188 K217	R88-D163 IonicContact CZ-OD1 2.9Å; R88-D163 IonicContact CZ-OD2 3.3Å; R88-D163 IonicContact NE-OD1 2.74Å; R88-D163 IonicContact NE-OD2 3.74Å; R88-D163 PolarHBondContact NE-OD2 3.43Å; R88-D163 IonicContact NH2-OD1 3.94Å; R88-D163 PolarHBondContact NH2-OD1 3.01Å; R88-D163 IonicContact NH2-OD2 2.59Å; R88-D163 PolarHBondContact NH2-OD2 2.68Å; R88-D163 PolarHBondContact O-N 3.22Å; D163-P188 HydrophobicContact CB-CB 3.88Å; D163-P188 HydrophobicContact CB-CG 3.96Å; D163-P188 VanDerWaalsContact O-CB 3.26Å; D163-P188 WeakPolarHBondContact O-CB 3.47Å; D163-K217 PolarHBondContact O-N 2.86Å; D163-K217 VanDerWaalsContact O-N 3.14Å; D163-K217 IonicContact OD1-NZ 3.44Å; D163-K217 PolarHBondContact OD1-NZ 2.95Å
164	W	98.9	Very high	98.4	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.019	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.3	-178.3	-60.6	94.7	0	0	0	110.6	R88 I89 L90 L183 P188 I192 F194 V214	R88-W164 PolarHBondContact O-N 3.18Å; R88-W164 VanDerWaalsContact O-N 3.11Å; I89-W164 WeakPolarHBondContact CA-O 3.48Å; I89-W164 HydrophobicContact CG1-CB 4.1Å; L90-W164 PolarHBondContact N-O 3.23Å; W164-L183 HydrophobicContact CB-CD1 3.95Å; W164-L183 HydrophobicContact CD2-CB 4.24Å; W164-L183 HydrophobicContact CD2-CD1 3.83Å; W164-L183 HydrophobicContact CD2-CD2 3.83Å; W164-L183 HydrophobicContact CD2-CG 4.18Å; W164-L183 HydrophobicContact CE3-CD1 4.26Å; W164-L183 HydrophobicContact CE3-CD2 3.6Å; W164-L183 HydrophobicContact CE3-CG 4.42Å; W164-L183 HydrophobicContact CG-CD1 3.69Å; W164-L183 HydrophobicContact CG-CG 4.49Å; W164-L183 HydrophobicContact CH2-CD2 3.99Å; W164-L183 HydrophobicContact CZ2-CB 4.2Å; W164-L183 HydrophobicContact CZ2-CD2 4.19Å; W164-L183 HydrophobicContact CZ3-CD2 3.69Å; W164-P188 HydrophobicContact CD2-CB 4.49Å; W164-P188 HydrophobicContact CZ2-CB 4.11Å; W164-I192 HydrophobicContact CH2-CG2 4.18Å; W164-I192 HydrophobicContact CZ3-CG2 4.22Å; W164-F194 AromaticContact CH2-CE2 3.92Å; W164-F194 HydrophobicContact CH2-CE2 3.92Å; W164-F194 HydrophobicContact CZ3-CD2 4.14Å; W164-F194 AromaticContact CZ3-CE2 3.74Å; W164-F194 HydrophobicContact CZ3-CE2 3.74Å; W164-V214 HydrophobicContact CB-CG2 3.88Å; W164-V214 HydrophobicContact CE3-CG2 4.11Å
165	F	98.9	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	100.8	-172.8	-59	-85.4	0	0	0	110.1	L90 F151 V154 L159 A162 V214 L215 K217 L220	L90-F165 HydrophobicContact CB-CD1 3.99Å; L90-F165 HydrophobicContact CB-CE1 4.26Å; L90-F165 HydrophobicContact CD2-CD1 4.36Å; L90-F165 WeakPolarHBondContact O-CA 3.13Å; F151-F165 HydrophobicContact CE1-CB 4.31Å; V154-F165 HydrophobicContact CG1-CD1 3.29Å; V154-F165 HydrophobicContact CG1-CE1 3.58Å; V154-F165 HydrophobicContact CG1-CG 4.28Å; L159-F165 HydrophobicContact CD1-CE2 4.25Å; L159-F165 HydrophobicContact CD1-CZ 4.05Å; A162-F165 HydrophobicContact CB-CE1 4.12Å; A162-F165 HydrophobicContact CB-CZ 4.26Å; F165-V214 WeakPolarHBondContact O-CA 3.31Å; F165-L215 PolarHBondContact N-O 3.22Å; F165-L215 PolarHBondContact O-N 3.21Å; F165-K217 HydrophobicContact CE2-CB 4.06Å; F165-K217 HydrophobicContact CE2-CG 4.09Å; F165-L220 HydrophobicContact CB-CD2 4.33Å; F165-L220 HydrophobicContact CD1-CD2 3.71Å; F165-L220 HydrophobicContact CD2-CB 4.06Å; F165-L220 HydrophobicContact CD2-CD2 3.6Å; F165-L220 HydrophobicContact CD2-CG 4.47Å; F165-L220 HydrophobicContact CE1-CD2 3.82Å; F165-L220 HydrophobicContact CE2-CB 4.49Å; F165-L220 HydrophobicContact CE2-CD2 3.76Å; F165-L220 HydrophobicContact CG-CD2 3.58Å; F165-L220 HydrophobicContact CZ-CD2 3.86Å
166	L	98.9	Very high	98.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128	-178.4	174.6	69.8	0	0	0	110.5	I89 L90 C91 W92 W111 V174 L179 V214	I89-L166 HydrophobicContact CG2-CB 4.01Å; L90-L166 PolarHBondContact O-N 3.27Å; C91-L166 HydrophobicContact CB-CD2 4.49Å; W92-L166 VanDerWaalsContact CD1-O 3.28Å; W92-L166 PolarHBondContact N-O 2.86Å; W111-L166 HydrophobicContact CZ3-CD2 4.45Å; L166-V174 HydrophobicContact CD2-CB 4.49Å; L166-V174 HydrophobicContact CD2-CG1 3.97Å; L166-V174 HydrophobicContact CD2-CG2 4.31Å; L166-L179 HydrophobicContact CD1-CD2 4.19Å; L166-L179 HydrophobicContact CD2-CD2 4.04Å; L166-V214 HydrophobicContact CD1-CB 4.24Å
167	K	98.8	Very high	98.3	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.2	161	-178.3	-91.1	-169	172.1	0	109.6	W92 F151 D169 G209 G212 Y213 E239	W92-K167 HydrophobicContact CD2-CB 4.34Å; W92-K167 HydrophobicContact CD2-CG 4.23Å; W92-K167 HydrophobicContact CE3-CG 4.29Å; W92-K167 HydrophobicContact CH2-CB 4.11Å; W92-K167 HydrophobicContact CH2-CD 4.34Å; W92-K167 HydrophobicContact CH2-CG 3.22Å; W92-K167 HydrophobicContact CZ2-CB 3.46Å; W92-K167 VanDerWaalsContact CZ2-CB 3.46Å; W92-K167 HydrophobicContact CZ2-CD 4.5Å; W92-K167 HydrophobicContact CZ2-CG 3.1Å; W92-K167 HydrophobicContact CZ3-CG 3.83Å; F151-K167 HydrophobicContact CZ-CB 4.31Å; K167-D169 WeakPolarHBondContact CE-OD1 3.43Å; K167-D169 IonicContact NZ-OD1 3.69Å; K167-D169 PolarHBondContact NZ-OD1 3.28Å; K167-D169 IonicContact NZ-OD2 2.84Å; K167-D169 PolarHBondContact NZ-OD2 3.21Å; K167-G209 PolarHBondContact NZ-O 3.17Å; K167-G212 WeakPolarHBondContact O-CA 3.21Å; K167-Y213 HydrophobicContact CB-CD2 4.07Å; K167-Y213 HydrophobicContact CB-CE1 4.22Å; K167-Y213 HydrophobicContact CB-CE2 3.57Å; K167-Y213 HydrophobicContact CD-CD1 4.32Å; K167-Y213 HydrophobicContact CD-CE1 3.65Å; K167-Y213 HydrophobicContact CG-CE1 4.13Å; K167-Y213 HydrophobicContact CG-CE2 4.18Å; K167-Y213 WeakPolarHBondContact CG-OH 3.35Å; K167-Y213 PolarHBondContact N-O 3.47Å; K167-Y213 PolarHBondContact O-N 3.1Å; K167-E239 IonicContact NZ-OE2 3.67Å; K167-E239 PolarHBondContact NZ-OE2 2.92Å
168	A	98.7	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.5	169.1	0	0	0	0	0	110.6	W92 V93 M94 W111 V174	W92-A168 PolarHBondContact O-N 2.89Å; W92-A168 VanDerWaalsContact O-N 3.12Å; V93-A168 CarbonylContact C-O 3.38Å; V93-A168 WeakPolarHBondContact CA-O 3.17Å; M94-A168 PolarHBondContact N-O 3.23Å; W111-A168 HydrophobicContact CH2-CB 3.66Å; W111-A168 HydrophobicContact CZ2-CB 3.97Å; A168-V174 HydrophobicContact CB-CG2 4.29Å
169	D	97.9	Very high	98.3	Very high	29 Å²	29	18.5 Å²	18.5	16%	0.155	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	163.9	170.7	-66	-19.6	0	0	0	110	M94 K167 D171 T172 G210 H309	M94-D169 WeakPolarHBondContact CB-OD1 3.36Å; K167-D169 WeakPolarHBondContact CE-OD1 3.43Å; K167-D169 IonicContact NZ-OD1 3.69Å; K167-D169 PolarHBondContact NZ-OD1 3.28Å; K167-D169 IonicContact NZ-OD2 2.84Å; K167-D169 PolarHBondContact NZ-OD2 3.21Å; D169-D171 WeakPolarHBondContact CB-OD1 3.5Å; D169-D171 PolarHBondContact O-N 3.01Å; D169-T172 PolarHBondContact N-OG1 3.05Å; D169-T172 PolarHBondContact O-N 3.16Å; D169-T172 VanDerWaalsContact O-N 3.14Å; D169-G210 WeakPolarHBondContact OD2-CA 2.99Å; D169-H309 IonicContact OD2-NE2 3.33Å
170	D	96.9	Very high	98.2	Very high	10 Å²	10	17.5 Å²	17.5	5%	0.053	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.6	-179.5	59.8	19.8	0	0	0	114.3	V93 M94 T95 N99 K103	V93-D170 HydrophobicContact CG1-CB 4.14Å; M94-D170 PolarHBondContact O-N 3.5Å; T95-D170 WeakPolarHBondContact CA-OD2 3.48Å; T95-D170 VanDerWaalsContact CB-OD2 3.32Å; T95-D170 WeakPolarHBondContact CB-OD2 3.47Å; T95-D170 PolarHBondContact OG1-OD2 2.59Å; N99-D170 WeakPolarHBondContact CB-OD2 3.22Å; N99-D170 PolarHBondContact ND2-OD2 2.85Å; K103-D170 HydrophobicContact CB-CB 3.88Å; K103-D170 HydrophobicContact CD-CB 4.36Å; K103-D170 WeakPolarHBondContact CD-OD1 3.32Å; K103-D170 IonicContact NZ-OD1 3.8Å
171	D	96.6	Very high	98.1	Very high	26 Å²	26	12.2 Å²	12.2	14%	0.139	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	31	170	52.6	13.7	0	0	0	112.4	K103 D169 H309 Y310 V311	K103-D171 HydrophobicContact CD-CB 4.49Å; K103-D171 IonicContact NZ-OD2 3.5Å; K103-D171 PolarHBondContact NZ-OD2 3.21Å; D169-D171 WeakPolarHBondContact CB-OD1 3.5Å; D169-D171 PolarHBondContact O-N 3.01Å; D171-H309 CarbonylContact O-C 3.55Å; D171-H309 IonicContact OD1-CD2 3.3Å; D171-H309 PolarHBondContact OD1-CD2 2.77Å; D171-H309 IonicContact OD1-NE2 3.93Å; D171-H309 PolarHBondContact OD1-NE2 3.31Å; D171-Y310 PolarHBondContact O-N 3.01Å; D171-V311 WeakPolarHBondContact CA-O 3.47Å; D171-V311 PolarHBondContact O-N 3.19Å
172	T	98.4	Very high	98.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.2	168.2	-49.2	0	0	0	0	110	W111 D169 V174 G210 F308	W111-T172 PolarHBondContact NE1-O 3.07Å; D169-T172 PolarHBondContact N-OG1 3.05Å; D169-T172 PolarHBondContact O-N 3.16Å; D169-T172 VanDerWaalsContact O-N 3.14Å; T172-V174 HydrophobicContact CG2-CG2 3.97Å; T172-G210 PolarHBondContact OG1-O 3.38Å; T172-F308 CarbonylContact C-O 3.57Å; T172-F308 WeakPolarHBondContact CA-O 3.18Å; T172-F308 WeakPolarHBondContact CG2-O 3.42Å
173	Y	98.6	Very high	98	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.6	166.6	-171.8	-92.3	0	0	0	110	W111 I175 S307 F308 M316 L319 E320 V323	W111-Y173 HydrophobicContact CB-CD2 4.22Å; W111-Y173 HydrophobicContact CB-CE2 3.87Å; W111-Y173 AromaticContact CD1-CD2 3.47Å; W111-Y173 VanDerWaalsContact CD1-CD2 3.47Å; W111-Y173 AromaticContact CD1-CE2 3.9Å; W111-Y173 HydrophobicContact CG-CD2 4.15Å; W111-Y173 HydrophobicContact CG-CE2 4.27Å; Y173-I175 HydrophobicContact CD1-CG1 4.16Å; Y173-I175 HydrophobicContact CE1-CG1 3.75Å; Y173-S307 WeakPolarHBondContact O-CA 3.25Å; Y173-S307 WeakPolarHBondContact O-CB 3.26Å; Y173-F308 PolarHBondContact N-O 3.21Å; Y173-F308 PolarHBondContact O-N 3.01Å; Y173-M316 HydrophobicContact CD2-CG 3.71Å; Y173-M316 HydrophobicContact CE2-CG 4.39Å; Y173-L319 HydrophobicContact CD1-CB 4.04Å; Y173-L319 HydrophobicContact CD1-CD1 4.11Å; Y173-L319 HydrophobicContact CD2-CB 4.21Å; Y173-L319 HydrophobicContact CE1-CB 4.11Å; Y173-L319 HydrophobicContact CE2-CB 4.29Å; Y173-L319 HydrophobicContact CG-CB 4.11Å; Y173-L319 HydrophobicContact CG-CD1 3.94Å; Y173-E320 HydrophobicContact CE2-CB 4.32Å; Y173-E320 WeakPolarHBondContact CE2-OE2 3.42Å; Y173-E320 WeakPolarHBondContact OH-CA 3.27Å; Y173-E320 PolarHBondContact OH-OE2 2.93Å; Y173-V323 HydrophobicContact CE1-CG2 4.43Å
174	V	98.9	Very high	97.9	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.4	-176.7	-169.1	0	0	0	0	111.5	W111 L166 A168 T172 L176 L179 V306	W111-V174 WeakPolarHBondContact CB-O 3.45Å; W111-V174 HydrophobicContact CD2-CB 4.1Å; W111-V174 HydrophobicContact CD2-CG2 4.34Å; W111-V174 HydrophobicContact CE3-CB 3.92Å; W111-V174 HydrophobicContact CE3-CG2 4.26Å; W111-V174 HydrophobicContact CH2-CG2 4.14Å; W111-V174 HydrophobicContact CZ2-CG2 4.19Å; W111-V174 HydrophobicContact CZ3-CB 4.22Å; W111-V174 HydrophobicContact CZ3-CG2 4.17Å; L166-V174 HydrophobicContact CD2-CB 4.49Å; L166-V174 HydrophobicContact CD2-CG1 3.97Å; L166-V174 HydrophobicContact CD2-CG2 4.31Å; A168-V174 HydrophobicContact CB-CG2 4.29Å; T172-V174 HydrophobicContact CG2-CG2 3.97Å; V174-L176 HydrophobicContact CB-CD2 3.87Å; V174-L176 HydrophobicContact CG1-CD2 3.8Å; V174-L176 WeakPolarHBondContact O-CD2 3.45Å; V174-L176 PolarHBondContact O-N 3.19Å; V174-L179 HydrophobicContact CG1-CD2 4.43Å; V174-V306 CarbonylContact C-O 3.45Å; V174-V306 VanDerWaalsContact CA-O 3.29Å; V174-V306 WeakPolarHBondContact CA-O 3.38Å; V174-V306 HydrophobicContact CG1-CG1 4.1Å; V174-V306 WeakPolarHBondContact CG1-O 3.29Å
175	I	98.6	Very high	97.7	Very high	13 Å²	13	12.5 Å²	12.5	7%	0.067	6%	0.063	C	C	.	.			trans	-89.6	89.3	176.2	-55.5	160.2	0	0	0	107.9	Y173 D177 N178 L179 A305 V306 V323	Y173-I175 HydrophobicContact CD1-CG1 4.16Å; Y173-I175 HydrophobicContact CE1-CG1 3.75Å; I175-D177 PolarHBondContact O-N 3.2Å; I175-N178 HydrophobicContact CB-CB 4.31Å; I175-N178 HydrophobicContact CG2-CB 4.02Å; I175-N178 WeakPolarHBondContact CG2-ND2 3.31Å; I175-N178 PolarHBondContact O-N 3.35Å; I175-L179 PolarHBondContact O-N 3.42Å; I175-L179 VanDerWaalsContact O-N 3.1Å; I175-A305 VanDerWaalsContact CD1-O 3.24Å; I175-A305 WeakPolarHBondContact CD1-O 3.31Å; I175-V306 PolarHBondContact N-O 2.83Å; I175-V323 HydrophobicContact CD1-CG1 4.34Å; I175-V323 HydrophobicContact CD1-CG2 4.02Å; I175-V323 HydrophobicContact CG1-CG1 4.18Å; I175-V323 HydrophobicContact CG1-CG2 4.33Å; I175-V323 HydrophobicContact CG2-CG1 4.06Å
176	L	98.6	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-30.6	-171.5	-90.7	-64.8	0	0	0	113.3	I89 W111 R114 V174 L179 R180	I89-L176 HydrophobicContact CB-CD1 4.4Å; I89-L176 HydrophobicContact CD1-CD1 3.9Å; I89-L176 HydrophobicContact CG2-CD1 4.12Å; W111-L176 HydrophobicContact CE3-CD2 3.63Å; W111-L176 HydrophobicContact CZ3-CD2 4.2Å; R114-L176 HydrophobicContact CB-CB 3.83Å; R114-L176 HydrophobicContact CB-CG 4.17Å; V174-L176 HydrophobicContact CB-CD2 3.87Å; V174-L176 HydrophobicContact CG1-CD2 3.8Å; V174-L176 WeakPolarHBondContact O-CD2 3.45Å; V174-L176 PolarHBondContact O-N 3.19Å; L176-L179 HydrophobicContact CD1-CD2 4.17Å; L176-L179 WeakPolarHBondContact O-CB 3.43Å; L176-L179 PolarHBondContact O-N 3.12Å; L176-R180 WeakPolarHBondContact O-CG 3.21Å; L176-R180 PolarHBondContact O-N 2.7Å
177	D	96.9	Very high	97.5	Very high	32 Å²	32	20 Å²	20	17%	0.171	10%	0.098	C	C	.	.	H	α-helix	trans	-70.2	-38.4	-179.4	-55.7	-45.2	0	0	0	111.6	I175 L179 R180 W181 Y324	I175-D177 PolarHBondContact O-N 3.2Å; D177-L179 VanDerWaalsContact C-N 3.35Å; D177-R180 PolarHBondContact O-N 3.45Å; D177-R180 IonicContact OD1-NH1 3.31Å; D177-R180 PolarHBondContact OD1-NH1 3.49Å; D177-W181 PolarHBondContact O-N 3.46Å; D177-Y324 VanDerWaalsContact OD2-CE1 3.23Å; D177-Y324 WeakPolarHBondContact OD2-CE1 3.44Å; D177-Y324 PolarHBondContact OD2-OH 2.91Å
178	N	97.3	Very high	97.5	Very high	30 Å²	30	21 Å²	21	16%	0.16	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-39.2	172	-67.7	-9.6	0	0	0	111	I175 R180 W181 L182 L304 A305 V306	I175-N178 HydrophobicContact CB-CB 4.31Å; I175-N178 HydrophobicContact CG2-CB 4.02Å; I175-N178 WeakPolarHBondContact CG2-ND2 3.31Å; I175-N178 PolarHBondContact O-N 3.35Å; N178-R180 PolarHBondContact O-N 2.71Å; N178-W181 PolarHBondContact O-N 2.82Å; N178-L182 PolarHBondContact O-N 3.32Å; N178-L304 HydrophobicContact CB-CB 4.43Å; N178-L304 WeakPolarHBondContact ND2-CA 3.49Å; N178-A305 PolarHBondContact ND2-O 3.19Å; N178-V306 HydrophobicContact CB-CG2 4.22Å
179	L	98.6	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-44.1	174.7	-177.7	53.4	0	0	0	111.4	I89 L166 V174 I175 L176 D177 W181 L182 L183 V214 F266 V306	I89-L179 HydrophobicContact CD1-CD2 4.06Å; I89-L179 HydrophobicContact CD1-CG 4.01Å; L166-L179 HydrophobicContact CD1-CD2 4.19Å; L166-L179 HydrophobicContact CD2-CD2 4.04Å; V174-L179 HydrophobicContact CG1-CD2 4.43Å; I175-L179 PolarHBondContact O-N 3.42Å; I175-L179 VanDerWaalsContact O-N 3.1Å; L176-L179 HydrophobicContact CD1-CD2 4.17Å; L176-L179 WeakPolarHBondContact O-CB 3.43Å; L176-L179 PolarHBondContact O-N 3.12Å; D177-L179 VanDerWaalsContact C-N 3.35Å; L179-W181 VanDerWaalsContact C-N 3.35Å; L179-W181 PolarHBondContact O-N 3.25Å; L179-L182 WeakPolarHBondContact O-CB 3.45Å; L179-L182 PolarHBondContact O-N 3.37Å; L179-L183 HydrophobicContact CD1-CD1 3.7Å; L179-L183 HydrophobicContact CD1-CD2 4.4Å; L179-L183 HydrophobicContact CD1-CG 3.82Å; L179-L183 HydrophobicContact CD2-CD1 4.37Å; L179-L183 HydrophobicContact CG-CD1 3.69Å; L179-L183 HydrophobicContact CG-CG 4.23Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 VanDerWaalsContact O-CG 3.26Å; L179-L183 WeakPolarHBondContact O-CG 3.26Å; L179-L183 PolarHBondContact O-N 3.03Å; L179-V214 HydrophobicContact CD1-CG1 4.18Å; L179-F266 HydrophobicContact CD1-CZ 3.91Å; L179-V306 HydrophobicContact CB-CG1 3.99Å; L179-V306 HydrophobicContact CB-CG2 4.38Å; L179-V306 HydrophobicContact CD1-CG1 4.04Å; L179-V306 HydrophobicContact CG-CG1 4.4Å
180	R	98	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-42.2	177	-72.4	178.2	178.3	102.5	8.9	112.4	L83 Y84 V87 I89 R114 N116 L176 D177 N178 L182 L183 S184	L83-R180 HydrophobicContact CB-CB 4.04Å; L83-R180 HydrophobicContact CD1-CB 4.44Å; Y84-R180 VanDerWaalsContact CD2-CZ 3.48Å; V87-R180 HydrophobicContact CB-CB 4.19Å; V87-R180 HydrophobicContact CB-CG 3.99Å; V87-R180 HydrophobicContact CG1-CB 4.32Å; V87-R180 HydrophobicContact CG1-CG 4.09Å; V87-R180 PolarHBondContact O-NE 2.87Å; I89-R180 HydrophobicContact CD1-CG 3.59Å; R114-R180 PolarHBondContact O-NH1 3.03Å; R114-R180 PolarHBondContact O-NH2 3.01Å; N116-R180 PolarHBondContact OD1-NH2 2.95Å; L176-R180 WeakPolarHBondContact O-CG 3.21Å; L176-R180 PolarHBondContact O-N 2.7Å; D177-R180 PolarHBondContact O-N 3.45Å; D177-R180 IonicContact OD1-NH1 3.31Å; D177-R180 PolarHBondContact OD1-NH1 3.49Å; N178-R180 PolarHBondContact O-N 2.71Å; R180-L182 VanDerWaalsContact C-N 3.31Å; R180-L182 PolarHBondContact O-N 3.17Å; R180-L183 PolarHBondContact O-N 3.03Å; R180-S184 WeakPolarHBondContact O-CB 3.44Å; R180-S184 PolarHBondContact O-N 3.38Å
181	W	95.5	Very high	97.6	Very high	16 Å²	16	30 Å²	30	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-57.1	-46.8	173.8	166	81.3	0	0	0	111.4	L83 D177 N178 L179 S184 D259 T260 L304 P337	L83-W181 HydrophobicContact CD1-CB 4.49Å; D177-W181 PolarHBondContact O-N 3.46Å; N178-W181 PolarHBondContact O-N 2.82Å; L179-W181 VanDerWaalsContact C-N 3.35Å; L179-W181 PolarHBondContact O-N 3.25Å; W181-S184 PolarHBondContact O-N 3.35Å; W181-S184 PolarHBondContact O-OG 3.12Å; W181-D259 HydrophobicContact CH2-CB 4.25Å; W181-T260 HydrophobicContact CZ2-CG2 4.35Å; W181-L304 HydrophobicContact CD2-CD1 3.72Å; W181-L304 HydrophobicContact CE3-CB 4.39Å; W181-L304 HydrophobicContact CE3-CD1 3.63Å; W181-L304 HydrophobicContact CG-CD1 4.42Å; W181-L304 HydrophobicContact CH2-CD1 3.87Å; W181-L304 HydrophobicContact CZ2-CD1 3.98Å; W181-L304 HydrophobicContact CZ3-CB 4.28Å; W181-L304 HydrophobicContact CZ3-CD1 3.71Å; W181-P337 HydrophobicContact CD2-CG 4.39Å; W181-P337 VanDerWaalsContact CE2-CG 3.42Å; W181-P337 HydrophobicContact CH2-CB 4.34Å; W181-P337 HydrophobicContact CH2-CG 4.18Å; W181-P337 HydrophobicContact CZ2-CB 3.37Å; W181-P337 HydrophobicContact CZ2-CG 3.3Å
182	L	97.1	Very high	97.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-50.9	177.9	-178.3	160.4	0	0	0	111.1	N178 L179 R180 S184 Y186 F194 S257 F266 V306	N178-L182 PolarHBondContact O-N 3.32Å; L179-L182 WeakPolarHBondContact O-CB 3.45Å; L179-L182 PolarHBondContact O-N 3.37Å; R180-L182 VanDerWaalsContact C-N 3.31Å; R180-L182 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 2.88Å; L182-Y186 HydrophobicContact CD2-CE2 4.36Å; L182-Y186 WeakPolarHBondContact O-CD2 3.46Å; L182-Y186 WeakPolarHBondContact O-CE2 3.36Å; L182-F194 HydrophobicContact CD2-CB 4.48Å; L182-F194 HydrophobicContact CD2-CD1 4.2Å; L182-F194 HydrophobicContact CD2-CD2 4.39Å; L182-F194 HydrophobicContact CD2-CG 4.11Å; L182-S257 WeakPolarHBondContact CD1-O 3.25Å; L182-F266 HydrophobicContact CD1-CE2 4.05Å; L182-V306 HydrophobicContact CD1-CG2 4.26Å
183	L	98.2	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-71.6	-26.2	-175.9	-66.1	176.2	0	0	0	113.5	V87 I89 W164 L179 R180 K185 Y186 F194 V214	V87-L183 HydrophobicContact CG1-CB 3.86Å; V87-L183 HydrophobicContact CG1-CD1 4.37Å; I89-L183 HydrophobicContact CD1-CD1 3.97Å; I89-L183 HydrophobicContact CG1-CD1 4.23Å; W164-L183 HydrophobicContact CB-CD1 3.95Å; W164-L183 HydrophobicContact CD2-CB 4.24Å; W164-L183 HydrophobicContact CD2-CD1 3.83Å; W164-L183 HydrophobicContact CD2-CD2 3.83Å; W164-L183 HydrophobicContact CD2-CG 4.18Å; W164-L183 HydrophobicContact CE3-CD1 4.26Å; W164-L183 HydrophobicContact CE3-CD2 3.6Å; W164-L183 HydrophobicContact CE3-CG 4.42Å; W164-L183 HydrophobicContact CG-CD1 3.69Å; W164-L183 HydrophobicContact CG-CG 4.49Å; W164-L183 HydrophobicContact CH2-CD2 3.99Å; W164-L183 HydrophobicContact CZ2-CB 4.2Å; W164-L183 HydrophobicContact CZ2-CD2 4.19Å; W164-L183 HydrophobicContact CZ3-CD2 3.69Å; L179-L183 HydrophobicContact CD1-CD1 3.7Å; L179-L183 HydrophobicContact CD1-CD2 4.4Å; L179-L183 HydrophobicContact CD1-CG 3.82Å; L179-L183 HydrophobicContact CD2-CD1 4.37Å; L179-L183 HydrophobicContact CG-CD1 3.69Å; L179-L183 HydrophobicContact CG-CG 4.23Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 VanDerWaalsContact O-CG 3.26Å; L179-L183 WeakPolarHBondContact O-CG 3.26Å; L179-L183 PolarHBondContact O-N 3.03Å; R180-L183 PolarHBondContact O-N 3.03Å; L183-K185 PolarHBondContact O-N 3.35Å; L183-Y186 PolarHBondContact O-N 3.06Å; L183-F194 HydrophobicContact CD2-CD2 3.62Å; L183-F194 HydrophobicContact CD2-CE2 3.87Å; L183-V214 HydrophobicContact CD1-CG2 4.06Å; L183-V214 HydrophobicContact CD2-CG1 3.99Å; L183-V214 HydrophobicContact CD2-CG2 4.47Å
184	S	96.3	Very high	97.8	Very high	19 Å²	19	29.1 Å²	29.1	13%	0.133	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.3	-179.1	72.7	0	0	0	0	114.6	R180 W181 L182 P340	R180-S184 WeakPolarHBondContact O-CB 3.44Å; R180-S184 PolarHBondContact O-N 3.38Å; W181-S184 PolarHBondContact O-N 3.35Å; W181-S184 PolarHBondContact O-OG 3.12Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 2.88Å; S184-P340 WeakPolarHBondContact O-CG 3.48Å
185	K	94.1	Very high	97.8	Very high	79 Å²	79	29.1 Å²	29.1	34%	0.343	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.6	-179	-55.7	172.7	-168	167.3	0	113.3	L183 P340	L183-K185 PolarHBondContact O-N 3.35Å; K185-P340 HydrophobicContact CG-CG 3.97Å
186	Y	96.5	Very high	97.7	Very high	74 Å²	74	28.6 Å²	28.6	29%	0.29	14%	0.141	S	C	.	.	S	Bend	trans	-121.3	154.7	-170.7	-60.2	-82.3	0	0	0	111.1	L182 L183 I192 F194 D256	L182-Y186 HydrophobicContact CD2-CE2 4.36Å; L182-Y186 WeakPolarHBondContact O-CD2 3.46Å; L182-Y186 WeakPolarHBondContact O-CE2 3.36Å; L183-Y186 PolarHBondContact O-N 3.06Å; Y186-I192 HydrophobicContact CD1-CD1 4.11Å; Y186-I192 HydrophobicContact CE1-CD1 4.16Å; Y186-F194 HydrophobicContact CD1-CE1 4.41Å; Y186-F194 AromaticContact CD1-CZ 3.69Å; Y186-F194 HydrophobicContact CD1-CZ 3.69Å; Y186-F194 HydrophobicContact CD2-CE1 4.08Å; Y186-F194 HydrophobicContact CD2-CE2 4.02Å; Y186-F194 AromaticContact CD2-CZ 3.42Å; Y186-F194 HydrophobicContact CD2-CZ 3.42Å; Y186-F194 VanDerWaalsContact CD2-CZ 3.42Å; Y186-F194 AromaticContact CE1-CE1 3.97Å; Y186-F194 HydrophobicContact CE1-CE1 3.97Å; Y186-F194 AromaticContact CE1-CZ 3.72Å; Y186-F194 HydrophobicContact CE1-CZ 3.72Å; Y186-F194 AromaticContact CE2-CE1 3.6Å; Y186-F194 HydrophobicContact CE2-CE1 3.6Å; Y186-F194 HydrophobicContact CE2-CE2 4.35Å; Y186-F194 AromaticContact CE2-CZ 3.44Å; Y186-F194 HydrophobicContact CE2-CZ 3.44Å; Y186-F194 VanDerWaalsContact CE2-CZ 3.44Å; Y186-F194 HydrophobicContact CG-CE1 4.45Å; Y186-F194 HydrophobicContact CG-CE2 4.17Å; Y186-F194 AromaticContact CG-CZ 3.53Å; Y186-F194 HydrophobicContact CG-CZ 3.53Å; Y186-F194 AromaticContact CZ-CE1 3.52Å; Y186-F194 AromaticContact CZ-CZ 3.58Å; Y186-D256 PolarHBondContact OH-O 3.01Å
187	D	97.4	Very high	97.7	Very high	84 Å²	84	30 Å²	30	45%	0.449	15%	0.146	S	C	.	.			trans	-89.5	122	173.8	-170.9	-19.8	0	0	0	109.8	E189 E190	D187-E189 PolarHBondContact O-N 3.01Å; D187-E189 PolarHBondContact OD1-N 3.12Å; D187-E190 HydrophobicContact CB-CG 4.09Å; D187-E190 WeakPolarHBondContact O-CB 3.48Å; D187-E190 PolarHBondContact O-N 3.36Å
188	P	98.4	Very high	97.8	Very high	24 Å²	24	28.7 Å²	28.7	16%	0.156	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.9	177.4	28.4	-37.7	0	0	0	114.4	D163 W164 E190 S216 K217 E218	D163-P188 HydrophobicContact CB-CB 3.88Å; D163-P188 HydrophobicContact CB-CG 3.96Å; D163-P188 VanDerWaalsContact O-CB 3.26Å; D163-P188 WeakPolarHBondContact O-CB 3.47Å; W164-P188 HydrophobicContact CD2-CB 4.49Å; W164-P188 HydrophobicContact CZ2-CB 4.11Å; P188-E190 VanDerWaalsContact C-N 3.33Å; P188-S216 VanDerWaalsContact O-CB 3.31Å; P188-S216 WeakPolarHBondContact O-CB 3.49Å; P188-K217 PolarHBondContact O-N 3.26Å; P188-K217 VanDerWaalsContact O-N 3.07Å; P188-E218 PolarHBondContact O-N 3.16Å; P188-E218 VanDerWaalsContact O-N 3.16Å
189	E	98.6	Very high	97.8	Very high	86 Å²	86	33.5 Å²	33.5	40%	0.402	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.1	173.6	-57.1	-57.3	140.9	0	0	112.7	D187 K217 E218 K221	D187-E189 PolarHBondContact O-N 3.01Å; D187-E189 PolarHBondContact OD1-N 3.12Å; E189-K217 WeakPolarHBondContact OE1-CD 3.39Å; E189-K217 IonicContact OE1-NZ 3.81Å; E189-E218 WeakPolarHBondContact O-CB 3.43Å; E189-E218 WeakPolarHBondContact O-CG 3.44Å; E189-K221 IonicContact OE2-NZ 2.92Å; E189-K221 PolarHBondContact OE2-NZ 2.99Å; E189-K221 VanDerWaalsContact OE2-NZ 3.16Å
190	E	98.6	Very high	97.7	Very high	108 Å²	108	34.9 Å²	34.9	51%	0.505	17%	0.168	S	C	.	.	S	Bend	trans	-81.7	142.5	168.3	-71.9	-172.8	153.8	0	0	111	D187 P188 I192 S216	D187-E190 HydrophobicContact CB-CG 4.09Å; D187-E190 WeakPolarHBondContact O-CB 3.48Å; D187-E190 PolarHBondContact O-N 3.36Å; P188-E190 VanDerWaalsContact C-N 3.33Å; E190-I192 VanDerWaalsContact C-N 3.33Å; E190-I192 PolarHBondContact O-N 2.85Å; E190-S216 VanDerWaalsContact O-CB 3.3Å; E190-S216 WeakPolarHBondContact O-CB 3.4Å; E190-S216 PolarHBondContact O-OG 3.31Å
191	P	98.7	Very high	97.6	Very high	34 Å²	34	41.8 Å²	41.8	22%	0.221	20%	0.195	C	C	.	.	S	Bend	trans	-77.6	80.7	-178.2	34.1	-37.8	0	0	0	110.9	E218 V252 E253	P191-E218 HydrophobicContact CB-CG 3.93Å; P191-V252 HydrophobicContact CB-CG2 4.3Å; P191-V252 CarbonylContact O-C 2.99Å; P191-V252 WeakPolarHBondContact O-CA 3.1Å; P191-E253 PolarHBondContact O-N 3.28Å
192	I	98.8	Very high	97.7	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.3	-176.1	-167.1	161.6	0	0	0	111.4	W164 Y186 E190 F194 S216 E253	W164-I192 HydrophobicContact CH2-CG2 4.18Å; W164-I192 HydrophobicContact CZ3-CG2 4.22Å; Y186-I192 HydrophobicContact CD1-CD1 4.11Å; Y186-I192 HydrophobicContact CE1-CD1 4.16Å; E190-I192 VanDerWaalsContact C-N 3.33Å; E190-I192 PolarHBondContact O-N 2.85Å; I192-F194 HydrophobicContact CD1-CE1 3.84Å; I192-F194 HydrophobicContact CD1-CE2 4.21Å; I192-F194 HydrophobicContact CD1-CZ 3.42Å; I192-F194 VanDerWaalsContact CD1-CZ 3.42Å; I192-F194 HydrophobicContact CG1-CE1 4.12Å; I192-F194 HydrophobicContact CG1-CE2 3.96Å; I192-F194 HydrophobicContact CG1-CZ 3.63Å; I192-F194 HydrophobicContact CG2-CE2 3.88Å; I192-F194 HydrophobicContact CG2-CZ 4.12Å; I192-S216 PolarHBondContact N-OG 3.21Å; I192-S216 VanDerWaalsContact O-CB 3.29Å; I192-S216 WeakPolarHBondContact O-CB 3.3Å; I192-S216 PolarHBondContact O-N 3.12Å; I192-S216 PolarHBondContact O-OG 3.46Å; I192-E253 WeakPolarHBondContact CA-O 3.32Å; I192-E253 HydrophobicContact CG1-CB 4.4Å; I192-E253 WeakPolarHBondContact CG1-O 3.38Å
193	Y	98.9	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.3	172.8	79.9	-55.3	0	0	0	111.1	M207 V214 L243 M247 V252 E253 A254 G255	Y193-M207 HydrophobicContact CD2-CB 4.48Å; Y193-M207 HydrophobicContact CD2-CG 3.68Å; Y193-M207 HydrophobicContact CE1-CE 4.25Å; Y193-M207 HydrophobicContact CE2-CB 4.05Å; Y193-M207 HydrophobicContact CE2-CE 4.33Å; Y193-M207 HydrophobicContact CE2-CG 3.33Å; Y193-V214 CarbonylContact C-O 3.58Å; Y193-V214 WeakPolarHBondContact CA-O 3.41Å; Y193-V214 VanDerWaalsContact CB-O 3.29Å; Y193-V214 WeakPolarHBondContact CB-O 3.46Å; Y193-L243 HydrophobicContact CD2-CD2 4.45Å; Y193-L243 HydrophobicContact CE2-CD2 4.21Å; Y193-M247 HydrophobicContact CD1-CB 4.33Å; Y193-M247 HydrophobicContact CD1-CG 4.24Å; Y193-M247 HydrophobicContact CD2-CG 4.09Å; Y193-M247 HydrophobicContact CE1-CB 3.83Å; Y193-M247 HydrophobicContact CE1-CG 4.05Å; Y193-M247 HydrophobicContact CE2-CB 4.37Å; Y193-M247 HydrophobicContact CE2-CG 3.86Å; Y193-M247 HydrophobicContact CG-CG 4.29Å; Y193-V252 HydrophobicContact CD1-CG1 3.79Å; Y193-V252 HydrophobicContact CG-CG1 4.34Å; Y193-E253 WeakPolarHBondContact CD1-O 3.2Å; Y193-E253 PolarHBondContact N-O 3.21Å; Y193-A254 VanDerWaalsContact CE1-CA 3.44Å; Y193-A254 HydrophobicContact CE1-CB 3.72Å; Y193-G255 PolarHBondContact O-N 2.03Å
194	F	98.9	Very high	97.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.3	-173.9	-55.5	-85.6	0	0	0	111.6	W164 L182 L183 Y186 I192 Y213 V214	W164-F194 AromaticContact CH2-CE2 3.92Å; W164-F194 HydrophobicContact CH2-CE2 3.92Å; W164-F194 HydrophobicContact CZ3-CD2 4.14Å; W164-F194 AromaticContact CZ3-CE2 3.74Å; W164-F194 HydrophobicContact CZ3-CE2 3.74Å; L182-F194 HydrophobicContact CD2-CB 4.48Å; L182-F194 HydrophobicContact CD2-CD1 4.2Å; L182-F194 HydrophobicContact CD2-CD2 4.39Å; L182-F194 HydrophobicContact CD2-CG 4.11Å; L183-F194 HydrophobicContact CD2-CD2 3.62Å; L183-F194 HydrophobicContact CD2-CE2 3.87Å; Y186-F194 HydrophobicContact CD1-CE1 4.41Å; Y186-F194 AromaticContact CD1-CZ 3.69Å; Y186-F194 HydrophobicContact CD1-CZ 3.69Å; Y186-F194 HydrophobicContact CD2-CE1 4.08Å; Y186-F194 HydrophobicContact CD2-CE2 4.02Å; Y186-F194 AromaticContact CD2-CZ 3.42Å; Y186-F194 HydrophobicContact CD2-CZ 3.42Å; Y186-F194 VanDerWaalsContact CD2-CZ 3.42Å; Y186-F194 AromaticContact CE1-CE1 3.97Å; Y186-F194 HydrophobicContact CE1-CE1 3.97Å; Y186-F194 AromaticContact CE1-CZ 3.72Å; Y186-F194 HydrophobicContact CE1-CZ 3.72Å; Y186-F194 AromaticContact CE2-CE1 3.6Å; Y186-F194 HydrophobicContact CE2-CE1 3.6Å; Y186-F194 HydrophobicContact CE2-CE2 4.35Å; Y186-F194 AromaticContact CE2-CZ 3.44Å; Y186-F194 HydrophobicContact CE2-CZ 3.44Å; Y186-F194 VanDerWaalsContact CE2-CZ 3.44Å; Y186-F194 HydrophobicContact CG-CE1 4.45Å; Y186-F194 HydrophobicContact CG-CE2 4.17Å; Y186-F194 AromaticContact CG-CZ 3.53Å; Y186-F194 HydrophobicContact CG-CZ 3.53Å; Y186-F194 AromaticContact CZ-CE1 3.52Å; Y186-F194 AromaticContact CZ-CZ 3.58Å; I192-F194 HydrophobicContact CD1-CE1 3.84Å; I192-F194 HydrophobicContact CD1-CE2 4.21Å; I192-F194 HydrophobicContact CD1-CZ 3.42Å; I192-F194 VanDerWaalsContact CD1-CZ 3.42Å; I192-F194 HydrophobicContact CG1-CE1 4.12Å; I192-F194 HydrophobicContact CG1-CE2 3.96Å; I192-F194 HydrophobicContact CG1-CZ 3.63Å; I192-F194 HydrophobicContact CG2-CE2 3.88Å; I192-F194 HydrophobicContact CG2-CZ 4.12Å; F194-Y213 CarbonylContact O-C 3.47Å; F194-Y213 WeakPolarHBondContact O-CA 3.49Å; F194-Y213 VanDerWaalsContact O-CB 3.31Å; F194-Y213 WeakPolarHBondContact O-CB 3.06Å; F194-V214 HydrophobicContact CB-CG1 3.69Å; F194-V214 HydrophobicContact CD2-CG1 4.13Å; F194-V214 HydrophobicContact CG-CG1 4.41Å; F194-V214 PolarHBondContact N-O 3.45Å; F194-V214 PolarHBondContact O-N 2.81Å
195	G	98.7	Very high	97.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-162.2	176.2	0	0	0	0	0	110.4	R197 M207 S257	G195-R197 PolarHBondContact O-N 2.77Å; G195-M207 VanDerWaalsContact C-SD 3.56Å; G195-M207 PolarHBondContact N-SD 2.83Å; G195-S257 PolarHBondContact O-OG 2.88Å
196	R	98.4	Very high	98.1	Very high	3 Å²	3	48 Å²	48	1%	0.011	22%	0.221	C	C	.	.			trans	-79.8	110.1	172.5	174.4	55.7	165	-115.6	8.7	110.5	F198 M207 S208 A211 E264 F266 P268 Y286 N290	R196-F198 HydrophobicContact CG-CD1 4.49Å; R196-F198 HydrophobicContact CG-CE1 4.04Å; R196-F198 HydrophobicContact CG-CZ 4.5Å; R196-F198 PolarHBondContact O-N 3.3Å; R196-M207 CarbonylContact O-C 3.52Å; R196-M207 VanDerWaalsContact O-CA 3.29Å; R196-M207 WeakPolarHBondContact O-CA 3.44Å; R196-S208 PolarHBondContact O-N 3.39Å; R196-A211 HydrophobicContact CB-CB 3.81Å; R196-E264 WeakPolarHBondContact CD-OE2 3.46Å; R196-E264 IonicContact CZ-OE1 3.88Å; R196-E264 IonicContact CZ-OE2 3.82Å; R196-E264 IonicContact NE-OE1 3.97Å; R196-E264 IonicContact NE-OE2 3.82Å; R196-E264 VanDerWaalsContact NH1-CG 3.34Å; R196-E264 IonicContact NH1-OE2 3.61Å; R196-F266 HydrophobicContact CB-CB 3.79Å; R196-F266 WeakPolarHBondContact CD-O 3.22Å; R196-F266 PolarHBondContact NH1-O 3.33Å; R196-F266 VanDerWaalsContact NH1-O 3.11Å; R196-P268 HydrophobicContact CG-CG 4.25Å; R196-Y286 PolarHBondContact NH2-OH 3.22Å; R196-N290 PolarHBondContact NE-OD1 2.96Å; R196-N290 PolarHBondContact NH2-OD1 3.35Å
197	R	98.6	Very high	98.2	Very high	28 Å²	28	44.5 Å²	44.5	11%	0.106	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.2	-176	-161.6	175.9	-175.6	161.8	4	112.7	G195 Q204 Y206 M207 A254 Y291 Y292	G195-R197 PolarHBondContact O-N 2.77Å; R197-Q204 PolarHBondContact NE-O 2.69Å; R197-Q204 PolarHBondContact NH2-O 2.9Å; R197-Y206 CarbonylContact C-O 3.49Å; R197-Y206 WeakPolarHBondContact CA-O 3.23Å; R197-M207 HydrophobicContact CB-SD 4Å; R197-M207 HydrophobicContact CG-CE 4.48Å; R197-M207 HydrophobicContact CG-SD 4.36Å; R197-A254 PolarHBondContact NH1-O 2.86Å; R197-Y291 HydrophobicContact CB-CG 4.37Å; R197-Y291 HydrophobicContact CG-CD1 4.33Å; R197-Y291 HydrophobicContact CG-CD2 3.99Å; R197-Y291 HydrophobicContact CG-CG 3.78Å; R197-Y291 VanDerWaalsContact O-CB 3.22Å; R197-Y291 WeakPolarHBondContact O-CB 3.35Å; R197-Y291 PolarHBondContact O-N 2.54Å; R197-Y292 HydrophobicContact CB-CE2 4.31Å
198	F	98.5	Very high	98.2	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.4	165.8	-66.8	-30.9	0	0	0	111.6	R196 G205 Y206 S208 P268 W285 Y289	R196-F198 HydrophobicContact CG-CD1 4.49Å; R196-F198 HydrophobicContact CG-CE1 4.04Å; R196-F198 HydrophobicContact CG-CZ 4.5Å; R196-F198 PolarHBondContact O-N 3.3Å; F198-G205 CarbonylContact O-C 3.55Å; F198-G205 WeakPolarHBondContact O-CA 3.42Å; F198-Y206 HydrophobicContact CB-CD1 4.17Å; F198-Y206 HydrophobicContact CB-CE1 3.7Å; F198-Y206 HydrophobicContact CB-CE2 4.15Å; F198-Y206 AromaticContact CD2-CE2 3.87Å; F198-Y206 HydrophobicContact CD2-CE2 3.87Å; F198-Y206 AromaticContact CD2-CZ 3.95Å; F198-Y206 PolarHBondContact N-O 2.88Å; F198-Y206 PolarHBondContact O-N 3.41Å; F198-S208 WeakPolarHBondContact CE2-OG 3.15Å; F198-P268 HydrophobicContact CE1-CG 4.41Å; F198-P268 HydrophobicContact CZ-CB 4.05Å; F198-P268 HydrophobicContact CZ-CG 4.15Å; F198-W285 HydrophobicContact CE1-CZ3 4.3Å; F198-W285 HydrophobicContact CE2-CH2 4.27Å; F198-W285 HydrophobicContact CE2-CZ3 4.19Å; F198-W285 AromaticContact CZ-CH2 3.88Å; F198-W285 HydrophobicContact CZ-CH2 3.88Å; F198-W285 AromaticContact CZ-CZ3 3.86Å; F198-W285 HydrophobicContact CZ-CZ3 3.86Å; F198-Y289 CarbonylContact C-O 3.6Å; F198-Y289 WeakPolarHBondContact CA-O 3.31Å; F198-Y289 HydrophobicContact CB-CD1 4.46Å; F198-Y289 HydrophobicContact CD2-CD1 4.26Å; F198-Y289 HydrophobicContact CG-CD1 4.26Å
199	K	98	Very high	98.2	Very high	132 Å²	132	39.9 Å²	39.9	57%	0.574	18%	0.183	S	C	*	.			trans	-88.9	-41.6	-174.3	-171.1	177.1	176.9	178.2	0	115.8	Y289 Y291	K199-Y289 PolarHBondContact N-O 3.29Å; K199-Y291 HydrophobicContact CB-CD2 4.15Å; K199-Y291 HydrophobicContact CG-CD2 4.27Å
200	P	95.2	Very high	98.1	Very high	29 Å²	29	36.2 Å²	36.2	19%	0.188	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	158.1	-168.3	-27.1	38.6	0	0	0	113.6	V202 Y206 Y289	P200-V202 PolarHBondContact O-N 3.03Å; P200-Y206 WeakPolarHBondContact O-CD1 3.43Å; P200-Y206 WeakPolarHBondContact O-CE1 3.35Å; P200-Y289 HydrophobicContact CG-CD1 4.09Å; P200-Y289 HydrophobicContact CG-CD2 3.96Å; P200-Y289 HydrophobicContact CG-CE1 4.31Å; P200-Y289 HydrophobicContact CG-CE2 4.18Å; P200-Y289 HydrophobicContact CG-CG 3.91Å
201	Y	96.5	Very high	98	Very high	144 Å²	144	31.1 Å²	31.1	57%	0.565	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	-20.1	165.1	-41.7	-64.7	0	0	0	119.6	Y206 L241 Y289	Y201-Y206 HydrophobicContact CD2-CE1 4.45Å; Y201-L241 HydrophobicContact CD2-CD1 4.29Å; Y201-L241 HydrophobicContact CD2-CD2 4.14Å; Y201-L241 HydrophobicContact CG-CD1 4.35Å; Y201-L241 HydrophobicContact CG-CD2 4.33Å; Y201-Y289 HydrophobicContact CE2-CE1 4.13Å; Y201-Y289 AromaticContact CE2-CZ 3.95Å; Y201-Y289 WeakPolarHBondContact CE2-OH 3.33Å; Y201-Y289 PolarHBondContact OH-OH 3.43Å; Y201-Y289 VanDerWaalsContact OH-OH 3.1Å
202	V	97.6	Very high	98	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.042	13%	0.133	C	C	.	.	S	Bend	trans	-123.9	134.3	175.7	-175.5	0	0	0	0	107.9	P200 Q204 G205 Y206 L241 R245 E248	P200-V202 PolarHBondContact O-N 3.03Å; V202-Q204 HydrophobicContact CG1-CG 4.12Å; V202-Q204 PolarHBondContact O-N 2.98Å; V202-G205 VanDerWaalsContact CG1-O 3.3Å; V202-G205 WeakPolarHBondContact CG1-O 3.5Å; V202-G205 WeakPolarHBondContact O-CA 3.21Å; V202-G205 PolarHBondContact O-N 2.92Å; V202-Y206 HydrophobicContact CB-CD1 4.42Å; V202-Y206 HydrophobicContact CG2-CD1 4.11Å; V202-Y206 HydrophobicContact CG2-CG 4.49Å; V202-L241 HydrophobicContact CG2-CD1 3.58Å; V202-R245 HydrophobicContact CG2-CG 3.71Å; V202-E248 HydrophobicContact CG1-CB 4.02Å; V202-E248 HydrophobicContact CG1-CG 4.4Å; V202-E248 WeakPolarHBondContact CG1-OE1 3.49Å
203	K	97.9	Very high	98	Very high	198 Å²	198	29 Å²	29	86%	0.861	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-41.3	-171.2	177.1	-172.3	176.4	-172.6	0	111.3	G205 E248	K203-G205 PolarHBondContact O-N 2.97Å; K203-E248 WeakPolarHBondContact CA-OE1 3.48Å; K203-E248 VanDerWaalsContact CB-OE1 3.27Å; K203-E248 WeakPolarHBondContact CB-OE1 3.42Å; K203-E248 PolarHBondContact N-OE1 3.44Å
204	Q	98.2	Very high	98.1	Very high	37 Å²	37	29 Å²	29	17%	0.173	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.5	170.5	71.1	167.9	-29.9	0	0	113.6	R197 V202 E248 V252 A254	R197-Q204 PolarHBondContact NE-O 2.69Å; R197-Q204 PolarHBondContact NH2-O 2.9Å; V202-Q204 HydrophobicContact CG1-CG 4.12Å; V202-Q204 PolarHBondContact O-N 2.98Å; Q204-E248 HydrophobicContact CG-CB 4.2Å; Q204-E248 HydrophobicContact CG-CG 4.24Å; Q204-E248 WeakPolarHBondContact CG-OE1 3.48Å; Q204-E248 PolarHBondContact N-OE1 3.21Å; Q204-V252 PolarHBondContact NE2-O 3.23Å; Q204-V252 PolarHBondContact OE1-O 2.84Å; Q204-A254 HydrophobicContact CG-CB 4.33Å
205	G	98.4	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.			trans	70	-177	-167.3	0	0	0	0	0	113	F198 V202 K203	F198-G205 CarbonylContact O-C 3.55Å; F198-G205 WeakPolarHBondContact O-CA 3.42Å; V202-G205 VanDerWaalsContact CG1-O 3.3Å; V202-G205 WeakPolarHBondContact CG1-O 3.5Å; V202-G205 WeakPolarHBondContact O-CA 3.21Å; V202-G205 PolarHBondContact O-N 2.92Å; K203-G205 PolarHBondContact O-N 2.97Å
206	Y	98.5	Very high	98.1	Very high	7 Å²	7	29 Å²	29	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	160.7	-177	64.7	-77.6	0	0	0	110.5	R197 F198 P200 Y201 V202 D240 L241 Y289	R197-Y206 CarbonylContact C-O 3.49Å; R197-Y206 WeakPolarHBondContact CA-O 3.23Å; F198-Y206 HydrophobicContact CB-CD1 4.17Å; F198-Y206 HydrophobicContact CB-CE1 3.7Å; F198-Y206 HydrophobicContact CB-CE2 4.15Å; F198-Y206 AromaticContact CD2-CE2 3.87Å; F198-Y206 HydrophobicContact CD2-CE2 3.87Å; F198-Y206 AromaticContact CD2-CZ 3.95Å; F198-Y206 PolarHBondContact N-O 2.88Å; F198-Y206 PolarHBondContact O-N 3.41Å; P200-Y206 WeakPolarHBondContact O-CD1 3.43Å; P200-Y206 WeakPolarHBondContact O-CE1 3.35Å; Y201-Y206 HydrophobicContact CD2-CE1 4.45Å; V202-Y206 HydrophobicContact CB-CD1 4.42Å; V202-Y206 HydrophobicContact CG2-CD1 4.11Å; V202-Y206 HydrophobicContact CG2-CG 4.49Å; Y206-D240 HydrophobicContact CD2-CB 4.32Å; Y206-D240 HydrophobicContact CE2-CB 4.46Å; Y206-L241 HydrophobicContact CD1-CD1 4.24Å; Y206-L241 HydrophobicContact CD2-CB 4.46Å; Y206-L241 HydrophobicContact CE1-CD1 4.24Å; Y206-L241 HydrophobicContact CE2-CB 4.22Å; Y206-Y289 WeakPolarHBondContact OH-CE1 3.23Å
207	M	98.7	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137	-178.6	-55.8	-54	169.2	0	0	110.8	Y193 G195 R196 R197 G209 Y213 D240 A254	Y193-M207 HydrophobicContact CD2-CB 4.48Å; Y193-M207 HydrophobicContact CD2-CG 3.68Å; Y193-M207 HydrophobicContact CE1-CE 4.25Å; Y193-M207 HydrophobicContact CE2-CB 4.05Å; Y193-M207 HydrophobicContact CE2-CE 4.33Å; Y193-M207 HydrophobicContact CE2-CG 3.33Å; G195-M207 VanDerWaalsContact C-SD 3.56Å; G195-M207 PolarHBondContact N-SD 2.83Å; R196-M207 CarbonylContact O-C 3.52Å; R196-M207 VanDerWaalsContact O-CA 3.29Å; R196-M207 WeakPolarHBondContact O-CA 3.44Å; R197-M207 HydrophobicContact CB-SD 4Å; R197-M207 HydrophobicContact CG-CE 4.48Å; R197-M207 HydrophobicContact CG-SD 4.36Å; M207-G209 PolarHBondContact O-N 3.28Å; M207-Y213 HydrophobicContact CB-CG 4.36Å; M207-D240 WeakPolarHBondContact O-CB 3.45Å; M207-A254 HydrophobicContact CE-CB 3.69Å
208	S	98.2	Very high	98.1	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.049	14%	0.137	C	C	.	.			trans	-58.3	130.6	175.5	-179.7	0	0	0	0	111.5	R196 F198	R196-S208 PolarHBondContact O-N 3.39Å; F198-S208 WeakPolarHBondContact CE2-OG 3.15Å
209	G	97.6	Very high	98.1	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	14%	0.136	C	C	.	.	S	Bend	trans	-63.9	-46.5	178.6	0	0	0	0	0	113	K167 M207 G212 D240	K167-G209 PolarHBondContact NZ-O 3.17Å; M207-G209 PolarHBondContact O-N 3.28Å; G209-G212 PolarHBondContact O-N 2.98Å; G209-G212 VanDerWaalsContact O-N 3.15Å; G209-D240 PolarHBondContact N-OD2 3.4Å
210	G	96.4	Very high	98.2	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-36.9	-176.2	0	0	0	0	0	114.1	D169 T172 G212 H309	D169-G210 WeakPolarHBondContact OD2-CA 2.99Å; T172-G210 PolarHBondContact OG1-O 3.38Å; G210-G212 PolarHBondContact O-N 3.31Å; G210-G212 VanDerWaalsContact O-N 3.08Å; G210-H309 VanDerWaalsContact C-CD2 3.49Å; G210-H309 VanDerWaalsContact CA-CD2 3.48Å; G210-H309 WeakPolarHBondContact CA-CD2 3.49Å; G210-H309 WeakPolarHBondContact CA-NE2 3.42Å; G210-H309 VanDerWaalsContact O-CB 3.25Å; G210-H309 WeakPolarHBondContact O-CB 3.35Å; G210-H309 PolarHBondContact O-CD2 3.06Å
211	A	98.2	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.1	173	0	0	0	0	0	112.4	R196 F266 P268 S307	R196-A211 HydrophobicContact CB-CB 3.81Å; A211-F266 HydrophobicContact CB-CB 4.22Å; A211-P268 HydrophobicContact CB-CB 4.36Å; A211-S307 VanDerWaalsContact O-CB 3.27Å; A211-S307 WeakPolarHBondContact O-CB 3.47Å; A211-S307 PolarHBondContact O-OG 3.42Å
212	G	98.8	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.			trans	78.5	156.3	-168.5	0	0	0	0	0	112.1	K167 G209 G210 F266	K167-G212 WeakPolarHBondContact O-CA 3.21Å; G209-G212 PolarHBondContact O-N 2.98Å; G209-G212 VanDerWaalsContact O-N 3.15Å; G210-G212 PolarHBondContact O-N 3.31Å; G210-G212 VanDerWaalsContact O-N 3.08Å; G212-F266 WeakPolarHBondContact O-CD1 3.35Å
213	Y	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.2	176.8	55.7	-101.8	0	0	0	109.9	F151 K167 F194 M207 L215 E239 L243	F151-Y213 AromaticContact CE2-CE2 3.9Å; F151-Y213 HydrophobicContact CE2-CE2 3.9Å; F151-Y213 AromaticContact CZ-CE2 3.84Å; F151-Y213 HydrophobicContact CZ-CE2 3.84Å; K167-Y213 HydrophobicContact CB-CD2 4.07Å; K167-Y213 HydrophobicContact CB-CE1 4.22Å; K167-Y213 HydrophobicContact CB-CE2 3.57Å; K167-Y213 HydrophobicContact CD-CD1 4.32Å; K167-Y213 HydrophobicContact CD-CE1 3.65Å; K167-Y213 HydrophobicContact CG-CE1 4.13Å; K167-Y213 HydrophobicContact CG-CE2 4.18Å; K167-Y213 WeakPolarHBondContact CG-OH 3.35Å; K167-Y213 PolarHBondContact N-O 3.47Å; K167-Y213 PolarHBondContact O-N 3.1Å; F194-Y213 CarbonylContact O-C 3.47Å; F194-Y213 WeakPolarHBondContact O-CA 3.49Å; F194-Y213 VanDerWaalsContact O-CB 3.31Å; F194-Y213 WeakPolarHBondContact O-CB 3.06Å; M207-Y213 HydrophobicContact CB-CG 4.36Å; Y213-L215 HydrophobicContact CD2-CD1 3.49Å; Y213-L215 VanDerWaalsContact CD2-CD1 3.49Å; Y213-L215 HydrophobicContact CE2-CD1 3.77Å; Y213-E239 PolarHBondContact OH-OE1 3.38Å; Y213-L243 HydrophobicContact CD2-CD2 4.19Å; Y213-L243 HydrophobicContact CE1-CD2 4.44Å; Y213-L243 HydrophobicContact CE2-CD1 3.68Å; Y213-L243 HydrophobicContact CE2-CD2 3.88Å; Y213-L243 HydrophobicContact CE2-CG 4.43Å; Y213-L243 WeakPolarHBondContact OH-CD1 3.35Å
214	V	98.9	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.8	-175.8	57.2	0	0	0	0	110.2	W164 F165 L166 L179 L183 Y193 F194 F266	W164-V214 HydrophobicContact CB-CG2 3.88Å; W164-V214 HydrophobicContact CE3-CG2 4.11Å; F165-V214 WeakPolarHBondContact O-CA 3.31Å; L166-V214 HydrophobicContact CD1-CB 4.24Å; L179-V214 HydrophobicContact CD1-CG1 4.18Å; L183-V214 HydrophobicContact CD1-CG2 4.06Å; L183-V214 HydrophobicContact CD2-CG1 3.99Å; L183-V214 HydrophobicContact CD2-CG2 4.47Å; Y193-V214 CarbonylContact C-O 3.58Å; Y193-V214 WeakPolarHBondContact CA-O 3.41Å; Y193-V214 VanDerWaalsContact CB-O 3.29Å; Y193-V214 WeakPolarHBondContact CB-O 3.46Å; F194-V214 HydrophobicContact CB-CG1 3.69Å; F194-V214 HydrophobicContact CD2-CG1 4.13Å; F194-V214 HydrophobicContact CG-CG1 4.41Å; F194-V214 PolarHBondContact N-O 3.45Å; F194-V214 PolarHBondContact O-N 2.81Å; V214-F266 HydrophobicContact CG1-CZ 4.45Å
215	L	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.7	175	-80.3	58.3	0	0	0	108.8	F151 F165 Y213 A219 M247	F151-L215 HydrophobicContact CE1-CD2 4.01Å; F151-L215 HydrophobicContact CE2-CD2 4.21Å; F151-L215 HydrophobicContact CZ-CD1 4.02Å; F151-L215 HydrophobicContact CZ-CD2 3.86Å; F165-L215 PolarHBondContact N-O 3.22Å; F165-L215 PolarHBondContact O-N 3.21Å; Y213-L215 HydrophobicContact CD2-CD1 3.49Å; Y213-L215 VanDerWaalsContact CD2-CD1 3.49Å; Y213-L215 HydrophobicContact CE2-CD1 3.77Å; L215-A219 HydrophobicContact CB-CB 3.99Å; L215-A219 HydrophobicContact CG-CB 4.15Å; L215-M247 HydrophobicContact CD1-CE 4.24Å; L215-M247 HydrophobicContact CD2-CE 3.5Å; L215-M247 VanDerWaalsContact CD2-CE 3.5Å; L215-M247 HydrophobicContact CG-CE 3.91Å
216	S	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	165.2	161.2	77	0	0	0	0	111	P188 E190 I192 E218 A219 L220	P188-S216 VanDerWaalsContact O-CB 3.31Å; P188-S216 WeakPolarHBondContact O-CB 3.49Å; E190-S216 VanDerWaalsContact O-CB 3.3Å; E190-S216 WeakPolarHBondContact O-CB 3.4Å; E190-S216 PolarHBondContact O-OG 3.31Å; I192-S216 PolarHBondContact N-OG 3.21Å; I192-S216 VanDerWaalsContact O-CB 3.29Å; I192-S216 WeakPolarHBondContact O-CB 3.3Å; I192-S216 PolarHBondContact O-N 3.12Å; I192-S216 PolarHBondContact O-OG 3.46Å; S216-E218 VanDerWaalsContact C-N 3.29Å; S216-E218 PolarHBondContact O-N 2.88Å; S216-A219 PolarHBondContact O-N 2.88Å; S216-A219 WeakPolarHBondContact OG-CB 3.18Å; S216-A219 PolarHBondContact OG-N 3.04Å; S216-L220 PolarHBondContact O-N 2.87Å
217	K	98.9	Very high	98.5	Very high	11 Å²	11	14.6 Å²	14.6	5%	0.048	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-43.3	175	-168.9	-179	-64.4	155.7	0	111.6	L159 A162 D163 F165 P188 E189 L220 K221	L159-K217 HydrophobicContact CD1-CD 4.49Å; L159-K217 HydrophobicContact CD1-CG 3.75Å; L159-K217 HydrophobicContact CG-CG 4.37Å; L159-K217 WeakPolarHBondContact O-CE 3.5Å; A162-K217 WeakPolarHBondContact O-CE 3.4Å; D163-K217 PolarHBondContact O-N 2.86Å; D163-K217 VanDerWaalsContact O-N 3.14Å; D163-K217 IonicContact OD1-NZ 3.44Å; D163-K217 PolarHBondContact OD1-NZ 2.95Å; F165-K217 HydrophobicContact CE2-CB 4.06Å; F165-K217 HydrophobicContact CE2-CG 4.09Å; P188-K217 PolarHBondContact O-N 3.26Å; P188-K217 VanDerWaalsContact O-N 3.07Å; E189-K217 WeakPolarHBondContact OE1-CD 3.39Å; E189-K217 IonicContact OE1-NZ 3.81Å; K217-L220 PolarHBondContact O-N 2.89Å; K217-K221 WeakPolarHBondContact O-CG 3.43Å; K217-K221 PolarHBondContact O-N 3.11Å
218	E	98.9	Very high	98.3	Very high	42 Å²	42	21.5 Å²	21.5	20%	0.196	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-39.4	176.2	178.7	61.2	-168.3	0	0	112.4	P188 E189 P191 S216 L220 K221 R222	P188-E218 PolarHBondContact O-N 3.16Å; P188-E218 VanDerWaalsContact O-N 3.16Å; E189-E218 WeakPolarHBondContact O-CB 3.43Å; E189-E218 WeakPolarHBondContact O-CG 3.44Å; P191-E218 HydrophobicContact CB-CG 3.93Å; S216-E218 VanDerWaalsContact C-N 3.29Å; S216-E218 PolarHBondContact O-N 2.88Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.92Å; E218-K221 PolarHBondContact O-N 3.14Å; E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 2.75Å; E218-R222 IonicContact OE1-CZ 3.43Å; E218-R222 IonicContact OE1-NE 2.76Å; E218-R222 PolarHBondContact OE1-NE 3.18Å; E218-R222 IonicContact OE1-NH2 3.18Å; E218-R222 PolarHBondContact OE1-NH2 3.46Å
219	A	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-40.9	175	0	0	0	0	0	112.1	L215 S216 R222 F223 V252	L215-A219 HydrophobicContact CB-CB 3.99Å; L215-A219 HydrophobicContact CG-CB 4.15Å; S216-A219 PolarHBondContact O-N 2.88Å; S216-A219 WeakPolarHBondContact OG-CB 3.18Å; S216-A219 PolarHBondContact OG-N 3.04Å; A219-R222 PolarHBondContact O-N 3.1Å; A219-F223 WeakPolarHBondContact O-CB 3.49Å; A219-F223 PolarHBondContact O-N 2.9Å; A219-V252 HydrophobicContact CB-CG1 3.59Å; A219-V252 HydrophobicContact CB-CG2 4.18Å
220	L	98.9	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-46.8	175.1	176.1	58.7	0	0	0	112.1	F151 V154 H155 L159 F165 S216 K217 E218 R222 F223 V224	F151-L220 HydrophobicContact CB-CD1 3.75Å; F151-L220 HydrophobicContact CD1-CD1 3.46Å; F151-L220 VanDerWaalsContact CD1-CD1 3.46Å; F151-L220 HydrophobicContact CE1-CD1 4.3Å; F151-L220 HydrophobicContact CG-CD1 3.88Å; V154-L220 HydrophobicContact CG1-CD2 3.86Å; H155-L220 HydrophobicContact CB-CD1 4.42Å; H155-L220 HydrophobicContact CB-CD2 4.32Å; H155-L220 HydrophobicContact CB-CG 4.29Å; L159-L220 HydrophobicContact CD1-CD2 3.89Å; L159-L220 HydrophobicContact CD1-CG 4.37Å; F165-L220 HydrophobicContact CB-CD2 4.33Å; F165-L220 HydrophobicContact CD1-CD2 3.71Å; F165-L220 HydrophobicContact CD2-CB 4.06Å; F165-L220 HydrophobicContact CD2-CD2 3.6Å; F165-L220 HydrophobicContact CD2-CG 4.47Å; F165-L220 HydrophobicContact CE1-CD2 3.82Å; F165-L220 HydrophobicContact CE2-CB 4.49Å; F165-L220 HydrophobicContact CE2-CD2 3.76Å; F165-L220 HydrophobicContact CG-CD2 3.58Å; F165-L220 HydrophobicContact CZ-CD2 3.86Å; S216-L220 PolarHBondContact O-N 2.87Å; K217-L220 PolarHBondContact O-N 2.89Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.92Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 3.29Å; L220-F223 PolarHBondContact O-N 3.2Å; L220-V224 HydrophobicContact CD1-CG2 4.11Å; L220-V224 PolarHBondContact O-N 2.87Å
221	K	98.8	Very high	98.2	Very high	58 Å²	58	35.4 Å²	35.4	25%	0.252	17%	0.168	S	C	.	.	H	α-helix	trans	-54.4	-50.1	176	-72.2	169.1	-177.7	165	0	110.7	L159 E189 K217 E218 V224 D225	L159-K221 HydrophobicContact CD1-CG 4.21Å; L159-K221 HydrophobicContact CD2-CG 4.1Å; E189-K221 IonicContact OE2-NZ 2.92Å; E189-K221 PolarHBondContact OE2-NZ 2.99Å; E189-K221 VanDerWaalsContact OE2-NZ 3.16Å; K217-K221 WeakPolarHBondContact O-CG 3.43Å; K217-K221 PolarHBondContact O-N 3.11Å; E218-K221 PolarHBondContact O-N 3.14Å; K221-V224 PolarHBondContact O-N 2.79Å; K221-D225 WeakPolarHBondContact O-CB 3.42Å; K221-D225 PolarHBondContact O-N 3.5Å
222	R	98.8	Very high	98.2	Very high	67 Å²	67	35.7 Å²	35.7	25%	0.253	17%	0.17	S	C	.	.	H	α-helix	trans	-63.5	-43.4	178.8	-70.7	-174.6	-173.8	-166.1	8.2	112.9	E218 A219 L220 V224 D225 A226 M250 N251 V252	E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 2.75Å; E218-R222 IonicContact OE1-CZ 3.43Å; E218-R222 IonicContact OE1-NE 2.76Å; E218-R222 PolarHBondContact OE1-NE 3.18Å; E218-R222 IonicContact OE1-NH2 3.18Å; E218-R222 PolarHBondContact OE1-NH2 3.46Å; A219-R222 PolarHBondContact O-N 3.1Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 3.29Å; R222-V224 VanDerWaalsContact C-N 3.34Å; R222-V224 PolarHBondContact O-N 3.35Å; R222-D225 PolarHBondContact O-N 3.2Å; R222-A226 WeakPolarHBondContact O-CB 3.26Å; R222-A226 PolarHBondContact O-N 3.35Å; R222-M250 HydrophobicContact CB-CB 4.2Å; R222-M250 HydrophobicContact CB-CE 4.24Å; R222-M250 WeakPolarHBondContact CD-O 3.35Å; R222-M250 PolarHBondContact NH1-O 3.2Å; R222-M250 WeakPolarHBondContact O-CE 3.15Å; R222-N251 PolarHBondContact NH1-O 2.77Å; R222-N251 VanDerWaalsContact NH1-O 3.13Å; R222-V252 HydrophobicContact CB-CG2 4.22Å
223	F	98.7	Very high	98.1	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-48.9	177.4	179.2	-98.3	0	0	0	111	Y144 I148 F151 A219 L220 A226 F227 L243 C246 M247	Y144-F223 HydrophobicContact CE2-CZ 4.41Å; I148-F223 HydrophobicContact CG1-CZ 4.29Å; F151-F223 HydrophobicContact CB-CD1 3.93Å; F151-F223 HydrophobicContact CB-CE1 3.85Å; F151-F223 HydrophobicContact CD2-CD1 4.22Å; F151-F223 AromaticContact CD2-CE1 3.88Å; F151-F223 HydrophobicContact CD2-CE1 3.88Å; F151-F223 HydrophobicContact CD2-CZ 4.4Å; F151-F223 HydrophobicContact CG-CD1 4.34Å; F151-F223 HydrophobicContact CG-CE1 4.27Å; A219-F223 WeakPolarHBondContact O-CB 3.49Å; A219-F223 PolarHBondContact O-N 2.9Å; L220-F223 PolarHBondContact O-N 3.2Å; F223-A226 WeakPolarHBondContact O-CB 3Å; F223-A226 PolarHBondContact O-N 3.46Å; F223-F227 HydrophobicContact CD1-CE2 4.19Å; F223-F227 HydrophobicContact CD2-CE2 4.07Å; F223-F227 HydrophobicContact CE1-CD2 4.32Å; F223-F227 AromaticContact CE1-CE2 3.72Å; F223-F227 HydrophobicContact CE1-CE2 3.72Å; F223-F227 AromaticContact CE2-CE2 3.6Å; F223-F227 HydrophobicContact CE2-CE2 3.6Å; F223-F227 HydrophobicContact CE2-CZ 4.15Å; F223-F227 HydrophobicContact CG-CE2 4.36Å; F223-F227 HydrophobicContact CZ-CD2 4.42Å; F223-F227 AromaticContact CZ-CE2 3.41Å; F223-F227 HydrophobicContact CZ-CE2 3.41Å; F223-F227 VanDerWaalsContact CZ-CE2 3.41Å; F223-F227 AromaticContact CZ-CZ 3.93Å; F223-F227 HydrophobicContact CZ-CZ 3.93Å; F223-F227 WeakPolarHBondContact O-CD2 3.47Å; F223-L243 HydrophobicContact CE2-CD1 4.03Å; F223-L243 HydrophobicContact CE2-CG 4.24Å; F223-L243 HydrophobicContact CZ-CD1 4.28Å; F223-C246 HydrophobicContact CD2-CB 4.21Å; F223-C246 HydrophobicContact CE2-CB 4.16Å; F223-M247 HydrophobicContact CB-CE 4.01Å; F223-M247 HydrophobicContact CD2-CE 3.52Å; F223-M247 HydrophobicContact CE2-CE 4.28Å; F223-M247 HydrophobicContact CG-CE 4Å
224	V	98.5	Very high	97.7	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-40.9	179.6	171.9	0	0	0	0	112	Q152 H155 L220 K221 R222 A226 F227 K228	Q152-V224 HydrophobicContact CG-CG2 4.49Å; H155-V224 HydrophobicContact CB-CB 4.47Å; H155-V224 HydrophobicContact CB-CG2 3.74Å; L220-V224 HydrophobicContact CD1-CG2 4.11Å; L220-V224 PolarHBondContact O-N 2.87Å; K221-V224 PolarHBondContact O-N 2.79Å; R222-V224 VanDerWaalsContact C-N 3.34Å; R222-V224 PolarHBondContact O-N 3.35Å; V224-A226 PolarHBondContact O-N 2.89Å; V224-F227 PolarHBondContact O-N 3.39Å; V224-K228 PolarHBondContact O-N 3.05Å
225	D	98.5	Very high	97.4	Very high	72 Å²	72	45 Å²	45	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-60.8	-34.1	175.5	-173.2	58.5	0	0	0	112.6	K221 R222 F227 K228 T229	K221-D225 WeakPolarHBondContact O-CB 3.42Å; K221-D225 PolarHBondContact O-N 3.5Å; R222-D225 PolarHBondContact O-N 3.2Å; D225-F227 VanDerWaalsContact C-N 3.26Å; D225-F227 PolarHBondContact O-N 3.47Å; D225-K228 PolarHBondContact O-N 3.26Å; D225-K228 VanDerWaalsContact O-N 3.09Å; D225-T229 PolarHBondContact O-N 3.15Å; D225-T229 PolarHBondContact O-OG1 3.04Å
226	A	98.4	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-32.7	178.8	0	0	0	0	0	113.5	R222 F223 V224 D230 K231 C232 M250	R222-A226 WeakPolarHBondContact O-CB 3.26Å; R222-A226 PolarHBondContact O-N 3.35Å; F223-A226 WeakPolarHBondContact O-CB 3Å; F223-A226 PolarHBondContact O-N 3.46Å; V224-A226 PolarHBondContact O-N 2.89Å; A226-D230 CarbonylContact O-C 3.6Å; A226-D230 PolarHBondContact O-N 3.4Å; A226-K231 HydrophobicContact CB-CB 4.32Å; A226-K231 PolarHBondContact O-N 2.69Å; A226-C232 HydrophobicContact CB-CB 3.75Å; A226-C232 WeakPolarHBondContact CB-SG 3.29Å; A226-C232 PolarHBondContact O-N 3.47Å; A226-M250 HydrophobicContact CB-CE 3.9Å; A226-M250 HydrophobicContact CB-CG 3.55Å; A226-M250 HydrophobicContact CB-SD 3.46Å; A226-M250 WeakPolarHBondContact CB-SD 3.49Å
227	F	97.6	Very high	96.8	Very high	31 Å²	31	49.2 Å²	49.2	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-83.1	-25.6	175.5	-69.1	-87.8	0	0	0	112.7	I148 F223 V224 D225 T229 C232	I148-F227 HydrophobicContact CD1-CD1 4.39Å; I148-F227 HydrophobicContact CD1-CE1 3.5Å; I148-F227 HydrophobicContact CD1-CZ 3.78Å; I148-F227 HydrophobicContact CG1-CE1 3.78Å; I148-F227 HydrophobicContact CG1-CE2 4.25Å; I148-F227 HydrophobicContact CG1-CZ 3.59Å; I148-F227 HydrophobicContact CG2-CD1 4.2Å; I148-F227 HydrophobicContact CG2-CE1 4.2Å; I148-F227 HydrophobicContact CG2-CG 4.37Å; I148-F227 HydrophobicContact CG2-CZ 4.41Å; F223-F227 HydrophobicContact CD1-CE2 4.19Å; F223-F227 HydrophobicContact CD2-CE2 4.07Å; F223-F227 HydrophobicContact CE1-CD2 4.32Å; F223-F227 AromaticContact CE1-CE2 3.72Å; F223-F227 HydrophobicContact CE1-CE2 3.72Å; F223-F227 AromaticContact CE2-CE2 3.6Å; F223-F227 HydrophobicContact CE2-CE2 3.6Å; F223-F227 HydrophobicContact CE2-CZ 4.15Å; F223-F227 HydrophobicContact CG-CE2 4.36Å; F223-F227 HydrophobicContact CZ-CD2 4.42Å; F223-F227 AromaticContact CZ-CE2 3.41Å; F223-F227 HydrophobicContact CZ-CE2 3.41Å; F223-F227 VanDerWaalsContact CZ-CE2 3.41Å; F223-F227 AromaticContact CZ-CZ 3.93Å; F223-F227 HydrophobicContact CZ-CZ 3.93Å; F223-F227 WeakPolarHBondContact O-CD2 3.47Å; V224-F227 PolarHBondContact O-N 3.39Å; D225-F227 VanDerWaalsContact C-N 3.26Å; D225-F227 PolarHBondContact O-N 3.47Å; F227-T229 VanDerWaalsContact C-N 3.29Å; F227-C232 HydrophobicContact CD1-CB 4.48Å; F227-C232 VanDerWaalsContact CD1-O 3.25Å; F227-C232 WeakPolarHBondContact CD1-O 3.24Å; F227-C232 HydrophobicContact CD2-CB 4.35Å; F227-C232 HydrophobicContact CE1-CB 4.13Å; F227-C232 HydrophobicContact CE2-CB 3.94Å; F227-C232 HydrophobicContact CZ-CB 3.82Å
228	K	95.9	Very high	96.6	Very high	144 Å²	144	52.8 Å²	52.8	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-71.6	-28.9	172.5	-67.9	176.7	-179.5	172.6	0	111.8	V224 D225	V224-K228 PolarHBondContact O-N 3.05Å; D225-K228 PolarHBondContact O-N 3.26Å; D225-K228 VanDerWaalsContact O-N 3.09Å
229	T	96.9	Very high	96.5	Very high	64 Å²	64	51.3 Å²	51.3	39%	0.393	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	9.3	-177.3	57.8	0	0	0	0	113.5	D225 F227 K231	D225-T229 PolarHBondContact O-N 3.15Å; D225-T229 PolarHBondContact O-OG1 3.04Å; F227-T229 VanDerWaalsContact C-N 3.29Å; T229-K231 PolarHBondContact O-N 3.45Å
230	D	96	Very high	96.5	Very high	129 Å²	129	52.4 Å²	52.4	69%	0.69	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	16.5	-178.1	-62.2	-52	0	0	0	115.5	A226 C232	A226-D230 CarbonylContact O-C 3.6Å; A226-D230 PolarHBondContact O-N 3.4Å; D230-C232 VanDerWaalsContact C-N 3.31Å
231	K	97.1	Very high	96.4	Very high	119 Å²	119	52.8 Å²	52.8	52%	0.517	28%	0.275	S	S	.	.	S	Bend	trans	-68.8	-32.8	172.9	-70.8	180	-178.9	170.9	0	112	A226 T229 I249 M250	A226-K231 HydrophobicContact CB-CB 4.32Å; A226-K231 PolarHBondContact O-N 2.69Å; T229-K231 PolarHBondContact O-N 3.45Å; K231-I249 HydrophobicContact CB-CG2 4.25Å; K231-M250 HydrophobicContact CB-SD 4.11Å; K231-M250 HydrophobicContact CD-CE 4.26Å; K231-M250 HydrophobicContact CD-SD 3.66Å
232	C	97.5	Very high	96.4	Very high	7 Å²	7	50 Å²	50	5%	0.047	26%	0.263	C	S	.	.	S	Bend	trans	-120.2	142	171.5	-63.6	0	0	0	0	110.2	A226 F227 D230 C246	A226-C232 HydrophobicContact CB-CB 3.75Å; A226-C232 WeakPolarHBondContact CB-SG 3.29Å; A226-C232 PolarHBondContact O-N 3.47Å; F227-C232 HydrophobicContact CD1-CB 4.48Å; F227-C232 VanDerWaalsContact CD1-O 3.25Å; F227-C232 WeakPolarHBondContact CD1-O 3.24Å; F227-C232 HydrophobicContact CD2-CB 4.35Å; F227-C232 HydrophobicContact CE1-CB 4.13Å; F227-C232 HydrophobicContact CE2-CB 3.94Å; F227-C232 HydrophobicContact CZ-CB 3.82Å; D230-C232 VanDerWaalsContact C-N 3.31Å; C232-C246 HydrophobicContact CB-CB 3.93Å; C232-C246 WeakPolarHBondContact CB-SG 3.36Å; C232-C246 WeakPolarHBondContact SG-CA 3.46Å; C232-C246 WeakPolarHBondContact SG-CB 3.46Å; C232-C246 CovalentContact SG-SG 2.04Å; C232-C246 PolarHBondContact SG-SG 2.91Å
233	T	95.5	Very high	96.4	Very high	79 Å²	79	46.8 Å²	46.8	49%	0.485	25%	0.251	S	S	.	.			trans	-136.1	178.2	174.7	62.3	0	0	0	0	109	S235	T233-S235 PolarHBondContact O-N 2.91Å
234	H	92.3	Very high	96.4	Very high	55 Å²	55	46.8 Å²	46.8	26%	0.255	25%	0.251	S	S	.	.			trans	-67.1	81	172.2	-171.5	-66.3	0	0	0	111.2	Y144 W145 S236	Y144-H234 HydrophobicContact CD1-CB 4.42Å; Y144-H234 AromaticContact CD1-CD2 3.73Å; Y144-H234 AromaticContact CD1-CG 3.96Å; W145-H234 AromaticContact CD1-CD2 3.25Å; W145-H234 AromaticContact CD1-NE2 3.4Å; W145-H234 AromaticContact CD2-CD2 3.72Å; W145-H234 AromaticContact CE2-CD2 3.52Å; W145-H234 AromaticContact CE2-CG 3.94Å; W145-H234 AromaticContact CG-CD2 3.56Å; W145-H234 HydrophobicContact CH2-CB 4.46Å; W145-H234 HydrophobicContact CZ2-CB 3.92Å; W145-H234 AromaticContact NE1-CD2 3.2Å; W145-H234 PolarHBondContact NE1-CD2 2.98Å; W145-H234 AromaticContact NE1-CG 3.74Å; W145-H234 AromaticContact NE1-NE2 3.66Å; H234-S236 PolarHBondContact CE1-O 3.49Å
235	S	91.7	Very high	96.4	Very high	60 Å²	60	50.6 Å²	50.6	42%	0.42	27%	0.265	S	S	.	.			trans	-84.1	-15.1	-168.6	66.6	0	0	0	0	115.3	T233	T233-S235 PolarHBondContact O-N 2.91Å
236	S	93.4	Very high	96.4	Very high	24 Å²	24	47.3 Å²	47.3	17%	0.168	25%	0.247	C	C	.	.			trans	-161.6	153	-178.2	173.6	0	0	0	0	110.1	H234 I238	H234-S236 PolarHBondContact CE1-O 3.49Å; S236-I238 VanDerWaalsContact C-N 3.26Å; S236-I238 WeakPolarHBondContact OG-CB 3.33Å; S236-I238 PolarHBondContact OG-N 3.34Å
237	S	91.3	Very high	96.4	Very high	65 Å²	65	47.3 Å²	47.3	46%	0.455	25%	0.247	S	C	.	.	S	Bend	trans	-77.7	-13.8	169.2	58.9	0	0	0	0	112.9	E239	S237-E239 PolarHBondContact O-N 2.66Å
238	I	94.9	Very high	96.5	Very high	87 Å²	87	48.9 Å²	48.9	45%	0.446	26%	0.255	S	S	.	.	S	Bend	trans	-83.9	102.1	173.2	-56.5	174.7	0	0	0	107.5	S236 D240 L241 A242	S236-I238 VanDerWaalsContact C-N 3.26Å; S236-I238 WeakPolarHBondContact OG-CB 3.33Å; S236-I238 PolarHBondContact OG-N 3.34Å; I238-D240 WeakPolarHBondContact CG2-OD1 3.21Å; I238-D240 PolarHBondContact O-N 3.3Å; I238-L241 HydrophobicContact CB-CB 4.11Å; I238-L241 HydrophobicContact CD1-CD2 4.45Å; I238-L241 HydrophobicContact CG2-CB 3.71Å; I238-L241 PolarHBondContact O-N 3.13Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 2.83Å
239	E	97.2	Very high	96.6	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-53.5	-54.5	-170.5	-174.1	-80.4	128.7	0	0	113.7	L143 Y144 T147 K167 Y213 S237 A242 L243	L143-E239 HydrophobicContact CB-CB 3.84Å; L143-E239 HydrophobicContact CB-CG 4.01Å; Y144-E239 HydrophobicContact CD2-CG 4.32Å; T147-E239 WeakPolarHBondContact CB-OE1 3.17Å; T147-E239 VanDerWaalsContact CG2-OE1 3.28Å; T147-E239 WeakPolarHBondContact CG2-OE1 3.35Å; T147-E239 WeakPolarHBondContact OG1-CG 3.48Å; T147-E239 PolarHBondContact OG1-OE1 3.28Å; K167-E239 IonicContact NZ-OE2 3.67Å; K167-E239 PolarHBondContact NZ-OE2 2.92Å; Y213-E239 PolarHBondContact OH-OE1 3.38Å; S237-E239 PolarHBondContact O-N 2.66Å; E239-A242 PolarHBondContact O-N 3.21Å; E239-L243 WeakPolarHBondContact O-CB 3.29Å; E239-L243 PolarHBondContact O-N 3.03Å
240	D	98	Very high	96.6	Very high	22 Å²	22	44 Å²	44	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-38.9	-174.6	61.9	-8.3	0	0	0	113.3	Y206 M207 G209 I238 G244	Y206-D240 HydrophobicContact CD2-CB 4.32Å; Y206-D240 HydrophobicContact CE2-CB 4.46Å; M207-D240 WeakPolarHBondContact O-CB 3.45Å; G209-D240 PolarHBondContact N-OD2 3.4Å; I238-D240 WeakPolarHBondContact CG2-OD1 3.21Å; I238-D240 PolarHBondContact O-N 3.3Å; D240-G244 PolarHBondContact O-N 3.4Å
241	L	98	Very high	96.8	Very high	8 Å²	8	44 Å²	44	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-44.4	171.5	174.4	58.6	0	0	0	111.5	Y201 V202 Y206 I238 G244 R245	Y201-L241 HydrophobicContact CD2-CD1 4.29Å; Y201-L241 HydrophobicContact CD2-CD2 4.14Å; Y201-L241 HydrophobicContact CG-CD1 4.35Å; Y201-L241 HydrophobicContact CG-CD2 4.33Å; V202-L241 HydrophobicContact CG2-CD1 3.58Å; Y206-L241 HydrophobicContact CD1-CD1 4.24Å; Y206-L241 HydrophobicContact CD2-CB 4.46Å; Y206-L241 HydrophobicContact CE1-CD1 4.24Å; Y206-L241 HydrophobicContact CE2-CB 4.22Å; I238-L241 HydrophobicContact CB-CB 4.11Å; I238-L241 HydrophobicContact CD1-CD2 4.45Å; I238-L241 HydrophobicContact CG2-CB 3.71Å; I238-L241 PolarHBondContact O-N 3.13Å; L241-G244 PolarHBondContact O-N 3.18Å; L241-R245 HydrophobicContact CD1-CG 4.39Å; L241-R245 WeakPolarHBondContact O-CG 3.44Å; L241-R245 PolarHBondContact O-N 2.86Å
242	A	98.2	Very high	96.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-43.5	-179.8	0	0	0	0	0	111.2	Y144 I238 E239 R245 C246	Y144-A242 HydrophobicContact CD1-CB 3.45Å; Y144-A242 VanDerWaalsContact CD1-CB 3.45Å; Y144-A242 HydrophobicContact CD2-CB 3.83Å; Y144-A242 HydrophobicContact CE1-CB 3.31Å; Y144-A242 HydrophobicContact CE2-CB 3.73Å; Y144-A242 HydrophobicContact CG-CB 3.71Å; Y144-A242 VanDerWaalsContact CZ-CB 3.45Å; Y144-A242 PolarHBondContact OH-O 2.72Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 2.83Å; E239-A242 PolarHBondContact O-N 3.21Å; A242-R245 PolarHBondContact O-N 2.84Å; A242-C246 PolarHBondContact O-N 2.66Å; A242-C246 VanDerWaalsContact O-N 3.17Å
243	L	98.7	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-49.4	173	-179.4	131.2	0	0	0	111.5	Y144 T147 F151 Y193 Y213 F223 E239 R245 C246 M247	Y144-L243 HydrophobicContact CE2-CB 4.08Å; T147-L243 HydrophobicContact CG2-CD1 3.74Å; F151-L243 HydrophobicContact CD2-CD1 4.31Å; F151-L243 HydrophobicContact CE2-CD1 3.72Å; Y193-L243 HydrophobicContact CD2-CD2 4.45Å; Y193-L243 HydrophobicContact CE2-CD2 4.21Å; Y213-L243 HydrophobicContact CD2-CD2 4.19Å; Y213-L243 HydrophobicContact CE1-CD2 4.44Å; Y213-L243 HydrophobicContact CE2-CD1 3.68Å; Y213-L243 HydrophobicContact CE2-CD2 3.88Å; Y213-L243 HydrophobicContact CE2-CG 4.43Å; Y213-L243 WeakPolarHBondContact OH-CD1 3.35Å; F223-L243 HydrophobicContact CE2-CD1 4.03Å; F223-L243 HydrophobicContact CE2-CG 4.24Å; F223-L243 HydrophobicContact CZ-CD1 4.28Å; E239-L243 WeakPolarHBondContact O-CB 3.29Å; E239-L243 PolarHBondContact O-N 3.03Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-R245 PolarHBondContact O-N 3.25Å; L243-C246 WeakPolarHBondContact O-CA 3.34Å; L243-C246 WeakPolarHBondContact O-CB 3.49Å; L243-C246 PolarHBondContact O-N 3.27Å; L243-M247 HydrophobicContact CD1-CE 4.05Å; L243-M247 HydrophobicContact CD2-CE 3.89Å; L243-M247 HydrophobicContact CD2-CG 4.14Å; L243-M247 HydrophobicContact CG-CE 3.77Å; L243-M247 WeakPolarHBondContact O-CG 3.34Å; L243-M247 PolarHBondContact O-N 3.48Å
244	G	98.6	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-37.9	179.8	0	0	0	0	0	113.8	D240 L241 C246 M247 E248	D240-G244 PolarHBondContact O-N 3.4Å; L241-G244 PolarHBondContact O-N 3.18Å; G244-C246 VanDerWaalsContact C-N 3.33Å; G244-C246 PolarHBondContact O-N 2.83Å; G244-M247 PolarHBondContact O-N 2.82Å; G244-E248 PolarHBondContact O-N 3.01Å
245	R	98.5	Very high	97.3	Very high	86 Å²	86	37.8 Å²	37.8	33%	0.325	20%	0.2	S	C	.	.	H	α-helix	trans	-60.6	-43.2	170.8	-76.5	176.7	177.2	162.6	0.5	111.8	V202 L241 A242 L243 M247 E248 I249	V202-R245 HydrophobicContact CG2-CG 3.71Å; L241-R245 HydrophobicContact CD1-CG 4.39Å; L241-R245 WeakPolarHBondContact O-CG 3.44Å; L241-R245 PolarHBondContact O-N 2.86Å; A242-R245 PolarHBondContact O-N 2.84Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-R245 PolarHBondContact O-N 3.25Å; R245-M247 VanDerWaalsContact C-N 3.34Å; R245-E248 PolarHBondContact O-N 3.3Å; R245-I249 WeakPolarHBondContact O-CG1 3.39Å; R245-I249 PolarHBondContact O-N 2.84Å
246	C	98.7	Very high	97.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-39.8	177.2	-170.4	0	0	0	0	112	F223 C232 A242 L243 G244 E248 I249 M250	F223-C246 HydrophobicContact CD2-CB 4.21Å; F223-C246 HydrophobicContact CE2-CB 4.16Å; C232-C246 HydrophobicContact CB-CB 3.93Å; C232-C246 WeakPolarHBondContact CB-SG 3.36Å; C232-C246 WeakPolarHBondContact SG-CA 3.46Å; C232-C246 WeakPolarHBondContact SG-CB 3.46Å; C232-C246 CovalentContact SG-SG 2.04Å; C232-C246 PolarHBondContact SG-SG 2.91Å; A242-C246 PolarHBondContact O-N 2.66Å; A242-C246 VanDerWaalsContact O-N 3.17Å; L243-C246 WeakPolarHBondContact O-CA 3.34Å; L243-C246 WeakPolarHBondContact O-CB 3.49Å; L243-C246 PolarHBondContact O-N 3.27Å; G244-C246 VanDerWaalsContact C-N 3.33Å; G244-C246 PolarHBondContact O-N 2.83Å; C246-E248 VanDerWaalsContact C-N 3.32Å; C246-E248 PolarHBondContact O-N 3.14Å; C246-I249 PolarHBondContact O-N 2.9Å; C246-M250 WeakPolarHBondContact O-CB 3.09Å; C246-M250 WeakPolarHBondContact O-CG 3.17Å; C246-M250 PolarHBondContact O-N 3.17Å
247	M	98.8	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-43.9	174	-63.9	-54	158.5	0	0	111.6	Y193 L215 F223 L243 G244 R245 M250 N251 V252	Y193-M247 HydrophobicContact CD1-CB 4.33Å; Y193-M247 HydrophobicContact CD1-CG 4.24Å; Y193-M247 HydrophobicContact CD2-CG 4.09Å; Y193-M247 HydrophobicContact CE1-CB 3.83Å; Y193-M247 HydrophobicContact CE1-CG 4.05Å; Y193-M247 HydrophobicContact CE2-CB 4.37Å; Y193-M247 HydrophobicContact CE2-CG 3.86Å; Y193-M247 HydrophobicContact CG-CG 4.29Å; L215-M247 HydrophobicContact CD1-CE 4.24Å; L215-M247 HydrophobicContact CD2-CE 3.5Å; L215-M247 VanDerWaalsContact CD2-CE 3.5Å; L215-M247 HydrophobicContact CG-CE 3.91Å; F223-M247 HydrophobicContact CB-CE 4.01Å; F223-M247 HydrophobicContact CD2-CE 3.52Å; F223-M247 HydrophobicContact CE2-CE 4.28Å; F223-M247 HydrophobicContact CG-CE 4Å; L243-M247 HydrophobicContact CD1-CE 4.05Å; L243-M247 HydrophobicContact CD2-CE 3.89Å; L243-M247 HydrophobicContact CD2-CG 4.14Å; L243-M247 HydrophobicContact CG-CE 3.77Å; L243-M247 WeakPolarHBondContact O-CG 3.34Å; L243-M247 PolarHBondContact O-N 3.48Å; G244-M247 PolarHBondContact O-N 2.82Å; R245-M247 VanDerWaalsContact C-N 3.34Å; M247-M250 CarbonylContact O-C 3.41Å; M247-M250 PolarHBondContact O-N 3.48Å; M247-N251 PolarHBondContact O-N 3.39Å; M247-V252 HydrophobicContact CB-CB 4Å; M247-V252 HydrophobicContact CB-CG1 4.39Å; M247-V252 HydrophobicContact CG-CB 4.48Å; M247-V252 HydrophobicContact CG-CG1 4.49Å; M247-V252 PolarHBondContact O-N 3.37Å; M247-V252 HydrophobicContact SD-CB 3.88Å; M247-V252 HydrophobicContact SD-CG1 3.82Å; M247-V252 HydrophobicContact SD-CG2 4Å
248	E	98.5	Very high	98.1	Very high	64 Å²	64	36.4 Å²	36.4	30%	0.299	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-47	175.2	-172.6	171.1	-102.6	0	0	113	V202 K203 Q204 G244 R245 C246 M250 N251	V202-E248 HydrophobicContact CG1-CB 4.02Å; V202-E248 HydrophobicContact CG1-CG 4.4Å; V202-E248 WeakPolarHBondContact CG1-OE1 3.49Å; K203-E248 WeakPolarHBondContact CA-OE1 3.48Å; K203-E248 VanDerWaalsContact CB-OE1 3.27Å; K203-E248 WeakPolarHBondContact CB-OE1 3.42Å; K203-E248 PolarHBondContact N-OE1 3.44Å; Q204-E248 HydrophobicContact CG-CB 4.2Å; Q204-E248 HydrophobicContact CG-CG 4.24Å; Q204-E248 WeakPolarHBondContact CG-OE1 3.48Å; Q204-E248 PolarHBondContact N-OE1 3.21Å; G244-E248 PolarHBondContact O-N 3.01Å; R245-E248 PolarHBondContact O-N 3.3Å; C246-E248 VanDerWaalsContact C-N 3.32Å; C246-E248 PolarHBondContact O-N 3.14Å; E248-M250 PolarHBondContact O-N 3.11Å; E248-N251 PolarHBondContact O-N 2.82Å; E248-N251 VanDerWaalsContact O-N 3.17Å
249	I	98.3	Very high	98.1	Very high	93 Å²	93	32.7 Å²	32.7	48%	0.477	16%	0.157	S	C	.	.	H	α-helix	trans	-58.5	-37.4	177.3	-69.9	165.6	0	0	0	111.3	K231 R245 C246 N251	K231-I249 HydrophobicContact CB-CG2 4.25Å; R245-I249 WeakPolarHBondContact O-CG1 3.39Å; R245-I249 PolarHBondContact O-N 2.84Å; C246-I249 PolarHBondContact O-N 2.9Å; I249-N251 VanDerWaalsContact C-N 3.31Å; I249-N251 PolarHBondContact O-N 2.66Å
250	M	98.5	Very high	97.9	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.069	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	10.5	-176.8	-63.7	-53.8	-70.3	0	0	114.3	R222 A226 K231 C246 M247 E248 V252	R222-M250 HydrophobicContact CB-CB 4.2Å; R222-M250 HydrophobicContact CB-CE 4.24Å; R222-M250 WeakPolarHBondContact CD-O 3.35Å; R222-M250 PolarHBondContact NH1-O 3.2Å; R222-M250 WeakPolarHBondContact O-CE 3.15Å; A226-M250 HydrophobicContact CB-CE 3.9Å; A226-M250 HydrophobicContact CB-CG 3.55Å; A226-M250 HydrophobicContact CB-SD 3.46Å; A226-M250 WeakPolarHBondContact CB-SD 3.49Å; K231-M250 HydrophobicContact CB-SD 4.11Å; K231-M250 HydrophobicContact CD-CE 4.26Å; K231-M250 HydrophobicContact CD-SD 3.66Å; C246-M250 WeakPolarHBondContact O-CB 3.09Å; C246-M250 WeakPolarHBondContact O-CG 3.17Å; C246-M250 PolarHBondContact O-N 3.17Å; M247-M250 CarbonylContact O-C 3.41Å; M247-M250 PolarHBondContact O-N 3.48Å; E248-M250 PolarHBondContact O-N 3.11Å; M250-V252 HydrophobicContact CB-CG2 4.28Å; M250-V252 PolarHBondContact O-N 3.26Å
251	N	98.5	Very high	97.5	Very high	127 Å²	127	40.9 Å²	40.9	68%	0.679	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	43.4	-177.2	-56.4	-65.5	0	0	0	112.3	R222 M247 E248 I249	R222-N251 PolarHBondContact NH1-O 2.77Å; R222-N251 VanDerWaalsContact NH1-O 3.13Å; M247-N251 PolarHBondContact O-N 3.39Å; E248-N251 PolarHBondContact O-N 2.82Å; E248-N251 VanDerWaalsContact O-N 3.17Å; I249-N251 VanDerWaalsContact C-N 3.31Å; I249-N251 PolarHBondContact O-N 2.66Å
252	V	98.9	Very high	97.4	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.216	C	C	.	.			trans	-93.5	121.1	167.9	178.8	0	0	0	0	107.7	P191 Y193 Q204 A219 R222 M247 M250	P191-V252 HydrophobicContact CB-CG2 4.3Å; P191-V252 CarbonylContact O-C 2.99Å; P191-V252 WeakPolarHBondContact O-CA 3.1Å; Y193-V252 HydrophobicContact CD1-CG1 3.79Å; Y193-V252 HydrophobicContact CG-CG1 4.34Å; Q204-V252 PolarHBondContact NE2-O 3.23Å; Q204-V252 PolarHBondContact OE1-O 2.84Å; A219-V252 HydrophobicContact CB-CG1 3.59Å; A219-V252 HydrophobicContact CB-CG2 4.18Å; R222-V252 HydrophobicContact CB-CG2 4.22Å; M247-V252 HydrophobicContact CB-CB 4Å; M247-V252 HydrophobicContact CB-CG1 4.39Å; M247-V252 HydrophobicContact CG-CB 4.48Å; M247-V252 HydrophobicContact CG-CG1 4.49Å; M247-V252 PolarHBondContact O-N 3.37Å; M247-V252 HydrophobicContact SD-CB 3.88Å; M247-V252 HydrophobicContact SD-CG1 3.82Å; M247-V252 HydrophobicContact SD-CG2 4Å; M250-V252 HydrophobicContact CB-CG2 4.28Å; M250-V252 PolarHBondContact O-N 3.26Å
253	E	98.7	Very high	97.3	Very high	124 Å²	124	44.5 Å²	44.5	58%	0.579	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.7	-175.6	-177.7	175.3	166	0	0	111.7	P191 I192 Y193 G255	P191-E253 PolarHBondContact O-N 3.28Å; I192-E253 WeakPolarHBondContact CA-O 3.32Å; I192-E253 HydrophobicContact CG1-CB 4.4Å; I192-E253 WeakPolarHBondContact CG1-O 3.38Å; Y193-E253 WeakPolarHBondContact CD1-O 3.2Å; Y193-E253 PolarHBondContact N-O 3.21Å; E253-G255 PolarHBondContact O-N 2.85Å; E253-G255 VanDerWaalsContact O-N 3.1Å
254	A	98.7	Very high	97.2	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	94.6	166.3	0	0	0	0	0	110.7	Y193 R197 Q204 M207	Y193-A254 VanDerWaalsContact CE1-CA 3.44Å; Y193-A254 HydrophobicContact CE1-CB 3.72Å; R197-A254 PolarHBondContact NH1-O 2.86Å; Q204-A254 HydrophobicContact CG-CB 4.33Å; M207-A254 HydrophobicContact CE-CB 3.69Å
255	G	98.3	Very high	97.2	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	23%	0.23	C	C	.	.			trans	-68.4	151.7	-178.8	0	0	0	0	0	113.4	Y193 E253 S257	Y193-G255 PolarHBondContact O-N 2.03Å; E253-G255 PolarHBondContact O-N 2.85Å; E253-G255 VanDerWaalsContact O-N 3.1Å; G255-S257 PolarHBondContact O-N 3.48Å
256	D	97.9	Very high	97.2	Very high	55 Å²	55	41.1 Å²	41.1	29%	0.294	22%	0.215	S	C	.	.			trans	-81.2	111.1	174.1	-163.4	-2.5	0	0	0	110.2	Y186 R258 Y292	Y186-D256 PolarHBondContact OH-O 3.01Å; D256-R258 WeakPolarHBondContact OD1-CB 3.36Å; D256-R258 WeakPolarHBondContact OD1-CG 3.41Å; D256-R258 IonicContact OD1-CZ 3.88Å; D256-R258 PolarHBondContact OD1-N 2.86Å; D256-R258 IonicContact OD1-NE 2.96Å; D256-R258 PolarHBondContact OD1-NE 3.12Å; D256-R258 IonicContact OD1-NH2 3.9Å; D256-R258 IonicContact OD2-CZ 3.41Å; D256-R258 IonicContact OD2-NE 3.25Å; D256-R258 PolarHBondContact OD2-NE 3.46Å; D256-R258 IonicContact OD2-NH2 2.72Å; D256-R258 PolarHBondContact OD2-NH2 3.41Å; D256-Y292 VanDerWaalsContact CG-OH 3.26Å; D256-Y292 PolarHBondContact OD1-OH 3.01Å
257	S	98	Very high	97.2	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.215	C	C	.	.			trans	-88.9	-4.7	-179.3	58.5	0	0	0	0	113.2	L182 G195 G255 T265	L182-S257 WeakPolarHBondContact CD1-O 3.25Å; G195-S257 PolarHBondContact O-OG 2.88Å; G255-S257 PolarHBondContact O-N 3.48Å; S257-T265 VanDerWaalsContact O-CG2 3.3Å; S257-T265 WeakPolarHBondContact O-CG2 3.47Å; S257-T265 PolarHBondContact O-OG1 3.45Å
258	R	97.3	Very high	97.1	Very high	64 Å²	64	41.2 Å²	41.2	24%	0.242	22%	0.216	C	C	.	.	S	Bend	trans	-67.1	157.5	179.5	-63.3	178	-58.8	154	3.4	111.4	D256 G262 K263 Y292	D256-R258 WeakPolarHBondContact OD1-CB 3.36Å; D256-R258 WeakPolarHBondContact OD1-CG 3.41Å; D256-R258 IonicContact OD1-CZ 3.88Å; D256-R258 PolarHBondContact OD1-N 2.86Å; D256-R258 IonicContact OD1-NE 2.96Å; D256-R258 PolarHBondContact OD1-NE 3.12Å; D256-R258 IonicContact OD1-NH2 3.9Å; D256-R258 IonicContact OD2-CZ 3.41Å; D256-R258 IonicContact OD2-NE 3.25Å; D256-R258 PolarHBondContact OD2-NE 3.46Å; D256-R258 IonicContact OD2-NH2 2.72Å; D256-R258 PolarHBondContact OD2-NH2 3.41Å; R258-G262 WeakPolarHBondContact CD-O 3.34Å; R258-K263 CarbonylContact C-O 3.52Å; R258-K263 WeakPolarHBondContact CA-O 3.36Å; R258-K263 VanDerWaalsContact CB-O 3.22Å; R258-K263 WeakPolarHBondContact CB-O 3.41Å; R258-Y292 VanDerWaalsContact CD-CD2 3.45Å; R258-Y292 HydrophobicContact CG-CD2 4.27Å; R258-Y292 HydrophobicContact CG-CE2 4.19Å; R258-Y292 VanDerWaalsContact CZ-CD1 3.44Å
259	D	94.3	Very high	96.9	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.053	20%	0.201	C	C	.	.			trans	-71.7	-178.9	176.2	73	11.8	0	0	0	112.8	W181 I261 G262 K263 T265 S302 Y335	W181-D259 HydrophobicContact CH2-CB 4.25Å; D259-I261 PolarHBondContact O-N 3.01Å; D259-I261 VanDerWaalsContact O-N 3.08Å; D259-I261 WeakPolarHBondContact OD1-CG1 3.25Å; D259-I261 PolarHBondContact OD1-N 2.84Å; D259-I261 VanDerWaalsContact OD1-N 3.08Å; D259-G262 PolarHBondContact O-N 2.87Å; D259-G262 PolarHBondContact OD1-N 3.29Å; D259-K263 PolarHBondContact N-O 3.25Å; D259-K263 PolarHBondContact OD1-N 2.57Å; D259-T265 HydrophobicContact CB-CG2 4.45Å; D259-S302 WeakPolarHBondContact CB-OG 2.97Å; D259-S302 VanDerWaalsContact OD2-CB 3.28Å; D259-S302 WeakPolarHBondContact OD2-CB 3.34Å; D259-S302 PolarHBondContact OD2-OG 2.89Å; D259-Y335 HydrophobicContact CB-CE1 4.44Å
260	T	91.9	Very high	96.7	Very high	89 Å²	89	33.9 Å²	33.9	55%	0.546	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.3	-173.2	66.8	0	0	0	0	114.2	W181 Y335 P337	W181-T260 HydrophobicContact CZ2-CG2 4.35Å; T260-Y335 PolarHBondContact N-OH 3.24Å; T260-Y335 PolarHBondContact OG1-OH 3.39Å; T260-P337 HydrophobicContact CG2-CB 4.28Å
261	I	91.2	Very high	96.6	Very high	116 Å²	116	34.4 Å²	34.4	60%	0.595	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.6	10.5	174.4	61.3	168.3	0	0	0	112.2	D259 K263	D259-I261 PolarHBondContact O-N 3.01Å; D259-I261 VanDerWaalsContact O-N 3.08Å; D259-I261 WeakPolarHBondContact OD1-CG1 3.25Å; D259-I261 PolarHBondContact OD1-N 2.84Å; D259-I261 VanDerWaalsContact OD1-N 3.08Å; I261-K263 HydrophobicContact CD1-CD 4.04Å; I261-K263 HydrophobicContact CD1-CG 4.25Å; I261-K263 HydrophobicContact CG1-CD 4.42Å; I261-K263 HydrophobicContact CG1-CG 4.19Å
262	G	94.3	Very high	96.2	Very high	30 Å²	30	32.2 Å²	32.2	31%	0.309	17%	0.169	S	C	.	.			trans	81.2	21.8	172.4	0	0	0	0	0	115.1	R258 D259	R258-G262 WeakPolarHBondContact CD-O 3.34Å; D259-G262 PolarHBondContact O-N 2.87Å; D259-G262 PolarHBondContact OD1-N 3.29Å
263	K	95.9	Very high	95.9	Very high	53 Å²	53	32.2 Å²	32.2	23%	0.23	17%	0.17	C	C	.	.			trans	-85.5	146.1	172.6	-64.1	-179.2	168.8	-170.1	0	111.8	R258 D259 I261 C301	R258-K263 CarbonylContact C-O 3.52Å; R258-K263 WeakPolarHBondContact CA-O 3.36Å; R258-K263 VanDerWaalsContact CB-O 3.22Å; R258-K263 WeakPolarHBondContact CB-O 3.41Å; D259-K263 PolarHBondContact N-O 3.25Å; D259-K263 PolarHBondContact OD1-N 2.57Å; I261-K263 HydrophobicContact CD1-CD 4.04Å; I261-K263 HydrophobicContact CD1-CG 4.25Å; I261-K263 HydrophobicContact CG1-CD 4.42Å; I261-K263 HydrophobicContact CG1-CG 4.19Å; K263-C301 WeakPolarHBondContact CD-O 3.47Å; K263-C301 PolarHBondContact NZ-O 3.1Å
264	E	97.7	Very high	95.7	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.065	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-64.7	139.8	178.2	-64	-71.6	175.8	0	0	111.5	R196 H267 Y292 S302	R196-E264 WeakPolarHBondContact CD-OE2 3.46Å; R196-E264 IonicContact CZ-OE1 3.88Å; R196-E264 IonicContact CZ-OE2 3.82Å; R196-E264 IonicContact NE-OE1 3.97Å; R196-E264 IonicContact NE-OE2 3.82Å; R196-E264 VanDerWaalsContact NH1-CG 3.34Å; R196-E264 IonicContact NH1-OE2 3.61Å; E264-H267 PolarHBondContact O-CE1 2.91Å; E264-H267 PolarHBondContact O-NE2 2.67Å; E264-Y292 WeakPolarHBondContact OE1-CD2 3.48Å; E264-S302 WeakPolarHBondContact O-CB 3.29Å; E264-S302 PolarHBondContact O-N 3.05Å
265	T	98	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.			trans	-113.4	-27.9	176.6	58.2	0	0	0	0	112.3	S257 D259 H267 A305 V306 S307	S257-T265 VanDerWaalsContact O-CG2 3.3Å; S257-T265 WeakPolarHBondContact O-CG2 3.47Å; S257-T265 PolarHBondContact O-OG1 3.45Å; D259-T265 HydrophobicContact CB-CG2 4.45Å; T265-H267 PolarHBondContact O-CD2 2.77Å; T265-A305 CarbonylContact O-C 3.54Å; T265-V306 WeakPolarHBondContact O-CA 3.32Å; T265-V306 PolarHBondContact O-N 2.9Å; T265-S307 PolarHBondContact O-N 3.43Å
266	F	98.7	Very high	95.1	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128	174.9	-70.5	-103.7	0	0	0	109.8	L179 L182 R196 A211 G212 V214 V306 S307	L179-F266 HydrophobicContact CD1-CZ 3.91Å; L182-F266 HydrophobicContact CD1-CE2 4.05Å; R196-F266 HydrophobicContact CB-CB 3.79Å; R196-F266 WeakPolarHBondContact CD-O 3.22Å; R196-F266 PolarHBondContact NH1-O 3.33Å; R196-F266 VanDerWaalsContact NH1-O 3.11Å; A211-F266 HydrophobicContact CB-CB 4.22Å; G212-F266 WeakPolarHBondContact O-CD1 3.35Å; V214-F266 HydrophobicContact CG1-CZ 4.45Å; F266-V306 HydrophobicContact CD1-CG1 4.11Å; F266-V306 HydrophobicContact CD2-CB 4.24Å; F266-V306 HydrophobicContact CD2-CG1 4.41Å; F266-V306 HydrophobicContact CE1-CB 4.4Å; F266-V306 HydrophobicContact CE1-CG1 3.59Å; F266-V306 HydrophobicContact CE2-CB 4.05Å; F266-V306 HydrophobicContact CE2-CG1 3.93Å; F266-V306 HydrophobicContact CE2-CG2 4.21Å; F266-V306 HydrophobicContact CG-CG1 4.49Å; F266-V306 HydrophobicContact CZ-CB 4.15Å; F266-V306 HydrophobicContact CZ-CG1 3.5Å; F266-V306 VanDerWaalsContact CZ-CG1 3.5Å; F266-S307 WeakPolarHBondContact CD1-OG 3.47Å
267	H	98	Very high	94.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121	-172.6	-59	-82.9	0	0	0	111.7	E264 T265 F269 C301 S307 F308 H309	E264-H267 PolarHBondContact O-CE1 2.91Å; E264-H267 PolarHBondContact O-NE2 2.67Å; T265-H267 PolarHBondContact O-CD2 2.77Å; H267-F269 PolarHBondContact O-N 3.48Å; H267-C301 PolarHBondContact CE1-SG 3.29Å; H267-S307 WeakPolarHBondContact CA-O 3.49Å; H267-S307 WeakPolarHBondContact CB-O 3.43Å; H267-S307 PolarHBondContact CD2-O 2.81Å; H267-S307 VanDerWaalsContact CD2-O 3.28Å; H267-S307 PolarHBondContact N-O 2.9Å; H267-F308 HydrophobicContact CB-CD1 3.5Å; H267-F308 HydrophobicContact CB-CE1 3.77Å; H267-F308 HydrophobicContact CB-CG 4.25Å; H267-F308 AromaticContact CD2-CD1 3.97Å; H267-F308 AromaticContact CD2-CE1 3.45Å; H267-F308 VanDerWaalsContact CD2-CE1 3.45Å; H267-F308 WeakPolarHBondContact CD2-CE1 3.24Å; H267-F308 AromaticContact CD2-CZ 3.62Å; H267-F308 AromaticContact CG-CD1 3.83Å; H267-F308 AromaticContact CG-CE1 3.53Å; H267-H309 PolarHBondContact O-N 2.84Å
268	P	96.6	Very high	94.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	19%	0.191	C	C	.	.	S	Bend	trans	-80.2	7.3	-175.5	32.6	-34.2	0	0	0	113.9	R196 F198 A211 Y286 H309	R196-P268 HydrophobicContact CG-CG 4.25Å; F198-P268 HydrophobicContact CE1-CG 4.41Å; F198-P268 HydrophobicContact CZ-CB 4.05Å; F198-P268 HydrophobicContact CZ-CG 4.15Å; A211-P268 HydrophobicContact CB-CB 4.36Å; P268-Y286 HydrophobicContact CG-CD2 4.32Å; P268-Y286 HydrophobicContact CG-CE2 3.92Å; P268-H309 PolarHBondContact O-ND1 3.38Å
269	F	95.7	Very high	93.8	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.183	C	C	.	.	S	Bend	trans	-146.7	171.1	178.2	-51	-75.2	0	0	0	110.9	P46 H267 H273 H274 L280 F284 W285 Y286 H309 Y310	P46-F269 HydrophobicContact CB-CD1 4.21Å; P46-F269 HydrophobicContact CB-CE1 4.2Å; H267-F269 PolarHBondContact O-N 3.48Å; F269-H273 HydrophobicContact CB-CB 3.84Å; F269-H273 HydrophobicContact CG-CB 4.45Å; F269-H273 AromaticContact CG-ND1 3.92Å; F269-H274 AromaticContact CD2-CE1 3.77Å; F269-H274 AromaticContact CD2-NE2 3.94Å; F269-H274 PolarHBondContact O-NE2 3.16Å; F269-L280 HydrophobicContact CD2-CD1 4.21Å; F269-L280 HydrophobicContact CE2-CD1 4.23Å; F269-F284 AromaticContact CE1-CE1 3.92Å; F269-F284 HydrophobicContact CE1-CE1 3.92Å; F269-F284 HydrophobicContact CE1-CZ 4.07Å; F269-F284 HydrophobicContact CE2-CE1 4.1Å; F269-F284 AromaticContact CZ-CE1 3.45Å; F269-F284 HydrophobicContact CZ-CE1 3.45Å; F269-F284 VanDerWaalsContact CZ-CE1 3.45Å; F269-F284 AromaticContact CZ-CZ 3.95Å; F269-F284 HydrophobicContact CZ-CZ 3.95Å; F269-W285 HydrophobicContact CE1-CZ2 4.12Å; F269-W285 AromaticContact CZ-CH2 3.93Å; F269-W285 HydrophobicContact CZ-CH2 3.93Å; F269-W285 AromaticContact CZ-CZ2 3.53Å; F269-W285 HydrophobicContact CZ-CZ2 3.53Å; F269-Y286 HydrophobicContact CD2-CD2 4.47Å; F269-Y286 HydrophobicContact CE2-CD1 4.3Å; F269-Y286 AromaticContact CE2-CD2 3.56Å; F269-Y286 HydrophobicContact CE2-CD2 3.56Å; F269-Y286 HydrophobicContact CE2-CE2 4.02Å; F269-Y286 AromaticContact CE2-CG 3.69Å; F269-Y286 HydrophobicContact CE2-CG 3.69Å; F269-Y286 HydrophobicContact CZ-CD2 4.38Å; F269-Y286 HydrophobicContact CZ-CG 4.4Å; F269-H309 CarbonylContact C-O 3.55Å; F269-H309 WeakPolarHBondContact CA-O 2.99Å; F269-Y310 AromaticContact CD1-CD2 3.71Å; F269-Y310 HydrophobicContact CD1-CD2 3.71Å; F269-Y310 AromaticContact CD1-CE2 3.66Å; F269-Y310 HydrophobicContact CD1-CE2 3.66Å; F269-Y310 HydrophobicContact CE1-CD2 4.43Å; F269-Y310 AromaticContact CE1-CE2 3.92Å; F269-Y310 HydrophobicContact CE1-CE2 3.92Å
270	V	94.3	Very high	93.5	Very high	3 Å²	3	33 Å²	33	2%	0.018	18%	0.181	C	C	.	.			trans	-58.4	155	174.2	-70.7	0	0	0	0	111.8	E272 H273 H274 H309 Y310	V270-E272 VanDerWaalsContact C-N 3.29Å; V270-E272 HydrophobicContact CB-CG 4.24Å; V270-E272 HydrophobicContact CG2-CG 3.5Å; V270-E272 VanDerWaalsContact CG2-CG 3.5Å; V270-E272 PolarHBondContact O-N 3.43Å; V270-H273 HydrophobicContact CG2-CB 4.36Å; V270-H273 PolarHBondContact O-N 2.68Å; V270-H274 PolarHBondContact O-CD2 2.98Å; V270-H274 VanDerWaalsContact O-CD2 3.27Å; V270-H309 WeakPolarHBondContact CA-O 3.03Å; V270-H309 WeakPolarHBondContact CG1-O 3.48Å; V270-H309 PolarHBondContact N-O 3.3Å; V270-Y310 WeakPolarHBondContact CG1-O 3.45Å
271	P	94.8	Very high	93.3	Very high	24 Å²	24	31 Å²	31	16%	0.156	17%	0.17	C	C	.	.	H	α-helix	trans	-52.3	-42.3	-178	-26.8	32.6	0	0	0	114.3	H273 H274 L275 F308 L319	P271-H273 VanDerWaalsContact C-N 3.27Å; P271-H273 PolarHBondContact O-N 3.48Å; P271-H274 PolarHBondContact O-N 3.38Å; P271-L275 HydrophobicContact CB-CD1 3.84Å; P271-L275 WeakPolarHBondContact O-CB 3.34Å; P271-L275 VanDerWaalsContact O-CG 3.31Å; P271-L275 WeakPolarHBondContact O-CG 3.45Å; P271-L275 PolarHBondContact O-N 3.37Å; P271-F308 HydrophobicContact CB-CD1 4.27Å; P271-F308 HydrophobicContact CB-CE1 4.18Å; P271-F308 HydrophobicContact CG-CB 4.47Å; P271-F308 HydrophobicContact CG-CD1 3.78Å; P271-F308 HydrophobicContact CG-CD2 4.35Å; P271-F308 HydrophobicContact CG-CE1 4.07Å; P271-F308 HydrophobicContact CG-CG 3.94Å; P271-F308 HydrophobicContact CG-CZ 4.47Å; P271-L319 HydrophobicContact CG-CD2 4.05Å
272	E	91.9	Very high	93.2	Very high	81 Å²	81	33.3 Å²	33.3	38%	0.379	17%	0.171	S	C	.	.	H	α-helix	trans	-58.8	-33.6	-177.5	54.4	179	-129.6	0	0	113.8	H50 V270 H274 I276 Y279	H50-E272 IonicContact CE1-OE1 2.86Å; V270-E272 VanDerWaalsContact C-N 3.29Å; V270-E272 HydrophobicContact CB-CG 4.24Å; V270-E272 HydrophobicContact CG2-CG 3.5Å; V270-E272 VanDerWaalsContact CG2-CG 3.5Å; V270-E272 PolarHBondContact O-N 3.43Å; E272-H274 PolarHBondContact O-N 2.79Å; E272-I276 WeakPolarHBondContact O-CB 3.25Å; E272-I276 WeakPolarHBondContact O-CG1 3.44Å; E272-I276 PolarHBondContact O-N 3.22Å; E272-I276 VanDerWaalsContact O-N 3.14Å; E272-Y279 HydrophobicContact CB-CE2 4.27Å; E272-Y279 HydrophobicContact CG-CE2 4.22Å; E272-Y279 PolarHBondContact OE1-OH 2.93Å
273	H	92.2	Very high	92.9	Very high	2 Å²	2	38 Å²	38	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-19.4	178.8	-68.5	-179.1	0	0	0	113.2	F269 V270 P271 Y279 L280	F269-H273 HydrophobicContact CB-CB 3.84Å; F269-H273 HydrophobicContact CG-CB 4.45Å; F269-H273 AromaticContact CG-ND1 3.92Å; V270-H273 HydrophobicContact CG2-CB 4.36Å; V270-H273 PolarHBondContact O-N 2.68Å; P271-H273 VanDerWaalsContact C-N 3.27Å; P271-H273 PolarHBondContact O-N 3.48Å; H273-Y279 AromaticContact CD2-CD1 3.32Å; H273-Y279 WeakPolarHBondContact CD2-CD1 3.17Å; H273-Y279 AromaticContact CD2-CE1 2.99Å; H273-Y279 WeakPolarHBondContact CD2-CE1 3.38Å; H273-Y279 AromaticContact CD2-CZ 3.4Å; H273-Y279 VanDerWaalsContact CD2-CZ 3.4Å; H273-Y279 AromaticContact NE2-CD1 3.94Å; H273-Y279 AromaticContact NE2-CE1 3.17Å; H273-Y279 WeakPolarHBondContact NE2-CE1 3.4Å; H273-Y279 AromaticContact NE2-CZ 3.56Å; H273-Y279 PolarHBondContact NE2-OH 3.3Å; H273-L280 HydrophobicContact CB-CD1 4.17Å; H273-L280 HydrophobicContact CB-CD2 4.26Å; H273-L280 HydrophobicContact CB-CG 4.15Å
274	H	93.9	Very high	92.6	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-102	-39.9	177.4	-55.4	-79.6	0	0	0	111.9	F269 V270 P271 E272 Y286 G297 C300 C301	F269-H274 AromaticContact CD2-CE1 3.77Å; F269-H274 AromaticContact CD2-NE2 3.94Å; F269-H274 PolarHBondContact O-NE2 3.16Å; V270-H274 PolarHBondContact O-CD2 2.98Å; V270-H274 VanDerWaalsContact O-CD2 3.27Å; P271-H274 PolarHBondContact O-N 3.38Å; E272-H274 PolarHBondContact O-N 2.79Å; H274-Y286 PolarHBondContact ND1-OH 3.45Å; H274-G297 PolarHBondContact O-N 3.45Å; H274-C300 HydrophobicContact CB-CB 4.13Å; H274-C300 VanDerWaalsContact CB-SG 3.55Å; H274-C300 PolarHBondContact O-SG 2.82Å; H274-C301 VanDerWaalsContact CB-SG 3.55Å
275	L	93.4	Very high	92.3	Very high	75 Å²	75	39.8 Å²	39.8	39%	0.393	20%	0.199	S	C	.	.	H	α-helix	trans	-77.4	-26.8	-173.3	-67.9	172.1	0	0	0	113.6	P271 G297	P271-L275 HydrophobicContact CB-CD1 3.84Å; P271-L275 WeakPolarHBondContact O-CB 3.34Å; P271-L275 VanDerWaalsContact O-CG 3.31Å; P271-L275 WeakPolarHBondContact O-CG 3.45Å; P271-L275 PolarHBondContact O-N 3.37Å; L275-G297 CarbonylContact O-C 3.47Å; L275-G297 VanDerWaalsContact O-CA 3.23Å; L275-G297 WeakPolarHBondContact O-CA 3.46Å
276	I	91.4	Very high	92	Very high	71 Å²	71	40 Å²	40	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-99.9	115	-179.3	-53.1	-57	0	0	0	109.3	P39 V41 E272 G278 Y279	P39-I276 HydrophobicContact CG-CG2 3.72Å; V41-I276 HydrophobicContact CG2-CG2 4.12Å; E272-I276 WeakPolarHBondContact O-CB 3.25Å; E272-I276 WeakPolarHBondContact O-CG1 3.44Å; E272-I276 PolarHBondContact O-N 3.22Å; E272-I276 VanDerWaalsContact O-N 3.14Å; I276-G278 PolarHBondContact O-N 3.21Å; I276-Y279 HydrophobicContact CB-CD2 4.06Å; I276-Y279 HydrophobicContact CG1-CD2 4.46Å; I276-Y279 HydrophobicContact CG2-CD2 4.29Å; I276-Y279 WeakPolarHBondContact O-CB 3.35Å; I276-Y279 PolarHBondContact O-N 3.19Å
277	K	89.9	Confident	91.7	Very high	77 Å²	77	41.6 Å²	41.6	34%	0.335	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	135.3	177.5	-70.4	-175.9	-179.7	177	0	110.8	P39 Y279 E296	P39-K277 WeakPolarHBondContact CD-O 3.45Å; K277-Y279 PolarHBondContact O-N 2.98Å; K277-E296 HydrophobicContact CG-CB 4.43Å
278	G	87.4	Confident	91.5	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	4.8	176.2	0	0	0	0	0	114.3	I276 E296	I276-G278 PolarHBondContact O-N 3.21Å; G278-E296 PolarHBondContact N-OE1 3.39Å; G278-E296 VanDerWaalsContact N-OE1 3.15Å
279	Y	87.9	Confident	91.5	Very high	19 Å²	19	49.9 Å²	49.9	8%	0.075	25%	0.247	C	C	.	.	S	Bend	trans	-60.6	-46.1	175	-166.2	-64.7	0	0	0	111	V41 H43 E272 H273 I276 K277	V41-Y279 HydrophobicContact CG1-CD1 4.34Å; V41-Y279 HydrophobicContact CG1-CD2 3.55Å; V41-Y279 HydrophobicContact CG1-CE1 4.45Å; V41-Y279 HydrophobicContact CG1-CE2 3.77Å; V41-Y279 HydrophobicContact CG1-CG 3.87Å; H43-Y279 PolarHBondContact CE1-O 3.02Å; H43-Y279 PolarHBondContact ND1-O 2.98Å; E272-Y279 HydrophobicContact CB-CE2 4.27Å; E272-Y279 HydrophobicContact CG-CE2 4.22Å; E272-Y279 PolarHBondContact OE1-OH 2.93Å; H273-Y279 AromaticContact CD2-CD1 3.32Å; H273-Y279 WeakPolarHBondContact CD2-CD1 3.17Å; H273-Y279 AromaticContact CD2-CE1 2.99Å; H273-Y279 WeakPolarHBondContact CD2-CE1 3.38Å; H273-Y279 AromaticContact CD2-CZ 3.4Å; H273-Y279 VanDerWaalsContact CD2-CZ 3.4Å; H273-Y279 AromaticContact NE2-CD1 3.94Å; H273-Y279 AromaticContact NE2-CE1 3.17Å; H273-Y279 WeakPolarHBondContact NE2-CE1 3.4Å; H273-Y279 AromaticContact NE2-CZ 3.56Å; H273-Y279 PolarHBondContact NE2-OH 3.3Å; I276-Y279 HydrophobicContact CB-CD2 4.06Å; I276-Y279 HydrophobicContact CG1-CD2 4.46Å; I276-Y279 HydrophobicContact CG2-CD2 4.29Å; I276-Y279 WeakPolarHBondContact O-CB 3.35Å; I276-Y279 PolarHBondContact O-N 3.19Å; K277-Y279 PolarHBondContact O-N 2.98Å
280	L	88.1	Confident	91.5	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.25	C	C	.	.	S	Bend	trans	-90.7	128.3	175.5	-64.5	177.2	0	0	0	110	P46 F269 H273 F284 Y286 W287	P46-L280 HydrophobicContact CB-CD2 3.81Å; P46-L280 HydrophobicContact CG-CD2 4.17Å; F269-L280 HydrophobicContact CD2-CD1 4.21Å; F269-L280 HydrophobicContact CE2-CD1 4.23Å; H273-L280 HydrophobicContact CB-CD1 4.17Å; H273-L280 HydrophobicContact CB-CD2 4.26Å; H273-L280 HydrophobicContact CB-CG 4.15Å; L280-F284 HydrophobicContact CB-CD1 4.3Å; L280-F284 HydrophobicContact CD1-CD1 4.07Å; L280-F284 HydrophobicContact CD1-CE1 4.23Å; L280-F284 HydrophobicContact CD2-CD1 4.04Å; L280-F284 HydrophobicContact CD2-CE1 4.04Å; L280-F284 HydrophobicContact CG-CD1 4.37Å; L280-Y286 HydrophobicContact CD1-CD1 3.84Å; L280-Y286 HydrophobicContact CD1-CE1 4.22Å; L280-W287 HydrophobicContact CB-CZ2 3.78Å
281	P	88.5	Confident	91.7	Very high	46 Å²	46	54.3 Å²	54.3	30%	0.299	27%	0.265	S	S	.	.			trans	-64.1	145.1	-179.8	25.6	-31.1	0	0	0	110.4	T283 F284 W287	P281-T283 PolarHBondContact O-N 2.78Å; P281-F284 HydrophobicContact CG-CB 4.15Å; P281-F284 WeakPolarHBondContact O-CB 3.48Å; P281-F284 PolarHBondContact O-N 2.93Å; P281-W287 PolarHBondContact O-NE1 3.3Å
282	R	87.9	Confident	91.8	Very high	166 Å²	166	54.5 Å²	54.5	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.4	-179.1	-69.9	-64.7	-173.1	-157.1	-8.8	114.4	F284 W287 E296	R282-F284 VanDerWaalsContact C-N 3.29Å; R282-W287 VanDerWaalsContact O-CD1 3.25Å; R282-E296 IonicContact CZ-OE2 2.95Å; R282-E296 IonicContact NH1-OE2 2.64Å; R282-E296 PolarHBondContact NH1-OE2 3.39Å; R282-E296 IonicContact NH2-OE2 2.64Å; R282-E296 PolarHBondContact NH2-OE2 3.41Å
283	T	87.8	Confident	91.9	Very high	129 Å²	129	56 Å²	56	79%	0.791	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.1	175.4	51.2	0	0	0	0	113.4	P281	P281-T283 PolarHBondContact O-N 2.78Å
284	F	90.6	Very high	91.9	Very high	26 Å²	26	58.4 Å²	58.4	11%	0.114	30%	0.295	C	S	.	.	S	Bend	trans	-66.7	141.3	-177.9	-167.3	-131.6	0	0	0	111.8	P46 H47 F269 L280 P281 R282 Y286 W287	P46-F284 HydrophobicContact CB-CE1 4.19Å; P46-F284 HydrophobicContact CB-CZ 3.91Å; P46-F284 HydrophobicContact CG-CD2 4.32Å; P46-F284 HydrophobicContact CG-CE1 3.77Å; P46-F284 HydrophobicContact CG-CE2 3.48Å; P46-F284 VanDerWaalsContact CG-CE2 3.48Å; P46-F284 HydrophobicContact CG-CZ 3.16Å; H47-F284 AromaticContact NE2-CE2 3.66Å; H47-F284 AromaticContact NE2-CZ 3.46Å; H47-F284 WeakPolarHBondContact NE2-CZ 3.41Å; F269-F284 AromaticContact CE1-CE1 3.92Å; F269-F284 HydrophobicContact CE1-CE1 3.92Å; F269-F284 HydrophobicContact CE1-CZ 4.07Å; F269-F284 HydrophobicContact CE2-CE1 4.1Å; F269-F284 AromaticContact CZ-CE1 3.45Å; F269-F284 HydrophobicContact CZ-CE1 3.45Å; F269-F284 VanDerWaalsContact CZ-CE1 3.45Å; F269-F284 AromaticContact CZ-CZ 3.95Å; F269-F284 HydrophobicContact CZ-CZ 3.95Å; L280-F284 HydrophobicContact CB-CD1 4.3Å; L280-F284 HydrophobicContact CD1-CD1 4.07Å; L280-F284 HydrophobicContact CD1-CE1 4.23Å; L280-F284 HydrophobicContact CD2-CD1 4.04Å; L280-F284 HydrophobicContact CD2-CE1 4.04Å; L280-F284 HydrophobicContact CG-CD1 4.37Å; P281-F284 HydrophobicContact CG-CB 4.15Å; P281-F284 WeakPolarHBondContact O-CB 3.48Å; P281-F284 PolarHBondContact O-N 2.93Å; R282-F284 VanDerWaalsContact C-N 3.29Å; F284-Y286 PolarHBondContact O-N 2.59Å; F284-Y286 VanDerWaalsContact O-N 3.11Å; F284-W287 VanDerWaalsContact O-CD1 3.25Å; F284-W287 PolarHBondContact O-N 3.3Å
285	W	91.3	Very high	91.8	Very high	77 Å²	77	62.3 Å²	62.3	29%	0.292	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.3	-173.4	64.5	-96.6	0	0	0	113	H47 F198 F269 W287 N288 Y289	H47-W285 AromaticContact CE1-CE2 3.71Å; H47-W285 AromaticContact CE1-CZ2 3.55Å; H47-W285 AromaticContact CE1-NE1 3.32Å; H47-W285 PolarHBondContact CE1-NE1 3.08Å; H47-W285 VanDerWaalsContact CE1-NE1 3.32Å; H47-W285 AromaticContact NE2-CD1 3.87Å; H47-W285 AromaticContact NE2-CE2 3.73Å; H47-W285 AromaticContact NE2-NE1 2.87Å; H47-W285 PolarHBondContact NE2-NE1 3.28Å; F198-W285 HydrophobicContact CE1-CZ3 4.3Å; F198-W285 HydrophobicContact CE2-CH2 4.27Å; F198-W285 HydrophobicContact CE2-CZ3 4.19Å; F198-W285 AromaticContact CZ-CH2 3.88Å; F198-W285 HydrophobicContact CZ-CH2 3.88Å; F198-W285 AromaticContact CZ-CZ3 3.86Å; F198-W285 HydrophobicContact CZ-CZ3 3.86Å; F269-W285 HydrophobicContact CE1-CZ2 4.12Å; F269-W285 AromaticContact CZ-CH2 3.93Å; F269-W285 HydrophobicContact CZ-CH2 3.93Å; F269-W285 AromaticContact CZ-CZ2 3.53Å; F269-W285 HydrophobicContact CZ-CZ2 3.53Å; W285-W287 PolarHBondContact O-N 3.44Å; W285-W287 VanDerWaalsContact O-N 3.16Å; W285-N288 PolarHBondContact O-N 3.26Å; W285-Y289 HydrophobicContact CB-CD2 4.44Å; W285-Y289 HydrophobicContact CB-CE2 4.37Å; W285-Y289 AromaticContact CE3-CD1 3.75Å; W285-Y289 HydrophobicContact CE3-CD1 3.75Å; W285-Y289 AromaticContact CE3-CD2 3.68Å; W285-Y289 HydrophobicContact CE3-CD2 3.68Å; W285-Y289 HydrophobicContact CE3-CE1 4.21Å; W285-Y289 HydrophobicContact CE3-CE2 4.16Å; W285-Y289 AromaticContact CE3-CG 3.45Å; W285-Y289 HydrophobicContact CE3-CG 3.45Å; W285-Y289 VanDerWaalsContact CE3-CG 3.45Å; W285-Y289 AromaticContact CZ3-CD1 3.76Å; W285-Y289 HydrophobicContact CZ3-CD1 3.76Å; W285-Y289 HydrophobicContact CZ3-CD2 4.43Å; W285-Y289 HydrophobicContact CZ3-CE1 4.44Å; W285-Y289 AromaticContact CZ3-CG 3.74Å; W285-Y289 HydrophobicContact CZ3-CG 3.74Å; W285-Y289 WeakPolarHBondContact O-CD2 3.18Å; W285-Y289 PolarHBondContact O-N 3.37Å
286	Y	91.6	Very high	91.6	Very high	6 Å²	6	60 Å²	60	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-48	-46	-178.5	168.5	-119.3	0	0	0	112	R196 P268 F269 H274 L280 F284 N288 Y289 N290	R196-Y286 PolarHBondContact NH2-OH 3.22Å; P268-Y286 HydrophobicContact CG-CD2 4.32Å; P268-Y286 HydrophobicContact CG-CE2 3.92Å; F269-Y286 HydrophobicContact CD2-CD2 4.47Å; F269-Y286 HydrophobicContact CE2-CD1 4.3Å; F269-Y286 AromaticContact CE2-CD2 3.56Å; F269-Y286 HydrophobicContact CE2-CD2 3.56Å; F269-Y286 HydrophobicContact CE2-CE2 4.02Å; F269-Y286 AromaticContact CE2-CG 3.69Å; F269-Y286 HydrophobicContact CE2-CG 3.69Å; F269-Y286 HydrophobicContact CZ-CD2 4.38Å; F269-Y286 HydrophobicContact CZ-CG 4.4Å; H274-Y286 PolarHBondContact ND1-OH 3.45Å; L280-Y286 HydrophobicContact CD1-CD1 3.84Å; L280-Y286 HydrophobicContact CD1-CE1 4.22Å; F284-Y286 PolarHBondContact O-N 2.59Å; F284-Y286 VanDerWaalsContact O-N 3.11Å; Y286-N288 PolarHBondContact O-N 2.93Å; Y286-N288 VanDerWaalsContact O-N 3.16Å; Y286-Y289 PolarHBondContact O-N 3.4Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.4Å; Y286-N290 VanDerWaalsContact CE2-OD1 3.23Å; Y286-N290 WeakPolarHBondContact CE2-OD1 3.19Å; Y286-N290 PolarHBondContact O-N 2.84Å; Y286-N290 PolarHBondContact O-ND2 3.15Å
287	W	93.1	Very high	91.7	Very high	33 Å²	33	56.7 Å²	56.7	13%	0.125	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-33.8	-177.4	-56.9	117.2	0	0	0	113.2	L280 P281 R282 F284 W285 P294 E296	L280-W287 HydrophobicContact CB-CZ2 3.78Å; P281-W287 PolarHBondContact O-NE1 3.3Å; R282-W287 VanDerWaalsContact O-CD1 3.25Å; F284-W287 VanDerWaalsContact O-CD1 3.25Å; F284-W287 PolarHBondContact O-N 3.3Å; W285-W287 PolarHBondContact O-N 3.44Å; W285-W287 VanDerWaalsContact O-N 3.16Å; W287-P294 HydrophobicContact CE3-CB 3.98Å; W287-P294 HydrophobicContact CE3-CG 3.8Å; W287-P294 HydrophobicContact CZ3-CB 3.95Å; W287-P294 HydrophobicContact CZ3-CG 4.23Å; W287-E296 HydrophobicContact CH2-CG 3.22Å; W287-E296 WeakPolarHBondContact CH2-OE1 3.49Å; W287-E296 HydrophobicContact CZ2-CG 4.18Å; W287-E296 WeakPolarHBondContact CZ2-OE1 3.42Å; W287-E296 HydrophobicContact CZ3-CG 3.76Å
288	N	93.8	Very high	91.8	Very high	125 Å²	125	58.4 Å²	58.4	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-89.2	-12.2	-179.2	-64.6	-47	0	0	0	113.5	W285 Y286	W285-N288 PolarHBondContact O-N 3.26Å; Y286-N288 PolarHBondContact O-N 2.93Å; Y286-N288 VanDerWaalsContact O-N 3.16Å
289	Y	96	Very high	92	Very high	53 Å²	53	58.9 Å²	58.9	21%	0.208	31%	0.313	C	S	.	.	H	α-helix	trans	-92.1	-23.6	-177.9	-89.8	-125.1	0	0	0	113	F198 K199 P200 Y201 Y206 W285 Y286 Y291	F198-Y289 CarbonylContact C-O 3.6Å; F198-Y289 WeakPolarHBondContact CA-O 3.31Å; F198-Y289 HydrophobicContact CB-CD1 4.46Å; F198-Y289 HydrophobicContact CD2-CD1 4.26Å; F198-Y289 HydrophobicContact CG-CD1 4.26Å; K199-Y289 PolarHBondContact N-O 3.29Å; P200-Y289 HydrophobicContact CG-CD1 4.09Å; P200-Y289 HydrophobicContact CG-CD2 3.96Å; P200-Y289 HydrophobicContact CG-CE1 4.31Å; P200-Y289 HydrophobicContact CG-CE2 4.18Å; P200-Y289 HydrophobicContact CG-CG 3.91Å; Y201-Y289 HydrophobicContact CE2-CE1 4.13Å; Y201-Y289 AromaticContact CE2-CZ 3.95Å; Y201-Y289 WeakPolarHBondContact CE2-OH 3.33Å; Y201-Y289 PolarHBondContact OH-OH 3.43Å; Y201-Y289 VanDerWaalsContact OH-OH 3.1Å; Y206-Y289 WeakPolarHBondContact OH-CE1 3.23Å; W285-Y289 HydrophobicContact CB-CD2 4.44Å; W285-Y289 HydrophobicContact CB-CE2 4.37Å; W285-Y289 AromaticContact CE3-CD1 3.75Å; W285-Y289 HydrophobicContact CE3-CD1 3.75Å; W285-Y289 AromaticContact CE3-CD2 3.68Å; W285-Y289 HydrophobicContact CE3-CD2 3.68Å; W285-Y289 HydrophobicContact CE3-CE1 4.21Å; W285-Y289 HydrophobicContact CE3-CE2 4.16Å; W285-Y289 AromaticContact CE3-CG 3.45Å; W285-Y289 HydrophobicContact CE3-CG 3.45Å; W285-Y289 VanDerWaalsContact CE3-CG 3.45Å; W285-Y289 AromaticContact CZ3-CD1 3.76Å; W285-Y289 HydrophobicContact CZ3-CD1 3.76Å; W285-Y289 HydrophobicContact CZ3-CD2 4.43Å; W285-Y289 HydrophobicContact CZ3-CE1 4.44Å; W285-Y289 AromaticContact CZ3-CG 3.74Å; W285-Y289 HydrophobicContact CZ3-CG 3.74Å; W285-Y289 WeakPolarHBondContact O-CD2 3.18Å; W285-Y289 PolarHBondContact O-N 3.37Å; Y286-Y289 PolarHBondContact O-N 3.4Å; Y289-Y291 PolarHBondContact O-N 3.22Å
290	N	96.7	Very high	92.2	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.064	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-59.4	129.9	-177.9	-70.5	-61.9	0	0	0	112.4	R196 Y286 Y292 P294	R196-N290 PolarHBondContact NE-OD1 2.96Å; R196-N290 PolarHBondContact NH2-OD1 3.35Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.4Å; Y286-N290 VanDerWaalsContact CE2-OD1 3.23Å; Y286-N290 WeakPolarHBondContact CE2-OD1 3.19Å; Y286-N290 PolarHBondContact O-N 2.84Å; Y286-N290 PolarHBondContact O-ND2 3.15Å; N290-Y292 WeakPolarHBondContact CB-O 3.17Å; N290-P294 HydrophobicContact CB-CB 4.35Å; N290-P294 HydrophobicContact CB-CG 4.39Å
291	Y	98.1	Very high	92.5	Very high	85 Å²	85	58.7 Å²	58.7	33%	0.333	32%	0.315	S	S	.	.	S	Bend	trans	-72	-43.3	174.8	-171.8	-86.8	0	0	0	112	R197 K199 Y289	R197-Y291 HydrophobicContact CB-CG 4.37Å; R197-Y291 HydrophobicContact CG-CD1 4.33Å; R197-Y291 HydrophobicContact CG-CD2 3.99Å; R197-Y291 HydrophobicContact CG-CG 3.78Å; R197-Y291 VanDerWaalsContact O-CB 3.22Å; R197-Y291 WeakPolarHBondContact O-CB 3.35Å; R197-Y291 PolarHBondContact O-N 2.54Å; K199-Y291 HydrophobicContact CB-CD2 4.15Å; K199-Y291 HydrophobicContact CG-CD2 4.27Å; Y289-Y291 PolarHBondContact O-N 3.22Å
292	Y	96.8	Very high	92.9	Very high	28 Å²	28	56.9 Å²	56.9	11%	0.11	30%	0.303	C	S	.	.	S	Bend	trans	-95.1	156.2	173.8	-51.4	-68.7	0	0	0	110.7	R197 D256 R258 E264 N290 P294	R197-Y292 HydrophobicContact CB-CE2 4.31Å; D256-Y292 VanDerWaalsContact CG-OH 3.26Å; D256-Y292 PolarHBondContact OD1-OH 3.01Å; R258-Y292 VanDerWaalsContact CD-CD2 3.45Å; R258-Y292 HydrophobicContact CG-CD2 4.27Å; R258-Y292 HydrophobicContact CG-CE2 4.19Å; R258-Y292 VanDerWaalsContact CZ-CD1 3.44Å; E264-Y292 WeakPolarHBondContact OE1-CD2 3.48Å; N290-Y292 WeakPolarHBondContact CB-O 3.17Å; Y292-P294 WeakPolarHBondContact O-CD 3.43Å
293	P	94.2	Very high	93.1	Very high	114 Å²	114	53.7 Å²	53.7	74%	0.74	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-56.9	121.1	176.4	-24.9	35	0	0	0	111.3
294	P	91.8	Very high	93.5	Very high	52 Å²	52	48.9 Å²	48.9	34%	0.338	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-73	140.9	-177.8	28.7	-33.4	0	0	0	111.4	W287 N290 Y292	W287-P294 HydrophobicContact CE3-CB 3.98Å; W287-P294 HydrophobicContact CE3-CG 3.8Å; W287-P294 HydrophobicContact CZ3-CB 3.95Å; W287-P294 HydrophobicContact CZ3-CG 4.23Å; N290-P294 HydrophobicContact CB-CB 4.35Å; N290-P294 HydrophobicContact CB-CG 4.39Å; Y292-P294 WeakPolarHBondContact O-CD 3.43Å
295	V	92.4	Very high	93.8	Very high	84 Å²	84	48 Å²	48	51%	0.509	27%	0.265	S	S	.	.			trans	-116.6	131.8	174.3	179.6	0	0	0	0	108.6	C300	V295-C300 VanDerWaalsContact O-CA 3.3Å; V295-C300 WeakPolarHBondContact O-CA 3.21Å; V295-C300 WeakPolarHBondContact O-CB 2.87Å
296	E	89.1	Confident	94.2	Very high	28 Å²	28	44.3 Å²	44.3	13%	0.131	25%	0.251	C	S	.	.			trans	-103.1	158.6	174.4	-81.2	174.5	106.2	0	0	112.7	K277 G278 R282 W287	K277-E296 HydrophobicContact CG-CB 4.43Å; G278-E296 PolarHBondContact N-OE1 3.39Å; G278-E296 VanDerWaalsContact N-OE1 3.15Å; R282-E296 IonicContact CZ-OE2 2.95Å; R282-E296 IonicContact NH1-OE2 2.64Å; R282-E296 PolarHBondContact NH1-OE2 3.39Å; R282-E296 IonicContact NH2-OE2 2.64Å; R282-E296 PolarHBondContact NH2-OE2 3.41Å; W287-E296 HydrophobicContact CH2-CG 3.22Å; W287-E296 WeakPolarHBondContact CH2-OE1 3.49Å; W287-E296 HydrophobicContact CZ2-CG 4.18Å; W287-E296 WeakPolarHBondContact CZ2-OE1 3.42Å; W287-E296 HydrophobicContact CZ3-CG 3.76Å
297	G	93.1	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	87	-163.9	174.7	0	0	0	0	0	111.8	H274 L275 G299 C300	H274-G297 PolarHBondContact O-N 3.45Å; L275-G297 CarbonylContact O-C 3.47Å; L275-G297 VanDerWaalsContact O-CA 3.23Å; L275-G297 WeakPolarHBondContact O-CA 3.46Å; G297-G299 PolarHBondContact O-N 2.92Å; G297-C300 VanDerWaalsContact O-CB 3.27Å; G297-C300 WeakPolarHBondContact O-CB 3.23Å; G297-C300 PolarHBondContact O-N 3.03Å; G297-C300 PolarHBondContact O-SG 3.38Å
298	P	91.2	Very high	94.8	Very high	114 Å²	114	43.5 Å²	43.5	74%	0.74	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.4	-178.3	-27.4	35.6	0	0	0	115.7
299	G	91.3	Very high	94.9	Very high	35 Å²	35	38.1 Å²	38.1	36%	0.361	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-6.2	175.5	0	0	0	0	0	115.2	G297 C301	G297-G299 PolarHBondContact O-N 2.92Å; G299-C301 VanDerWaalsContact C-N 3.28Å; G299-C301 PolarHBondContact O-N 2.87Å
300	C	92.7	Very high	94.9	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.061	22%	0.218	C	C	.	.	S	Bend	trans	-60.6	-35.9	-172.6	62.5	0	0	0	0	114.4	H274 V295 G297	H274-C300 HydrophobicContact CB-CB 4.13Å; H274-C300 VanDerWaalsContact CB-SG 3.55Å; H274-C300 PolarHBondContact O-SG 2.82Å; V295-C300 VanDerWaalsContact O-CA 3.3Å; V295-C300 WeakPolarHBondContact O-CA 3.21Å; V295-C300 WeakPolarHBondContact O-CB 2.87Å; G297-C300 VanDerWaalsContact O-CB 3.27Å; G297-C300 WeakPolarHBondContact O-CB 3.23Å; G297-C300 PolarHBondContact O-N 3.03Å; G297-C300 PolarHBondContact O-SG 3.38Å
301	C	95.5	Very high	94.8	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.074	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-129.4	139.5	-150.3	-53.7	0	0	0	0	109.1	K263 H267 H274 G299	K263-C301 WeakPolarHBondContact CD-O 3.47Å; K263-C301 PolarHBondContact NZ-O 3.1Å; H267-C301 PolarHBondContact CE1-SG 3.29Å; H274-C301 VanDerWaalsContact CB-SG 3.55Å; G299-C301 VanDerWaalsContact C-N 3.28Å; G299-C301 PolarHBondContact O-N 2.87Å
302	S	95.4	Very high	94.6	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.049	20%	0.203	C	C	.	.			trans	-64.4	146	175.1	-171.7	0	0	0	0	110.2	D259 E264 L304 A305	D259-S302 WeakPolarHBondContact CB-OG 2.97Å; D259-S302 VanDerWaalsContact OD2-CB 3.28Å; D259-S302 WeakPolarHBondContact OD2-CB 3.34Å; D259-S302 PolarHBondContact OD2-OG 2.89Å; E264-S302 WeakPolarHBondContact O-CB 3.29Å; E264-S302 PolarHBondContact O-N 3.05Å; S302-L304 PolarHBondContact O-N 3.41Å; S302-L304 PolarHBondContact OG-N 2.93Å; S302-A305 PolarHBondContact O-N 2.81Å; S302-A305 VanDerWaalsContact O-N 3.12Å
303	D	93.8	Very high	94.5	Very high	99 Å²	99	32.5 Å²	32.5	53%	0.529	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.1	166.6	-65.5	1.7	0	0	0	110.8	Y335	D303-Y335 HydrophobicContact CB-CD1 4.36Å
304	L	94.7	Very high	94.4	Very high	28 Å²	28	30.4 Å²	30.4	15%	0.147	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	41.3	170.3	-59.1	-178.7	0	0	0	111.7	N178 W181 S302 V306 Y335 P337	N178-L304 HydrophobicContact CB-CB 4.43Å; N178-L304 WeakPolarHBondContact ND2-CA 3.49Å; W181-L304 HydrophobicContact CD2-CD1 3.72Å; W181-L304 HydrophobicContact CE3-CB 4.39Å; W181-L304 HydrophobicContact CE3-CD1 3.63Å; W181-L304 HydrophobicContact CG-CD1 4.42Å; W181-L304 HydrophobicContact CH2-CD1 3.87Å; W181-L304 HydrophobicContact CZ2-CD1 3.98Å; W181-L304 HydrophobicContact CZ3-CB 4.28Å; W181-L304 HydrophobicContact CZ3-CD1 3.71Å; S302-L304 PolarHBondContact O-N 3.41Å; S302-L304 PolarHBondContact OG-N 2.93Å; L304-V306 PolarHBondContact O-N 3.38Å; L304-Y335 HydrophobicContact CD1-CD1 4.1Å; L304-Y335 HydrophobicContact CD1-CE1 3.77Å; L304-Y335 HydrophobicContact CG-CD1 3.98Å; L304-Y335 HydrophobicContact CG-CE1 3.98Å; L304-P337 HydrophobicContact CD1-CG 3.45Å; L304-P337 VanDerWaalsContact CD1-CG 3.45Å
305	A	97.5	Very high	94.5	Very high	8 Å²	8	29.2 Å²	29.2	7%	0.066	18%	0.175	C	C	.	.			trans	-52.2	138.3	172.3	0	0	0	0	0	110.7	I175 N178 T265 S302 F308	I175-A305 VanDerWaalsContact CD1-O 3.24Å; I175-A305 WeakPolarHBondContact CD1-O 3.31Å; N178-A305 PolarHBondContact ND2-O 3.19Å; T265-A305 CarbonylContact O-C 3.54Å; S302-A305 PolarHBondContact O-N 2.81Å; S302-A305 VanDerWaalsContact O-N 3.12Å; A305-F308 HydrophobicContact CB-CE2 3.79Å; A305-F308 HydrophobicContact CB-CZ 3.79Å
306	V	98.7	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.			trans	-96.9	-41.8	-177.8	166.8	0	0	0	0	111.1	V174 I175 N178 L179 L182 T265 F266 L304	V174-V306 CarbonylContact C-O 3.45Å; V174-V306 VanDerWaalsContact CA-O 3.29Å; V174-V306 WeakPolarHBondContact CA-O 3.38Å; V174-V306 HydrophobicContact CG1-CG1 4.1Å; V174-V306 WeakPolarHBondContact CG1-O 3.29Å; I175-V306 PolarHBondContact N-O 2.83Å; N178-V306 HydrophobicContact CB-CG2 4.22Å; L179-V306 HydrophobicContact CB-CG1 3.99Å; L179-V306 HydrophobicContact CB-CG2 4.38Å; L179-V306 HydrophobicContact CD1-CG1 4.04Å; L179-V306 HydrophobicContact CG-CG1 4.4Å; L182-V306 HydrophobicContact CD1-CG2 4.26Å; T265-V306 WeakPolarHBondContact O-CA 3.32Å; T265-V306 PolarHBondContact O-N 2.9Å; F266-V306 HydrophobicContact CD1-CG1 4.11Å; F266-V306 HydrophobicContact CD2-CB 4.24Å; F266-V306 HydrophobicContact CD2-CG1 4.41Å; F266-V306 HydrophobicContact CE1-CB 4.4Å; F266-V306 HydrophobicContact CE1-CG1 3.59Å; F266-V306 HydrophobicContact CE2-CB 4.05Å; F266-V306 HydrophobicContact CE2-CG1 3.93Å; F266-V306 HydrophobicContact CE2-CG2 4.21Å; F266-V306 HydrophobicContact CG-CG1 4.49Å; F266-V306 HydrophobicContact CZ-CB 4.15Å; F266-V306 HydrophobicContact CZ-CG1 3.5Å; F266-V306 VanDerWaalsContact CZ-CG1 3.5Å; L304-V306 PolarHBondContact O-N 3.38Å
307	S	98.8	Very high	95	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.7	-173.6	63.6	0	0	0	0	114.6	Y173 A211 T265 F266 H267	Y173-S307 WeakPolarHBondContact O-CA 3.25Å; Y173-S307 WeakPolarHBondContact O-CB 3.26Å; A211-S307 VanDerWaalsContact O-CB 3.27Å; A211-S307 WeakPolarHBondContact O-CB 3.47Å; A211-S307 PolarHBondContact O-OG 3.42Å; T265-S307 PolarHBondContact O-N 3.43Å; F266-S307 WeakPolarHBondContact CD1-OG 3.47Å; H267-S307 WeakPolarHBondContact CA-O 3.49Å; H267-S307 WeakPolarHBondContact CB-O 3.43Å; H267-S307 PolarHBondContact CD2-O 2.81Å; H267-S307 VanDerWaalsContact CD2-O 3.28Å; H267-S307 PolarHBondContact N-O 2.9Å
308	F	98.4	Very high	95.1	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.088	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.4	171.2	-63.3	-87.9	0	0	0	109.6	T172 Y173 H267 P271 A305 V311	T172-F308 CarbonylContact C-O 3.57Å; T172-F308 WeakPolarHBondContact CA-O 3.18Å; T172-F308 WeakPolarHBondContact CG2-O 3.42Å; Y173-F308 PolarHBondContact N-O 3.21Å; Y173-F308 PolarHBondContact O-N 3.01Å; H267-F308 HydrophobicContact CB-CD1 3.5Å; H267-F308 HydrophobicContact CB-CE1 3.77Å; H267-F308 HydrophobicContact CB-CG 4.25Å; H267-F308 AromaticContact CD2-CD1 3.97Å; H267-F308 AromaticContact CD2-CE1 3.45Å; H267-F308 VanDerWaalsContact CD2-CE1 3.45Å; H267-F308 WeakPolarHBondContact CD2-CE1 3.24Å; H267-F308 AromaticContact CD2-CZ 3.62Å; H267-F308 AromaticContact CG-CD1 3.83Å; H267-F308 AromaticContact CG-CE1 3.53Å; P271-F308 HydrophobicContact CB-CD1 4.27Å; P271-F308 HydrophobicContact CB-CE1 4.18Å; P271-F308 HydrophobicContact CG-CB 4.47Å; P271-F308 HydrophobicContact CG-CD1 3.78Å; P271-F308 HydrophobicContact CG-CD2 4.35Å; P271-F308 HydrophobicContact CG-CE1 4.07Å; P271-F308 HydrophobicContact CG-CG 3.94Å; P271-F308 HydrophobicContact CG-CZ 4.47Å; A305-F308 HydrophobicContact CB-CE2 3.79Å; A305-F308 HydrophobicContact CB-CZ 3.79Å; F308-V311 HydrophobicContact CB-CG2 3.97Å; F308-V311 WeakPolarHBondContact O-CG2 3.21Å
309	H	97.8	Very high	95.4	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.06	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	167.7	-177.6	-179.6	-126.7	0	0	0	111.5	D169 D171 G210 H267 P268 F269 V270 V311	D169-H309 IonicContact OD2-NE2 3.33Å; D171-H309 CarbonylContact O-C 3.55Å; D171-H309 IonicContact OD1-CD2 3.3Å; D171-H309 PolarHBondContact OD1-CD2 2.77Å; D171-H309 IonicContact OD1-NE2 3.93Å; D171-H309 PolarHBondContact OD1-NE2 3.31Å; G210-H309 VanDerWaalsContact C-CD2 3.49Å; G210-H309 VanDerWaalsContact CA-CD2 3.48Å; G210-H309 WeakPolarHBondContact CA-CD2 3.49Å; G210-H309 WeakPolarHBondContact CA-NE2 3.42Å; G210-H309 VanDerWaalsContact O-CB 3.25Å; G210-H309 WeakPolarHBondContact O-CB 3.35Å; G210-H309 PolarHBondContact O-CD2 3.06Å; H267-H309 PolarHBondContact O-N 2.84Å; P268-H309 PolarHBondContact O-ND1 3.38Å; F269-H309 CarbonylContact C-O 3.55Å; F269-H309 WeakPolarHBondContact CA-O 2.99Å; V270-H309 WeakPolarHBondContact CA-O 3.03Å; V270-H309 WeakPolarHBondContact CG1-O 3.48Å; V270-H309 PolarHBondContact N-O 3.3Å; H309-V311 PolarHBondContact O-N 3.49Å
310	Y	95.3	Very high	95.6	Very high	44 Å²	44	23.8 Å²	23.8	17%	0.173	13%	0.125	C	C	.	.	S	Bend	trans	60.3	27.5	-170.5	-60.9	-62.6	0	0	0	113.4	P46 H47 H50 D171 F269 V270 D312	P46-Y310 VanDerWaalsContact O-CD2 3.22Å; P46-Y310 WeakPolarHBondContact O-CD2 3.27Å; P46-Y310 VanDerWaalsContact O-CE2 3.28Å; P46-Y310 WeakPolarHBondContact O-CE2 3.43Å; H47-Y310 AromaticContact ND1-CE2 3.96Å; H47-Y310 AromaticContact ND1-CZ 3.63Å; H47-Y310 PolarHBondContact ND1-OH 3.34Å; H47-Y310 WeakPolarHBondContact O-CE1 3.45Å; H50-Y310 PolarHBondContact CD2-O 3.18Å; H50-Y310 VanDerWaalsContact CD2-O 3.28Å; D171-Y310 PolarHBondContact O-N 3.01Å; F269-Y310 AromaticContact CD1-CD2 3.71Å; F269-Y310 HydrophobicContact CD1-CD2 3.71Å; F269-Y310 AromaticContact CD1-CE2 3.66Å; F269-Y310 HydrophobicContact CD1-CE2 3.66Å; F269-Y310 HydrophobicContact CE1-CD2 4.43Å; F269-Y310 AromaticContact CE1-CE2 3.92Å; F269-Y310 HydrophobicContact CE1-CE2 3.92Å; V270-Y310 WeakPolarHBondContact CG1-O 3.45Å; Y310-D312 PolarHBondContact O-N 3.23Å
311	V	95.4	Very high	95.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.143	C	C	.	.			trans	-82.8	107.3	178	178.5	0	0	0	0	108.6	D171 F308 H309 T315 M316 L319	D171-V311 WeakPolarHBondContact CA-O 3.47Å; D171-V311 PolarHBondContact O-N 3.19Å; F308-V311 HydrophobicContact CB-CG2 3.97Å; F308-V311 WeakPolarHBondContact O-CG2 3.21Å; H309-V311 PolarHBondContact O-N 3.49Å; V311-T315 HydrophobicContact CG1-CG2 4.02Å; V311-M316 HydrophobicContact CG1-CB 3.85Å; V311-M316 HydrophobicContact CG1-CE 4.43Å; V311-M316 HydrophobicContact CG1-CG 4.29Å; V311-L319 HydrophobicContact CG1-CD1 3.89Å; V311-L319 HydrophobicContact CG2-CD1 3.9Å
312	D	93.4	Very high	95.7	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.064	16%	0.158	C	C	.	.			trans	-70.4	168.9	174.1	76.2	13	0	0	0	112.1	H50 S51 D52 Y310 T314 T315 M316	H50-D312 HydrophobicContact CB-CB 3.88Å; H50-D312 WeakPolarHBondContact CB-OD2 3.22Å; S51-D312 PolarHBondContact N-OD2 2.64Å; D52-D312 WeakPolarHBondContact OD2-CB 3.23Å; Y310-D312 PolarHBondContact O-N 3.23Å; D312-T314 PolarHBondContact O-N 3.34Å; D312-T314 PolarHBondContact OD1-N 2.92Å; D312-T315 PolarHBondContact O-N 3.46Å; D312-T315 VanDerWaalsContact OD1-CB 3.22Å; D312-T315 WeakPolarHBondContact OD1-CB 3.46Å; D312-T315 PolarHBondContact OD1-N 3.41Å; D312-T315 PolarHBondContact OD1-OG1 3.21Å; D312-M316 WeakPolarHBondContact O-CB 3.41Å; D312-M316 PolarHBondContact O-N 3.09Å
313	S	93.8	Very high	95.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-35	-175.5	57.7	0	0	0	0	113.8	D52 H106 Y317	D52-S313 PolarHBondContact OD1-OG 2.9Å; D52-S313 PolarHBondContact OD2-N 2.8Å; D52-S313 PolarHBondContact OD2-OG 3.18Å; D52-S313 VanDerWaalsContact OD2-OG 3.06Å; H106-S313 WeakPolarHBondContact CD2-CB 3.49Å; S313-Y317 VanDerWaalsContact O-CD2 3.23Å; S313-Y317 WeakPolarHBondContact O-CD2 3.35Å
314	T	93.4	Very high	95.5	Very high	69 Å²	69	30.6 Å²	30.6	42%	0.423	15%	0.152	S	C	.	.	H	α-helix	trans	-71.8	-50.1	178.1	-61.3	0	0	0	0	111.1	D312 M316 Y317 E318	D312-T314 PolarHBondContact O-N 3.34Å; D312-T314 PolarHBondContact OD1-N 2.92Å; T314-M316 PolarHBondContact O-N 3.45Å; T314-Y317 PolarHBondContact O-N 3.03Å; T314-Y317 VanDerWaalsContact O-N 3.16Å; T314-E318 PolarHBondContact O-N 3.16Å
315	T	93.9	Very high	95.4	Very high	28 Å²	28	30.5 Å²	30.5	17%	0.172	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-32.5	178.2	-50.6	0	0	0	0	110.8	V311 D312 Y317 E318 L319	V311-T315 HydrophobicContact CG1-CG2 4.02Å; D312-T315 PolarHBondContact O-N 3.46Å; D312-T315 VanDerWaalsContact OD1-CB 3.22Å; D312-T315 WeakPolarHBondContact OD1-CB 3.46Å; D312-T315 PolarHBondContact OD1-N 3.41Å; D312-T315 PolarHBondContact OD1-OG1 3.21Å; T315-Y317 VanDerWaalsContact C-N 3.35Å; T315-Y317 PolarHBondContact O-N 3.29Å; T315-E318 PolarHBondContact O-N 2.77Å; T315-L319 HydrophobicContact CG2-CD1 4.4Å; T315-L319 HydrophobicContact CG2-CG 4.43Å; T315-L319 WeakPolarHBondContact O-CB 3.36Å; T315-L319 WeakPolarHBondContact O-CG 3.41Å; T315-L319 PolarHBondContact O-N 3.12Å
316	M	95.6	Very high	95.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-43.3	176.8	-158.6	172.6	-70.2	0	0	112.2	H106 V107 T110 Y173 V311 D312 T314 E320	H106-M316 HydrophobicContact CB-SD 3.98Å; V107-M316 HydrophobicContact CB-SD 4.41Å; V107-M316 HydrophobicContact CG2-CE 3.72Å; V107-M316 HydrophobicContact CG2-SD 3.78Å; V107-M316 PolarHBondContact N-SD 2.92Å; T110-M316 HydrophobicContact CG2-CG 4.38Å; Y173-M316 HydrophobicContact CD2-CG 3.71Å; Y173-M316 HydrophobicContact CE2-CG 4.39Å; V311-M316 HydrophobicContact CG1-CB 3.85Å; V311-M316 HydrophobicContact CG1-CE 4.43Å; V311-M316 HydrophobicContact CG1-CG 4.29Å; D312-M316 WeakPolarHBondContact O-CB 3.41Å; D312-M316 PolarHBondContact O-N 3.09Å; T314-M316 PolarHBondContact O-N 3.45Å; M316-E320 PolarHBondContact O-N 2.99Å
317	Y	95.6	Very high	94.5	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-75.6	-32.1	176.2	-71.6	-52.2	0	0	0	113	L59 Q62 M63 F65 H106 A109 T110 S313 T314 T315 E320 Y321	L59-Y317 HydrophobicContact CD1-CD2 3.49Å; L59-Y317 VanDerWaalsContact CD1-CD2 3.49Å; L59-Y317 HydrophobicContact CD1-CE2 3.59Å; Q62-Y317 VanDerWaalsContact CA-OH 3.25Å; Q62-Y317 WeakPolarHBondContact CA-OH 3.45Å; M63-Y317 HydrophobicContact CB-CD1 3.79Å; M63-Y317 HydrophobicContact CB-CD2 4.23Å; M63-Y317 HydrophobicContact CB-CE1 3.66Å; M63-Y317 HydrophobicContact CB-CE2 4.14Å; M63-Y317 HydrophobicContact CB-CG 4.05Å; M63-Y317 HydrophobicContact CG-CD1 4.1Å; M63-Y317 HydrophobicContact CG-CD2 3.62Å; M63-Y317 HydrophobicContact CG-CE1 4.13Å; M63-Y317 HydrophobicContact CG-CE2 3.69Å; M63-Y317 HydrophobicContact CG-CG 3.82Å; M63-Y317 VanDerWaalsContact N-CZ 3.33Å; M63-Y317 PolarHBondContact N-OH 3.12Å; M63-Y317 VanDerWaalsContact N-OH 3.12Å; F65-Y317 HydrophobicContact CD2-CD1 4.02Å; F65-Y317 AromaticContact CE2-CD1 3.45Å; F65-Y317 HydrophobicContact CE2-CD1 3.45Å; F65-Y317 VanDerWaalsContact CE2-CD1 3.45Å; F65-Y317 HydrophobicContact CE2-CE1 4.3Å; F65-Y317 AromaticContact CE2-CG 3.97Å; F65-Y317 HydrophobicContact CE2-CG 3.97Å; F65-Y317 WeakPolarHBondContact CZ-O 3.18Å; H106-Y317 HydrophobicContact CB-CE2 4.4Å; H106-Y317 AromaticContact CE1-CE2 3.94Å; H106-Y317 AromaticContact ND1-CE2 3.25Å; H106-Y317 VanDerWaalsContact ND1-CE2 3.25Å; H106-Y317 WeakPolarHBondContact ND1-CE2 3.46Å; H106-Y317 AromaticContact ND1-CZ 3.44Å; H106-Y317 PolarHBondContact ND1-OH 3.43Å; A109-Y317 HydrophobicContact CB-CE1 4.3Å; A109-Y317 WeakPolarHBondContact CB-OH 3.35Å; T110-Y317 HydrophobicContact CG2-CD1 3.32Å; T110-Y317 HydrophobicContact CG2-CE1 3.28Å; T110-Y317 HydrophobicContact CG2-CG 4.42Å; S313-Y317 VanDerWaalsContact O-CD2 3.23Å; S313-Y317 WeakPolarHBondContact O-CD2 3.35Å; T314-Y317 PolarHBondContact O-N 3.03Å; T314-Y317 VanDerWaalsContact O-N 3.16Å; T315-Y317 VanDerWaalsContact C-N 3.35Å; T315-Y317 PolarHBondContact O-N 3.29Å; Y317-E320 PolarHBondContact O-N 2.74Å; Y317-Y321 PolarHBondContact O-N 3.27Å
318	E	95.7	Very high	94.1	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-47.7	170.2	-175.4	177.9	179.5	0	0	110.7	T314 T315 E320 Y321 L322	T314-E318 PolarHBondContact O-N 3.16Å; T315-E318 PolarHBondContact O-N 2.77Å; E318-E320 PolarHBondContact O-N 3.02Å; E318-Y321 PolarHBondContact O-N 3.26Å; E318-L322 HydrophobicContact CG-CD1 3.87Å; E318-L322 HydrophobicContact CG-CG 4.27Å; E318-L322 WeakPolarHBondContact O-CB 3.49Å; E318-L322 VanDerWaalsContact O-CG 3.25Å; E318-L322 WeakPolarHBondContact O-CG 3.36Å; E318-L322 PolarHBondContact O-N 3.12Å
319	L	97	Very high	93.6	Very high	18 Å²	18	54 Å²	54	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-42.2	175.6	-72.2	176.7	0	0	0	112.1	Y173 P271 V311 T315 Y321 L322 V323	Y173-L319 HydrophobicContact CD1-CB 4.04Å; Y173-L319 HydrophobicContact CD1-CD1 4.11Å; Y173-L319 HydrophobicContact CD2-CB 4.21Å; Y173-L319 HydrophobicContact CE1-CB 4.11Å; Y173-L319 HydrophobicContact CE2-CB 4.29Å; Y173-L319 HydrophobicContact CG-CB 4.11Å; Y173-L319 HydrophobicContact CG-CD1 3.94Å; P271-L319 HydrophobicContact CG-CD2 4.05Å; V311-L319 HydrophobicContact CG1-CD1 3.89Å; V311-L319 HydrophobicContact CG2-CD1 3.9Å; T315-L319 HydrophobicContact CG2-CD1 4.4Å; T315-L319 HydrophobicContact CG2-CG 4.43Å; T315-L319 WeakPolarHBondContact O-CB 3.36Å; T315-L319 WeakPolarHBondContact O-CG 3.41Å; T315-L319 PolarHBondContact O-N 3.12Å; L319-Y321 VanDerWaalsContact C-N 3.33Å; L319-Y321 PolarHBondContact O-N 3.37Å; L319-L322 PolarHBondContact O-N 3.03Å; L319-V323 VanDerWaalsContact O-CB 3.31Å; L319-V323 WeakPolarHBondContact O-CB 3.41Å; L319-V323 WeakPolarHBondContact O-CG2 3.44Å; L319-V323 PolarHBondContact O-N 3.43Å
320	E	96	Very high	93.1	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-49.5	174.3	-169.9	68.7	-154.9	0	0	111	F65 T110 R114 Y173 M316 Y317 E318 V323 Y324 H325	F65-E320 HydrophobicContact CD2-CB 4.41Å; F65-E320 HydrophobicContact CD2-CG 3.97Å; F65-E320 HydrophobicContact CE2-CB 4.29Å; F65-E320 HydrophobicContact CE2-CG 4.36Å; F65-E320 HydrophobicContact CG-CG 4.18Å; T110-E320 WeakPolarHBondContact CB-OE2 3.36Å; T110-E320 HydrophobicContact CG2-CB 4.25Å; T110-E320 HydrophobicContact CG2-CG 4.33Å; R114-E320 IonicContact CZ-OE1 3.98Å; R114-E320 IonicContact NE-OE1 2.91Å; R114-E320 IonicContact NH2-OE1 3.85Å; R114-E320 PolarHBondContact NH2-OE1 3.18Å; Y173-E320 HydrophobicContact CE2-CB 4.32Å; Y173-E320 WeakPolarHBondContact CE2-OE2 3.42Å; Y173-E320 WeakPolarHBondContact OH-CA 3.27Å; Y173-E320 PolarHBondContact OH-OE2 2.93Å; M316-E320 PolarHBondContact O-N 2.99Å; Y317-E320 PolarHBondContact O-N 2.74Å; E318-E320 PolarHBondContact O-N 3.02Å; E320-V323 PolarHBondContact O-N 2.8Å; E320-Y324 PolarHBondContact O-N 3.06Å; E320-H325 PolarHBondContact O-CD2 2.83Å
321	Y	94.7	Very high	92.5	Very high	110 Å²	110	59.3 Å²	59.3	43%	0.431	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-50.1	176.9	179.8	-108.2	0	0	0	112.1	F65 Y317 E318 L319 V323 H325 L326	F65-Y321 HydrophobicContact CE1-CD2 4.07Å; F65-Y321 HydrophobicContact CE1-CG 4.36Å; Y317-Y321 PolarHBondContact O-N 3.27Å; E318-Y321 PolarHBondContact O-N 3.26Å; L319-Y321 VanDerWaalsContact C-N 3.33Å; L319-Y321 PolarHBondContact O-N 3.37Å; Y321-V323 VanDerWaalsContact C-N 3.31Å; Y321-V323 PolarHBondContact O-N 2.97Å; Y321-H325 HydrophobicContact CD2-CB 3.53Å; Y321-H325 HydrophobicContact CE2-CB 3.87Å; Y321-H325 HydrophobicContact CG-CB 4.38Å; Y321-H325 CarbonylContact O-C 3.55Å; Y321-H325 WeakPolarHBondContact O-CA 3.42Å; Y321-H325 WeakPolarHBondContact O-CB 3.45Å; Y321-H325 PolarHBondContact O-N 3.1Å; Y321-L326 HydrophobicContact CD1-CB 4.2Å; Y321-L326 HydrophobicContact CE1-CB 3.81Å; Y321-L326 HydrophobicContact CE1-CD1 4.1Å; Y321-L326 HydrophobicContact CE1-CD2 4.41Å; Y321-L326 HydrophobicContact CE1-CG 4.32Å; Y321-L326 PolarHBondContact O-N 3.2Å
322	L	94.7	Very high	91.6	Very high	77 Å²	77	66.2 Å²	66.2	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-30.4	-175.5	-68.2	178.1	0	0	0	113.1	E318 L319 L326	E318-L322 HydrophobicContact CG-CD1 3.87Å; E318-L322 HydrophobicContact CG-CG 4.27Å; E318-L322 WeakPolarHBondContact O-CB 3.49Å; E318-L322 VanDerWaalsContact O-CG 3.25Å; E318-L322 WeakPolarHBondContact O-CG 3.36Å; E318-L322 PolarHBondContact O-N 3.12Å; L319-L322 PolarHBondContact O-N 3.03Å; L322-L326 HydrophobicContact CD2-CB 4.5Å; L322-L326 HydrophobicContact CD2-CD2 3.45Å; L322-L326 VanDerWaalsContact CD2-CD2 3.45Å
323	V	94	Very high	90.6	Very high	56 Å²	56	74.5 Å²	74.5	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-86.9	-43.4	-178.2	176.5	0	0	0	0	111.7	Y173 I175 L319 E320 Y321	Y173-V323 HydrophobicContact CE1-CG2 4.43Å; I175-V323 HydrophobicContact CD1-CG1 4.34Å; I175-V323 HydrophobicContact CD1-CG2 4.02Å; I175-V323 HydrophobicContact CG1-CG1 4.18Å; I175-V323 HydrophobicContact CG1-CG2 4.33Å; I175-V323 HydrophobicContact CG2-CG1 4.06Å; L319-V323 VanDerWaalsContact O-CB 3.31Å; L319-V323 WeakPolarHBondContact O-CB 3.41Å; L319-V323 WeakPolarHBondContact O-CG2 3.44Å; L319-V323 PolarHBondContact O-N 3.43Å; E320-V323 PolarHBondContact O-N 2.8Å; Y321-V323 VanDerWaalsContact C-N 3.31Å; Y321-V323 PolarHBondContact O-N 2.97Å
324	Y	92.1	Very high	89.5	Confident	26 Å²	26	84.3 Å²	84.3	10%	0.102	40%	0.401	C	S	.	.	H	α-helix	trans	-114.8	-9.8	-166.7	-70.1	-69.8	0	0	0	115.3	H72 R114 D177 E320	H72-Y324 PolarHBondContact CE1-O 3.48Å; R114-Y324 VanDerWaalsContact CD-CZ 3.48Å; R114-Y324 WeakPolarHBondContact CD-OH 3.48Å; R114-Y324 PolarHBondContact NE-OH 3.41Å; D177-Y324 VanDerWaalsContact OD2-CE1 3.23Å; D177-Y324 WeakPolarHBondContact OD2-CE1 3.44Å; D177-Y324 PolarHBondContact OD2-OH 2.91Å; E320-Y324 PolarHBondContact O-N 3.06Å
325	H	90.9	Very high	88.6	Confident	25 Å²	25	83.3 Å²	83.3	12%	0.116	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-48.5	-176.6	-61	-87.3	0	0	0	112.7	F65 H72 E320 Y321 R327	F65-H325 WeakPolarHBondContact CB-NE2 3.29Å; F65-H325 AromaticContact CD1-CD2 3.6Å; F65-H325 AromaticContact CD1-CE1 3.93Å; F65-H325 AromaticContact CD1-NE2 3.54Å; F65-H325 AromaticContact CG-NE2 3.7Å; H72-H325 AromaticContact CE1-CE1 3.69Å; H72-H325 AromaticContact CE1-ND1 3.26Å; H72-H325 PolarHBondContact CE1-ND1 2.66Å; H72-H325 VanDerWaalsContact CE1-ND1 3.26Å; H72-H325 AromaticContact NE2-CE1 3.41Å; H72-H325 PolarHBondContact NE2-CE1 2.73Å; H72-H325 AromaticContact NE2-ND1 2.93Å; H72-H325 PolarHBondContact NE2-ND1 3.14Å; E320-H325 PolarHBondContact O-CD2 2.83Å; Y321-H325 HydrophobicContact CD2-CB 3.53Å; Y321-H325 HydrophobicContact CE2-CB 3.87Å; Y321-H325 HydrophobicContact CG-CB 4.38Å; Y321-H325 CarbonylContact O-C 3.55Å; Y321-H325 WeakPolarHBondContact O-CA 3.42Å; Y321-H325 WeakPolarHBondContact O-CB 3.45Å; Y321-H325 PolarHBondContact O-N 3.1Å; H325-R327 PolarHBondContact O-N 3.44Å
326	L	91.4	Very high	87.7	Confident	81 Å²	81	89.4 Å²	89.4	42%	0.424	42%	0.417	S	S	.	.			trans	-67.7	115.6	-179.6	-177.4	65.5	0	0	0	110.1	Y321 L322	Y321-L326 HydrophobicContact CD1-CB 4.2Å; Y321-L326 HydrophobicContact CE1-CB 3.81Å; Y321-L326 HydrophobicContact CE1-CD1 4.1Å; Y321-L326 HydrophobicContact CE1-CD2 4.41Å; Y321-L326 HydrophobicContact CE1-CG 4.32Å; Y321-L326 PolarHBondContact O-N 3.2Å; L322-L326 HydrophobicContact CD2-CB 4.5Å; L322-L326 HydrophobicContact CD2-CD2 3.45Å; L322-L326 VanDerWaalsContact CD2-CD2 3.45Å
327	R	87.3	Confident	86.9	Confident	117 Å²	117	90.6 Å²	90.6	44%	0.442	42%	0.424	S	S	.	.			trans	-127.9	117.7	177.9	-67.6	176.9	-66.9	170	4.7	109.8	Q71 D74 H325 Y329	Q71-R327 PolarHBondContact O-NH2 3.48Å; D74-R327 IonicContact OD1-NH1 3.39Å; D74-R327 IonicContact OD1-NH2 2.99Å; H325-R327 PolarHBondContact O-N 3.44Å; R327-Y329 PolarHBondContact O-N 3.08Å
328	P	89.8	Confident	86	Confident	87 Å²	87	95.5 Å²	95.5	57%	0.565	46%	0.456	S	S	*	.			trans	-65.9	122.8	169.4	-15.8	29.1	0	0	0	109.5	G330 Y331	P328-G330 PolarHBondContact O-N 3.24Å; P328-Y331 VanDerWaalsContact O-CB 3.29Å; P328-Y331 WeakPolarHBondContact O-CB 3.46Å; P328-Y331 PolarHBondContact O-N 2.89Å; P328-Y331 VanDerWaalsContact O-N 3.08Å
329	Y	88.8	Confident	85.1	Confident	239 Å²	239	91.3 Å²	91.3	94%	0.937	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	127.5	-178.3	-177.6	-94.2	0	0	0	111.8	R327 Y331	R327-Y329 PolarHBondContact O-N 3.08Å; Y329-Y331 VanDerWaalsContact C-N 3.29Å; Y329-Y331 PolarHBondContact O-N 3.39Å
330	G	85.5	Confident	84	Confident	70 Å²	70	92 Å²	92	72%	0.722	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	0.5	-179.8	0	0	0	0	0	115.4	P328 L332	P328-G330 PolarHBondContact O-N 3.24Å; G330-L332 PolarHBondContact O-N 2.89Å
331	Y	82.8	Confident	83	Confident	98 Å²	98	98 Å²	98	38%	0.384	47%	0.471	S	S	.	.			trans	-73.6	125.8	173.4	179.4	-101.4	0	0	0	111	P328 Y329 Y333 R334	P328-Y331 VanDerWaalsContact O-CB 3.29Å; P328-Y331 WeakPolarHBondContact O-CB 3.46Å; P328-Y331 PolarHBondContact O-N 2.89Å; P328-Y331 VanDerWaalsContact O-N 3.08Å; Y329-Y331 VanDerWaalsContact C-N 3.29Å; Y329-Y331 PolarHBondContact O-N 3.39Å; Y331-Y333 HydrophobicContact CE1-CD1 4.44Å; Y331-R334 HydrophobicContact CE2-CG 3.72Å; Y331-R334 WeakPolarHBondContact OH-CG 3.44Å; Y331-R334 PolarHBondContact OH-N 3.46Å
332	L	77.7	Confident	82.1	Confident	146 Å²	146	101.8 Å²	101.8	76%	0.764	48%	0.484	S	S	*	.			trans	-106.1	140.4	166.5	-61.3	173.5	0	0	0	107.8	G330 R334	G330-L332 PolarHBondContact O-N 2.89Å; L332-R334 PolarHBondContact O-N 3.06Å; L332-R334 VanDerWaalsContact O-N 3.12Å
333	Y	71.8	Confident	81.1	Confident	185 Å²	185	98.6 Å²	98.6	73%	0.725	47%	0.467	S	S	*	.			trans	-48.5	120	-178.4	-62.3	-72	0	0	0	111.7	Y331 Y335	Y331-Y333 HydrophobicContact CE1-CD1 4.44Å; Y333-Y335 VanDerWaalsContact C-N 3.34Å
334	R	70.2	Confident	80.2	Confident	209 Å²	209	99.6 Å²	99.6	79%	0.789	47%	0.47	S	S	*	.	S	Bend	trans	-67.9	-33.4	-179.6	-72.8	174.2	-177.1	166.1	7.2	113	Y331 L332	Y331-R334 HydrophobicContact CE2-CG 3.72Å; Y331-R334 WeakPolarHBondContact OH-CG 3.44Å; Y331-R334 PolarHBondContact OH-N 3.46Å; L332-R334 PolarHBondContact O-N 3.06Å; L332-R334 VanDerWaalsContact O-N 3.12Å
335	Y	74.1	Confident	79.4	Confident	49 Å²	49	103.8 Å²	103.8	19%	0.192	49%	0.489	C	S	.	.			trans	-112	107.6	-177.8	177.8	-119.8	0	0	0	109.7	D259 T260 D303 L304 Y333 P337	D259-Y335 HydrophobicContact CB-CE1 4.44Å; T260-Y335 PolarHBondContact N-OH 3.24Å; T260-Y335 PolarHBondContact OG1-OH 3.39Å; D303-Y335 HydrophobicContact CB-CD1 4.36Å; L304-Y335 HydrophobicContact CD1-CD1 4.1Å; L304-Y335 HydrophobicContact CD1-CE1 3.77Å; L304-Y335 HydrophobicContact CG-CD1 3.98Å; L304-Y335 HydrophobicContact CG-CE1 3.98Å; Y333-Y335 VanDerWaalsContact C-N 3.34Å; Y335-P337 HydrophobicContact CD1-CG 4.33Å; Y335-P337 HydrophobicContact CE1-CB 4.18Å; Y335-P337 HydrophobicContact CE1-CG 3.83Å; Y335-P337 HydrophobicContact CE2-CB 4.34Å; Y335-P337 WeakPolarHBondContact O-CD 3.38Å
336	Q	76.2	Confident	78.3	Confident	156 Å²	156	105.6 Å²	105.6	73%	0.729	50%	0.498	S	S	*	.			trans	-114	85.8	176.4	-68.6	-173.9	-14.9	0	0	109
337	P	78.5	Confident	77.3	Confident	25 Å²	25	103 Å²	103	16%	0.162	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-69.3	150.3	175.2	27.5	-32.1	0	0	0	111	W181 T260 L304 Y335 L339	W181-P337 HydrophobicContact CD2-CG 4.39Å; W181-P337 VanDerWaalsContact CE2-CG 3.42Å; W181-P337 HydrophobicContact CH2-CB 4.34Å; W181-P337 HydrophobicContact CH2-CG 4.18Å; W181-P337 HydrophobicContact CZ2-CB 3.37Å; W181-P337 HydrophobicContact CZ2-CG 3.3Å; T260-P337 HydrophobicContact CG2-CB 4.28Å; L304-P337 HydrophobicContact CD1-CG 3.45Å; L304-P337 VanDerWaalsContact CD1-CG 3.45Å; Y335-P337 HydrophobicContact CD1-CG 4.33Å; Y335-P337 HydrophobicContact CE1-CB 4.18Å; Y335-P337 HydrophobicContact CE1-CG 3.83Å; Y335-P337 HydrophobicContact CE2-CB 4.34Å; Y335-P337 WeakPolarHBondContact O-CD 3.38Å; P337-L339 PolarHBondContact O-N 2.93Å
338	T	77.3	Confident	76.7	Confident	115 Å²	115	100 Å²	100	71%	0.706	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-62.8	127.4	178.4	-34.5	0	0	0	0	110.3	L344	T338-L344 HydrophobicContact CG2-CD1 4.42Å
339	L	76.2	Confident	75.8	Confident	23 Å²	23	101.3 Å²	101.3	12%	0.12	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-72.6	150.3	164.9	-74.2	167.4	0	0	0	109.4	I79 P337 E341 I343 L344 I347	I79-L339 HydrophobicContact CG2-CD1 4.12Å; P337-L339 PolarHBondContact O-N 2.93Å; L339-E341 PolarHBondContact O-N 3.06Å; L339-I343 HydrophobicContact CB-CG2 4.5Å; L339-I343 HydrophobicContact CD1-CG2 4.25Å; L339-L344 HydrophobicContact CB-CD1 4.43Å; L339-L344 HydrophobicContact CB-CD2 3.9Å; L339-L344 HydrophobicContact CB-CG 3.86Å; L339-L344 HydrophobicContact CD1-CD2 4.08Å; L339-L344 WeakPolarHBondContact O-CD1 3.25Å; L339-I347 HydrophobicContact CD1-CD1 4.22Å
340	P	74.1	Confident	74.7	Confident	33 Å²	33	91.9 Å²	91.9	21%	0.214	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-49.6	136.4	170.6	-26.9	34.2	0	0	0	111.6	S184 K185 R342 I343 L344	S184-P340 WeakPolarHBondContact O-CG 3.48Å; K185-P340 HydrophobicContact CG-CG 3.97Å; P340-R342 PolarHBondContact O-N 2.69Å; P340-I343 HydrophobicContact CB-CD1 4.37Å; P340-I343 HydrophobicContact CG-CD1 4.12Å; P340-I343 PolarHBondContact O-N 2.65Å; P340-L344 PolarHBondContact O-N 3.42Å
341	E	75.7	Confident	73.9	Confident	132 Å²	132	92 Å²	92	62%	0.617	44%	0.435	S	S	*	.	H	α-helix	trans	-52.6	-34.6	-176.9	-75	-168.9	-170.7	0	0	113.2	L339 I343 L344 K345	L339-E341 PolarHBondContact O-N 3.06Å; E341-I343 VanDerWaalsContact C-N 3.32Å; E341-I343 PolarHBondContact O-N 3.29Å; E341-L344 PolarHBondContact O-N 2.81Å; E341-K345 WeakPolarHBondContact O-CB 3.49Å; E341-K345 VanDerWaalsContact O-CG 3.3Å; E341-K345 WeakPolarHBondContact O-CG 3.25Å; E341-K345 PolarHBondContact O-N 2.92Å; E341-K345 IonicContact OE2-NZ 3.13Å; E341-K345 PolarHBondContact OE2-NZ 3.47Å
342	R	74.7	Confident	73.1	Confident	189 Å²	189	93.8 Å²	93.8	71%	0.713	45%	0.445	S	S	*	.	H	α-helix	trans	-57.8	-45.4	176.8	-179.1	-179.5	174.5	-177.5	0.7	111.5	P340 E346	P340-R342 PolarHBondContact O-N 2.69Å; R342-E346 WeakPolarHBondContact CG-OE1 3.47Å; R342-E346 IonicContact NE-OE1 2.77Å; R342-E346 PolarHBondContact NE-OE1 3.13Å; R342-E346 WeakPolarHBondContact O-CG 3.48Å; R342-E346 PolarHBondContact O-N 3.09Å; R342-E346 VanDerWaalsContact O-N 3.15Å
343	I	74.8	Confident	72.2	Confident	10 Å²	10	91.6 Å²	91.6	5%	0.051	43%	0.434	C	S	.	.	H	α-helix	trans	-69.2	-43.1	179.5	-69.7	167.1	0	0	0	110.3	L83 K86 L339 P340 E341 K345 E346 I347	L83-I343 HydrophobicContact CD2-CD1 3.94Å; K86-I343 HydrophobicContact CD-CG1 4.34Å; L339-I343 HydrophobicContact CB-CG2 4.5Å; L339-I343 HydrophobicContact CD1-CG2 4.25Å; P340-I343 HydrophobicContact CB-CD1 4.37Å; P340-I343 HydrophobicContact CG-CD1 4.12Å; P340-I343 PolarHBondContact O-N 2.65Å; E341-I343 VanDerWaalsContact C-N 3.32Å; E341-I343 PolarHBondContact O-N 3.29Å; I343-K345 PolarHBondContact O-N 2.96Å; I343-E346 PolarHBondContact O-N 2.93Å; I343-I347 HydrophobicContact CG2-CD1 3.65Å; I343-I347 HydrophobicContact CG2-CG1 4.29Å; I343-I347 WeakPolarHBondContact O-CG1 2.84Å; I343-I347 PolarHBondContact O-N 3.22Å
344	L	74.6	Confident	71.4	Confident	77 Å²	77	88.5 Å²	88.5	40%	0.403	43%	0.426	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.7	-69.1	173.6	0	0	0	112.4	T338 L339 P340 E341 E346 I347 S348	T338-L344 HydrophobicContact CG2-CD1 4.42Å; L339-L344 HydrophobicContact CB-CD1 4.43Å; L339-L344 HydrophobicContact CB-CD2 3.9Å; L339-L344 HydrophobicContact CB-CG 3.86Å; L339-L344 HydrophobicContact CD1-CD2 4.08Å; L339-L344 WeakPolarHBondContact O-CD1 3.25Å; P340-L344 PolarHBondContact O-N 3.42Å; E341-L344 PolarHBondContact O-N 2.81Å; L344-E346 VanDerWaalsContact C-N 3.34Å; L344-E346 PolarHBondContact O-N 3.26Å; L344-I347 PolarHBondContact O-N 3.24Å; L344-S348 WeakPolarHBondContact O-CB 3.02Å; L344-S348 PolarHBondContact O-N 3.41Å
345	K	74.4	Confident	70.7	Confident	114 Å²	114	83.4 Å²	83.4	50%	0.496	41%	0.414	S	S	.	.	H	α-helix	trans	-60.3	-44.4	177	-75.7	169.2	-172.3	158.8	0	110.9	E341 I343 S348 Q349	E341-K345 WeakPolarHBondContact O-CB 3.49Å; E341-K345 VanDerWaalsContact O-CG 3.3Å; E341-K345 WeakPolarHBondContact O-CG 3.25Å; E341-K345 PolarHBondContact O-N 2.92Å; E341-K345 IonicContact OE2-NZ 3.13Å; E341-K345 PolarHBondContact OE2-NZ 3.47Å; I343-K345 PolarHBondContact O-N 2.96Å; K345-S348 PolarHBondContact O-N 3.09Å; K345-S348 PolarHBondContact O-OG 2.83Å; K345-Q349 WeakPolarHBondContact O-CG 3.37Å; K345-Q349 PolarHBondContact O-N 3.12Å
346	E	69.2	Low	69.3	Low	63 Å²	63	84.5 Å²	84.5	29%	0.294	43%	0.426	S	S	.	.	H	α-helix	trans	-69.8	-40.5	-179.9	-70.8	173.2	-157.2	0	0	112.9	K86 R342 I343 L344 S348 Q349 A350	K86-E346 WeakPolarHBondContact CE-OE2 3.48Å; K86-E346 IonicContact NZ-OE2 3.71Å; K86-E346 PolarHBondContact NZ-OE2 2.77Å; R342-E346 WeakPolarHBondContact CG-OE1 3.47Å; R342-E346 IonicContact NE-OE1 2.77Å; R342-E346 PolarHBondContact NE-OE1 3.13Å; R342-E346 WeakPolarHBondContact O-CG 3.48Å; R342-E346 PolarHBondContact O-N 3.09Å; R342-E346 VanDerWaalsContact O-N 3.15Å; I343-E346 PolarHBondContact O-N 2.93Å; L344-E346 VanDerWaalsContact C-N 3.34Å; L344-E346 PolarHBondContact O-N 3.26Å; E346-S348 VanDerWaalsContact C-N 3.31Å; E346-S348 PolarHBondContact O-N 3.48Å; E346-Q349 PolarHBondContact O-N 3.25Å; E346-Q349 VanDerWaalsContact O-N 3.15Å; E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 3.41Å
347	I	70.3	Confident	67.9	Low	27 Å²	27	84.7 Å²	84.7	14%	0.138	43%	0.425	C	S	.	.	H	α-helix	trans	-60.5	-44	173.2	-67.5	167.3	0	0	0	109.9	I79 L339 I343 L344 Q349 A350 N351	I79-I347 HydrophobicContact CG1-CD1 4.36Å; L339-I347 HydrophobicContact CD1-CD1 4.22Å; I343-I347 HydrophobicContact CG2-CD1 3.65Å; I343-I347 HydrophobicContact CG2-CG1 4.29Å; I343-I347 WeakPolarHBondContact O-CG1 2.84Å; I343-I347 PolarHBondContact O-N 3.22Å; L344-I347 PolarHBondContact O-N 3.24Å; I347-Q349 PolarHBondContact O-N 3.18Å; I347-A350 PolarHBondContact O-N 3.07Å; I347-N351 VanDerWaalsContact O-CG 3.3Å; I347-N351 PolarHBondContact O-N 3.41Å; I347-N351 PolarHBondContact O-OD1 3.35Å
348	S	73.7	Confident	66.5	Low	54 Å²	54	88.9 Å²	88.9	38%	0.378	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-31.3	177.1	80.6	0	0	0	0	113.1	L344 K345 E346 K352	L344-S348 WeakPolarHBondContact O-CB 3.02Å; L344-S348 PolarHBondContact O-N 3.41Å; K345-S348 PolarHBondContact O-N 3.09Å; K345-S348 PolarHBondContact O-OG 2.83Å; E346-S348 VanDerWaalsContact C-N 3.31Å; E346-S348 PolarHBondContact O-N 3.48Å; S348-K352 WeakPolarHBondContact O-CB 3.37Å; S348-K352 VanDerWaalsContact O-CG 3.23Å; S348-K352 WeakPolarHBondContact O-CG 3.28Å; S348-K352 PolarHBondContact O-N 3.11Å
349	Q	72	Confident	65	Low	113 Å²	113	91.7 Å²	91.7	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-77	-39.9	175.7	-74.5	176.1	0.7	0	0	111.9	K345 E346 I347 K352 N353	K345-Q349 WeakPolarHBondContact O-CG 3.37Å; K345-Q349 PolarHBondContact O-N 3.12Å; E346-Q349 PolarHBondContact O-N 3.25Å; E346-Q349 VanDerWaalsContact O-N 3.15Å; I347-Q349 PolarHBondContact O-N 3.18Å; Q349-K352 PolarHBondContact O-N 3.14Å; Q349-N353 WeakPolarHBondContact O-CB 3.43Å; Q349-N353 PolarHBondContact O-N 2.92Å; Q349-N353 PolarHBondContact O-ND2 3.41Å
350	A	65.5	Low	63.8	Low	41 Å²	41	97.4 Å²	97.4	34%	0.339	48%	0.482	S	S	.	.	H	α-helix	trans	-59.6	-49	174.6	0	0	0	0	0	110.8	E346 I347 K352 N353 E354	E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 3.41Å; I347-A350 PolarHBondContact O-N 3.07Å; A350-K352 VanDerWaalsContact C-N 3.34Å; A350-K352 PolarHBondContact O-N 2.82Å; A350-N353 PolarHBondContact O-N 2.9Å; A350-E354 PolarHBondContact O-N 3.27Å
351	N	67.5	Low	62.1	Low	72 Å²	72	98.3 Å²	98.3	39%	0.385	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-39.1	178.5	-64.7	5.6	0	0	0	111.8	I347 N353 E354 D355	I347-N351 VanDerWaalsContact O-CG 3.3Å; I347-N351 PolarHBondContact O-N 3.41Å; I347-N351 PolarHBondContact O-OD1 3.35Å; N351-N353 VanDerWaalsContact C-N 3.34Å; N351-N353 PolarHBondContact O-N 2.94Å; N351-E354 PolarHBondContact O-N 3.19Å; N351-D355 PolarHBondContact O-N 3.48Å
352	K	67.5	Low	60.4	Low	136 Å²	136	99 Å²	99	59%	0.591	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-38.1	172.7	-78.9	175.6	-177.9	-179.4	0	112.8	S348 Q349 A350 T356	S348-K352 WeakPolarHBondContact O-CB 3.37Å; S348-K352 VanDerWaalsContact O-CG 3.23Å; S348-K352 WeakPolarHBondContact O-CG 3.28Å; S348-K352 PolarHBondContact O-N 3.11Å; Q349-K352 PolarHBondContact O-N 3.14Å; A350-K352 VanDerWaalsContact C-N 3.34Å; A350-K352 PolarHBondContact O-N 2.82Å; K352-T356 WeakPolarHBondContact O-CB 3.36Å; K352-T356 PolarHBondContact O-N 3.04Å; K352-T356 PolarHBondContact O-OG1 3.19Å
353	N	57.3	Low	58.8	Low	101 Å²	101	99.4 Å²	99.4	54%	0.54	53%	0.532	S	S	.	.	H	α-helix	trans	-72.8	-33.9	179.3	-71.8	-16.6	0	0	0	111.7	Q349 A350 N351 T356 K357	Q349-N353 WeakPolarHBondContact O-CB 3.43Å; Q349-N353 PolarHBondContact O-N 2.92Å; Q349-N353 PolarHBondContact O-ND2 3.41Å; A350-N353 PolarHBondContact O-N 2.9Å; N351-N353 VanDerWaalsContact C-N 3.34Å; N351-N353 PolarHBondContact O-N 2.94Å; N353-T356 PolarHBondContact O-N 2.82Å; N353-K357 WeakPolarHBondContact O-CG 3.42Å; N353-K357 PolarHBondContact O-N 3.05Å
354	E	56.8	Low	58	Low	120 Å²	120	103.9 Å²	103.9	56%	0.561	56%	0.556	S	S	*	*	H	α-helix	trans	-68.2	-45.7	171.4	-74.8	-171.4	164.4	0	0	112.1	A350 N351 T356 K357 V358	A350-E354 PolarHBondContact O-N 3.27Å; N351-E354 PolarHBondContact O-N 3.19Å; E354-T356 PolarHBondContact O-N 3.28Å; E354-K357 PolarHBondContact O-N 3.15Å; E354-V358 WeakPolarHBondContact O-CG2 3.32Å; E354-V358 PolarHBondContact O-N 3.3Å
355	D	53.7	Low	57.2	Low	102 Å²	102	105.3 Å²	105.3	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-56	-35.7	172.2	-78.5	-26	0	0	0	111.9	N351 K359	N351-D355 PolarHBondContact O-N 3.48Å; D355-K359 WeakPolarHBondContact O-CB 3.39Å; D355-K359 VanDerWaalsContact O-CG 3.28Å; D355-K359 WeakPolarHBondContact O-CG 3.49Å; D355-K359 PolarHBondContact O-N 3.41Å
356	T	45.4	Very low	56.2	Low	71 Å²	71	104.8 Å²	104.8	44%	0.436	57%	0.568	S	S	.	*	H	α-helix	trans	-74.4	-37.2	177.3	-51.5	0	0	0	0	111.7	K352 N353 E354 K359 L360	K352-T356 WeakPolarHBondContact O-CB 3.36Å; K352-T356 PolarHBondContact O-N 3.04Å; K352-T356 PolarHBondContact O-OG1 3.19Å; N353-T356 PolarHBondContact O-N 2.82Å; E354-T356 PolarHBondContact O-N 3.28Å; T356-K359 PolarHBondContact O-N 2.91Å; T356-L360 HydrophobicContact CG2-CD1 3.85Å; T356-L360 WeakPolarHBondContact O-CB 3.13Å; T356-L360 WeakPolarHBondContact O-CG 3.38Å; T356-L360 PolarHBondContact O-N 3.29Å
357	K	47.3	Very low	55.4	Low	161 Å²	161	107.2 Å²	107.2	70%	0.7	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-39.8	173.1	-81.1	-178.3	178.3	178.3	0	112.4	N353 E354 K359 L360 G361	N353-K357 WeakPolarHBondContact O-CG 3.42Å; N353-K357 PolarHBondContact O-N 3.05Å; E354-K357 PolarHBondContact O-N 3.15Å; K357-K359 VanDerWaalsContact C-N 3.3Å; K357-K359 PolarHBondContact O-N 2.94Å; K357-L360 PolarHBondContact O-N 2.96Å; K357-G361 PolarHBondContact O-N 3.34Å
358	V	48.8	Very low	54.5	Low	112 Å²	112	112.3 Å²	112.3	68%	0.679	61%	0.612	S	S	*	*	H	α-helix	trans	-64.1	-37.4	173.9	174.9	0	0	0	0	110.4	E354	E354-V358 WeakPolarHBondContact O-CG2 3.32Å; E354-V358 PolarHBondContact O-N 3.3Å
359	K	45.9	Very low	53.2	Low	175 Å²	175	116.1 Å²	116.1	76%	0.761	63%	0.627	S	S	*	*	H	α-helix	trans	-72.3	-32.2	174.8	-76.5	178.2	-177.2	178.8	0	114.5	D355 T356 K357	D355-K359 WeakPolarHBondContact O-CB 3.39Å; D355-K359 VanDerWaalsContact O-CG 3.28Å; D355-K359 WeakPolarHBondContact O-CG 3.49Å; D355-K359 PolarHBondContact O-N 3.41Å; T356-K359 PolarHBondContact O-N 2.91Å; K357-K359 VanDerWaalsContact C-N 3.3Å; K357-K359 PolarHBondContact O-N 2.94Å
360	L	50.4	Low	51.9	Low	142 Å²	142	116.4 Å²	116.4	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-85	-13.5	177.8	-75.2	163	0	0	0	113.2	T356 K357	T356-L360 HydrophobicContact CG2-CD1 3.85Å; T356-L360 WeakPolarHBondContact O-CB 3.13Å; T356-L360 WeakPolarHBondContact O-CG 3.38Å; T356-L360 PolarHBondContact O-N 3.29Å; K357-L360 PolarHBondContact O-N 2.96Å
361	G	38.4	Very low	50.9	Low	52 Å²	52	122.2 Å²	122.2	54%	0.536	66%	0.657	S	S	.	*	S	Bend	trans	-85.7	4.6	-175	0	0	0	0	0	116.2	K357 P363	K357-G361 PolarHBondContact O-N 3.34Å; G361-P363 WeakPolarHBondContact O-CD 3.39Å
362	N	40.6	Very low	49.5	Very low	147 Å²	147	126.3 Å²	126.3	79%	0.786	68%	0.68	S	S	*	*			trans	-100.3	109.1	170.6	-92.5	-7.9	0	0	0	110.1
363	P	41.6	Very low	47.8	Very low	197 Å²	197	125.5 Å²	125.5	100%	1.279	69%	0.688	S	S	*	*			trans	-66	0	168.6	27.4	-32.2	0	0	0	112.9	G361	G361-P363 WeakPolarHBondContact O-CD 3.39Å

Retrieved 363 of 363 residues in 996.1 ms (Link to these results)

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