A0A087X577_POEFO Loading...

ATP-dependent DNA helicase

AlphaFold DB , UniProt , Accession A0A087X577, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	55.1	Low	237 Å²	237	112.2 Å²	112.2	100%	1.167	65%	0.646	S	S	*	*				0	53.4	0	-76.7	175.5	165	0	0	109.5
2	D	47.7	Very low	56.8	Low	147 Å²	147	106.8 Å²	106.8	79%	0.786	63%	0.625	S	S	*	*			trans	-128.9	1.3	-174	-93.3	-27.4	0	0	0	114.8
3	S	46.6	Very low	58.5	Low	114 Å²	114	108.6 Å²	108.6	80%	0.797	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-6.7	-179	50.5	0	0	0	0	114.9	T7	S3-T7 PolarHBondContact O-OG1 2.65Å; S3-T7 VanDerWaalsContact O-OG1 3.13Å
4	G	47.8	Very low	59.3	Low	42 Å²	42	106.5 Å²	106.5	43%	0.433	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-7.6	-174.8	0	0	0	0	0	115.8
5	V	53	Low	60.3	Low	93 Å²	93	104.8 Å²	104.8	56%	0.564	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-45	179.6	-178.5	0	0	0	0	110.2	T7 K8 D9	V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.44Å; V5-K8 PolarHBondContact O-N 3.22Å; V5-D9 PolarHBondContact O-N 3.43Å
6	G	52.5	Low	61.6	Low	46 Å²	46	105.9 Å²	105.9	47%	0.474	60%	0.6	S	S	.	*	H	α-helix	trans	-66.7	-28.1	179.5	0	0	0	0	0	114.9	V10	G6-V10 VanDerWaalsContact O-CG2 3.24Å; G6-V10 WeakPolarHBondContact O-CG2 3.36Å; G6-V10 PolarHBondContact O-N 2.93Å
7	T	53.4	Low	62.7	Low	94 Å²	94	103.8 Å²	103.8	58%	0.577	59%	0.589	S	S	*	*	H	α-helix	trans	-74.5	-28.5	175.8	16.7	0	0	0	0	112.8	S3 V5 Q11	S3-T7 PolarHBondContact O-OG1 2.65Å; S3-T7 VanDerWaalsContact O-OG1 3.13Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.44Å; T7-Q11 WeakPolarHBondContact O-CB 3.37Å; T7-Q11 PolarHBondContact O-N 2.97Å; T7-Q11 VanDerWaalsContact O-N 3.12Å
8	K	58.5	Low	63	Low	161 Å²	161	103.9 Å²	103.9	70%	0.7	58%	0.584	S	S	*	*	H	α-helix	trans	-76.2	-37.4	176.4	-75.1	-175	175.6	-175.2	0	112.1	V5 Q11 A12	V5-K8 PolarHBondContact O-N 3.22Å; K8-Q11 PolarHBondContact O-N 3.32Å; K8-A12 WeakPolarHBondContact O-CB 3.5Å; K8-A12 PolarHBondContact O-N 3.3Å
9	D	67.4	Low	63.6	Low	109 Å²	109	101.2 Å²	101.2	58%	0.583	58%	0.576	S	S	*	*	H	α-helix	trans	-66.5	-42.4	174.7	-81.1	-20.1	0	0	0	111.6	V5 Q11 A12 E13	V5-D9 PolarHBondContact O-N 3.43Å; D9-Q11 VanDerWaalsContact C-N 3.32Å; D9-Q11 PolarHBondContact O-N 2.81Å; D9-A12 PolarHBondContact O-N 2.97Å; D9-E13 WeakPolarHBondContact O-CB 3.32Å; D9-E13 PolarHBondContact O-N 3.25Å
10	V	71.1	Confident	64.2	Low	94 Å²	94	102.8 Å²	102.8	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-64.9	-36.3	175.5	173.4	0	0	0	0	111.8	G6 L14	G6-V10 VanDerWaalsContact O-CG2 3.24Å; G6-V10 WeakPolarHBondContact O-CG2 3.36Å; G6-V10 PolarHBondContact O-N 2.93Å; V10-L14 WeakPolarHBondContact O-CB 3.43Å; V10-L14 PolarHBondContact O-N 2.91Å
11	Q	61.9	Low	64.3	Low	97 Å²	97	102.3 Å²	102.3	45%	0.453	57%	0.574	S	S	.	*	H	α-helix	trans	-68.3	-41.7	175.3	-171.7	63.8	48	0	0	111.6	T7 K8 D9 E13 L14 D15	T7-Q11 WeakPolarHBondContact O-CB 3.37Å; T7-Q11 PolarHBondContact O-N 2.97Å; T7-Q11 VanDerWaalsContact O-N 3.12Å; K8-Q11 PolarHBondContact O-N 3.32Å; D9-Q11 VanDerWaalsContact C-N 3.32Å; D9-Q11 PolarHBondContact O-N 2.81Å; Q11-E13 VanDerWaalsContact C-N 3.33Å; Q11-E13 PolarHBondContact O-N 2.96Å; Q11-L14 PolarHBondContact O-N 3.11Å; Q11-D15 PolarHBondContact NE2-OD1 3.44Å; Q11-D15 PolarHBondContact O-N 3.2Å
12	A	75.5	Confident	65.4	Low	48 Å²	48	96.6 Å²	96.6	40%	0.397	55%	0.545	S	S	.	.	H	α-helix	trans	-65.2	-37.5	176.7	0	0	0	0	0	112.1	K8 D9 L16	K8-A12 WeakPolarHBondContact O-CB 3.5Å; K8-A12 PolarHBondContact O-N 3.3Å; D9-A12 PolarHBondContact O-N 2.97Å; A12-L16 WeakPolarHBondContact O-CG 3.32Å; A12-L16 PolarHBondContact O-N 3.46Å; A12-L16 VanDerWaalsContact O-N 3.11Å
13	E	78.9	Confident	66.4	Low	130 Å²	130	95.4 Å²	95.4	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-39.8	174.2	-165.6	176.5	-171.6	0	0	111.5	D9 Q11 L16 V17	D9-E13 WeakPolarHBondContact O-CB 3.32Å; D9-E13 PolarHBondContact O-N 3.25Å; Q11-E13 VanDerWaalsContact C-N 3.33Å; Q11-E13 PolarHBondContact O-N 2.96Å; E13-L16 PolarHBondContact O-N 2.95Å; E13-V17 WeakPolarHBondContact O-CG2 3.36Å; E13-V17 PolarHBondContact O-N 3.29Å
14	L	69.4	Low	67.8	Low	79 Å²	79	93.7 Å²	93.7	41%	0.414	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-46.1	173.8	-174.8	66.5	0	0	0	111.7	V10 Q11 L16 V17 E18	V10-L14 WeakPolarHBondContact O-CB 3.43Å; V10-L14 PolarHBondContact O-N 2.91Å; Q11-L14 PolarHBondContact O-N 3.11Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.94Å; L14-V17 PolarHBondContact O-N 3.4Å; L14-E18 WeakPolarHBondContact O-CB 3.49Å; L14-E18 WeakPolarHBondContact O-CG 3.31Å; L14-E18 PolarHBondContact O-N 3.25Å
15	D	74.4	Confident	68.6	Low	81 Å²	81	94.8 Å²	94.8	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-35.6	179.2	-63.5	-12.8	0	0	0	111.5	Q11 A19	Q11-D15 PolarHBondContact NE2-OD1 3.44Å; Q11-D15 PolarHBondContact O-N 3.2Å; D15-A19 WeakPolarHBondContact O-CB 3.29Å; D15-A19 PolarHBondContact O-N 2.96Å
16	L	81.4	Confident	69.5	Low	122 Å²	122	94.1 Å²	94.1	64%	0.639	51%	0.505	S	S	*	.	H	α-helix	trans	-67.7	-44.4	174.3	-77	168.7	0	0	0	112.3	A12 E13 L14 E18 A19 E20	A12-L16 WeakPolarHBondContact O-CG 3.32Å; A12-L16 PolarHBondContact O-N 3.46Å; A12-L16 VanDerWaalsContact O-N 3.11Å; E13-L16 PolarHBondContact O-N 2.95Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.94Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-A19 PolarHBondContact O-N 3.19Å; L16-E20 PolarHBondContact O-N 3.15Å
17	V	79.4	Confident	70.5	Confident	70 Å²	70	96.7 Å²	96.7	42%	0.424	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-38.1	177.2	172	0	0	0	0	111	E13 L14 E20 L21	E13-V17 WeakPolarHBondContact O-CG2 3.36Å; E13-V17 PolarHBondContact O-N 3.29Å; L14-V17 PolarHBondContact O-N 3.4Å; V17-E20 PolarHBondContact O-N 2.98Å; V17-L21 HydrophobicContact CG1-CD1 4.15Å; V17-L21 WeakPolarHBondContact O-CB 3.21Å; V17-L21 PolarHBondContact O-N 3.37Å
18	E	69.3	Low	71.4	Confident	106 Å²	106	95.7 Å²	95.7	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-41.8	173.5	-75.8	-174.5	169.7	0	0	111.6	L14 L16 L21 E22	L14-E18 WeakPolarHBondContact O-CB 3.49Å; L14-E18 WeakPolarHBondContact O-CG 3.31Å; L14-E18 PolarHBondContact O-N 3.25Å; L16-E18 VanDerWaalsContact C-N 3.34Å; E18-L21 WeakPolarHBondContact O-CB 3.4Å; E18-L21 PolarHBondContact O-N 2.62Å; E18-E22 WeakPolarHBondContact O-CG 3.45Å; E18-E22 PolarHBondContact O-N 3.22Å
19	A	73.9	Confident	71.5	Confident	53 Å²	53	90.2 Å²	90.2	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-65.2	-40.6	175.9	0	0	0	0	0	113	D15 L16 E22 Q23	D15-A19 WeakPolarHBondContact O-CB 3.29Å; D15-A19 PolarHBondContact O-N 2.96Å; L16-A19 PolarHBondContact O-N 3.19Å; A19-E22 PolarHBondContact O-N 3.05Å; A19-Q23 PolarHBondContact O-N 3.06Å
20	E	74.6	Confident	71.8	Confident	133 Å²	133	91.3 Å²	91.3	62%	0.621	49%	0.485	S	S	*	.	H	α-helix	trans	-65.1	-41.3	173.6	-78.1	-168.9	169.3	0	0	111.8	L16 V17 E22 Q23 V24	L16-E20 PolarHBondContact O-N 3.15Å; V17-E20 PolarHBondContact O-N 2.98Å; E20-E22 VanDerWaalsContact C-N 3.35Å; E20-E22 PolarHBondContact O-N 3.34Å; E20-Q23 PolarHBondContact O-N 3.22Å; E20-V24 WeakPolarHBondContact O-CG2 3.47Å; E20-V24 PolarHBondContact O-N 3.35Å
21	L	67.2	Low	71.6	Confident	93 Å²	93	92.2 Å²	92.2	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-58.2	-46	173.2	-97.4	157	0	0	0	111.3	V17 E18 Q23 V24 E25	V17-L21 HydrophobicContact CG1-CD1 4.15Å; V17-L21 WeakPolarHBondContact O-CB 3.21Å; V17-L21 PolarHBondContact O-N 3.37Å; E18-L21 WeakPolarHBondContact O-CB 3.4Å; E18-L21 PolarHBondContact O-N 2.62Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 3.32Å; L21-V24 PolarHBondContact O-N 3.04Å; L21-E25 WeakPolarHBondContact O-CB 3.46Å; L21-E25 VanDerWaalsContact O-CG 3.26Å; L21-E25 WeakPolarHBondContact O-CG 3.28Å; L21-E25 PolarHBondContact O-N 2.92Å
22	E	68.3	Low	71.7	Confident	117 Å²	117	92.3 Å²	92.3	55%	0.547	49%	0.489	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.5	-76.3	-170.5	167.8	0	0	112.2	E18 A19 E20 E25 L26	E18-E22 WeakPolarHBondContact O-CG 3.45Å; E18-E22 PolarHBondContact O-N 3.22Å; A19-E22 PolarHBondContact O-N 3.05Å; E20-E22 VanDerWaalsContact C-N 3.35Å; E20-E22 PolarHBondContact O-N 3.34Å; E22-E25 PolarHBondContact O-N 3.44Å; E22-L26 PolarHBondContact O-N 2.86Å
23	Q	70.1	Confident	71.3	Confident	122 Å²	122	95.9 Å²	95.9	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-67.5	-43.5	178.1	-170	174.6	9.7	0	0	112.2	A19 E20 L21 E25 L26 Q27	A19-Q23 PolarHBondContact O-N 3.06Å; E20-Q23 PolarHBondContact O-N 3.22Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 3.32Å; Q23-E25 VanDerWaalsContact C-N 3.32Å; Q23-L26 PolarHBondContact O-N 3.17Å; Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.25Å; Q23-Q27 VanDerWaalsContact O-N 3.12Å
24	V	75.5	Confident	70.8	Confident	78 Å²	78	95.7 Å²	95.7	47%	0.473	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-39.9	174.9	172.8	0	0	0	0	110.5	E20 L21 L26 Q27 V28	E20-V24 WeakPolarHBondContact O-CG2 3.47Å; E20-V24 PolarHBondContact O-N 3.35Å; L21-V24 PolarHBondContact O-N 3.04Å; V24-L26 PolarHBondContact O-N 3.14Å; V24-Q27 WeakPolarHBondContact O-CB 3.39Å; V24-Q27 PolarHBondContact O-N 2.73Å; V24-V28 WeakPolarHBondContact O-CG2 3.46Å; V24-V28 PolarHBondContact O-N 2.99Å
25	E	64.9	Low	70.7	Confident	64 Å²	64	97.4 Å²	97.4	30%	0.299	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-38	177.1	-76.1	-170.2	161	0	0	112.6	L21 E22 Q23 V28 A29 R583	L21-E25 WeakPolarHBondContact O-CB 3.46Å; L21-E25 VanDerWaalsContact O-CG 3.26Å; L21-E25 WeakPolarHBondContact O-CG 3.28Å; L21-E25 PolarHBondContact O-N 2.92Å; E22-E25 PolarHBondContact O-N 3.44Å; Q23-E25 VanDerWaalsContact C-N 3.32Å; E25-V28 PolarHBondContact O-N 3.43Å; E25-A29 PolarHBondContact O-N 3.05Å; E25-R583 VanDerWaalsContact CD-NE 3.26Å; E25-R583 IonicContact OE1-CZ 3.43Å; E25-R583 IonicContact OE1-NE 2.98Å; E25-R583 PolarHBondContact OE1-NE 3.48Å; E25-R583 IonicContact OE1-NH2 3.36Å; E25-R583 PolarHBondContact OE1-NH2 2.91Å; E25-R583 VanDerWaalsContact OE2-CD 3.26Å; E25-R583 WeakPolarHBondContact OE2-CD 3.43Å; E25-R583 WeakPolarHBondContact OE2-CG 3.27Å; E25-R583 IonicContact OE2-CZ 2.69Å; E25-R583 IonicContact OE2-NE 2.86Å; E25-R583 PolarHBondContact OE2-NE 3.38Å; E25-R583 IonicContact OE2-NH2 3.55Å
26	L	71.5	Confident	70	Confident	79 Å²	79	96.6 Å²	96.6	41%	0.414	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-45.1	171.8	-86.4	161.7	0	0	0	111.6	E22 Q23 V24 V28 A29 E30 L587	E22-L26 PolarHBondContact O-N 2.86Å; Q23-L26 PolarHBondContact O-N 3.17Å; V24-L26 PolarHBondContact O-N 3.14Å; L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.12Å; L26-A29 WeakPolarHBondContact O-CB 3.45Å; L26-A29 PolarHBondContact O-N 3.1Å; L26-E30 PolarHBondContact O-N 2.98Å; L26-L587 HydrophobicContact CD2-CD2 4.26Å
27	Q	72.8	Confident	69.7	Low	101 Å²	101	96.6 Å²	96.6	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-40.5	176	-70	176.1	-8.8	0	0	111.9	Q23 V24 A29 E30 L31	Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.25Å; Q23-Q27 VanDerWaalsContact O-N 3.12Å; V24-Q27 WeakPolarHBondContact O-CB 3.39Å; V24-Q27 PolarHBondContact O-N 2.73Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.25Å; Q27-E30 PolarHBondContact O-N 3.23Å; Q27-L31 WeakPolarHBondContact O-CB 3.4Å; Q27-L31 VanDerWaalsContact O-CG 3.24Å; Q27-L31 WeakPolarHBondContact O-CG 3.03Å; Q27-L31 PolarHBondContact O-N 3.04Å
28	V	73	Confident	69.1	Low	73 Å²	73	98.1 Å²	98.1	44%	0.442	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-41.7	174.9	171	0	0	0	0	111.1	V24 E25 L26 L31 L32	V24-V28 WeakPolarHBondContact O-CG2 3.46Å; V24-V28 PolarHBondContact O-N 2.99Å; E25-V28 PolarHBondContact O-N 3.43Å; L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.12Å; V28-L31 PolarHBondContact O-N 3.34Å; V28-L32 HydrophobicContact CG1-CD1 4.02Å; V28-L32 HydrophobicContact CG1-CG 4.36Å; V28-L32 WeakPolarHBondContact O-CB 3.34Å; V28-L32 VanDerWaalsContact O-CG 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 3.08Å
29	A	60.9	Low	68.9	Low	45 Å²	45	97 Å²	97	37%	0.372	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-43.9	176.9	0	0	0	0	0	112	E25 L26 Q27 L32 E33	E25-A29 PolarHBondContact O-N 3.05Å; L26-A29 WeakPolarHBondContact O-CB 3.45Å; L26-A29 PolarHBondContact O-N 3.1Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.25Å; A29-L32 PolarHBondContact O-N 3.11Å; A29-E33 PolarHBondContact O-N 3.01Å
30	E	73	Confident	68.6	Low	132 Å²	132	98.2 Å²	98.2	62%	0.617	51%	0.513	S	S	*	.	H	α-helix	trans	-62.8	-41	174.6	-72.5	-178.7	177.4	0	0	112.1	L26 Q27 E33 K34	L26-E30 PolarHBondContact O-N 2.98Å; Q27-E30 PolarHBondContact O-N 3.23Å; E30-E33 PolarHBondContact O-N 3.45Å; E30-K34 WeakPolarHBondContact O-CB 3.31Å; E30-K34 PolarHBondContact O-N 2.72Å
31	L	68.4	Low	68.7	Low	114 Å²	114	100.3 Å²	100.3	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-66.1	-38.3	176.8	-73.6	171.8	0	0	0	112.4	Q27 V28 K34 Q35	Q27-L31 WeakPolarHBondContact O-CB 3.4Å; Q27-L31 VanDerWaalsContact O-CG 3.24Å; Q27-L31 WeakPolarHBondContact O-CG 3.03Å; Q27-L31 PolarHBondContact O-N 3.04Å; V28-L31 PolarHBondContact O-N 3.34Å; L31-K34 PolarHBondContact O-N 3.42Å; L31-Q35 WeakPolarHBondContact O-CB 3.47Å; L31-Q35 PolarHBondContact O-N 3.09Å
32	L	63.8	Low	69	Low	98 Å²	98	102.4 Å²	102.4	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-66.6	-40.3	174.7	-74.3	171.7	0	0	0	111.7	V28 A29 Q35 A36	V28-L32 HydrophobicContact CG1-CD1 4.02Å; V28-L32 HydrophobicContact CG1-CG 4.36Å; V28-L32 WeakPolarHBondContact O-CB 3.34Å; V28-L32 VanDerWaalsContact O-CG 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 3.08Å; A29-L32 PolarHBondContact O-N 3.11Å; L32-Q35 WeakPolarHBondContact O-CB 3.43Å; L32-Q35 PolarHBondContact O-N 3.05Å; L32-A36 PolarHBondContact O-N 3.24Å
33	E	66.5	Low	68.8	Low	124 Å²	124	99.6 Å²	99.6	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-63.8	-44.2	174.3	-173.1	172.6	-179.8	0	0	111.1	A29 E30 Q35 A36 Q37	A29-E33 PolarHBondContact O-N 3.01Å; E30-E33 PolarHBondContact O-N 3.45Å; E33-Q35 VanDerWaalsContact C-N 3.32Å; E33-Q35 PolarHBondContact O-N 3.22Å; E33-A36 PolarHBondContact O-N 3.43Å; E33-Q37 WeakPolarHBondContact O-CG 3.48Å; E33-Q37 PolarHBondContact O-N 3.24Å
34	K	68.1	Low	68.9	Low	125 Å²	125	96.1 Å²	96.1	54%	0.543	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-39.2	174.1	-168.6	171.4	-175.5	174.9	0	112	E30 L31 Q37 L38	E30-K34 WeakPolarHBondContact O-CB 3.31Å; E30-K34 PolarHBondContact O-N 2.72Å; L31-K34 PolarHBondContact O-N 3.42Å; K34-Q37 PolarHBondContact O-N 2.86Å; K34-L38 HydrophobicContact CG-CD1 4.19Å; K34-L38 WeakPolarHBondContact O-CB 3.29Å; K34-L38 VanDerWaalsContact O-CG 3.25Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 2.94Å
35	Q	67.2	Low	68.8	Low	116 Å²	116	96.4 Å²	96.4	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-43.6	174.4	-173.8	-176.5	28.6	0	0	111.3	L31 L32 E33 L38 T39	L31-Q35 WeakPolarHBondContact O-CB 3.47Å; L31-Q35 PolarHBondContact O-N 3.09Å; L32-Q35 WeakPolarHBondContact O-CB 3.43Å; L32-Q35 PolarHBondContact O-N 3.05Å; E33-Q35 VanDerWaalsContact C-N 3.32Å; E33-Q35 PolarHBondContact O-N 3.22Å; Q35-L38 PolarHBondContact O-N 3.38Å; Q35-T39 WeakPolarHBondContact O-CB 3.46Å; Q35-T39 PolarHBondContact O-N 2.87Å; Q35-T39 PolarHBondContact O-OG1 3.22Å
36	A	59.8	Low	68.8	Low	64 Å²	64	97.7 Å²	97.7	53%	0.529	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.4	0	0	0	0	0	111.7	L32 E33 T39 S40	L32-A36 PolarHBondContact O-N 3.24Å; E33-A36 PolarHBondContact O-N 3.43Å; A36-T39 PolarHBondContact O-N 3.32Å; A36-S40 WeakPolarHBondContact O-CB 3.41Å; A36-S40 PolarHBondContact O-N 2.74Å
37	Q	75.1	Confident	68.7	Low	122 Å²	122	97.3 Å²	97.3	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-60.4	-46.3	174.5	-71.8	179	5.6	0	0	112	E33 K34 T39 S40 R41	E33-Q37 WeakPolarHBondContact O-CG 3.48Å; E33-Q37 PolarHBondContact O-N 3.24Å; K34-Q37 PolarHBondContact O-N 2.86Å; Q37-T39 VanDerWaalsContact C-N 3.32Å; Q37-T39 PolarHBondContact O-N 3.42Å; Q37-S40 PolarHBondContact O-N 3.28Å; Q37-R41 WeakPolarHBondContact O-CB 3.27Å; Q37-R41 PolarHBondContact O-N 3.43Å
38	L	66.6	Low	68.8	Low	102 Å²	102	98.2 Å²	98.2	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-35.3	177.9	-73.2	171.7	0	0	0	112.3	K34 Q35 R41 K42	K34-L38 HydrophobicContact CG-CD1 4.19Å; K34-L38 WeakPolarHBondContact O-CB 3.29Å; K34-L38 VanDerWaalsContact O-CG 3.25Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 2.94Å; Q35-L38 PolarHBondContact O-N 3.38Å; L38-R41 PolarHBondContact O-N 3.27Å; L38-K42 VanDerWaalsContact O-CB 3.27Å; L38-K42 WeakPolarHBondContact O-CB 3.2Å; L38-K42 PolarHBondContact O-N 3.18Å
39	T	65.2	Low	68.6	Low	82 Å²	82	99.8 Å²	99.8	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-70.2	-40.1	177.2	-55.1	0	0	0	0	111.5	Q35 A36 Q37 K42 S43	Q35-T39 WeakPolarHBondContact O-CB 3.46Å; Q35-T39 PolarHBondContact O-N 2.87Å; Q35-T39 PolarHBondContact O-OG1 3.22Å; A36-T39 PolarHBondContact O-N 3.32Å; Q37-T39 VanDerWaalsContact C-N 3.32Å; Q37-T39 PolarHBondContact O-N 3.42Å; T39-K42 PolarHBondContact O-N 3Å; T39-S43 PolarHBondContact O-N 3.23Å; T39-S43 PolarHBondContact O-OG 3.24Å
40	S	68.8	Low	68.8	Low	79 Å²	79	101.4 Å²	101.4	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-61.6	-45.1	171	-178.3	0	0	0	0	111.5	A36 Q37 K42 S43 A44	A36-S40 WeakPolarHBondContact O-CB 3.41Å; A36-S40 PolarHBondContact O-N 2.74Å; Q37-S40 PolarHBondContact O-N 3.28Å; S40-K42 PolarHBondContact O-N 2.78Å; S40-S43 WeakPolarHBondContact CA-OG 3.05Å; S40-S43 PolarHBondContact O-N 2.93Å; S40-S43 PolarHBondContact O-OG 3.08Å; S40-A44 PolarHBondContact O-N 3.05Å
41	R	76.3	Confident	68.8	Low	177 Å²	177	101.3 Å²	101.3	67%	0.668	52%	0.52	S	S	*	.	H	α-helix	trans	-64.7	-40.3	175.9	-170.9	171.9	-179.3	170.2	-0.1	112.6	Q37 L38 A44 L45	Q37-R41 WeakPolarHBondContact O-CB 3.27Å; Q37-R41 PolarHBondContact O-N 3.43Å; L38-R41 PolarHBondContact O-N 3.27Å; R41-A44 PolarHBondContact O-N 2.7Å; R41-L45 HydrophobicContact CG-CD1 4.21Å; R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 WeakPolarHBondContact O-CG 3.46Å; R41-L45 PolarHBondContact O-N 3.48Å
42	K	72.3	Confident	68.8	Low	136 Å²	136	97.9 Å²	97.9	59%	0.591	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-45.1	175.6	177.7	-178.9	174.9	-180	0	111.4	L38 T39 S40 L45 L46	L38-K42 VanDerWaalsContact O-CB 3.27Å; L38-K42 WeakPolarHBondContact O-CB 3.2Å; L38-K42 PolarHBondContact O-N 3.18Å; T39-K42 PolarHBondContact O-N 3Å; S40-K42 PolarHBondContact O-N 2.78Å; K42-L45 PolarHBondContact O-N 2.73Å; K42-L46 HydrophobicContact CG-CD1 4.13Å; K42-L46 WeakPolarHBondContact O-CB 3.23Å; K42-L46 VanDerWaalsContact O-CG 3.32Å; K42-L46 WeakPolarHBondContact O-CG 3.41Å; K42-L46 PolarHBondContact O-N 3.03Å
43	S	64.3	Low	68.4	Low	58 Å²	58	97.3 Å²	97.3	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-39.9	178	43.4	0	0	0	0	112.1	T39 S40 L46 L47	T39-S43 PolarHBondContact O-N 3.23Å; T39-S43 PolarHBondContact O-OG 3.24Å; S40-S43 WeakPolarHBondContact CA-OG 3.05Å; S40-S43 PolarHBondContact O-N 2.93Å; S40-S43 PolarHBondContact O-OG 3.08Å; S43-L46 PolarHBondContact O-N 3.42Å; S43-L47 PolarHBondContact O-N 2.92Å
44	A	72.9	Confident	67.8	Low	49 Å²	49	97.5 Å²	97.5	41%	0.405	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-42.5	172.7	0	0	0	0	0	112.8	S40 R41 L47 Q48	S40-A44 PolarHBondContact O-N 3.05Å; R41-A44 PolarHBondContact O-N 2.7Å; A44-L47 WeakPolarHBondContact O-CB 3.45Å; A44-L47 PolarHBondContact O-N 3.42Å; A44-Q48 WeakPolarHBondContact O-CG 3.47Å; A44-Q48 PolarHBondContact O-N 2.85Å
45	L	72.6	Confident	67	Low	84 Å²	84	95.5 Å²	95.5	44%	0.44	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-36.3	176.3	-73.3	169	0	0	0	112.5	R41 K42 L47 Q48 L49	R41-L45 HydrophobicContact CG-CD1 4.21Å; R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 WeakPolarHBondContact O-CG 3.46Å; R41-L45 PolarHBondContact O-N 3.48Å; K42-L45 PolarHBondContact O-N 2.73Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-Q48 PolarHBondContact O-N 3.02Å; L45-L49 WeakPolarHBondContact O-CB 3.16Å; L45-L49 PolarHBondContact O-N 3.44Å
46	L	65.8	Low	66.4	Low	91 Å²	91	95.1 Å²	95.1	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-65.5	-38.5	174.7	-76.3	171.2	0	0	0	111.8	K42 S43 L49 E50	K42-L46 HydrophobicContact CG-CD1 4.13Å; K42-L46 WeakPolarHBondContact O-CB 3.23Å; K42-L46 VanDerWaalsContact O-CG 3.32Å; K42-L46 WeakPolarHBondContact O-CG 3.41Å; K42-L46 PolarHBondContact O-N 3.03Å; S43-L46 PolarHBondContact O-N 3.42Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-E50 PolarHBondContact O-N 2.93Å
47	L	70.1	Confident	65.8	Low	71 Å²	71	95.3 Å²	95.3	37%	0.372	53%	0.531	S	S	.	.	H	α-helix	trans	-62	-45.6	172.1	-87	156.8	0	0	0	111.6	S43 A44 L45 L49 E50 E51	S43-L47 PolarHBondContact O-N 2.92Å; A44-L47 WeakPolarHBondContact O-CB 3.45Å; A44-L47 PolarHBondContact O-N 3.42Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.29Å; L47-E50 PolarHBondContact O-N 3.08Å; L47-E51 WeakPolarHBondContact O-CB 3.32Å; L47-E51 WeakPolarHBondContact O-CG 3.5Å; L47-E51 PolarHBondContact O-N 3.38Å
48	Q	74.2	Confident	64.5	Low	120 Å²	120	94.8 Å²	94.8	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-34.9	175.7	-72.5	-179.9	-20	0	0	112.7	A44 L45 A52	A44-Q48 WeakPolarHBondContact O-CG 3.47Å; A44-Q48 PolarHBondContact O-N 2.85Å; L45-Q48 PolarHBondContact O-N 3.02Å; Q48-A52 WeakPolarHBondContact O-CB 3.36Å; Q48-A52 PolarHBondContact O-N 3.28Å
49	L	69	Low	63.1	Low	106 Å²	106	94.4 Å²	94.4	56%	0.555	55%	0.547	S	S	*	.	H	α-helix	trans	-69.8	-39.1	173.4	-90	156.1	0	0	0	112.4	L45 L46 L47 C53	L45-L49 WeakPolarHBondContact O-CB 3.16Å; L45-L49 PolarHBondContact O-N 3.44Å; L46-L49 PolarHBondContact O-N 3.08Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.29Å; L49-C53 VanDerWaalsContact O-CB 3.31Å; L49-C53 WeakPolarHBondContact O-CB 3.37Å; L49-C53 PolarHBondContact O-N 3.06Å; L49-C53 PolarHBondContact O-SG 2.86Å
50	E	65.4	Low	62.1	Low	80 Å²	80	96.2 Å²	96.2	37%	0.374	56%	0.563	S	S	.	*	H	α-helix	trans	-63.7	-45.9	172.6	-81.9	-170.5	130.7	0	0	110.7	L46 L47 A52 C53 D54 R72	L46-E50 PolarHBondContact O-N 2.93Å; L47-E50 PolarHBondContact O-N 3.08Å; E50-A52 PolarHBondContact O-N 3.05Å; E50-C53 PolarHBondContact O-N 3.42Å; E50-D54 WeakPolarHBondContact O-CB 3.41Å; E50-D54 PolarHBondContact O-N 3.26Å; E50-R72 IonicContact OE1-CZ 3.43Å; E50-R72 IonicContact OE1-NH1 3.89Å; E50-R72 PolarHBondContact OE1-NH1 3.49Å; E50-R72 IonicContact OE1-NH2 2.81Å; E50-R72 PolarHBondContact OE1-NH2 3.05Å
51	E	72.4	Confident	60.5	Low	129 Å²	129	97.8 Å²	97.8	60%	0.603	57%	0.574	S	S	*	*	H	α-helix	trans	-62.3	-39.6	176.3	-71.9	173	175.1	0	0	112.3	L47 D54 A55	L47-E51 WeakPolarHBondContact O-CB 3.32Å; L47-E51 WeakPolarHBondContact O-CG 3.5Å; L47-E51 PolarHBondContact O-N 3.38Å; E51-D54 PolarHBondContact O-N 2.86Å; E51-A55 WeakPolarHBondContact O-CB 3.44Å; E51-A55 PolarHBondContact O-N 2.92Å
52	A	67.8	Low	58.9	Low	42 Å²	42	96.1 Å²	96.1	35%	0.347	58%	0.584	S	S	.	*	H	α-helix	trans	-69.7	-38.4	175.9	0	0	0	0	0	112.3	Q48 E50 A55 I56	Q48-A52 WeakPolarHBondContact O-CB 3.36Å; Q48-A52 PolarHBondContact O-N 3.28Å; E50-A52 PolarHBondContact O-N 3.05Å; A52-A55 PolarHBondContact O-N 3.36Å; A52-I56 WeakPolarHBondContact O-CB 3.47Å; A52-I56 WeakPolarHBondContact O-CD1 3.36Å; A52-I56 WeakPolarHBondContact O-CG1 3.33Å; A52-I56 PolarHBondContact O-N 2.9Å
53	C	56.7	Low	56.9	Low	86 Å²	86	95.9 Å²	95.9	58%	0.581	59%	0.594	S	S	*	*	H	α-helix	trans	-66.5	-37.6	174.3	-76.9	0	0	0	0	112.1	L49 E50 A55 I56	L49-C53 VanDerWaalsContact O-CB 3.31Å; L49-C53 WeakPolarHBondContact O-CB 3.37Å; L49-C53 PolarHBondContact O-N 3.06Å; L49-C53 PolarHBondContact O-SG 2.86Å; E50-C53 PolarHBondContact O-N 3.42Å; C53-A55 VanDerWaalsContact C-N 3.32Å; C53-I56 PolarHBondContact O-N 2.92Å
54	D	53.4	Low	55.7	Low	128 Å²	128	99 Å²	99	68%	0.684	62%	0.616	S	S	*	*	H	α-helix	trans	-70.9	-29.1	175.1	-73.6	-18.2	0	0	0	111.7	E50 E51	E50-D54 WeakPolarHBondContact O-CB 3.41Å; E50-D54 PolarHBondContact O-N 3.26Å; E51-D54 PolarHBondContact O-N 2.86Å
55	A	51.7	Low	53.8	Low	83 Å²	83	102.8 Å²	102.8	69%	0.686	63%	0.634	S	S	*	*	H	α-helix	trans	-76.9	-27.9	172.8	0	0	0	0	0	113.8	E51 A52 C53 G57	E51-A55 WeakPolarHBondContact O-CB 3.44Å; E51-A55 PolarHBondContact O-N 2.92Å; A52-A55 PolarHBondContact O-N 3.36Å; C53-A55 VanDerWaalsContact C-N 3.32Å; A55-G57 PolarHBondContact O-N 3.38Å
56	I	53.4	Low	52	Low	109 Å²	109	104.4 Å²	104.4	56%	0.559	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	31.6	179.5	-57.3	160.5	0	0	0	111	A52 C53 S58	A52-I56 WeakPolarHBondContact O-CB 3.47Å; A52-I56 WeakPolarHBondContact O-CD1 3.36Å; A52-I56 WeakPolarHBondContact O-CG1 3.33Å; A52-I56 PolarHBondContact O-N 2.9Å; C53-I56 PolarHBondContact O-N 2.92Å; I56-S58 PolarHBondContact O-N 3.42Å
57	G	47.8	Very low	50.7	Low	67 Å²	67	109.5 Å²	109.5	69%	0.691	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	52.6	168.3	0	0	0	0	0	114	A55	A55-G57 PolarHBondContact O-N 3.38Å
58	S	47.7	Very low	49.2	Very low	111 Å²	111	114.4 Å²	114.4	78%	0.776	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.6	67.9	155	67.4	0	0	0	0	112.8	I56	I56-S58 PolarHBondContact O-N 3.42Å
59	S	37.7	Very low	47.9	Very low	95 Å²	95	115 Å²	115	66%	0.664	69%	0.693	S	S	*	*			trans	-171.8	124.1	150.5	48.2	0	0	0	0	111.4
60	S	44.3	Very low	47.5	Very low	120 Å²	120	112.9 Å²	112.9	84%	0.839	68%	0.681	S	S	*	*			trans	-67	131.8	171.7	55.9	0	0	0	0	111.8
61	S	35.7	Very low	47.5	Very low	111 Å²	111	111.8 Å²	111.8	78%	0.776	68%	0.683	S	S	*	*			trans	-159	132.2	140.2	54.6	0	0	0	0	111
62	T	41.5	Very low	47.3	Very low	143 Å²	143	113.1 Å²	113.1	88%	0.877	68%	0.682	S	S	*	*			trans	-61.4	125.9	-179.3	40.5	0	0	0	0	113.9
63	T	31.2	Very low	47.1	Very low	130 Å²	130	118.4 Å²	118.4	80%	0.798	70%	0.699	S	S	*	*			trans	-140.6	123.1	151.8	-3.3	0	0	0	0	109.2	V65	T63-V65 PolarHBondContact O-N 3.3Å
64	S	38	Very low	47.9	Very low	125 Å²	125	116.7 Å²	116.7	87%	0.874	69%	0.686	S	S	*	*			trans	-65.8	110.2	-173.2	49.2	0	0	0	0	112.3
65	V	33.2	Very low	49	Very low	128 Å²	128	112.2 Å²	112.2	78%	0.776	66%	0.662	S	S	*	*			trans	-105.9	142.1	165.8	-175.4	0	0	0	0	107.9	T63 K67	T63-V65 PolarHBondContact O-N 3.3Å; V65-K67 PolarHBondContact O-N 2.93Å
66	P	35.2	Very low	50.3	Low	118 Å²	118	113.4 Å²	113.4	77%	0.766	65%	0.654	S	S	*	*			trans	-61.8	133.2	-173.2	-18.6	30.6	0	0	0	112.9
67	K	39.1	Very low	51.7	Low	197 Å²	197	111.4 Å²	111.4	86%	0.857	65%	0.649	S	S	*	*	S	Bend	trans	-43.5	133	159.1	-84.9	171.3	166.8	173.6	0	108.7	V65	V65-K67 PolarHBondContact O-N 2.93Å
68	W	37.7	Very low	53.6	Low	175 Å²	175	109.8 Å²	109.8	66%	0.663	62%	0.622	S	S	*	*			cis	-167.6	86.8	41.3	-173.6	-59.5	0	0	0	107.3	Q283	W68-Q283 PolarHBondContact O-OE1 3.45Å
69	T	46.3	Very low	55.4	Low	133 Å²	133	107.6 Å²	107.6	82%	0.816	60%	0.602	S	S	*	*	S	Bend	trans	-116.5	119.8	160.6	-50.3	0	0	0	0	104.7	S71	T69-S71 PolarHBondContact O-N 3.02Å
70	M	61.7	Low	57.7	Low	60 Å²	60	104.2 Å²	104.2	30%	0.296	58%	0.583	S	S	.	*			trans	-50.9	119.5	-179.7	-72.9	-102.2	98.7	0	0	108.5	V74 L75 V285	M70-V74 HydrophobicContact CE-CB 4.5Å; M70-V74 HydrophobicContact CE-CG1 3.68Å; M70-V74 HydrophobicContact SD-CB 4.36Å; M70-V74 HydrophobicContact SD-CG1 3.44Å; M70-V74 WeakPolarHBondContact SD-CG1 3.26Å; M70-L75 HydrophobicContact CB-CD2 4.41Å; M70-L75 HydrophobicContact CB-CG 4.23Å; M70-V285 HydrophobicContact CG-CG2 4.33Å
71	S	65.4	Low	59.6	Low	58 Å²	58	102.5 Å²	102.5	41%	0.406	57%	0.57	S	S	.	*			trans	-64.6	154.4	-178.5	67.9	0	0	0	0	110.1	T69 Q73 V74 L75	T69-S71 PolarHBondContact O-N 3.02Å; S71-Q73 PolarHBondContact O-N 3.36Å; S71-Q73 VanDerWaalsContact O-N 3.11Å; S71-V74 PolarHBondContact O-N 3.21Å; S71-V74 WeakPolarHBondContact OG-CG2 3.33Å; S71-V74 PolarHBondContact OG-N 3.4Å; S71-L75 PolarHBondContact O-N 3.26Å
72	R	67.1	Low	62.1	Low	156 Å²	156	104.5 Å²	104.5	59%	0.589	57%	0.572	S	S	*	*	H	α-helix	trans	-53.1	-34.8	179.2	-172.8	-178.7	-96.8	160.3	1.9	111.9	E50 L75 Q76	E50-R72 IonicContact OE1-CZ 3.43Å; E50-R72 IonicContact OE1-NH1 3.89Å; E50-R72 PolarHBondContact OE1-NH1 3.49Å; E50-R72 IonicContact OE1-NH2 2.81Å; E50-R72 PolarHBondContact OE1-NH2 3.05Å; R72-L75 PolarHBondContact O-N 2.76Å; R72-Q76 WeakPolarHBondContact O-CG 3.34Å; R72-Q76 PolarHBondContact O-N 3.33Å
73	Q	63.5	Low	64.5	Low	153 Å²	153	100 Å²	100	72%	0.715	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-41.9	175.6	-68.2	174.3	-15.1	0	0	112.7	S71 L75 Q76 S77	S71-Q73 PolarHBondContact O-N 3.36Å; S71-Q73 VanDerWaalsContact O-N 3.11Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-Q76 PolarHBondContact O-N 2.85Å; Q73-S77 PolarHBondContact O-N 3.46Å
74	V	73.3	Confident	67.5	Low	51 Å²	51	99.8 Å²	99.8	31%	0.309	54%	0.541	S	S	.	.	H	α-helix	trans	-67	-38.5	175.8	178	0	0	0	0	110.5	M70 S71 Q76 S77 Y78	M70-V74 HydrophobicContact CE-CB 4.5Å; M70-V74 HydrophobicContact CE-CG1 3.68Å; M70-V74 HydrophobicContact SD-CB 4.36Å; M70-V74 HydrophobicContact SD-CG1 3.44Å; M70-V74 WeakPolarHBondContact SD-CG1 3.26Å; S71-V74 PolarHBondContact O-N 3.21Å; S71-V74 WeakPolarHBondContact OG-CG2 3.33Å; S71-V74 PolarHBondContact OG-N 3.4Å; V74-Q76 VanDerWaalsContact C-N 3.32Å; V74-Q76 PolarHBondContact O-N 3.17Å; V74-S77 WeakPolarHBondContact O-CB 3.39Å; V74-S77 PolarHBondContact O-N 3.25Å; V74-S77 VanDerWaalsContact O-N 3.16Å; V74-S77 PolarHBondContact O-OG 2.86Å; V74-Y78 HydrophobicContact CG1-CE2 4.12Å; V74-Y78 VanDerWaalsContact O-CD2 3.25Å; V74-Y78 WeakPolarHBondContact O-CD2 3.43Å
75	L	77.3	Confident	70.2	Confident	33 Å²	33	96.2 Å²	96.2	17%	0.173	51%	0.509	C	S	.	.	H	α-helix	trans	-63.1	-36.5	174.8	-72.8	167.6	0	0	0	113.2	M70 S71 R72 Q73 S77 Y78 L112 V285	M70-L75 HydrophobicContact CB-CD2 4.41Å; M70-L75 HydrophobicContact CB-CG 4.23Å; S71-L75 PolarHBondContact O-N 3.26Å; R72-L75 PolarHBondContact O-N 2.76Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; L75-S77 VanDerWaalsContact C-N 3.29Å; L75-S77 PolarHBondContact O-N 3.47Å; L75-Y78 PolarHBondContact O-N 3.06Å; L75-L112 HydrophobicContact CD2-CD1 4.33Å; L75-V285 HydrophobicContact CD2-CG1 3.49Å; L75-V285 VanDerWaalsContact CD2-CG1 3.49Å
76	Q	79.5	Confident	73	Confident	109 Å²	109	90.8 Å²	90.8	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-29.6	175.1	-76	170.5	-14.3	0	0	112.5	R72 Q73 V74 Y78 D79	R72-Q76 WeakPolarHBondContact O-CG 3.34Å; R72-Q76 PolarHBondContact O-N 3.33Å; Q73-Q76 PolarHBondContact O-N 2.85Å; V74-Q76 VanDerWaalsContact C-N 3.32Å; V74-Q76 PolarHBondContact O-N 3.17Å; Q76-Y78 PolarHBondContact O-N 3.42Å; Q76-D79 WeakPolarHBondContact O-CB 3.41Å; Q76-D79 PolarHBondContact O-N 3.45Å
77	S	83.3	Confident	75.7	Confident	66 Å²	66	93.9 Å²	93.9	46%	0.462	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-26.6	175.4	77.4	0	0	0	0	113.1	Q73 V74 L75 D79 G80	Q73-S77 PolarHBondContact O-N 3.46Å; V74-S77 WeakPolarHBondContact O-CB 3.39Å; V74-S77 PolarHBondContact O-N 3.25Å; V74-S77 VanDerWaalsContact O-N 3.16Å; V74-S77 PolarHBondContact O-OG 2.86Å; L75-S77 VanDerWaalsContact C-N 3.29Å; L75-S77 PolarHBondContact O-N 3.47Å; S77-D79 PolarHBondContact O-N 3.34Å; S77-G80 PolarHBondContact O-N 3.39Å
78	Y	86.1	Confident	78.3	Confident	33 Å²	33	88.7 Å²	88.7	13%	0.129	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.2	176	-71.2	-84	0	0	0	113.8	V74 L75 Q76 G80 F83 R108 N111 L112 A115	V74-Y78 HydrophobicContact CG1-CE2 4.12Å; V74-Y78 VanDerWaalsContact O-CD2 3.25Å; V74-Y78 WeakPolarHBondContact O-CD2 3.43Å; L75-Y78 PolarHBondContact O-N 3.06Å; Q76-Y78 PolarHBondContact O-N 3.42Å; Y78-G80 VanDerWaalsContact C-N 3.27Å; Y78-F83 HydrophobicContact CD1-CE1 4.3Å; Y78-F83 AromaticContact CD1-CZ 3.8Å; Y78-F83 HydrophobicContact CD1-CZ 3.8Å; Y78-F83 HydrophobicContact CE1-CE1 4.25Å; Y78-F83 HydrophobicContact CE1-CZ 4.2Å; Y78-F83 HydrophobicContact CG-CZ 4.41Å; Y78-R108 WeakPolarHBondContact O-CA 3.29Å; Y78-N111 HydrophobicContact CD1-CB 3.92Å; Y78-N111 PolarHBondContact O-ND2 3.39Å; Y78-L112 HydrophobicContact CD1-CD2 3.87Å; Y78-L112 HydrophobicContact CD1-CG 3.89Å; Y78-L112 HydrophobicContact CD2-CD2 3.65Å; Y78-L112 HydrophobicContact CD2-CG 4.17Å; Y78-L112 HydrophobicContact CE1-CD2 3.86Å; Y78-L112 HydrophobicContact CE1-CG 4.3Å; Y78-L112 HydrophobicContact CE2-CD2 3.63Å; Y78-L112 HydrophobicContact CG-CD2 3.78Å; Y78-L112 HydrophobicContact CG-CG 3.82Å; Y78-A115 HydrophobicContact CE1-CB 4.09Å
79	D	85.4	Confident	80.9	Confident	65 Å²	65	80.5 Å²	80.5	35%	0.348	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.4	170.2	-63.6	-40.4	0	0	0	112.7	Q76 S77 L107 R108	Q76-D79 WeakPolarHBondContact O-CB 3.41Å; Q76-D79 PolarHBondContact O-N 3.45Å; S77-D79 PolarHBondContact O-N 3.34Å; D79-L107 VanDerWaalsContact O-CD2 3.29Å; D79-L107 WeakPolarHBondContact O-CD2 3.46Å; D79-R108 WeakPolarHBondContact OD1-CB 3.43Å; D79-R108 IonicContact OD1-CZ 2.72Å; D79-R108 IonicContact OD1-NE 2.63Å; D79-R108 PolarHBondContact OD1-NE 2.91Å; D79-R108 IonicContact OD1-NH2 3.04Å; D79-R108 PolarHBondContact OD1-NH2 3.36Å; D79-R108 IonicContact OD2-CZ 2.93Å; D79-R108 IonicContact OD2-NE 2.74Å; D79-R108 PolarHBondContact OD2-NE 3.35Å; D79-R108 IonicContact OD2-NH2 3.05Å; D79-R108 PolarHBondContact OD2-NH2 2.91Å
80	G	85.9	Confident	83.1	Confident	25 Å²	25	78.8 Å²	78.8	26%	0.258	41%	0.409	S	S	.	.	S	Bend	trans	-78.2	173.2	179.9	0	0	0	0	0	114.5	S77 Y78 N111	S77-G80 PolarHBondContact O-N 3.39Å; Y78-G80 VanDerWaalsContact C-N 3.27Å; G80-N111 PolarHBondContact O-ND2 3.05Å
81	S	84.9	Confident	84.5	Confident	83 Å²	83	81.4 Å²	81.4	58%	0.58	42%	0.42	S	S	*	.	S	Bend	trans	-115	22.2	178.1	53.9	0	0	0	0	112.8	F83 S86	S81-F83 VanDerWaalsContact C-N 3.34Å; S81-F83 PolarHBondContact O-N 2.92Å; S81-S86 VanDerWaalsContact C-OG 3.22Å; S81-S86 WeakPolarHBondContact O-CB 3.47Å; S81-S86 PolarHBondContact O-OG 3.5Å; S81-S86 VanDerWaalsContact O-OG 3.05Å
82	D	88.8	Confident	85.8	Confident	153 Å²	153	80.4 Å²	80.4	82%	0.818	41%	0.409	S	S	*	.			trans	-98.3	30.2	-171.7	-56.5	-33.7	0	0	0	112.7
83	F	92.5	Very high	87	Confident	50 Å²	50	73.2 Å²	73.2	22%	0.219	38%	0.382	C	S	.	.	S	Bend	trans	-102.4	155.2	179.9	-60.1	-81.9	0	0	0	111.6	Y78 S81 W85 S86 N111	Y78-F83 HydrophobicContact CD1-CE1 4.3Å; Y78-F83 AromaticContact CD1-CZ 3.8Å; Y78-F83 HydrophobicContact CD1-CZ 3.8Å; Y78-F83 HydrophobicContact CE1-CE1 4.25Å; Y78-F83 HydrophobicContact CE1-CZ 4.2Å; Y78-F83 HydrophobicContact CG-CZ 4.41Å; S81-F83 VanDerWaalsContact C-N 3.34Å; S81-F83 PolarHBondContact O-N 2.92Å; F83-W85 HydrophobicContact CB-CD2 3.84Å; F83-W85 HydrophobicContact CB-CE3 4.44Å; F83-W85 HydrophobicContact CB-CG 4.22Å; F83-W85 HydrophobicContact CB-CH2 4.29Å; F83-W85 HydrophobicContact CB-CZ2 3.65Å; F83-W85 AromaticContact CD1-CH2 3.9Å; F83-W85 HydrophobicContact CD1-CH2 3.9Å; F83-W85 AromaticContact CD1-CZ2 3.48Å; F83-W85 HydrophobicContact CD1-CZ2 3.48Å; F83-W85 VanDerWaalsContact CD1-CZ2 3.48Å; F83-W85 HydrophobicContact CD2-CZ2 4.44Å; F83-W85 HydrophobicContact CE1-CZ2 4.25Å; F83-W85 AromaticContact CG-CE2 3.77Å; F83-W85 HydrophobicContact CG-CH2 4.35Å; F83-W85 AromaticContact CG-CZ2 3.6Å; F83-W85 HydrophobicContact CG-CZ2 3.6Å; F83-W85 AromaticContact CG-NE1 3.87Å; F83-W85 PolarHBondContact O-N 2.92Å; F83-W85 VanDerWaalsContact O-N 3.1Å; F83-S86 WeakPolarHBondContact CB-OG 3.35Å; F83-S86 PolarHBondContact N-OG 3.41Å; F83-S86 VanDerWaalsContact N-OG 3.12Å; F83-S86 WeakPolarHBondContact O-CB 3.24Å; F83-S86 PolarHBondContact O-N 3.36Å; F83-S86 PolarHBondContact O-OG 2.84Å; F83-N111 HydrophobicContact CD2-CB 4.29Å; F83-N111 HydrophobicContact CE2-CB 4.03Å; F83-N111 WeakPolarHBondContact CE2-ND2 3.47Å
84	P	92.9	Very high	88.4	Confident	124 Å²	124	71.1 Å²	71.1	81%	0.805	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.1	178.5	-26.1	34.9	0	0	0	113.8
85	W	94.3	Very high	89.2	Confident	50 Å²	50	72 Å²	72	19%	0.189	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.2	179.4	52.3	78.7	0	0	0	114.2	F83 K87 E88 V89 N111 M114 A115	F83-W85 HydrophobicContact CB-CD2 3.84Å; F83-W85 HydrophobicContact CB-CE3 4.44Å; F83-W85 HydrophobicContact CB-CG 4.22Å; F83-W85 HydrophobicContact CB-CH2 4.29Å; F83-W85 HydrophobicContact CB-CZ2 3.65Å; F83-W85 AromaticContact CD1-CH2 3.9Å; F83-W85 HydrophobicContact CD1-CH2 3.9Å; F83-W85 AromaticContact CD1-CZ2 3.48Å; F83-W85 HydrophobicContact CD1-CZ2 3.48Å; F83-W85 VanDerWaalsContact CD1-CZ2 3.48Å; F83-W85 HydrophobicContact CD2-CZ2 4.44Å; F83-W85 HydrophobicContact CE1-CZ2 4.25Å; F83-W85 AromaticContact CG-CE2 3.77Å; F83-W85 HydrophobicContact CG-CH2 4.35Å; F83-W85 AromaticContact CG-CZ2 3.6Å; F83-W85 HydrophobicContact CG-CZ2 3.6Å; F83-W85 AromaticContact CG-NE1 3.87Å; F83-W85 PolarHBondContact O-N 2.92Å; F83-W85 VanDerWaalsContact O-N 3.1Å; W85-K87 VanDerWaalsContact C-N 3.32Å; W85-K87 PolarHBondContact O-N 2.81Å; W85-E88 PolarHBondContact O-N 3.25Å; W85-E88 VanDerWaalsContact O-N 3.11Å; W85-V89 HydrophobicContact CB-CG2 4.37Å; W85-V89 WeakPolarHBondContact O-CB 3.33Å; W85-V89 WeakPolarHBondContact O-CG2 3.25Å; W85-V89 PolarHBondContact O-N 3.39Å; W85-N111 PolarHBondContact NE1-OD1 3.11Å; W85-M114 HydrophobicContact CB-CE 3.7Å; W85-M114 HydrophobicContact CD2-CB 3.81Å; W85-M114 HydrophobicContact CE3-CB 4.45Å; W85-M114 HydrophobicContact CG-CB 4.04Å; W85-M114 HydrophobicContact CG-CE 3.94Å; W85-M114 HydrophobicContact CG-CG 4.33Å; W85-M114 HydrophobicContact CZ2-CB 4.03Å; W85-A115 HydrophobicContact CH2-CB 3.86Å; W85-A115 HydrophobicContact CZ2-CB 4.12Å
86	S	92.9	Very high	89.7	Confident	14 Å²	14	71.7 Å²	71.7	10%	0.098	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-38.2	-170.1	-66.1	0	0	0	0	113.4	S81 F83 E90	S81-S86 VanDerWaalsContact C-OG 3.22Å; S81-S86 WeakPolarHBondContact O-CB 3.47Å; S81-S86 PolarHBondContact O-OG 3.5Å; S81-S86 VanDerWaalsContact O-OG 3.05Å; F83-S86 WeakPolarHBondContact CB-OG 3.35Å; F83-S86 PolarHBondContact N-OG 3.41Å; F83-S86 VanDerWaalsContact N-OG 3.12Å; F83-S86 WeakPolarHBondContact O-CB 3.24Å; F83-S86 PolarHBondContact O-N 3.36Å; F83-S86 PolarHBondContact O-OG 2.84Å; S86-E90 WeakPolarHBondContact O-CB 3.41Å; S86-E90 PolarHBondContact O-N 3.35Å
87	K	92	Very high	90.1	Very high	184 Å²	184	67.6 Å²	67.6	80%	0.8	36%	0.36	S	S	*	.	H	α-helix	trans	-64.9	-41.4	176.4	-67.9	-175.9	179.2	179	0	112.6	W85 H91	W85-K87 VanDerWaalsContact C-N 3.32Å; W85-K87 PolarHBondContact O-N 2.81Å; K87-H91 VanDerWaalsContact O-CB 3.32Å; K87-H91 WeakPolarHBondContact O-CB 3.46Å; K87-H91 PolarHBondContact O-N 2.81Å
88	E	92.7	Very high	90.3	Very high	88 Å²	88	67.4 Å²	67.4	41%	0.411	37%	0.369	S	S	.	.	H	α-helix	trans	-70.1	-42.2	179.1	-176.7	175.1	-168.3	0	0	111.1	W85 H91 H92 C139	W85-E88 PolarHBondContact O-N 3.25Å; W85-E88 VanDerWaalsContact O-N 3.11Å; E88-H91 WeakPolarHBondContact O-CB 3.22Å; E88-H91 PolarHBondContact O-N 3.02Å; E88-H92 PolarHBondContact O-CD2 2.72Å; E88-H92 PolarHBondContact O-N 3.37Å; E88-C139 HydrophobicContact CG-CB 4.35Å
89	V	93.6	Very high	90.4	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.012	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-47.6	174.6	166.8	0	0	0	0	111.1	W85 L93 F102 V110 L135	W85-V89 HydrophobicContact CB-CG2 4.37Å; W85-V89 WeakPolarHBondContact O-CB 3.33Å; W85-V89 WeakPolarHBondContact O-CG2 3.25Å; W85-V89 PolarHBondContact O-N 3.39Å; V89-L93 VanDerWaalsContact O-CB 3.31Å; V89-L93 WeakPolarHBondContact O-CB 3.27Å; V89-L93 PolarHBondContact O-N 3.42Å; V89-F102 HydrophobicContact CG1-CE2 4.32Å; V89-F102 HydrophobicContact CG1-CZ 3.77Å; V89-V110 HydrophobicContact CG1-CG1 3.95Å; V89-V110 HydrophobicContact CG2-CG1 4.24Å; V89-L135 HydrophobicContact CG1-CD2 3.73Å; V89-L135 HydrophobicContact CG1-CG 4.39Å
90	E	91.8	Very high	90.4	Very high	98 Å²	98	71 Å²	71	46%	0.458	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-38.3	177.9	-169.8	-177.8	178.5	0	0	112	S86 L93 K94	S86-E90 WeakPolarHBondContact O-CB 3.41Å; S86-E90 PolarHBondContact O-N 3.35Å; E90-L93 PolarHBondContact O-N 3.46Å; E90-K94 PolarHBondContact O-N 2.92Å; E90-K94 WeakPolarHBondContact OE1-CE 3.33Å; E90-K94 IonicContact OE1-NZ 2.65Å; E90-K94 PolarHBondContact OE1-NZ 3.14Å
91	H	92.3	Very high	90.5	Very high	115 Å²	115	77.8 Å²	77.8	53%	0.532	42%	0.42	S	S	.	.	H	α-helix	trans	-59	-54.2	175.2	178.5	76.8	0	0	0	111	K87 E88 L93 K94 S95	K87-H91 VanDerWaalsContact O-CB 3.32Å; K87-H91 WeakPolarHBondContact O-CB 3.46Å; K87-H91 PolarHBondContact O-N 2.81Å; E88-H91 WeakPolarHBondContact O-CB 3.22Å; E88-H91 PolarHBondContact O-N 3.02Å; H91-L93 VanDerWaalsContact C-N 3.33Å; H91-L93 PolarHBondContact O-N 3.41Å; H91-K94 PolarHBondContact O-N 3.4Å; H91-S95 PolarHBondContact NE2-OG 3.17Å; H91-S95 WeakPolarHBondContact O-CB 3.36Å; H91-S95 PolarHBondContact O-N 3.18Å; H91-S95 PolarHBondContact O-OG 2.76Å
92	H	92	Very high	90.7	Very high	37 Å²	37	76.3 Å²	76.3	17%	0.171	40%	0.403	C	S	.	.	H	α-helix	trans	-67.2	-31.5	-179.5	-79.9	-63.6	0	0	0	113.5	E88 K94 S96 F97 L135	E88-H92 PolarHBondContact O-CD2 2.72Å; E88-H92 PolarHBondContact O-N 3.37Å; H92-K94 VanDerWaalsContact C-N 3.3Å; H92-K94 PolarHBondContact O-N 3.18Å; H92-S96 PolarHBondContact ND1-OG 3.32Å; H92-S96 WeakPolarHBondContact O-CA 3.46Å; H92-S96 VanDerWaalsContact O-CB 3.29Å; H92-S96 WeakPolarHBondContact O-CB 3.5Å; H92-S96 PolarHBondContact O-N 3.06Å; H92-F97 PolarHBondContact O-N 2.9Å; H92-F97 VanDerWaalsContact O-N 3.15Å; H92-L135 HydrophobicContact CB-CD1 3.62Å
93	L	92.8	Very high	90.7	Very high	4 Å²	4	74.1 Å²	74.1	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-46	172.8	-175.9	73	0	0	0	111.1	V89 E90 H91 F97 G98 L99 F102 L131 L135	V89-L93 VanDerWaalsContact O-CB 3.31Å; V89-L93 WeakPolarHBondContact O-CB 3.27Å; V89-L93 PolarHBondContact O-N 3.42Å; E90-L93 PolarHBondContact O-N 3.46Å; H91-L93 VanDerWaalsContact C-N 3.33Å; H91-L93 PolarHBondContact O-N 3.41Å; L93-F97 CarbonylContact O-C 3.52Å; L93-G98 PolarHBondContact O-N 2.88Å; L93-L99 CarbonylContact C-O 3.57Å; L93-L99 HydrophobicContact CD1-CB 3.8Å; L93-L99 HydrophobicContact CD1-CD1 4.1Å; L93-L99 HydrophobicContact CG-CB 3.99Å; L93-L99 PolarHBondContact O-N 3.39Å; L93-F102 HydrophobicContact CD1-CD1 4.3Å; L93-F102 HydrophobicContact CD1-CE1 3.8Å; L93-F102 HydrophobicContact CD1-CZ 4.01Å; L93-F102 HydrophobicContact CD2-CD1 4.46Å; L93-F102 HydrophobicContact CD2-CD2 3.93Å; L93-F102 HydrophobicContact CD2-CE1 4.18Å; L93-F102 HydrophobicContact CD2-CE2 3.61Å; L93-F102 HydrophobicContact CD2-CG 4.35Å; L93-F102 HydrophobicContact CD2-CZ 3.75Å; L93-F102 HydrophobicContact CG-CZ 4.31Å; L93-L131 HydrophobicContact CD1-CD1 4.37Å; L93-L131 HydrophobicContact CD1-CD2 3.92Å; L93-L135 HydrophobicContact CB-CD2 4.38Å; L93-L135 HydrophobicContact CD1-CD2 4.19Å
94	K	91.9	Very high	90.4	Very high	110 Å²	110	76.9 Å²	76.9	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-79.7	-46.9	-179	-67.3	177.7	-171.8	168.9	0	112.6	E90 H91 H92 G98	E90-K94 PolarHBondContact O-N 2.92Å; E90-K94 WeakPolarHBondContact OE1-CE 3.33Å; E90-K94 IonicContact OE1-NZ 2.65Å; E90-K94 PolarHBondContact OE1-NZ 3.14Å; H91-K94 PolarHBondContact O-N 3.4Å; H92-K94 VanDerWaalsContact C-N 3.3Å; H92-K94 PolarHBondContact O-N 3.18Å; K94-G98 WeakPolarHBondContact O-CA 3.23Å; K94-G98 PolarHBondContact O-N 3.15Å
95	S	90.1	Very high	90.2	Very high	68 Å²	68	72.7 Å²	72.7	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-81	-44.3	-171.2	68.3	0	0	0	0	113.1	H91	H91-S95 PolarHBondContact NE2-OG 3.17Å; H91-S95 WeakPolarHBondContact O-CB 3.36Å; H91-S95 PolarHBondContact O-N 3.18Å; H91-S95 PolarHBondContact O-OG 2.76Å
96	S	88.4	Confident	90.1	Very high	28 Å²	28	70.6 Å²	70.6	20%	0.196	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-46.3	-176.6	-48.6	0	0	0	0	111.6	H92 V164	H92-S96 PolarHBondContact ND1-OG 3.32Å; H92-S96 WeakPolarHBondContact O-CA 3.46Å; H92-S96 VanDerWaalsContact O-CB 3.29Å; H92-S96 WeakPolarHBondContact O-CB 3.5Å; H92-S96 PolarHBondContact O-N 3.06Å; S96-V164 WeakPolarHBondContact O-CB 3.38Å
97	F	88.4	Confident	90.1	Very high	23 Å²	23	71.8 Å²	71.8	10%	0.101	37%	0.374	C	S	.	.	S	Bend	trans	-96	-8.5	-175.7	-65.9	-84.5	0	0	0	114.3	H92 L93 L99 L131 Q134 L135 V138 L161 I166	H92-F97 PolarHBondContact O-N 2.9Å; H92-F97 VanDerWaalsContact O-N 3.15Å; L93-F97 CarbonylContact O-C 3.52Å; F97-L99 HydrophobicContact CB-CD1 4.33Å; F97-L99 HydrophobicContact CB-CG 4.33Å; F97-L99 PolarHBondContact O-N 2.82Å; F97-L131 HydrophobicContact CB-CD1 4.29Å; F97-L131 HydrophobicContact CD1-CD1 3.88Å; F97-L131 HydrophobicContact CD2-CD1 4.11Å; F97-L131 HydrophobicContact CE1-CD1 4.21Å; F97-L131 HydrophobicContact CE2-CD1 4.44Å; F97-L131 HydrophobicContact CG-CD1 3.82Å; F97-L131 HydrophobicContact CZ-CD1 4.48Å; F97-Q134 HydrophobicContact CE1-CB 4.11Å; F97-Q134 HydrophobicContact CZ-CB 3.87Å; F97-L135 HydrophobicContact CD2-CD1 3.87Å; F97-L135 HydrophobicContact CE2-CB 4.26Å; F97-L135 HydrophobicContact CE2-CD1 3.76Å; F97-V138 HydrophobicContact CE2-CG2 4.37Å; F97-V138 HydrophobicContact CZ-CG2 4.42Å; F97-L161 HydrophobicContact CE1-CD2 4.46Å; F97-I166 HydrophobicContact CE1-CD1 3.83Å; F97-I166 HydrophobicContact CE2-CD1 3.88Å; F97-I166 HydrophobicContact CZ-CD1 3.39Å
98	G	86.9	Confident	90.2	Very high	62 Å²	62	65.4 Å²	65.4	64%	0.639	35%	0.345	S	S	*	.			trans	66.2	19.4	178.3	0	0	0	0	0	114.4	L93 K94	L93-G98 PolarHBondContact O-N 2.88Å; K94-G98 WeakPolarHBondContact O-CA 3.23Å; K94-G98 PolarHBondContact O-N 3.15Å
99	L	87	Confident	90.2	Very high	74 Å²	74	61.2 Å²	61.2	39%	0.387	33%	0.325	S	S	.	.			trans	-100.1	137.1	-176.6	-64.6	175.9	0	0	0	110.9	L93 F97 L131	L93-L99 CarbonylContact C-O 3.57Å; L93-L99 HydrophobicContact CD1-CB 3.8Å; L93-L99 HydrophobicContact CD1-CD1 4.1Å; L93-L99 HydrophobicContact CG-CB 3.99Å; L93-L99 PolarHBondContact O-N 3.39Å; F97-L99 HydrophobicContact CB-CD1 4.33Å; F97-L99 HydrophobicContact CB-CG 4.33Å; F97-L99 PolarHBondContact O-N 2.82Å; L99-L131 HydrophobicContact CD1-CD1 4.15Å; L99-L131 HydrophobicContact CD1-CD2 3.62Å
100	S	85.9	Confident	90.3	Very high	99 Å²	99	61.1 Å²	61.1	69%	0.692	33%	0.325	S	S	*	.	S	Bend	trans	-89.2	-29.7	-178.7	59	0	0	0	0	113.6
101	K	88.8	Confident	90.4	Very high	168 Å²	168	56.4 Å²	56.4	73%	0.73	30%	0.303	S	S	*	.	S	Bend	trans	-145.9	151	-175.1	-63.3	-174.4	-178.7	-178.1	0	111.5
102	F	88.8	Confident	90.5	Very high	52 Å²	52	51 Å²	51	23%	0.228	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-75.4	144.2	168.4	-71.5	-74.3	0	0	0	111.3	V89 L93 Q106 L107 V110 L131 L135	V89-F102 HydrophobicContact CG1-CE2 4.32Å; V89-F102 HydrophobicContact CG1-CZ 3.77Å; L93-F102 HydrophobicContact CD1-CD1 4.3Å; L93-F102 HydrophobicContact CD1-CE1 3.8Å; L93-F102 HydrophobicContact CD1-CZ 4.01Å; L93-F102 HydrophobicContact CD2-CD1 4.46Å; L93-F102 HydrophobicContact CD2-CD2 3.93Å; L93-F102 HydrophobicContact CD2-CE1 4.18Å; L93-F102 HydrophobicContact CD2-CE2 3.61Å; L93-F102 HydrophobicContact CD2-CG 4.35Å; L93-F102 HydrophobicContact CD2-CZ 3.75Å; L93-F102 HydrophobicContact CG-CZ 4.31Å; F102-Q106 HydrophobicContact CB-CB 4.27Å; F102-Q106 HydrophobicContact CD1-CB 3.82Å; F102-Q106 HydrophobicContact CG-CB 4.47Å; F102-L107 HydrophobicContact CB-CB 4.21Å; F102-L107 HydrophobicContact CD2-CB 3.94Å; F102-L107 HydrophobicContact CD2-CD1 4.04Å; F102-L107 HydrophobicContact CD2-CD2 4.43Å; F102-L107 HydrophobicContact CD2-CG 4.36Å; F102-L107 HydrophobicContact CE2-CB 4.45Å; F102-L107 HydrophobicContact CE2-CD1 3.76Å; F102-L107 HydrophobicContact CG-CB 3.97Å; F102-L107 HydrophobicContact CZ-CD1 4.26Å; F102-V110 HydrophobicContact CE1-CG2 4.43Å; F102-L131 HydrophobicContact CD1-CD2 4.42Å; F102-L131 HydrophobicContact CE1-CD2 4.42Å; F102-L135 HydrophobicContact CE1-CD2 3.7Å; F102-L135 HydrophobicContact CZ-CD2 3.64Å
103	R	87.8	Confident	90.5	Very high	107 Å²	107	49.2 Å²	49.2	40%	0.404	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-75.1	161.8	164	-64	178.5	172.3	-175.5	-5.9	109.8	L105 Q106 G126 R127	R103-L105 PolarHBondContact O-N 2.8Å; R103-Q106 HydrophobicContact CB-CG 4.08Å; R103-Q106 WeakPolarHBondContact O-CB 3.35Å; R103-Q106 PolarHBondContact O-N 3.25Å; R103-Q106 VanDerWaalsContact O-N 3.17Å; R103-G126 PolarHBondContact NH1-O 2.95Å; R103-R127 WeakPolarHBondContact CD-O 3.34Å
104	P	86.3	Confident	90.6	Very high	107 Å²	107	50.6 Å²	50.6	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	138.2	178.6	-28.9	36	0	0	0	112.3	Q106	P104-Q106 PolarHBondContact O-N 2.67Å
105	L	88.9	Confident	90.6	Very high	37 Å²	37	47.4 Å²	47.4	19%	0.194	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-11.5	179.7	-53.3	172	0	0	0	116.9	R103 R108 A109 I287 A289	R103-L105 PolarHBondContact O-N 2.8Å; L105-R108 PolarHBondContact O-N 3.45Å; L105-A109 WeakPolarHBondContact O-CB 3.35Å; L105-A109 PolarHBondContact O-N 3.15Å; L105-I287 HydrophobicContact CB-CG2 4.09Å; L105-I287 HydrophobicContact CD1-CG2 4.03Å; L105-I287 HydrophobicContact CD2-CG2 4.17Å; L105-I287 HydrophobicContact CG-CG2 4.32Å; L105-A289 HydrophobicContact CD1-CB 3.71Å
106	Q	92.1	Very high	90.7	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.028	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-47.7	178.4	-69.8	-173.5	-42.3	0	0	111.9	F102 R103 P104 R108 A109 V110 R127 G128	F102-Q106 HydrophobicContact CB-CB 4.27Å; F102-Q106 HydrophobicContact CD1-CB 3.82Å; F102-Q106 HydrophobicContact CG-CB 4.47Å; R103-Q106 HydrophobicContact CB-CG 4.08Å; R103-Q106 WeakPolarHBondContact O-CB 3.35Å; R103-Q106 PolarHBondContact O-N 3.25Å; R103-Q106 VanDerWaalsContact O-N 3.17Å; P104-Q106 PolarHBondContact O-N 2.67Å; Q106-R108 VanDerWaalsContact C-N 3.32Å; Q106-R108 PolarHBondContact O-N 2.82Å; Q106-A109 PolarHBondContact O-N 3.14Å; Q106-V110 WeakPolarHBondContact O-CG2 3.33Å; Q106-V110 PolarHBondContact O-N 3.44Å; Q106-R127 PolarHBondContact NE2-O 3.47Å; Q106-G128 PolarHBondContact NE2-O 3.37Å
107	L	93.3	Very high	90.9	Very high	38 Å²	38	47.2 Å²	47.2	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-43.9	178.9	178.8	57	0	0	0	111.4	D79 F102 A109 V110 N111	D79-L107 VanDerWaalsContact O-CD2 3.29Å; D79-L107 WeakPolarHBondContact O-CD2 3.46Å; F102-L107 HydrophobicContact CB-CB 4.21Å; F102-L107 HydrophobicContact CD2-CB 3.94Å; F102-L107 HydrophobicContact CD2-CD1 4.04Å; F102-L107 HydrophobicContact CD2-CD2 4.43Å; F102-L107 HydrophobicContact CD2-CG 4.36Å; F102-L107 HydrophobicContact CE2-CB 4.45Å; F102-L107 HydrophobicContact CE2-CD1 3.76Å; F102-L107 HydrophobicContact CG-CB 3.97Å; F102-L107 HydrophobicContact CZ-CD1 4.26Å; L107-A109 PolarHBondContact O-N 3.04Å; L107-V110 PolarHBondContact O-N 2.89Å; L107-N111 WeakPolarHBondContact O-CB 3.12Å; L107-N111 PolarHBondContact O-N 2.98Å; L107-N111 PolarHBondContact O-ND2 3.4Å
108	R	93.5	Very high	91.3	Very high	50 Å²	50	47.4 Å²	47.4	19%	0.189	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-49.5	175.2	-163.6	-172.6	-67.3	-180	-5.2	112.1	Y78 D79 L105 Q106 V110 N111 L112 I287	Y78-R108 WeakPolarHBondContact O-CA 3.29Å; D79-R108 WeakPolarHBondContact OD1-CB 3.43Å; D79-R108 IonicContact OD1-CZ 2.72Å; D79-R108 IonicContact OD1-NE 2.63Å; D79-R108 PolarHBondContact OD1-NE 2.91Å; D79-R108 IonicContact OD1-NH2 3.04Å; D79-R108 PolarHBondContact OD1-NH2 3.36Å; D79-R108 IonicContact OD2-CZ 2.93Å; D79-R108 IonicContact OD2-NE 2.74Å; D79-R108 PolarHBondContact OD2-NE 3.35Å; D79-R108 IonicContact OD2-NH2 3.05Å; D79-R108 PolarHBondContact OD2-NH2 2.91Å; L105-R108 PolarHBondContact O-N 3.45Å; Q106-R108 VanDerWaalsContact C-N 3.32Å; Q106-R108 PolarHBondContact O-N 2.82Å; R108-V110 VanDerWaalsContact C-N 3.35Å; R108-V110 PolarHBondContact O-N 3.28Å; R108-N111 PolarHBondContact O-N 3.34Å; R108-L112 HydrophobicContact CG-CD1 4.02Å; R108-L112 WeakPolarHBondContact O-CB 3.44Å; R108-L112 WeakPolarHBondContact O-CG 3.2Å; R108-L112 PolarHBondContact O-N 2.81Å; R108-I287 HydrophobicContact CG-CD1 4.49Å
109	A	93.8	Very high	91.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-44.1	178.7	0	0	0	0	0	111.3	L105 Q106 L107 T113 L121 C132 F261 I287	L105-A109 WeakPolarHBondContact O-CB 3.35Å; L105-A109 PolarHBondContact O-N 3.15Å; Q106-A109 PolarHBondContact O-N 3.14Å; L107-A109 PolarHBondContact O-N 3.04Å; A109-T113 WeakPolarHBondContact O-CB 3.29Å; A109-T113 PolarHBondContact O-N 3.21Å; A109-T113 VanDerWaalsContact O-N 3.08Å; A109-T113 PolarHBondContact O-OG1 3.29Å; A109-L121 HydrophobicContact CB-CD1 4.43Å; A109-L121 HydrophobicContact CB-CD2 4.17Å; A109-C132 HydrophobicContact CB-CB 4.17Å; A109-F261 HydrophobicContact CB-CE2 4.45Å; A109-F261 HydrophobicContact CB-CZ 4.31Å; A109-I287 HydrophobicContact CB-CD1 3.92Å
110	V	94.6	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-48.2	176.3	167.5	0	0	0	0	111.1	V89 F102 Q106 L107 R108 T113 M114 L135 P136	V89-V110 HydrophobicContact CG1-CG1 3.95Å; V89-V110 HydrophobicContact CG2-CG1 4.24Å; F102-V110 HydrophobicContact CE1-CG2 4.43Å; Q106-V110 WeakPolarHBondContact O-CG2 3.33Å; Q106-V110 PolarHBondContact O-N 3.44Å; L107-V110 PolarHBondContact O-N 2.89Å; R108-V110 VanDerWaalsContact C-N 3.35Å; R108-V110 PolarHBondContact O-N 3.28Å; V110-T113 WeakPolarHBondContact O-CB 3.44Å; V110-T113 PolarHBondContact O-N 2.67Å; V110-M114 HydrophobicContact CG1-CG 4.3Å; V110-M114 WeakPolarHBondContact O-CB 3.46Å; V110-M114 VanDerWaalsContact O-CG 3.25Å; V110-M114 WeakPolarHBondContact O-CG 3.47Å; V110-M114 PolarHBondContact O-N 2.81Å; V110-L135 HydrophobicContact CG2-CD2 4.47Å; V110-P136 HydrophobicContact CB-CG 4.47Å; V110-P136 HydrophobicContact CG1-CG 4.14Å; V110-P136 HydrophobicContact CG2-CG 4.29Å
111	N	95.1	Very high	92.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-44.4	-178.2	-74.7	-27.4	0	0	0	112.6	Y78 G80 F83 W85 L107 R108 T113 M114 A115	Y78-N111 HydrophobicContact CD1-CB 3.92Å; Y78-N111 PolarHBondContact O-ND2 3.39Å; G80-N111 PolarHBondContact O-ND2 3.05Å; F83-N111 HydrophobicContact CD2-CB 4.29Å; F83-N111 HydrophobicContact CE2-CB 4.03Å; F83-N111 WeakPolarHBondContact CE2-ND2 3.47Å; W85-N111 PolarHBondContact NE1-OD1 3.11Å; L107-N111 WeakPolarHBondContact O-CB 3.12Å; L107-N111 PolarHBondContact O-N 2.98Å; L107-N111 PolarHBondContact O-ND2 3.4Å; R108-N111 PolarHBondContact O-N 3.34Å; N111-T113 VanDerWaalsContact C-N 3.27Å; N111-T113 PolarHBondContact O-N 3.33Å; N111-M114 PolarHBondContact O-N 2.96Å; N111-A115 WeakPolarHBondContact O-CB 3.18Å; N111-A115 PolarHBondContact O-N 3.05Å
112	L	93.6	Very high	92.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-42	176.5	-79	163.6	0	0	0	111.9	L75 Y78 R108 A115 G116 N117 V119 V285 I287	L75-L112 HydrophobicContact CD2-CD1 4.33Å; Y78-L112 HydrophobicContact CD1-CD2 3.87Å; Y78-L112 HydrophobicContact CD1-CG 3.89Å; Y78-L112 HydrophobicContact CD2-CD2 3.65Å; Y78-L112 HydrophobicContact CD2-CG 4.17Å; Y78-L112 HydrophobicContact CE1-CD2 3.86Å; Y78-L112 HydrophobicContact CE1-CG 4.3Å; Y78-L112 HydrophobicContact CE2-CD2 3.63Å; Y78-L112 HydrophobicContact CG-CD2 3.78Å; Y78-L112 HydrophobicContact CG-CG 3.82Å; R108-L112 HydrophobicContact CG-CD1 4.02Å; R108-L112 WeakPolarHBondContact O-CB 3.44Å; R108-L112 WeakPolarHBondContact O-CG 3.2Å; R108-L112 PolarHBondContact O-N 2.81Å; L112-A115 PolarHBondContact O-N 2.93Å; L112-G116 PolarHBondContact O-N 3.37Å; L112-N117 WeakPolarHBondContact O-CB 3.26Å; L112-N117 PolarHBondContact O-N 3.18Å; L112-N117 VanDerWaalsContact O-N 3.15Å; L112-N117 PolarHBondContact O-ND2 3.05Å; L112-N117 VanDerWaalsContact O-ND2 3.1Å; L112-V119 HydrophobicContact CB-CG2 3.75Å; L112-V285 HydrophobicContact CD1-CG1 3.74Å; L112-V285 HydrophobicContact CD2-CG1 4.26Å; L112-V285 HydrophobicContact CD2-CG2 4.38Å; L112-I287 HydrophobicContact CD1-CD1 3.5Å; L112-I287 HydrophobicContact CD1-CG1 4.15Å
113	T	92.6	Very high	92.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-49.2	178.5	-65	0	0	0	0	110	A109 V110 N111 A115 G116 P136 R225 F261	A109-T113 WeakPolarHBondContact O-CB 3.29Å; A109-T113 PolarHBondContact O-N 3.21Å; A109-T113 VanDerWaalsContact O-N 3.08Å; A109-T113 PolarHBondContact O-OG1 3.29Å; V110-T113 WeakPolarHBondContact O-CB 3.44Å; V110-T113 PolarHBondContact O-N 2.67Å; N111-T113 VanDerWaalsContact C-N 3.27Å; N111-T113 PolarHBondContact O-N 3.33Å; T113-A115 VanDerWaalsContact C-N 3.27Å; T113-A115 PolarHBondContact O-N 2.89Å; T113-G116 PolarHBondContact O-N 3.03Å; T113-P136 HydrophobicContact CG2-CB 4Å; T113-P136 HydrophobicContact CG2-CG 3.86Å; T113-R225 VanDerWaalsContact C-NH2 3.32Å; T113-R225 PolarHBondContact O-NH1 3.49Å; T113-R225 PolarHBondContact O-NH2 3.17Å; T113-F261 HydrophobicContact CG2-CD2 4.24Å; T113-F261 VanDerWaalsContact OG1-CD2 3.23Å; T113-F261 WeakPolarHBondContact OG1-CD2 3.32Å; T113-F261 WeakPolarHBondContact OG1-CE2 3.37Å
114	M	93.9	Very high	92.3	Very high	34 Å²	34	21.6 Å²	21.6	17%	0.167	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-32.6	175.5	-71.9	-64	-74.3	0	0	113.2	W85 V110 N111 G116 P136 C139	W85-M114 HydrophobicContact CB-CE 3.7Å; W85-M114 HydrophobicContact CD2-CB 3.81Å; W85-M114 HydrophobicContact CE3-CB 4.45Å; W85-M114 HydrophobicContact CG-CB 4.04Å; W85-M114 HydrophobicContact CG-CE 3.94Å; W85-M114 HydrophobicContact CG-CG 4.33Å; W85-M114 HydrophobicContact CZ2-CB 4.03Å; V110-M114 HydrophobicContact CG1-CG 4.3Å; V110-M114 WeakPolarHBondContact O-CB 3.46Å; V110-M114 VanDerWaalsContact O-CG 3.25Å; V110-M114 WeakPolarHBondContact O-CG 3.47Å; V110-M114 PolarHBondContact O-N 2.81Å; N111-M114 PolarHBondContact O-N 2.96Å; M114-G116 PolarHBondContact O-N 3.02Å; M114-P136 HydrophobicContact CG-CB 4.3Å; M114-P136 HydrophobicContact CG-CG 4.39Å; M114-P136 HydrophobicContact SD-CB 3.72Å; M114-P136 HydrophobicContact SD-CG 4.39Å; M114-C139 HydrophobicContact CE-CB 3.72Å; M114-C139 HydrophobicContact SD-CB 4.3Å
115	A	93.3	Very high	91.9	Very high	42 Å²	42	17.1 Å²	17.1	35%	0.347	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.1	173.9	0	0	0	0	0	114.2	Y78 W85 N111 L112 T113	Y78-A115 HydrophobicContact CE1-CB 4.09Å; W85-A115 HydrophobicContact CH2-CB 3.86Å; W85-A115 HydrophobicContact CZ2-CB 4.12Å; N111-A115 WeakPolarHBondContact O-CB 3.18Å; N111-A115 PolarHBondContact O-N 3.05Å; L112-A115 PolarHBondContact O-N 2.93Å; T113-A115 VanDerWaalsContact C-N 3.27Å; T113-A115 PolarHBondContact O-N 2.89Å
116	G	91.5	Very high	91	Very high	44 Å²	44	16.6 Å²	16.6	45%	0.454	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	14.4	176.3	0	0	0	0	0	114.9	L112 T113 M114	L112-G116 PolarHBondContact O-N 3.37Å; T113-G116 PolarHBondContact O-N 3.03Å; M114-G116 PolarHBondContact O-N 3.02Å
117	N	93.5	Very high	90.2	Very high	49 Å²	49	19.4 Å²	19.4	26%	0.262	12%	0.118	S	C	.	.			trans	-79.7	149.6	176.4	-59.9	-80.8	0	0	0	111.5	L112 V119	L112-N117 WeakPolarHBondContact O-CB 3.26Å; L112-N117 PolarHBondContact O-N 3.18Å; L112-N117 VanDerWaalsContact O-N 3.15Å; L112-N117 PolarHBondContact O-ND2 3.05Å; L112-N117 VanDerWaalsContact O-ND2 3.1Å; N117-V119 HydrophobicContact CB-CG2 4.29Å
118	D	95.9	Very high	89.7	Confident	27 Å²	27	18.8 Å²	18.8	14%	0.144	12%	0.121	C	C	.	.			trans	-76.1	130.3	164.1	-62.6	-41.2	0	0	0	108.9	K252 P259 L260 V281 P284 V285	D118-K252 VanDerWaalsContact CG-NZ 3.28Å; D118-K252 IonicContact OD1-NZ 2.73Å; D118-K252 PolarHBondContact OD1-NZ 3.28Å; D118-K252 WeakPolarHBondContact OD2-CE 3.39Å; D118-K252 IonicContact OD2-NZ 3.06Å; D118-K252 PolarHBondContact OD2-NZ 3Å; D118-P259 WeakPolarHBondContact OD1-CA 3.48Å; D118-L260 CarbonylContact C-O 3.6Å; D118-L260 VanDerWaalsContact CA-O 3.29Å; D118-L260 WeakPolarHBondContact CA-O 3.09Å; D118-L260 PolarHBondContact OD1-N 3.35Å; D118-V281 HydrophobicContact CB-CG1 3.57Å; D118-P284 HydrophobicContact CB-CB 4.32Å; D118-P284 WeakPolarHBondContact O-CA 3.43Å; D118-V285 PolarHBondContact O-N 3.33Å
119	V	95.6	Very high	89.5	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.2	-172	-178.3	0	0	0	0	110.6	L112 N117 L260 F261 G262 V285 I287	L112-V119 HydrophobicContact CB-CG2 3.75Å; N117-V119 HydrophobicContact CB-CG2 4.29Å; V119-L260 PolarHBondContact N-O 3.47Å; V119-F261 HydrophobicContact CB-CD2 3.71Å; V119-F261 HydrophobicContact CB-CE2 3.81Å; V119-F261 HydrophobicContact CG1-CD2 4.17Å; V119-F261 HydrophobicContact CG1-CE2 3.75Å; V119-F261 HydrophobicContact CG2-CD2 4.48Å; V119-F261 CarbonylContact O-C 3.53Å; V119-F261 WeakPolarHBondContact O-CA 3.17Å; V119-G262 PolarHBondContact O-N 3.32Å; V119-V285 CarbonylContact C-O 3.54Å; V119-V285 VanDerWaalsContact CA-O 3.28Å; V119-V285 WeakPolarHBondContact CA-O 3.13Å; V119-V285 WeakPolarHBondContact CG1-O 3.39Å; V119-V285 HydrophobicContact CG2-CB 4.41Å; V119-I287 HydrophobicContact CG1-CD1 3.76Å; V119-I287 HydrophobicContact CG1-CG1 4.15Å
120	F	95.4	Very high	89.3	Confident	1 Å²	1	19 Å²	19	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.8	166.3	-78.1	3	0	0	0	109.5	V231 L260 G262 L272 C275 E276 L279 P284 V285 T286 I287	F120-V231 HydrophobicContact CE1-CG2 4.4Å; F120-V231 HydrophobicContact CZ-CG2 4.31Å; F120-L260 HydrophobicContact CE1-CD2 3.95Å; F120-G262 CarbonylContact C-O 3.58Å; F120-G262 WeakPolarHBondContact CA-O 3.27Å; F120-L272 HydrophobicContact CD2-CD2 4.07Å; F120-C275 HydrophobicContact CE2-CB 4.02Å; F120-C275 HydrophobicContact CZ-CB 4.35Å; F120-E276 HydrophobicContact CD2-CG 4.21Å; F120-E276 HydrophobicContact CE2-CB 4.5Å; F120-E276 HydrophobicContact CE2-CG 3.61Å; F120-E276 HydrophobicContact CZ-CG 4.33Å; F120-L279 HydrophobicContact CE1-CD1 4.26Å; F120-L279 HydrophobicContact CZ-CD1 4.02Å; F120-P284 HydrophobicContact CD1-CB 4.28Å; F120-P284 HydrophobicContact CD1-CG 4.43Å; F120-P284 HydrophobicContact CD2-CG 4.04Å; F120-P284 HydrophobicContact CE2-CG 4.16Å; F120-P284 HydrophobicContact CG-CB 4.32Å; F120-P284 HydrophobicContact CG-CG 4.19Å; F120-P284 HydrophobicContact CZ-CG 4.38Å; F120-V285 PolarHBondContact N-O 3.44Å; F120-T286 CarbonylContact O-C 3.53Å; F120-T286 WeakPolarHBondContact O-CA 3.4Å; F120-I287 PolarHBondContact O-N 2.68Å
121	L	94	Very high	89.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111	177.9	178.8	64	0	0	0	110	A109 M123 C132 F261 G262 L263 T264 I287	A109-L121 HydrophobicContact CB-CD1 4.43Å; A109-L121 HydrophobicContact CB-CD2 4.17Å; L121-M123 HydrophobicContact CD1-CB 4.31Å; L121-M123 HydrophobicContact CG-CB 4.18Å; L121-C132 HydrophobicContact CD2-CB 3.94Å; L121-F261 HydrophobicContact CB-CE2 4.44Å; L121-F261 HydrophobicContact CB-CZ 3.96Å; L121-F261 HydrophobicContact CD2-CZ 3.94Å; L121-G262 PolarHBondContact N-O 3.2Å; L121-L263 HydrophobicContact CB-CD2 3.83Å; L121-L263 HydrophobicContact CD2-CD2 3.71Å; L121-L263 HydrophobicContact CG-CD2 4.12Å; L121-T264 PolarHBondContact O-N 3.47Å; L121-I287 HydrophobicContact CD1-CB 3.89Å; L121-I287 HydrophobicContact CD1-CG2 3.87Å
122	V	91.3	Very high	89.2	Confident	11 Å²	11	19.5 Å²	19.5	7%	0.067	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.5	169.7	-172.4	0	0	0	0	108.1	T264 L272 I287 T288 A289	V122-T264 CarbonylContact C-O 3.56Å; V122-T264 WeakPolarHBondContact CA-O 3.15Å; V122-T264 HydrophobicContact CB-CG2 4.44Å; V122-T264 HydrophobicContact CG1-CG2 4.4Å; V122-T264 HydrophobicContact CG2-CG2 3.89Å; V122-L272 HydrophobicContact CG2-CD1 3.65Å; V122-L272 HydrophobicContact CG2-CD2 4.03Å; V122-L272 HydrophobicContact CG2-CG 4.39Å; V122-I287 PolarHBondContact N-O 3.08Å; V122-T288 HydrophobicContact CB-CG2 4.1Å; V122-T288 HydrophobicContact CG1-CG2 4.23Å; V122-A289 PolarHBondContact O-N 3.28Å
123	M	88.1	Confident	89.2	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.015	13%	0.13	C	C	.	.			trans	-142.1	135.7	179.8	-170.7	173.1	65.7	0	0	111.2	L121 R127 K129 T264 A265 A289	L121-M123 HydrophobicContact CD1-CB 4.31Å; L121-M123 HydrophobicContact CG-CB 4.18Å; M123-R127 VanDerWaalsContact CE-C 3.43Å; M123-R127 HydrophobicContact CE-CB 3.86Å; M123-R127 VanDerWaalsContact CE-O 3.27Å; M123-R127 WeakPolarHBondContact CE-O 3.31Å; M123-R127 HydrophobicContact CG-CB 3.65Å; M123-R127 HydrophobicContact CG-CG 4.49Å; M123-R127 HydrophobicContact SD-CB 3.63Å; M123-K129 HydrophobicContact CB-CD 4.29Å; M123-K129 HydrophobicContact CB-CG 3.87Å; M123-K129 VanDerWaalsContact CE-CA 3.46Å; M123-K129 HydrophobicContact CE-CB 4.07Å; M123-K129 HydrophobicContact CE-CG 3.49Å; M123-K129 VanDerWaalsContact CE-CG 3.49Å; M123-K129 HydrophobicContact CG-CG 4.49Å; M123-K129 WeakPolarHBondContact O-CD 3.37Å; M123-K129 PolarHBondContact O-NZ 3.31Å; M123-T264 PolarHBondContact N-O 2.93Å; M123-A265 VanDerWaalsContact O-CA 3.29Å; M123-A265 WeakPolarHBondContact O-CA 3.32Å; M123-A289 HydrophobicContact CB-CB 4.15Å; M123-A289 HydrophobicContact CG-CB 3.79Å
124	P	82.3	Confident	89.3	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.019	13%	0.131	C	C	.	.			trans	-49	155.5	178.7	-30.1	33.3	0	0	0	114.8	R127 K129 S290 Y409	P124-R127 HydrophobicContact CB-CG 4.11Å; P124-R127 PolarHBondContact O-N 3.45Å; P124-K129 PolarHBondContact O-NZ 3.22Å; P124-K129 VanDerWaalsContact O-NZ 3.11Å; P124-S290 WeakPolarHBondContact CG-O 3.22Å; P124-Y409 VanDerWaalsContact CB-OH 3.27Å; P124-Y409 WeakPolarHBondContact CB-OH 3.11Å; P124-Y409 WeakPolarHBondContact CG-OH 3.35Å
125	T	76.7	Confident	89.3	Confident	13 Å²	13	18.2 Å²	18.2	8%	0.08	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	145.4	171.1	50.4	0	0	0	0	110.6	R127 A265 Q410	T125-R127 PolarHBondContact O-N 2.87Å; T125-A265 HydrophobicContact CG2-CB 3.88Å; T125-Q410 HydrophobicContact CG2-CG 4Å
126	G	71	Confident	89.4	Confident	27 Å²	27	16.2 Å²	16.2	28%	0.278	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-4.9	-179.3	0	0	0	0	0	116.1	R103 G128	R103-G126 PolarHBondContact NH1-O 2.95Å; G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 2.84Å
127	R	75.7	Confident	89.6	Confident	65 Å²	65	14.1 Å²	14.1	25%	0.245	9%	0.085	C	C	.	.	S	Bend	trans	-83.4	3.9	177.7	-73.2	-163.5	-177.2	-79.2	4.4	115	R103 Q106 M123 P124 T125 N292	R103-R127 WeakPolarHBondContact CD-O 3.34Å; Q106-R127 PolarHBondContact NE2-O 3.47Å; M123-R127 VanDerWaalsContact CE-C 3.43Å; M123-R127 HydrophobicContact CE-CB 3.86Å; M123-R127 VanDerWaalsContact CE-O 3.27Å; M123-R127 WeakPolarHBondContact CE-O 3.31Å; M123-R127 HydrophobicContact CG-CB 3.65Å; M123-R127 HydrophobicContact CG-CG 4.49Å; M123-R127 HydrophobicContact SD-CB 3.63Å; P124-R127 HydrophobicContact CB-CG 4.11Å; P124-R127 PolarHBondContact O-N 3.45Å; T125-R127 PolarHBondContact O-N 2.87Å; R127-N292 PolarHBondContact NH2-O 3.47Å
128	G	81.8	Confident	89.6	Confident	25 Å²	25	12.5 Å²	12.5	26%	0.258	8%	0.077	S	C	.	.			trans	86.6	44.7	173.3	0	0	0	0	0	114.3	Q106 G126 S130	Q106-G128 PolarHBondContact NE2-O 3.37Å; G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 2.84Å; G128-S130 VanDerWaalsContact C-N 3.26Å; G128-S130 PolarHBondContact O-N 2.98Å
129	K	89.3	Confident	89.4	Confident	21 Å²	21	11.9 Å²	11.9	9%	0.091	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-37.8	175.7	-76.7	-171.5	-71.2	-80.4	0	112.1	M123 P124 L131 C132 L263	M123-K129 HydrophobicContact CB-CD 4.29Å; M123-K129 HydrophobicContact CB-CG 3.87Å; M123-K129 VanDerWaalsContact CE-CA 3.46Å; M123-K129 HydrophobicContact CE-CB 4.07Å; M123-K129 HydrophobicContact CE-CG 3.49Å; M123-K129 VanDerWaalsContact CE-CG 3.49Å; M123-K129 HydrophobicContact CG-CG 4.49Å; M123-K129 WeakPolarHBondContact O-CD 3.37Å; M123-K129 PolarHBondContact O-NZ 3.31Å; P124-K129 PolarHBondContact O-NZ 3.22Å; P124-K129 VanDerWaalsContact O-NZ 3.11Å; K129-L131 VanDerWaalsContact C-N 3.32Å; K129-L131 PolarHBondContact O-N 3.12Å; K129-C132 WeakPolarHBondContact O-CB 3.39Å; K129-C132 PolarHBondContact O-N 2.95Å; K129-C132 VanDerWaalsContact O-N 3.14Å; K129-L263 HydrophobicContact CB-CD2 4.05Å; K129-L263 HydrophobicContact CD-CB 4.47Å; K129-L263 HydrophobicContact CD-CD2 4.31Å; K129-L263 HydrophobicContact CG-CD2 4.3Å
130	S	90.9	Very high	89.2	Confident	32 Å²	32	12.8 Å²	12.8	22%	0.224	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.4	-176.3	-47.5	0	0	0	0	112.9	G128 C132 F133 Q134 Q157	G128-S130 VanDerWaalsContact C-N 3.26Å; G128-S130 PolarHBondContact O-N 2.98Å; S130-C132 PolarHBondContact O-N 3.33Å; S130-C132 VanDerWaalsContact O-N 3.17Å; S130-F133 VanDerWaalsContact CA-CE1 3.43Å; S130-F133 VanDerWaalsContact O-CD1 3.26Å; S130-F133 WeakPolarHBondContact O-CD1 3.39Å; S130-F133 PolarHBondContact O-N 3.33Å; S130-F133 VanDerWaalsContact O-N 3.15Å; S130-Q134 WeakPolarHBondContact O-CB 3.35Å; S130-Q134 WeakPolarHBondContact O-CG 3.29Å; S130-Q134 PolarHBondContact O-N 3.13Å; S130-Q157 PolarHBondContact OG-OE1 3.21Å
131	L	92	Very high	89	Confident	11 Å²	11	21.8 Å²	21.8	6%	0.058	12%	0.12	C	C	.	.	H	α-helix	trans	-57.3	-35	178.5	-173.3	68.7	0	0	0	112.3	L93 F97 L99 F102 K129 F133 Q134 L135	L93-L131 HydrophobicContact CD1-CD1 4.37Å; L93-L131 HydrophobicContact CD1-CD2 3.92Å; F97-L131 HydrophobicContact CB-CD1 4.29Å; F97-L131 HydrophobicContact CD1-CD1 3.88Å; F97-L131 HydrophobicContact CD2-CD1 4.11Å; F97-L131 HydrophobicContact CE1-CD1 4.21Å; F97-L131 HydrophobicContact CE2-CD1 4.44Å; F97-L131 HydrophobicContact CG-CD1 3.82Å; F97-L131 HydrophobicContact CZ-CD1 4.48Å; L99-L131 HydrophobicContact CD1-CD1 4.15Å; L99-L131 HydrophobicContact CD1-CD2 3.62Å; F102-L131 HydrophobicContact CD1-CD2 4.42Å; F102-L131 HydrophobicContact CE1-CD2 4.42Å; K129-L131 VanDerWaalsContact C-N 3.32Å; K129-L131 PolarHBondContact O-N 3.12Å; L131-F133 PolarHBondContact O-N 2.89Å; L131-Q134 PolarHBondContact O-N 3.1Å; L131-L135 HydrophobicContact CD1-CB 4.22Å; L131-L135 VanDerWaalsContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CB 3.36Å; L131-L135 PolarHBondContact O-N 3.4Å
132	C	94.1	Very high	88.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-22.2	-177	-59.6	0	0	0	0	113.7	A109 L121 K129 S130 P136 F261	A109-C132 HydrophobicContact CB-CB 4.17Å; L121-C132 HydrophobicContact CD2-CB 3.94Å; K129-C132 WeakPolarHBondContact O-CB 3.39Å; K129-C132 PolarHBondContact O-N 2.95Å; K129-C132 VanDerWaalsContact O-N 3.14Å; S130-C132 PolarHBondContact O-N 3.33Å; S130-C132 VanDerWaalsContact O-N 3.17Å; C132-P136 WeakPolarHBondContact O-CD 3.46Å; C132-P136 VanDerWaalsContact O-CG 3.23Å; C132-P136 WeakPolarHBondContact O-CG 3.4Å; C132-F261 HydrophobicContact CB-CE1 3.99Å; C132-F261 HydrophobicContact CB-CZ 3.77Å
133	F	94.1	Very high	89.2	Confident	3 Å²	3	21.7 Å²	21.7	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-112	-29.7	173.5	71.2	-98.5	0	0	0	113.4	S130 L131 A137 V146 M196 V227 F261 L263	S130-F133 VanDerWaalsContact CA-CE1 3.43Å; S130-F133 VanDerWaalsContact O-CD1 3.26Å; S130-F133 WeakPolarHBondContact O-CD1 3.39Å; S130-F133 PolarHBondContact O-N 3.33Å; S130-F133 VanDerWaalsContact O-N 3.15Å; L131-F133 PolarHBondContact O-N 2.89Å; F133-A137 WeakPolarHBondContact O-CB 3.46Å; F133-A137 PolarHBondContact O-N 2.83Å; F133-V146 HydrophobicContact CD2-CG2 4.13Å; F133-V146 HydrophobicContact CE2-CG1 4.18Å; F133-V146 HydrophobicContact CE2-CG2 3.76Å; F133-V146 HydrophobicContact CZ-CG1 4.22Å; F133-M196 HydrophobicContact CE2-SD 4.43Å; F133-V227 HydrophobicContact CB-CG1 4.32Å; F133-V227 HydrophobicContact CB-CG2 3.64Å; F133-V227 HydrophobicContact CD1-CG1 3.97Å; F133-V227 HydrophobicContact CD2-CG1 4.29Å; F133-V227 HydrophobicContact CD2-CG2 4Å; F133-V227 HydrophobicContact CE1-CG1 4.22Å; F133-V227 HydrophobicContact CG-CG1 3.95Å; F133-V227 HydrophobicContact CG-CG2 3.9Å; F133-F261 HydrophobicContact CB-CD1 3.88Å; F133-F261 HydrophobicContact CB-CE1 4.08Å; F133-L263 HydrophobicContact CD1-CD1 3.38Å; F133-L263 HydrophobicContact CE1-CD1 3.6Å; F133-L263 HydrophobicContact CG-CD1 4.42Å
134	Q	95.2	Very high	89.6	Confident	5 Å²	5	21.6 Å²	21.6	2%	0.023	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-41.7	178.7	-71.8	172.2	-15.1	0	0	111.7	F97 S130 L131 A137 V138 L161 M196 Y198	F97-Q134 HydrophobicContact CE1-CB 4.11Å; F97-Q134 HydrophobicContact CZ-CB 3.87Å; S130-Q134 WeakPolarHBondContact O-CB 3.35Å; S130-Q134 WeakPolarHBondContact O-CG 3.29Å; S130-Q134 PolarHBondContact O-N 3.13Å; L131-Q134 PolarHBondContact O-N 3.1Å; Q134-A137 WeakPolarHBondContact O-CB 3.16Å; Q134-A137 PolarHBondContact O-N 3.03Å; Q134-V138 WeakPolarHBondContact O-CG2 3.22Å; Q134-V138 PolarHBondContact O-N 3.47Å; Q134-L161 HydrophobicContact CG-CD2 4.32Å; Q134-M196 HydrophobicContact CB-CE 3.87Å; Q134-M196 HydrophobicContact CB-SD 4.29Å; Q134-M196 HydrophobicContact CG-CE 3.96Å; Q134-M196 HydrophobicContact CG-SD 3.8Å; Q134-Y198 PolarHBondContact NE2-OH 2.71Å
135	L	94.6	Very high	90.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.6	-47.9	179.8	-176.4	66.2	0	0	0	112	V89 H92 L93 F97 F102 V110 L131 A137 V138 C139	V89-L135 HydrophobicContact CG1-CD2 3.73Å; V89-L135 HydrophobicContact CG1-CG 4.39Å; H92-L135 HydrophobicContact CB-CD1 3.62Å; L93-L135 HydrophobicContact CB-CD2 4.38Å; L93-L135 HydrophobicContact CD1-CD2 4.19Å; F97-L135 HydrophobicContact CD2-CD1 3.87Å; F97-L135 HydrophobicContact CE2-CB 4.26Å; F97-L135 HydrophobicContact CE2-CD1 3.76Å; F102-L135 HydrophobicContact CE1-CD2 3.7Å; F102-L135 HydrophobicContact CZ-CD2 3.64Å; V110-L135 HydrophobicContact CG2-CD2 4.47Å; L131-L135 HydrophobicContact CD1-CB 4.22Å; L131-L135 VanDerWaalsContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CB 3.36Å; L131-L135 PolarHBondContact O-N 3.4Å; L135-A137 VanDerWaalsContact C-N 3.27Å; L135-A137 PolarHBondContact O-N 3.05Å; L135-V138 PolarHBondContact O-N 2.95Å; L135-C139 PolarHBondContact O-N 3.46Å; L135-C139 PolarHBondContact O-SG 3.39Å
136	P	95	Very high	91.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.4	-36.6	169.9	-30.1	36.5	0	0	0	114.6	V110 T113 M114 C132 V138 C139 S140	V110-P136 HydrophobicContact CB-CG 4.47Å; V110-P136 HydrophobicContact CG1-CG 4.14Å; V110-P136 HydrophobicContact CG2-CG 4.29Å; T113-P136 HydrophobicContact CG2-CB 4Å; T113-P136 HydrophobicContact CG2-CG 3.86Å; M114-P136 HydrophobicContact CG-CB 4.3Å; M114-P136 HydrophobicContact CG-CG 4.39Å; M114-P136 HydrophobicContact SD-CB 3.72Å; M114-P136 HydrophobicContact SD-CG 4.39Å; C132-P136 WeakPolarHBondContact O-CD 3.46Å; C132-P136 VanDerWaalsContact O-CG 3.23Å; C132-P136 WeakPolarHBondContact O-CG 3.4Å; P136-V138 VanDerWaalsContact C-N 3.3Å; P136-V138 PolarHBondContact O-N 3.4Å; P136-C139 PolarHBondContact O-N 3.01Å; P136-S140 VanDerWaalsContact O-CB 3.29Å; P136-S140 WeakPolarHBondContact O-CB 2.9Å; P136-S140 PolarHBondContact O-N 2.95Å; P136-S140 PolarHBondContact O-OG 3.07Å
137	A	94.7	Very high	92.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-36.5	179.5	0	0	0	0	0	112.1	F133 Q134 L135 T144 M196	F133-A137 WeakPolarHBondContact O-CB 3.46Å; F133-A137 PolarHBondContact O-N 2.83Å; Q134-A137 WeakPolarHBondContact O-CB 3.16Å; Q134-A137 PolarHBondContact O-N 3.03Å; L135-A137 VanDerWaalsContact C-N 3.27Å; L135-A137 PolarHBondContact O-N 3.05Å; A137-T144 HydrophobicContact CB-CG2 4.49Å; A137-T144 VanDerWaalsContact CB-OG1 3.29Å; A137-T144 WeakPolarHBondContact CB-OG1 3.49Å; A137-M196 HydrophobicContact CB-CE 4.02Å; A137-M196 HydrophobicContact CB-CG 3.81Å; A137-M196 HydrophobicContact CB-SD 4.24Å
138	V	93.4	Very high	93.3	Very high	15 Å²	15	16.5 Å²	16.5	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-70.1	-45	176.5	177.9	0	0	0	0	111.3	F97 Q134 L135 P136 S140 I166 K195 M196	F97-V138 HydrophobicContact CE2-CG2 4.37Å; F97-V138 HydrophobicContact CZ-CG2 4.42Å; Q134-V138 WeakPolarHBondContact O-CG2 3.22Å; Q134-V138 PolarHBondContact O-N 3.47Å; L135-V138 PolarHBondContact O-N 2.95Å; P136-V138 VanDerWaalsContact C-N 3.3Å; P136-V138 PolarHBondContact O-N 3.4Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 3.21Å; V138-I166 HydrophobicContact CG2-CD1 3.78Å; V138-I166 HydrophobicContact CG2-CG1 4.23Å; V138-I166 HydrophobicContact CG2-CG2 4.08Å; V138-K195 PolarHBondContact O-NZ 3.49Å; V138-M196 HydrophobicContact CG2-CE 4.4Å
139	C	92.6	Very high	93.4	Very high	13 Å²	13	15.5 Å²	15.5	9%	0.088	8%	0.08	C	C	.	.	H	α-helix	trans	-70.8	-23.7	-178.7	-53.5	0	0	0	0	112.9	E88 M114 L135 P136	E88-C139 HydrophobicContact CG-CB 4.35Å; M114-C139 HydrophobicContact CE-CB 3.72Å; M114-C139 HydrophobicContact SD-CB 4.3Å; L135-C139 PolarHBondContact O-N 3.46Å; L135-C139 PolarHBondContact O-SG 3.39Å; P136-C139 PolarHBondContact O-N 3.01Å
140	S	91.4	Very high	93.1	Very high	20 Å²	20	16.9 Å²	16.9	14%	0.14	9%	0.089	C	C	.	.	S	Bend	trans	-82.8	148.4	-179.3	-58.7	0	0	0	0	112	P136 V138 K195	P136-S140 VanDerWaalsContact O-CB 3.29Å; P136-S140 WeakPolarHBondContact O-CB 2.9Å; P136-S140 PolarHBondContact O-N 2.95Å; P136-S140 PolarHBondContact O-OG 3.07Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 3.21Å; S140-K195 PolarHBondContact O-NZ 3.33Å
141	K	90.1	Very high	92.6	Very high	190 Å²	190	17.9 Å²	17.9	83%	0.826	9%	0.093	S	C	*	.	S	Bend	trans	-70.9	146	164.5	-64.7	-177	-178.7	179.6	0	109.2	S224	K141-S224 WeakPolarHBondContact O-CB 3.48Å
142	G	93.5	Very high	91.7	Very high	10 Å²	10	19.6 Å²	19.6	10%	0.103	11%	0.106	C	C	.	.	S	Bend	trans	85.6	-154.6	-176.7	0	0	0	0	0	113.7	L222	G142-L222 CarbonylContact C-O 3.54Å; G142-L222 WeakPolarHBondContact CA-O 3.12Å
143	F	95.9	Very high	91.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.6	-179.9	70.5	-89.1	0	0	0	112.3	M187 V192 F194 K195 V197 L214 A217 L222 L223 S224	F143-M187 HydrophobicContact CE1-CB 4.24Å; F143-M187 HydrophobicContact CE1-CG 4.47Å; F143-M187 HydrophobicContact CE2-CE 3.84Å; F143-M187 HydrophobicContact CZ-CB 4.27Å; F143-M187 HydrophobicContact CZ-CE 3.63Å; F143-M187 HydrophobicContact CZ-CG 4.21Å; F143-V192 HydrophobicContact CB-CG1 4.14Å; F143-V192 HydrophobicContact CD1-CG1 4.16Å; F143-F194 HydrophobicContact CB-CD2 3.9Å; F143-F194 HydrophobicContact CB-CE2 4.03Å; F143-F194 HydrophobicContact CD1-CE2 4.03Å; F143-F194 HydrophobicContact CD2-CE2 4.27Å; F143-F194 HydrophobicContact CG-CD2 4.23Å; F143-F194 AromaticContact CG-CE2 3.85Å; F143-F194 HydrophobicContact CG-CE2 3.85Å; F143-K195 CarbonylContact C-O 3.53Å; F143-K195 VanDerWaalsContact CA-O 3.32Å; F143-K195 WeakPolarHBondContact CA-O 3.46Å; F143-V197 HydrophobicContact CD2-CB 4.31Å; F143-V197 HydrophobicContact CD2-CG2 3.66Å; F143-V197 HydrophobicContact CE2-CG2 4.07Å; F143-V197 HydrophobicContact CG-CG2 4.27Å; F143-L214 HydrophobicContact CE2-CD2 4.2Å; F143-L214 HydrophobicContact CZ-CD2 4.18Å; F143-A217 HydrophobicContact CE1-CB 3.8Å; F143-A217 HydrophobicContact CZ-CB 3.93Å; F143-L222 WeakPolarHBondContact CD1-O 3.25Å; F143-L222 HydrophobicContact CE1-CB 4.45Å; F143-L222 PolarHBondContact N-O 3.03Å; F143-L223 HydrophobicContact CD2-CD1 4.32Å; F143-L223 HydrophobicContact CE2-CD1 3.74Å; F143-L223 HydrophobicContact CZ-CD1 4.08Å; F143-S224 PolarHBondContact O-N 2.93Å; F143-S224 PolarHBondContact O-OG 2.77Å; F143-S224 VanDerWaalsContact O-OG 3.04Å
144	T	97.3	Very high	90.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.9	171.8	-66.5	0	0	0	0	110.5	A137 V146 K195 M196 V197 S224 R225 V227	A137-T144 HydrophobicContact CB-CG2 4.49Å; A137-T144 VanDerWaalsContact CB-OG1 3.29Å; A137-T144 WeakPolarHBondContact CB-OG1 3.49Å; T144-V146 HydrophobicContact CG2-CG2 4.09Å; T144-K195 PolarHBondContact N-O 3.22Å; T144-M196 WeakPolarHBondContact O-CA 3.43Å; T144-V197 PolarHBondContact O-N 2.87Å; T144-S224 PolarHBondContact OG1-OG 2.81Å; T144-R225 WeakPolarHBondContact CA-O 3.48Å; T144-R225 HydrophobicContact CG2-CB 3.97Å; T144-R225 HydrophobicContact CG2-CG 4.42Å; T144-V227 HydrophobicContact CG2-CB 4.48Å; T144-V227 HydrophobicContact CG2-CG2 3.52Å
145	L	97.4	Very high	90.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.6	171.9	-179.1	69.1	0	0	0	109.2	I147 V197 V199 L214 L223 R225 I226 V227 L251	L145-I147 HydrophobicContact CD2-CD1 4.02Å; L145-I147 HydrophobicContact CG-CD1 4.04Å; L145-V197 HydrophobicContact CD1-CB 4.39Å; L145-V197 HydrophobicContact CD1-CG1 4.42Å; L145-V199 HydrophobicContact CD1-CG1 3.92Å; L145-V199 HydrophobicContact CD1-CG2 3.82Å; L145-V199 HydrophobicContact CG-CG2 4.42Å; L145-L214 HydrophobicContact CD1-CD2 4.37Å; L145-L214 HydrophobicContact CD2-CD1 3.85Å; L145-L214 HydrophobicContact CD2-CD2 4Å; L145-L223 HydrophobicContact CB-CD1 4Å; L145-R225 PolarHBondContact N-O 3.11Å; L145-I226 CarbonylContact O-C 3.39Å; L145-V227 PolarHBondContact O-N 3.41Å; L145-L251 HydrophobicContact CD2-CD2 4.45Å
146	V	97.2	Very high	89.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114.9	179.2	-172.6	0	0	0	0	109.4	F133 T144 V197 Y198 V199 V227	F133-V146 HydrophobicContact CD2-CG2 4.13Å; F133-V146 HydrophobicContact CE2-CG1 4.18Å; F133-V146 HydrophobicContact CE2-CG2 3.76Å; F133-V146 HydrophobicContact CZ-CG1 4.22Å; T144-V146 HydrophobicContact CG2-CG2 4.09Å; V146-V197 PolarHBondContact N-O 2.62Å; V146-Y198 HydrophobicContact CB-CD1 3.77Å; V146-Y198 HydrophobicContact CB-CE1 3.88Å; V146-Y198 HydrophobicContact CB-CG 4.16Å; V146-Y198 HydrophobicContact CG1-CD1 3.69Å; V146-Y198 HydrophobicContact CG1-CE1 3.56Å; V146-Y198 HydrophobicContact CG2-CD1 4.48Å; V146-Y198 HydrophobicContact CG2-CE1 4.21Å; V146-Y198 HydrophobicContact CG2-CE2 4.46Å; V146-Y198 CarbonylContact O-C 3.39Å; V146-Y198 WeakPolarHBondContact O-CA 3.41Å; V146-V199 PolarHBondContact O-N 3.49Å; V146-V227 HydrophobicContact CB-CB 4.42Å; V146-V227 HydrophobicContact CG1-CB 4.23Å; V146-V227 HydrophobicContact CG1-CG1 4.12Å; V146-V227 HydrophobicContact CG2-CB 4.19Å; V146-V227 HydrophobicContact CG2-CG2 4.44Å
147	I	96.1	Very high	89.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.4	173.9	-56.7	88.4	0	0	0	108.3	L145 V199 P201 V204 I226 V227 V228 D229 L248 L251	L145-I147 HydrophobicContact CD2-CD1 4.02Å; L145-I147 HydrophobicContact CG-CD1 4.04Å; I147-V199 WeakPolarHBondContact CA-O 3.21Å; I147-V199 HydrophobicContact CG1-CG2 3.9Å; I147-P201 HydrophobicContact CG2-CB 4.09Å; I147-V204 HydrophobicContact CG1-CG2 4.01Å; I147-I226 HydrophobicContact CD1-CG2 3.76Å; I147-V227 VanDerWaalsContact CD1-O 3.27Å; I147-V227 WeakPolarHBondContact CD1-O 3.42Å; I147-V227 PolarHBondContact N-O 3.05Å; I147-V228 HydrophobicContact CD1-CG2 4.38Å; I147-D229 WeakPolarHBondContact O-CB 3.48Å; I147-D229 PolarHBondContact O-N 3.03Å; I147-L248 HydrophobicContact CG1-CD2 4.41Å; I147-L248 HydrophobicContact CG2-CD1 3.95Å; I147-L248 HydrophobicContact CG2-CD2 4.23Å; I147-L251 HydrophobicContact CD1-CD1 3.78Å; I147-L251 HydrophobicContact CG1-CD1 4.4Å
148	T	92.2	Very high	88.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.153	C	C	.	.			trans	-142	148.1	-179.4	179.3	0	0	0	0	110.3	L153 M154 Y198 V199 P201	T148-L153 WeakPolarHBondContact OG1-CD2 3.38Å; T148-M154 HydrophobicContact CG2-CB 4.45Å; T148-M154 HydrophobicContact CG2-CG 3.09Å; T148-M154 HydrophobicContact CG2-SD 3.72Å; T148-Y198 HydrophobicContact CG2-CD1 4.26Å; T148-V199 PolarHBondContact N-O 3.43Å; T148-V199 VanDerWaalsContact N-O 3.09Å; T148-P201 WeakPolarHBondContact O-CD 3.49Å
149	P	85.5	Confident	88.4	Confident	4 Å²	4	34.8 Å²	34.8	3%	0.026	18%	0.18	C	C	.	.	S	Bend	trans	-74.5	-31.7	-170.3	26.2	-28.5	0	0	0	112.1	E230 R242 Y245	P149-E230 HydrophobicContact CG-CB 4.2Å; P149-E230 HydrophobicContact CG-CG 4.27Å; P149-R242 VanDerWaalsContact C-NH1 3.25Å; P149-R242 VanDerWaalsContact CA-NH1 3.26Å; P149-R242 VanDerWaalsContact O-CZ 3.28Å; P149-R242 PolarHBondContact O-NH1 3.04Å; P149-R242 PolarHBondContact O-NH2 2.95Å; P149-Y245 HydrophobicContact CB-CE2 4.15Å; P149-Y245 WeakPolarHBondContact CD-OH 3.21Å
150	L	81.2	Confident	88.1	Confident	51 Å²	51	38.1 Å²	38.1	27%	0.267	20%	0.195	S	C	.	.			trans	-115.8	142.6	-169.6	-71	-160.5	0	0	0	114.1	L153 M154 M386	L150-L153 HydrophobicContact CB-CB 4.23Å; L150-L153 PolarHBondContact O-N 2.87Å; L150-M154 PolarHBondContact O-N 2.89Å; L150-M386 HydrophobicContact CD1-CB 3.56Å; L150-M386 HydrophobicContact CD1-CE 3.29Å; L150-M386 HydrophobicContact CD1-CG 4.01Å; L150-M386 HydrophobicContact CD1-SD 3.31Å; L150-M386 WeakPolarHBondContact CD1-SD 3.49Å; L150-M386 HydrophobicContact CD2-CE 4.31Å; L150-M386 HydrophobicContact CG-CE 3.84Å; L150-M386 HydrophobicContact CG-SD 3.62Å
151	V	80.2	Confident	88.1	Confident	52 Å²	52	37.2 Å²	37.2	32%	0.315	19%	0.188	S	C	.	.	H	α-helix	trans	-68.4	-41.2	174.9	-176.9	0	0	0	0	112	L153 M154 E155 N172 T200	V151-L153 VanDerWaalsContact C-N 3.28Å; V151-L153 PolarHBondContact O-N 3.23Å; V151-M154 HydrophobicContact CB-CE 4.07Å; V151-M154 HydrophobicContact CG1-CE 4.27Å; V151-M154 HydrophobicContact CG2-CE 3.79Å; V151-M154 WeakPolarHBondContact O-CB 3.37Å; V151-M154 PolarHBondContact O-N 3.41Å; V151-M154 VanDerWaalsContact O-N 3.08Å; V151-E155 HydrophobicContact CG1-CG 4.38Å; V151-E155 WeakPolarHBondContact O-CG 3.4Å; V151-E155 PolarHBondContact O-N 3.3Å; V151-N172 WeakPolarHBondContact CG1-ND2 3.24Å; V151-N172 HydrophobicContact CG2-CB 4.22Å; V151-T200 HydrophobicContact CG2-CG2 4.41Å
152	S	74.4	Confident	88	Confident	48 Å²	48	34.9 Å²	34.9	34%	0.336	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-41.4	176.8	53.8	0	0	0	0	112.1	M154 E155 D156	S152-M154 VanDerWaalsContact C-N 3.34Å; S152-M154 PolarHBondContact O-N 3.18Å; S152-E155 PolarHBondContact O-N 3.05Å; S152-D156 PolarHBondContact O-N 2.83Å
153	L	81	Confident	87.7	Confident	21 Å²	21	38.8 Å²	38.8	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-37.4	177.3	-171	60.2	0	0	0	111.7	T148 L150 V151 Q157 D229	T148-L153 WeakPolarHBondContact OG1-CD2 3.38Å; L150-L153 HydrophobicContact CB-CB 4.23Å; L150-L153 PolarHBondContact O-N 2.87Å; V151-L153 VanDerWaalsContact C-N 3.28Å; V151-L153 PolarHBondContact O-N 3.23Å; L153-Q157 VanDerWaalsContact O-CG 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.04Å; L153-Q157 PolarHBondContact O-N 3.14Å; L153-Q157 VanDerWaalsContact O-N 3.17Å; L153-D229 WeakPolarHBondContact CD2-OD2 3.36Å
154	M	86.6	Confident	87.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-46.6	171.7	-67.2	-171.6	-74.4	0	0	111.5	T148 L150 V151 S152 D156 Q157 I158 M170 N172 Y198 T200	T148-M154 HydrophobicContact CG2-CB 4.45Å; T148-M154 HydrophobicContact CG2-CG 3.09Å; T148-M154 HydrophobicContact CG2-SD 3.72Å; L150-M154 PolarHBondContact O-N 2.89Å; V151-M154 HydrophobicContact CB-CE 4.07Å; V151-M154 HydrophobicContact CG1-CE 4.27Å; V151-M154 HydrophobicContact CG2-CE 3.79Å; V151-M154 WeakPolarHBondContact O-CB 3.37Å; V151-M154 PolarHBondContact O-N 3.41Å; V151-M154 VanDerWaalsContact O-N 3.08Å; S152-M154 VanDerWaalsContact C-N 3.34Å; S152-M154 PolarHBondContact O-N 3.18Å; M154-D156 PolarHBondContact O-N 2.94Å; M154-Q157 PolarHBondContact O-N 3.43Å; M154-I158 WeakPolarHBondContact O-CB 3.33Å; M154-I158 WeakPolarHBondContact O-CG1 2.72Å; M154-I158 PolarHBondContact O-N 2.88Å; M154-M170 HydrophobicContact CB-SD 4.2Å; M154-M170 HydrophobicContact SD-CB 4.41Å; M154-N172 HydrophobicContact CE-CB 4.09Å; M154-Y198 HydrophobicContact CG-CD1 4.13Å; M154-Y198 HydrophobicContact CG-CG 4.39Å; M154-T200 HydrophobicContact CE-CG2 3.51Å
155	E	82.3	Confident	87	Confident	93 Å²	93	43.7 Å²	43.7	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-44.6	-178.1	-72.4	171.6	172.9	0	0	111.8	V151 S152 Q157 I158 M159 M170	V151-E155 HydrophobicContact CG1-CG 4.38Å; V151-E155 WeakPolarHBondContact O-CG 3.4Å; V151-E155 PolarHBondContact O-N 3.3Å; S152-E155 PolarHBondContact O-N 3.05Å; E155-Q157 PolarHBondContact O-N 3.36Å; E155-I158 PolarHBondContact O-N 2.97Å; E155-M159 WeakPolarHBondContact O-CB 3.32Å; E155-M159 PolarHBondContact O-N 3.15Å; E155-M170 HydrophobicContact CG-CE 3.92Å; E155-M170 HydrophobicContact CG-SD 3.99Å
156	D	80.8	Confident	86.7	Confident	48 Å²	48	44.1 Å²	44.1	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-45.9	176.1	-68.8	-28	0	0	0	111.5	S152 M154 M159 H160 G387	S152-D156 PolarHBondContact O-N 2.83Å; M154-D156 PolarHBondContact O-N 2.94Å; D156-M159 PolarHBondContact O-N 3.38Å; D156-H160 PolarHBondContact O-N 3.02Å; D156-G387 WeakPolarHBondContact OD2-CA 3.41Å
157	Q	87.4	Confident	86.5	Confident	33 Å²	33	47.7 Å²	47.7	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-40.7	177.9	-64.9	-53	-67	0	0	112	S130 L153 M154 E155 H160 L161 Y198	S130-Q157 PolarHBondContact OG-OE1 3.21Å; L153-Q157 VanDerWaalsContact O-CG 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.04Å; L153-Q157 PolarHBondContact O-N 3.14Å; L153-Q157 VanDerWaalsContact O-N 3.17Å; M154-Q157 PolarHBondContact O-N 3.43Å; E155-Q157 PolarHBondContact O-N 3.36Å; Q157-H160 PolarHBondContact O-N 3.22Å; Q157-L161 WeakPolarHBondContact O-CB 3.44Å; Q157-L161 VanDerWaalsContact O-CG 3.23Å; Q157-L161 WeakPolarHBondContact O-CG 3.37Å; Q157-L161 PolarHBondContact O-N 2.61Å; Q157-Y198 HydrophobicContact CB-CE1 3.86Å; Q157-Y198 HydrophobicContact CG-CE1 4.1Å
158	I	88.9	Confident	86.5	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-42	177.7	-68.7	-74.4	0	0	0	110.7	M154 E155 L161 K162 A168 M170 Y198	M154-I158 WeakPolarHBondContact O-CB 3.33Å; M154-I158 WeakPolarHBondContact O-CG1 2.72Å; M154-I158 PolarHBondContact O-N 2.88Å; E155-I158 PolarHBondContact O-N 2.97Å; I158-L161 PolarHBondContact O-N 3.29Å; I158-K162 HydrophobicContact CG2-CD 4Å; I158-K162 HydrophobicContact CG2-CG 4.41Å; I158-K162 WeakPolarHBondContact O-CB 3.49Å; I158-K162 VanDerWaalsContact O-CG 3.28Å; I158-K162 WeakPolarHBondContact O-CG 3.45Å; I158-K162 PolarHBondContact O-N 3.47Å; I158-A168 HydrophobicContact CD1-CB 3.67Å; I158-M170 HydrophobicContact CD1-CB 4.43Å; I158-M170 HydrophobicContact CG1-CB 4.3Å; I158-Y198 HydrophobicContact CD1-CD2 3.78Å; I158-Y198 HydrophobicContact CD1-CE2 4.2Å; I158-Y198 HydrophobicContact CG1-CD2 4.33Å
159	M	84.3	Confident	86.6	Confident	135 Å²	135	49.5 Å²	49.5	67%	0.665	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-46	177.2	-171.4	-176.5	-61.4	0	0	110.9	E155 D156 K162 S163	E155-M159 WeakPolarHBondContact O-CB 3.32Å; E155-M159 PolarHBondContact O-N 3.15Å; D156-M159 PolarHBondContact O-N 3.38Å; M159-K162 PolarHBondContact O-N 3.41Å; M159-S163 PolarHBondContact O-N 3.28Å
160	H	86.2	Confident	87	Confident	83 Å²	83	51.3 Å²	51.3	38%	0.384	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-50.6	175.2	178.3	61.3	0	0	0	111.8	D156 Q157 K162 S163 V164	D156-H160 PolarHBondContact O-N 3.02Å; Q157-H160 PolarHBondContact O-N 3.22Å; H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 3.48Å; H160-S163 WeakPolarHBondContact O-CB 3.29Å; H160-S163 PolarHBondContact O-N 3.16Å; H160-S163 PolarHBondContact O-OG 3.23Å; H160-V164 PolarHBondContact O-N 3.31Å
161	L	91	Very high	87.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-38.1	-179.2	-70.9	169.5	0	0	0	112.5	F97 Q134 Q157 I158 V164 G165 I166 A168 M196 Y198	F97-L161 HydrophobicContact CE1-CD2 4.46Å; Q134-L161 HydrophobicContact CG-CD2 4.32Å; Q157-L161 WeakPolarHBondContact O-CB 3.44Å; Q157-L161 VanDerWaalsContact O-CG 3.23Å; Q157-L161 WeakPolarHBondContact O-CG 3.37Å; Q157-L161 PolarHBondContact O-N 2.61Å; I158-L161 PolarHBondContact O-N 3.29Å; L161-V164 WeakPolarHBondContact O-CG2 3.32Å; L161-V164 PolarHBondContact O-N 3.18Å; L161-G165 PolarHBondContact O-N 3.24Å; L161-I166 CarbonylContact C-O 3.54Å; L161-I166 HydrophobicContact CB-CB 4.37Å; L161-I166 HydrophobicContact CD2-CB 4.11Å; L161-I166 HydrophobicContact CD2-CD1 3.99Å; L161-I166 HydrophobicContact CD2-CG2 4.13Å; L161-I166 PolarHBondContact O-N 2.68Å; L161-A168 HydrophobicContact CB-CB 4.12Å; L161-A168 HydrophobicContact CD1-CB 3.63Å; L161-M196 HydrophobicContact CD1-CE 4.01Å; L161-M196 HydrophobicContact CD1-SD 3.69Å; L161-M196 HydrophobicContact CD2-CE 3.68Å; L161-M196 HydrophobicContact CD2-SD 4.38Å; L161-Y198 HydrophobicContact CD1-CE2 3.85Å
162	K	89.1	Confident	87.6	Confident	141 Å²	141	46.9 Å²	46.9	61%	0.613	27%	0.266	S	S	*	.	H	α-helix	trans	-63.5	-40.4	172.8	-76.2	175.8	178.2	179.5	0	112.3	I158 M159 H160 V164 G165	I158-K162 HydrophobicContact CG2-CD 4Å; I158-K162 HydrophobicContact CG2-CG 4.41Å; I158-K162 WeakPolarHBondContact O-CB 3.49Å; I158-K162 VanDerWaalsContact O-CG 3.28Å; I158-K162 WeakPolarHBondContact O-CG 3.45Å; I158-K162 PolarHBondContact O-N 3.47Å; M159-K162 PolarHBondContact O-N 3.41Å; H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 3.48Å; K162-V164 PolarHBondContact O-N 3.06Å; K162-G165 PolarHBondContact O-N 3.49Å
163	S	86.4	Confident	87.9	Confident	92 Å²	92	49.2 Å²	49.2	64%	0.643	29%	0.289	S	S	*	.	H	α-helix	trans	-63.5	-28.9	179	76.7	0	0	0	0	113.1	M159 H160	M159-S163 PolarHBondContact O-N 3.28Å; H160-S163 WeakPolarHBondContact O-CB 3.29Å; H160-S163 PolarHBondContact O-N 3.16Å; H160-S163 PolarHBondContact O-OG 3.23Å
164	V	88.6	Confident	87.7	Confident	41 Å²	41	52.9 Å²	52.9	25%	0.248	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	9.5	175.6	-61.2	0	0	0	0	113.3	S96 H160 L161 K162 I166	S96-V164 WeakPolarHBondContact O-CB 3.38Å; H160-V164 PolarHBondContact O-N 3.31Å; L161-V164 WeakPolarHBondContact O-CG2 3.32Å; L161-V164 PolarHBondContact O-N 3.18Å; K162-V164 PolarHBondContact O-N 3.06Å; V164-I166 VanDerWaalsContact C-N 3.31Å; V164-I166 HydrophobicContact CG2-CB 4.31Å; V164-I166 HydrophobicContact CG2-CD1 3.68Å; V164-I166 HydrophobicContact CG2-CG1 3.91Å; V164-I166 PolarHBondContact O-N 3.01Å
165	G	89.8	Confident	87.6	Confident	62 Å²	62	54 Å²	54	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	16.8	176.5	0	0	0	0	0	115.3	L161 K162 P167	L161-G165 PolarHBondContact O-N 3.24Å; K162-G165 PolarHBondContact O-N 3.49Å; G165-P167 WeakPolarHBondContact O-CD 3.25Å
166	I	92.4	Very high	87.9	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.051	33%	0.326	C	S	.	.			trans	-90.7	119.3	177.9	-62.9	169.3	0	0	0	109.5	F97 V138 L161 V164 A168 K195 M196	F97-I166 HydrophobicContact CE1-CD1 3.83Å; F97-I166 HydrophobicContact CE2-CD1 3.88Å; F97-I166 HydrophobicContact CZ-CD1 3.39Å; V138-I166 HydrophobicContact CG2-CD1 3.78Å; V138-I166 HydrophobicContact CG2-CG1 4.23Å; V138-I166 HydrophobicContact CG2-CG2 4.08Å; L161-I166 CarbonylContact C-O 3.54Å; L161-I166 HydrophobicContact CB-CB 4.37Å; L161-I166 HydrophobicContact CD2-CB 4.11Å; L161-I166 HydrophobicContact CD2-CD1 3.99Å; L161-I166 HydrophobicContact CD2-CG2 4.13Å; L161-I166 PolarHBondContact O-N 2.68Å; V164-I166 VanDerWaalsContact C-N 3.31Å; V164-I166 HydrophobicContact CG2-CB 4.31Å; V164-I166 HydrophobicContact CG2-CD1 3.68Å; V164-I166 HydrophobicContact CG2-CG1 3.91Å; V164-I166 PolarHBondContact O-N 3.01Å; I166-A168 PolarHBondContact O-N 2.99Å; I166-K195 HydrophobicContact CG2-CB 4.34Å; I166-M196 HydrophobicContact CG2-CE 3.89Å
167	P	93.1	Very high	88.3	Confident	75 Å²	75	59.1 Å²	59.1	49%	0.487	35%	0.351	S	S	.	.			trans	-71.3	114.8	-179.6	-16.8	31.1	0	0	0	111.2	G165 P193 F194 K195	G165-P167 WeakPolarHBondContact O-CD 3.25Å; P167-P193 WeakPolarHBondContact CB-O 3.37Å; P167-F194 WeakPolarHBondContact O-CA 3.41Å; P167-K195 PolarHBondContact O-N 3.15Å
168	A	94.8	Very high	88.4	Confident	9 Å²	9	64.8 Å²	64.8	7%	0.074	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.5	177.2	0	0	0	0	0	110.4	I158 L161 I166 M196 Y198	I158-A168 HydrophobicContact CD1-CB 3.67Å; L161-A168 HydrophobicContact CB-CB 4.12Å; L161-A168 HydrophobicContact CD1-CB 3.63Å; I166-A168 PolarHBondContact O-N 2.99Å; A168-M196 WeakPolarHBondContact CA-O 3.48Å; A168-M196 HydrophobicContact CB-CB 4.08Å; A168-Y198 HydrophobicContact CB-CE2 4.45Å
169	V	94.4	Very high	88.5	Confident	30 Å²	30	67.3 Å²	67.3	18%	0.182	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.2	-177.7	-64.2	0	0	0	0	110.6	V183 F194 M196 V197 Y198	V169-V183 HydrophobicContact CB-CG2 4.02Å; V169-V183 HydrophobicContact CG1-CG2 4.31Å; V169-V183 HydrophobicContact CG2-CG1 3.8Å; V169-V183 HydrophobicContact CG2-CG2 4.08Å; V169-F194 HydrophobicContact CG1-CB 4.37Å; V169-F194 HydrophobicContact CG1-CD1 4.04Å; V169-F194 HydrophobicContact CG1-CG 4.44Å; V169-F194 HydrophobicContact CG2-CB 4.28Å; V169-F194 HydrophobicContact CG2-CD1 3.69Å; V169-F194 HydrophobicContact CG2-CD2 4.23Å; V169-F194 HydrophobicContact CG2-CE1 4.05Å; V169-F194 HydrophobicContact CG2-CG 3.79Å; V169-F194 HydrophobicContact CG2-CZ 4.48Å; V169-M196 PolarHBondContact N-O 3.05Å; V169-V197 HydrophobicContact CG2-CB 4.37Å; V169-V197 HydrophobicContact CG2-CG1 4.3Å; V169-V197 HydrophobicContact CG2-CG2 3.91Å; V169-V197 CarbonylContact O-C 3.46Å; V169-V197 WeakPolarHBondContact O-CA 3.13Å; V169-Y198 PolarHBondContact O-N 2.93Å
170	M	93.2	Very high	88.8	Confident	42 Å²	42	62.2 Å²	62.2	21%	0.207	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.1	172.6	67.7	176.1	-177.7	0	0	111.3	M154 E155 I158 H179 Y198	M154-M170 HydrophobicContact CB-SD 4.2Å; M154-M170 HydrophobicContact SD-CB 4.41Å; E155-M170 HydrophobicContact CG-CE 3.92Å; E155-M170 HydrophobicContact CG-SD 3.99Å; I158-M170 HydrophobicContact CD1-CB 4.43Å; I158-M170 HydrophobicContact CG1-CB 4.3Å; M170-H179 PolarHBondContact O-NE2 3.14Å; M170-Y198 CarbonylContact C-O 3.56Å; M170-Y198 VanDerWaalsContact CA-O 3.29Å; M170-Y198 WeakPolarHBondContact CA-O 3.25Å
171	L	90.4	Very high	89.1	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.2	171.3	-71	173.3	0	0	0	109.5	V183 M184 V197 Y198 V199 L210	L171-V183 HydrophobicContact CD1-CB 4.32Å; L171-V183 HydrophobicContact CD1-CG1 3.66Å; L171-V183 HydrophobicContact CD2-CB 3.98Å; L171-V183 HydrophobicContact CD2-CG1 4.13Å; L171-V183 HydrophobicContact CD2-CG2 4.18Å; L171-V183 HydrophobicContact CG-CB 4.29Å; L171-V183 HydrophobicContact CG-CG1 3.86Å; L171-M184 HydrophobicContact CD1-CE 3.77Å; L171-M184 HydrophobicContact CD1-SD 4.4Å; L171-V197 HydrophobicContact CD1-CG1 4.45Å; L171-Y198 PolarHBondContact N-O 3.14Å; L171-V199 HydrophobicContact CB-CG1 4.23Å; L171-L210 HydrophobicContact CD1-CD1 4.41Å
172	N	84.3	Confident	89.1	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.021	41%	0.413	C	S	.	.			trans	-127.5	-175.1	179.6	63.7	18.5	0	0	0	110.8	V151 M154 S174 S175 K203	V151-N172 WeakPolarHBondContact CG1-ND2 3.24Å; V151-N172 HydrophobicContact CG2-CB 4.22Å; M154-N172 HydrophobicContact CE-CB 4.09Å; N172-S174 VanDerWaalsContact C-N 3.34Å; N172-S174 PolarHBondContact ND2-OG 3.1Å; N172-S174 PolarHBondContact OD1-N 2.88Å; N172-S174 PolarHBondContact OD1-OG 3.5Å; N172-S175 PolarHBondContact N-OG 2.81Å; N172-S175 PolarHBondContact O-OG 3.34Å; N172-S175 PolarHBondContact OD1-N 2.64Å; N172-S175 PolarHBondContact OD1-OG 3.37Å; N172-K203 WeakPolarHBondContact O-CE 3.32Å; N172-K203 PolarHBondContact O-NZ 3.46Å
173	A	80.1	Confident	89.3	Confident	97 Å²	97	65.3 Å²	65.3	80%	0.802	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.7	178.8	0	0	0	0	0	113.1	S175	A173-S175 VanDerWaalsContact C-N 3.34Å
174	S	78.5	Confident	89.5	Confident	98 Å²	98	61.8 Å²	61.8	69%	0.685	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.6	-179.8	50.4	0	0	0	0	114.2	N172	N172-S174 VanDerWaalsContact C-N 3.34Å; N172-S174 PolarHBondContact ND2-OG 3.1Å; N172-S174 PolarHBondContact OD1-N 2.88Å; N172-S174 PolarHBondContact OD1-OG 3.5Å
175	S	83.8	Confident	89.6	Confident	25 Å²	25	62.4 Å²	62.4	18%	0.175	37%	0.367	C	S	.	.			trans	-65.1	134	-179.7	-66.1	0	0	0	0	111.4	N172 A173	N172-S175 PolarHBondContact N-OG 2.81Å; N172-S175 PolarHBondContact O-OG 3.34Å; N172-S175 PolarHBondContact OD1-N 2.64Å; N172-S175 PolarHBondContact OD1-OG 3.37Å; A173-S175 VanDerWaalsContact C-N 3.34Å
176	S	88.5	Confident	89.7	Confident	66 Å²	66	59.7 Å²	59.7	46%	0.462	34%	0.339	S	S	.	.			trans	-61.9	153.9	176.2	77.5	0	0	0	0	111.4	E178 H179 S180	S176-E178 PolarHBondContact O-N 2.78Å; S176-H179 PolarHBondContact O-N 2.65Å; S176-H179 VanDerWaalsContact OG-CB 3.29Å; S176-H179 WeakPolarHBondContact OG-CB 3.42Å; S176-H179 PolarHBondContact OG-N 3.08Å; S176-H179 VanDerWaalsContact OG-N 3.14Å; S176-S180 WeakPolarHBondContact O-CB 3.49Å; S176-S180 PolarHBondContact O-N 3.17Å; S176-S180 PolarHBondContact O-OG 3.37Å
177	K	88.3	Confident	89.7	Confident	182 Å²	182	59.2 Å²	59.2	79%	0.791	34%	0.337	S	S	*	.	H	α-helix	trans	-61.2	-36.2	178	-69.8	179.9	-178.9	173.9	0	111.6	K181	K177-K181 VanDerWaalsContact O-CG 3.32Å; K177-K181 WeakPolarHBondContact O-CG 3.47Å; K177-K181 PolarHBondContact O-N 3.12Å
178	E	91.2	Very high	89.6	Confident	152 Å²	152	57.8 Å²	57.8	71%	0.71	33%	0.327	S	S	*	.	H	α-helix	trans	-67.6	-50.7	178.6	-67.6	171.8	-175.3	0	0	111.5	S176 S180 K181 L182	S176-E178 PolarHBondContact O-N 2.78Å; E178-S180 VanDerWaalsContact C-N 3.31Å; E178-S180 PolarHBondContact O-N 2.79Å; E178-K181 PolarHBondContact O-N 3.11Å; E178-K181 VanDerWaalsContact O-N 3.15Å; E178-L182 WeakPolarHBondContact O-CG 3.22Å; E178-L182 PolarHBondContact O-N 2.73Å
179	H	91.1	Very high	89.3	Confident	65 Å²	65	60.9 Å²	60.9	30%	0.301	34%	0.342	S	S	.	.	H	α-helix	trans	-58	-45	175.5	179.6	68	0	0	0	111.5	M170 S176 K181 L182 V183	M170-H179 PolarHBondContact O-NE2 3.14Å; S176-H179 PolarHBondContact O-N 2.65Å; S176-H179 VanDerWaalsContact OG-CB 3.29Å; S176-H179 WeakPolarHBondContact OG-CB 3.42Å; S176-H179 PolarHBondContact OG-N 3.08Å; S176-H179 VanDerWaalsContact OG-N 3.14Å; H179-K181 VanDerWaalsContact C-N 3.33Å; H179-K181 PolarHBondContact O-N 3Å; H179-L182 PolarHBondContact O-N 2.79Å; H179-V183 WeakPolarHBondContact O-CG2 3.23Å; H179-V183 PolarHBondContact O-N 2.73Å
180	S	90.8	Very high	88.8	Confident	27 Å²	27	65.5 Å²	65.5	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-59.9	-42.7	177.3	-60	0	0	0	0	112	S176 E178 M184	S176-S180 WeakPolarHBondContact O-CB 3.49Å; S176-S180 PolarHBondContact O-N 3.17Å; S176-S180 PolarHBondContact O-OG 3.37Å; E178-S180 VanDerWaalsContact C-N 3.31Å; E178-S180 PolarHBondContact O-N 2.79Å; S180-M184 WeakPolarHBondContact O-CB 3.46Å; S180-M184 WeakPolarHBondContact O-CG 3.44Å; S180-M184 PolarHBondContact O-N 2.97Å
181	K	90.5	Very high	88.2	Confident	159 Å²	159	72.5 Å²	72.5	69%	0.691	40%	0.399	S	S	*	.	H	α-helix	trans	-64	-43.5	176.1	-77.6	176.3	-179.4	-178.2	0	111.8	K177 E178 H179 M184 A185	K177-K181 VanDerWaalsContact O-CG 3.32Å; K177-K181 WeakPolarHBondContact O-CG 3.47Å; K177-K181 PolarHBondContact O-N 3.12Å; E178-K181 PolarHBondContact O-N 3.11Å; E178-K181 VanDerWaalsContact O-N 3.15Å; H179-K181 VanDerWaalsContact C-N 3.33Å; H179-K181 PolarHBondContact O-N 3Å; K181-M184 PolarHBondContact O-N 2.89Å; K181-A185 WeakPolarHBondContact O-CB 3.4Å; K181-A185 PolarHBondContact O-N 3.01Å
182	L	92	Very high	87.6	Confident	127 Å²	127	73.4 Å²	73.4	67%	0.665	41%	0.405	S	S	*	.	H	α-helix	trans	-60.9	-49.2	178.8	-73.1	169.9	0	0	0	111.6	E178 H179 M184 A185 G186	E178-L182 WeakPolarHBondContact O-CG 3.22Å; E178-L182 PolarHBondContact O-N 2.73Å; H179-L182 PolarHBondContact O-N 2.79Å; L182-M184 PolarHBondContact O-N 3.03Å; L182-A185 PolarHBondContact O-N 3.37Å; L182-G186 PolarHBondContact O-N 3.02Å
183	V	92.4	Very high	87.6	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.024	43%	0.428	C	S	.	.	H	α-helix	trans	-61.8	-47.4	178.1	175.7	0	0	0	0	110.7	V169 L171 H179 A185 G186 M187 F194 V197	V169-V183 HydrophobicContact CB-CG2 4.02Å; V169-V183 HydrophobicContact CG1-CG2 4.31Å; V169-V183 HydrophobicContact CG2-CG1 3.8Å; V169-V183 HydrophobicContact CG2-CG2 4.08Å; L171-V183 HydrophobicContact CD1-CB 4.32Å; L171-V183 HydrophobicContact CD1-CG1 3.66Å; L171-V183 HydrophobicContact CD2-CB 3.98Å; L171-V183 HydrophobicContact CD2-CG1 4.13Å; L171-V183 HydrophobicContact CD2-CG2 4.18Å; L171-V183 HydrophobicContact CG-CB 4.29Å; L171-V183 HydrophobicContact CG-CG1 3.86Å; H179-V183 WeakPolarHBondContact O-CG2 3.23Å; H179-V183 PolarHBondContact O-N 2.73Å; V183-A185 VanDerWaalsContact C-N 3.29Å; V183-A185 PolarHBondContact O-N 2.64Å; V183-G186 PolarHBondContact O-N 2.77Å; V183-G186 VanDerWaalsContact O-N 3.12Å; V183-M187 WeakPolarHBondContact O-CG 3.22Å; V183-M187 PolarHBondContact O-N 2.98Å; V183-F194 HydrophobicContact CG1-CE1 4.24Å; V183-F194 HydrophobicContact CG1-CZ 4.36Å; V183-V197 HydrophobicContact CG1-CG1 4.42Å
184	M	91.4	Very high	88.2	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.089	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-32.9	-179.7	-67.8	-69.9	-175.8	0	0	113.2	L171 S180 K181 L182 M187 L210 R213	L171-M184 HydrophobicContact CD1-CE 3.77Å; L171-M184 HydrophobicContact CD1-SD 4.4Å; S180-M184 WeakPolarHBondContact O-CB 3.46Å; S180-M184 WeakPolarHBondContact O-CG 3.44Å; S180-M184 PolarHBondContact O-N 2.97Å; K181-M184 PolarHBondContact O-N 2.89Å; L182-M184 PolarHBondContact O-N 3.03Å; M184-M187 HydrophobicContact SD-SD 3.97Å; M184-L210 HydrophobicContact CE-CB 3.88Å; M184-L210 HydrophobicContact CE-CD1 3.84Å; M184-L210 HydrophobicContact CE-CG 4.42Å; M184-L210 HydrophobicContact SD-CD1 4.06Å; M184-R213 HydrophobicContact CB-CG 4.32Å; M184-R213 HydrophobicContact SD-CB 4.23Å; M184-R213 HydrophobicContact SD-CG 3.98Å
185	A	91.1	Very high	89	Confident	53 Å²	53	70.9 Å²	70.9	44%	0.438	37%	0.371	S	S	.	.	H	α-helix	trans	-69.3	-45.2	172.4	0	0	0	0	0	110.9	K181 L182 V183 M187 T188 D189	K181-A185 WeakPolarHBondContact O-CB 3.4Å; K181-A185 PolarHBondContact O-N 3.01Å; L182-A185 PolarHBondContact O-N 3.37Å; V183-A185 VanDerWaalsContact C-N 3.29Å; V183-A185 PolarHBondContact O-N 2.64Å; A185-M187 VanDerWaalsContact C-N 3.28Å; A185-M187 PolarHBondContact O-N 3.3Å; A185-T188 PolarHBondContact O-N 3.33Å; A185-T188 VanDerWaalsContact O-N 3.1Å; A185-T188 PolarHBondContact O-OG1 2.8Å; A185-D189 PolarHBondContact O-N 3.03Å
186	G	91.2	Very high	89.5	Confident	5 Å²	5	69.7 Å²	69.7	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-30.8	177.7	0	0	0	0	0	114.2	L182 V183 T188 D189 P193	L182-G186 PolarHBondContact O-N 3.02Å; V183-G186 PolarHBondContact O-N 2.77Å; V183-G186 VanDerWaalsContact O-N 3.12Å; G186-T188 PolarHBondContact O-N 2.93Å; G186-D189 PolarHBondContact O-N 3.44Å; G186-P193 WeakPolarHBondContact O-CD 3.27Å
187	M	92.5	Very high	89.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.4	176.1	-68.1	175.8	83.9	0	0	113	F143 V183 M184 A185 F194 L210 R213 L214 A217	F143-M187 HydrophobicContact CE1-CB 4.24Å; F143-M187 HydrophobicContact CE1-CG 4.47Å; F143-M187 HydrophobicContact CE2-CE 3.84Å; F143-M187 HydrophobicContact CZ-CB 4.27Å; F143-M187 HydrophobicContact CZ-CE 3.63Å; F143-M187 HydrophobicContact CZ-CG 4.21Å; V183-M187 WeakPolarHBondContact O-CG 3.22Å; V183-M187 PolarHBondContact O-N 2.98Å; M184-M187 HydrophobicContact SD-SD 3.97Å; A185-M187 VanDerWaalsContact C-N 3.28Å; A185-M187 PolarHBondContact O-N 3.3Å; M187-F194 HydrophobicContact CB-CZ 4.37Å; M187-F194 HydrophobicContact CG-CE2 4.18Å; M187-F194 HydrophobicContact CG-CZ 3.66Å; M187-L210 HydrophobicContact CE-CD1 3.9Å; M187-L210 HydrophobicContact SD-CD1 4.04Å; M187-R213 HydrophobicContact SD-CB 4.4Å; M187-L214 HydrophobicContact CE-CD2 3.35Å; M187-L214 HydrophobicContact CE-CG 3.82Å; M187-A217 WeakPolarHBondContact O-CB 3.08Å
188	T	90.8	Very high	90.3	Very high	45 Å²	45	58 Å²	58	28%	0.276	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-1.5	-179.4	50	0	0	0	0	113.4	A185 G186 R213 K216	A185-T188 PolarHBondContact O-N 3.33Å; A185-T188 VanDerWaalsContact O-N 3.1Å; A185-T188 PolarHBondContact O-OG1 2.8Å; G186-T188 PolarHBondContact O-N 2.93Å; T188-R213 PolarHBondContact OG1-NH1 3.34Å; T188-R213 VanDerWaalsContact OG1-NH1 3.13Å; T188-K216 HydrophobicContact CG2-CB 3.79Å; T188-K216 HydrophobicContact CG2-CD 4.28Å
189	D	89.6	Confident	90.5	Very high	74 Å²	74	50.8 Å²	50.8	40%	0.396	27%	0.27	S	S	.	.			trans	-81.8	132.9	178.5	-169.8	-19	0	0	0	110.3	A185 G186 K191 V192 L222	A185-D189 PolarHBondContact O-N 3.03Å; G186-D189 PolarHBondContact O-N 3.44Å; D189-K191 PolarHBondContact O-N 3.28Å; D189-K191 PolarHBondContact OD1-N 3.07Å; D189-V192 WeakPolarHBondContact O-CG2 3.4Å; D189-V192 PolarHBondContact O-N 2.92Å; D189-V192 VanDerWaalsContact O-N 3.08Å; D189-L222 WeakPolarHBondContact O-CD1 3.28Å
190	V	82.4	Confident	90.6	Very high	127 Å²	127	48.3 Å²	48.3	77%	0.77	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.4	177.5	-176.9	0	0	0	0	111.7	V192	V190-V192 VanDerWaalsContact C-N 3.25Å; V190-V192 PolarHBondContact O-N 3.45Å
191	K	81.4	Confident	90.6	Very high	189 Å²	189	47 Å²	47	82%	0.822	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.6	177.7	-68.4	-175.3	179.9	-179.1	0	113.4	D189	D189-K191 PolarHBondContact O-N 3.28Å; D189-K191 PolarHBondContact OD1-N 3.07Å
192	V	77.5	Confident	90.7	Very high	25 Å²	25	41.4 Å²	41.4	15%	0.152	23%	0.227	C	C	.	.			trans	41.9	91.9	-179.5	-164.1	0	0	0	0	112.8	F143 D189 V190 F194 L222	F143-V192 HydrophobicContact CB-CG1 4.14Å; F143-V192 HydrophobicContact CD1-CG1 4.16Å; D189-V192 WeakPolarHBondContact O-CG2 3.4Å; D189-V192 PolarHBondContact O-N 2.92Å; D189-V192 VanDerWaalsContact O-N 3.08Å; V190-V192 VanDerWaalsContact C-N 3.25Å; V190-V192 PolarHBondContact O-N 3.45Å; V192-F194 WeakPolarHBondContact CG1-O 3.36Å; V192-F194 PolarHBondContact O-N 3.3Å; V192-L222 HydrophobicContact CG2-CD1 4.27Å; V192-L222 HydrophobicContact CG2-CD2 3.76Å; V192-L222 HydrophobicContact CG2-CG 4.4Å
193	P	84.8	Confident	90.6	Very high	76 Å²	76	38.4 Å²	38.4	49%	0.494	21%	0.208	S	C	.	.	S	Bend	trans	-70.6	-4.5	-173.2	27.8	-32.7	0	0	0	114.4	P167 G186	P167-P193 WeakPolarHBondContact CB-O 3.37Å; G186-P193 WeakPolarHBondContact O-CD 3.27Å
194	F	92.2	Very high	90.6	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.031	21%	0.208	C	C	.	.			trans	-143.7	151.2	-177.9	46.2	-105.6	0	0	0	113	F143 P167 V169 V183 M187 V192 V197	F143-F194 HydrophobicContact CB-CD2 3.9Å; F143-F194 HydrophobicContact CB-CE2 4.03Å; F143-F194 HydrophobicContact CD1-CE2 4.03Å; F143-F194 HydrophobicContact CD2-CE2 4.27Å; F143-F194 HydrophobicContact CG-CD2 4.23Å; F143-F194 AromaticContact CG-CE2 3.85Å; F143-F194 HydrophobicContact CG-CE2 3.85Å; P167-F194 WeakPolarHBondContact O-CA 3.41Å; V169-F194 HydrophobicContact CG1-CB 4.37Å; V169-F194 HydrophobicContact CG1-CD1 4.04Å; V169-F194 HydrophobicContact CG1-CG 4.44Å; V169-F194 HydrophobicContact CG2-CB 4.28Å; V169-F194 HydrophobicContact CG2-CD1 3.69Å; V169-F194 HydrophobicContact CG2-CD2 4.23Å; V169-F194 HydrophobicContact CG2-CE1 4.05Å; V169-F194 HydrophobicContact CG2-CG 3.79Å; V169-F194 HydrophobicContact CG2-CZ 4.48Å; V183-F194 HydrophobicContact CG1-CE1 4.24Å; V183-F194 HydrophobicContact CG1-CZ 4.36Å; M187-F194 HydrophobicContact CB-CZ 4.37Å; M187-F194 HydrophobicContact CG-CE2 4.18Å; M187-F194 HydrophobicContact CG-CZ 3.66Å; V192-F194 WeakPolarHBondContact CG1-O 3.36Å; V192-F194 PolarHBondContact O-N 3.3Å; F194-V197 HydrophobicContact CD2-CG2 3.4Å; F194-V197 HydrophobicContact CE2-CG2 3.12Å; F194-V197 HydrophobicContact CG-CG2 4.33Å; F194-V197 HydrophobicContact CZ-CG2 3.84Å
195	K	95	Very high	90.4	Very high	62 Å²	62	39.3 Å²	39.3	27%	0.27	22%	0.218	S	C	.	.	S	Bend	trans	-91.6	-22.3	174.9	-69.5	-63.8	-167.6	153.1	0	113.1	V138 S140 F143 T144 I166 P167	V138-K195 PolarHBondContact O-NZ 3.49Å; S140-K195 PolarHBondContact O-NZ 3.33Å; F143-K195 CarbonylContact C-O 3.53Å; F143-K195 VanDerWaalsContact CA-O 3.32Å; F143-K195 WeakPolarHBondContact CA-O 3.46Å; T144-K195 PolarHBondContact N-O 3.22Å; I166-K195 HydrophobicContact CG2-CB 4.34Å; P167-K195 PolarHBondContact O-N 3.15Å
196	M	95.9	Very high	90.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.3	-176.2	-62.3	177.7	-127.3	0	0	112	F133 Q134 A137 V138 T144 L161 I166 A168 V169 Y198	F133-M196 HydrophobicContact CE2-SD 4.43Å; Q134-M196 HydrophobicContact CB-CE 3.87Å; Q134-M196 HydrophobicContact CB-SD 4.29Å; Q134-M196 HydrophobicContact CG-CE 3.96Å; Q134-M196 HydrophobicContact CG-SD 3.8Å; A137-M196 HydrophobicContact CB-CE 4.02Å; A137-M196 HydrophobicContact CB-CG 3.81Å; A137-M196 HydrophobicContact CB-SD 4.24Å; V138-M196 HydrophobicContact CG2-CE 4.4Å; T144-M196 WeakPolarHBondContact O-CA 3.43Å; L161-M196 HydrophobicContact CD1-CE 4.01Å; L161-M196 HydrophobicContact CD1-SD 3.69Å; L161-M196 HydrophobicContact CD2-CE 3.68Å; L161-M196 HydrophobicContact CD2-SD 4.38Å; I166-M196 HydrophobicContact CG2-CE 3.89Å; A168-M196 WeakPolarHBondContact CA-O 3.48Å; A168-M196 HydrophobicContact CB-CB 4.08Å; V169-M196 PolarHBondContact N-O 3.05Å; M196-Y198 HydrophobicContact CB-CD2 4.46Å; M196-Y198 HydrophobicContact CB-CE2 3.96Å; M196-Y198 HydrophobicContact SD-CE2 4.4Å
197	V	96.1	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	113	174.4	-175.5	0	0	0	0	109	F143 T144 L145 V146 V169 L171 V183 F194 V199	F143-V197 HydrophobicContact CD2-CB 4.31Å; F143-V197 HydrophobicContact CD2-CG2 3.66Å; F143-V197 HydrophobicContact CE2-CG2 4.07Å; F143-V197 HydrophobicContact CG-CG2 4.27Å; T144-V197 PolarHBondContact O-N 2.87Å; L145-V197 HydrophobicContact CD1-CB 4.39Å; L145-V197 HydrophobicContact CD1-CG1 4.42Å; V146-V197 PolarHBondContact N-O 2.62Å; V169-V197 HydrophobicContact CG2-CB 4.37Å; V169-V197 HydrophobicContact CG2-CG1 4.3Å; V169-V197 HydrophobicContact CG2-CG2 3.91Å; V169-V197 CarbonylContact O-C 3.46Å; V169-V197 WeakPolarHBondContact O-CA 3.13Å; L171-V197 HydrophobicContact CD1-CG1 4.45Å; V183-V197 HydrophobicContact CG1-CG1 4.42Å; F194-V197 HydrophobicContact CD2-CG2 3.4Å; F194-V197 HydrophobicContact CE2-CG2 3.12Å; F194-V197 HydrophobicContact CG-CG2 4.33Å; F194-V197 HydrophobicContact CZ-CG2 3.84Å; V197-V199 HydrophobicContact CG1-CG1 4.03Å
198	Y	96.2	Very high	90.4	Very high	4 Å²	4	54 Å²	54	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.4	176.6	-71.8	-101	0	0	0	110.7	Q134 V146 T148 M154 Q157 I158 L161 A168 V169 M170 L171 M196	Q134-Y198 PolarHBondContact NE2-OH 2.71Å; V146-Y198 HydrophobicContact CB-CD1 3.77Å; V146-Y198 HydrophobicContact CB-CE1 3.88Å; V146-Y198 HydrophobicContact CB-CG 4.16Å; V146-Y198 HydrophobicContact CG1-CD1 3.69Å; V146-Y198 HydrophobicContact CG1-CE1 3.56Å; V146-Y198 HydrophobicContact CG2-CD1 4.48Å; V146-Y198 HydrophobicContact CG2-CE1 4.21Å; V146-Y198 HydrophobicContact CG2-CE2 4.46Å; V146-Y198 CarbonylContact O-C 3.39Å; V146-Y198 WeakPolarHBondContact O-CA 3.41Å; T148-Y198 HydrophobicContact CG2-CD1 4.26Å; M154-Y198 HydrophobicContact CG-CD1 4.13Å; M154-Y198 HydrophobicContact CG-CG 4.39Å; Q157-Y198 HydrophobicContact CB-CE1 3.86Å; Q157-Y198 HydrophobicContact CG-CE1 4.1Å; I158-Y198 HydrophobicContact CD1-CD2 3.78Å; I158-Y198 HydrophobicContact CD1-CE2 4.2Å; I158-Y198 HydrophobicContact CG1-CD2 4.33Å; L161-Y198 HydrophobicContact CD1-CE2 3.85Å; A168-Y198 HydrophobicContact CB-CE2 4.45Å; V169-Y198 PolarHBondContact O-N 2.93Å; M170-Y198 CarbonylContact C-O 3.56Å; M170-Y198 VanDerWaalsContact CA-O 3.29Å; M170-Y198 WeakPolarHBondContact CA-O 3.25Å; L171-Y198 PolarHBondContact N-O 3.14Å; M196-Y198 HydrophobicContact CB-CD2 4.46Å; M196-Y198 HydrophobicContact CB-CE2 3.96Å; M196-Y198 HydrophobicContact SD-CE2 4.4Å
199	V	95.5	Very high	90.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.7	179.8	-56.2	0	0	0	0	111	L145 V146 I147 T148 L171 V197 V204 L210	L145-V199 HydrophobicContact CD1-CG1 3.92Å; L145-V199 HydrophobicContact CD1-CG2 3.82Å; L145-V199 HydrophobicContact CG-CG2 4.42Å; V146-V199 PolarHBondContact O-N 3.49Å; I147-V199 WeakPolarHBondContact CA-O 3.21Å; I147-V199 HydrophobicContact CG1-CG2 3.9Å; T148-V199 PolarHBondContact N-O 3.43Å; T148-V199 VanDerWaalsContact N-O 3.09Å; L171-V199 HydrophobicContact CB-CG1 4.23Å; V197-V199 HydrophobicContact CG1-CG1 4.03Å; V199-V204 HydrophobicContact CG2-CG2 3.64Å; V199-L210 HydrophobicContact CG1-CD2 4.32Å
200	T	92.9	Very high	90.6	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.08	27%	0.268	C	S	.	.			trans	-83.6	154.8	169.1	79.6	0	0	0	0	110.7	V151 M154 E202 K203 V204	V151-T200 HydrophobicContact CG2-CG2 4.41Å; M154-T200 HydrophobicContact CE-CG2 3.51Å; T200-E202 WeakPolarHBondContact CB-OE2 3.25Å; T200-E202 PolarHBondContact O-N 3.21Å; T200-E202 PolarHBondContact OG1-OE2 2.85Å; T200-K203 WeakPolarHBondContact O-CB 3.4Å; T200-K203 PolarHBondContact O-N 3.32Å; T200-K203 VanDerWaalsContact O-N 3.08Å; T200-K203 PolarHBondContact OG1-N 2.94Å; T200-V204 PolarHBondContact O-N 2.82Å
201	P	92.1	Very high	91.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-33.9	176.6	26.5	-38.7	0	0	0	112.7	I147 T148 K203 V204 A205 D244 Y245 L248	I147-P201 HydrophobicContact CG2-CB 4.09Å; T148-P201 WeakPolarHBondContact O-CD 3.49Å; P201-K203 VanDerWaalsContact C-N 3.25Å; P201-K203 PolarHBondContact O-N 3.34Å; P201-V204 PolarHBondContact O-N 3.34Å; P201-A205 WeakPolarHBondContact O-CB 3.48Å; P201-A205 PolarHBondContact O-N 3.49Å; P201-D244 HydrophobicContact CB-CB 3.93Å; P201-D244 HydrophobicContact CG-CB 4.25Å; P201-Y245 HydrophobicContact CB-CD2 3.83Å; P201-Y245 HydrophobicContact CB-CE2 3.94Å; P201-Y245 HydrophobicContact CG-CD2 3.8Å; P201-Y245 HydrophobicContact CG-CE2 3.6Å; P201-L248 HydrophobicContact CB-CD2 4.44Å
202	E	90.9	Very high	91.8	Very high	41 Å²	41	41.6 Å²	41.6	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-35.4	176.9	-60	69.8	-156.9	0	0	111.7	T200 A205 K206 R242 D244	T200-E202 WeakPolarHBondContact CB-OE2 3.25Å; T200-E202 PolarHBondContact O-N 3.21Å; T200-E202 PolarHBondContact OG1-OE2 2.85Å; E202-A205 PolarHBondContact O-N 2.86Å; E202-K206 HydrophobicContact CB-CD 4.41Å; E202-K206 VanDerWaalsContact O-CB 3.24Å; E202-K206 WeakPolarHBondContact O-CB 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.4Å; E202-K206 PolarHBondContact O-N 3.28Å; E202-R242 IonicContact OE1-CZ 3.32Å; E202-R242 IonicContact OE1-NE 2.86Å; E202-R242 PolarHBondContact OE1-NE 3.23Å; E202-R242 IonicContact OE1-NH2 3.99Å; E202-R242 PolarHBondContact OE1-NH2 2.82Å; E202-R242 IonicContact OE2-NH2 2.99Å; E202-R242 PolarHBondContact OE2-NH2 2.87Å; E202-D244 HydrophobicContact CG-CB 4.45Å
203	K	90.6	Very high	92.7	Very high	64 Å²	64	43.7 Å²	43.7	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-67.8	-42.3	178.4	-81.3	-70.8	-174.6	173.6	0	111	N172 T200 P201 S207 L210	N172-K203 WeakPolarHBondContact O-CE 3.32Å; N172-K203 PolarHBondContact O-NZ 3.46Å; T200-K203 WeakPolarHBondContact O-CB 3.4Å; T200-K203 PolarHBondContact O-N 3.32Å; T200-K203 VanDerWaalsContact O-N 3.08Å; T200-K203 PolarHBondContact OG1-N 2.94Å; P201-K203 VanDerWaalsContact C-N 3.25Å; P201-K203 PolarHBondContact O-N 3.34Å; K203-S207 WeakPolarHBondContact O-CB 3.41Å; K203-S207 PolarHBondContact O-N 3.22Å; K203-L210 HydrophobicContact CB-CD2 4.2Å
204	V	91.7	Very high	93.2	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.1	-179	0	0	0	0	110.3	I147 V199 T200 P201 L210 M211 L248 L251	I147-V204 HydrophobicContact CG1-CG2 4.01Å; V199-V204 HydrophobicContact CG2-CG2 3.64Å; T200-V204 PolarHBondContact O-N 2.82Å; P201-V204 PolarHBondContact O-N 3.34Å; V204-L210 HydrophobicContact CG2-CD2 4.4Å; V204-M211 HydrophobicContact CG1-SD 4.01Å; V204-L248 HydrophobicContact CB-CD2 3.9Å; V204-L248 HydrophobicContact CG1-CD2 3.81Å; V204-L248 HydrophobicContact CG2-CD2 4.28Å; V204-L251 HydrophobicContact CG1-CD1 4.2Å; V204-L251 HydrophobicContact CG1-CD2 3.85Å; V204-L251 HydrophobicContact CG1-CG 4.1Å
205	A	89	Confident	93.4	Very high	36 Å²	36	44.5 Å²	44.5	30%	0.298	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-42.9	-178.3	0	0	0	0	0	114	P201 E202 L247	P201-A205 WeakPolarHBondContact O-CB 3.48Å; P201-A205 PolarHBondContact O-N 3.49Å; E202-A205 PolarHBondContact O-N 2.86Å; A205-L247 HydrophobicContact CB-CB 4.09Å; A205-L247 HydrophobicContact CB-CD1 3.49Å; A205-L247 VanDerWaalsContact CB-CD1 3.49Å; A205-L247 HydrophobicContact CB-CG 4.42Å
206	K	89.1	Confident	93.4	Very high	150 Å²	150	46.9 Å²	46.9	65%	0.652	23%	0.227	S	C	*	.	H	α-helix	trans	-103.4	-19.8	-166.4	-60.2	172.9	-174.4	166.8	0	113.6	E202 K208 D244	E202-K206 HydrophobicContact CB-CD 4.41Å; E202-K206 VanDerWaalsContact O-CB 3.24Å; E202-K206 WeakPolarHBondContact O-CB 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.4Å; E202-K206 PolarHBondContact O-N 3.28Å; K206-K208 PolarHBondContact O-N 3.25Å; K206-D244 IonicContact NZ-OD1 2.82Å
207	S	92	Very high	93.4	Very high	27 Å²	27	46.9 Å²	46.9	19%	0.189	23%	0.227	C	C	.	.			trans	-94.5	97.6	-175	-167.2	0	0	0	0	112.8	K203 L209 L210 M211	K203-S207 WeakPolarHBondContact O-CB 3.41Å; K203-S207 PolarHBondContact O-N 3.22Å; S207-L209 PolarHBondContact O-N 2.68Å; S207-L210 PolarHBondContact O-N 2.94Å; S207-L210 PolarHBondContact OG-N 3.28Å; S207-M211 PolarHBondContact O-N 2.83Å
208	K	91.9	Very high	93.4	Very high	190 Å²	190	49.5 Å²	49.5	83%	0.826	24%	0.237	S	C	*	.	H	α-helix	trans	-56.9	-35.8	171.4	-64.8	-175	-179.9	-178.3	0	112.7	K206 M211 S212	K206-K208 PolarHBondContact O-N 3.25Å; K208-M211 PolarHBondContact O-N 2.9Å; K208-S212 WeakPolarHBondContact O-CB 3.37Å; K208-S212 PolarHBondContact O-N 3.26Å
209	L	91.8	Very high	93.3	Very high	99 Å²	99	54.7 Å²	54.7	52%	0.518	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-43.9	178.9	-178.9	62.7	0	0	0	111.8	S207 S212 R213	S207-L209 PolarHBondContact O-N 2.68Å; L209-S212 PolarHBondContact O-N 2.88Å; L209-R213 VanDerWaalsContact O-CG 3.32Å; L209-R213 WeakPolarHBondContact O-CG 3.1Å; L209-R213 PolarHBondContact O-N 3.08Å; L209-R213 VanDerWaalsContact O-N 3.07Å
210	L	93.6	Very high	93.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-48.2	176.6	178.6	60.5	0	0	0	110.7	L171 M184 M187 V199 K203 V204 S207 S212 R213 L214	L171-L210 HydrophobicContact CD1-CD1 4.41Å; M184-L210 HydrophobicContact CE-CB 3.88Å; M184-L210 HydrophobicContact CE-CD1 3.84Å; M184-L210 HydrophobicContact CE-CG 4.42Å; M184-L210 HydrophobicContact SD-CD1 4.06Å; M187-L210 HydrophobicContact CE-CD1 3.9Å; M187-L210 HydrophobicContact SD-CD1 4.04Å; V199-L210 HydrophobicContact CG1-CD2 4.32Å; K203-L210 HydrophobicContact CB-CD2 4.2Å; V204-L210 HydrophobicContact CG2-CD2 4.4Å; S207-L210 PolarHBondContact O-N 2.94Å; S207-L210 PolarHBondContact OG-N 3.28Å; L210-S212 PolarHBondContact O-N 3.33Å; L210-R213 PolarHBondContact O-N 3.5Å; L210-R213 VanDerWaalsContact O-N 3.13Å; L210-L214 HydrophobicContact CD1-CD1 4.31Å; L210-L214 HydrophobicContact CD1-CG 4.34Å; L210-L214 HydrophobicContact CG-CD1 4.06Å; L210-L214 WeakPolarHBondContact O-CG 3.29Å; L210-L214 PolarHBondContact O-N 3.47Å
211	M	94.6	Very high	93.2	Very high	26 Å²	26	65.6 Å²	65.6	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-44.2	179.1	-68.8	-55	-60.3	0	0	112.2	V204 S207 K208 R213 L214 E215 I250 L251 F255	V204-M211 HydrophobicContact CG1-SD 4.01Å; S207-M211 PolarHBondContact O-N 2.83Å; K208-M211 PolarHBondContact O-N 2.9Å; M211-R213 VanDerWaalsContact C-N 3.29Å; M211-R213 PolarHBondContact O-N 3.06Å; M211-L214 PolarHBondContact O-N 2.96Å; M211-L214 HydrophobicContact SD-CD1 4.13Å; M211-E215 PolarHBondContact O-N 3.45Å; M211-I250 HydrophobicContact CE-CG1 4.43Å; M211-I250 HydrophobicContact CE-CG2 4.28Å; M211-L251 HydrophobicContact CE-CD2 4.33Å; M211-L251 HydrophobicContact SD-CD2 4.39Å; M211-F255 HydrophobicContact CE-CE2 4.05Å; M211-F255 HydrophobicContact CE-CZ 4.12Å
212	S	94.9	Very high	93.4	Very high	48 Å²	48	66.5 Å²	66.5	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-34.9	175.7	178.8	0	0	0	0	113	K208 L209 L210 K216	K208-S212 WeakPolarHBondContact O-CB 3.37Å; K208-S212 PolarHBondContact O-N 3.26Å; L209-S212 PolarHBondContact O-N 2.88Å; L210-S212 PolarHBondContact O-N 3.33Å; S212-K216 WeakPolarHBondContact O-CG 3.49Å; S212-K216 PolarHBondContact O-N 3.44Å
213	R	95	Very high	93.6	Very high	69 Å²	69	65 Å²	65	26%	0.26	32%	0.32	S	S	.	.	H	α-helix	trans	-73.5	-39.3	176.2	-68.3	-68.8	179	161.3	-0.8	112.2	M184 M187 T188 L209 L210 M211 E215 K216 A217	M184-R213 HydrophobicContact CB-CG 4.32Å; M184-R213 HydrophobicContact SD-CB 4.23Å; M184-R213 HydrophobicContact SD-CG 3.98Å; M187-R213 HydrophobicContact SD-CB 4.4Å; T188-R213 PolarHBondContact OG1-NH1 3.34Å; T188-R213 VanDerWaalsContact OG1-NH1 3.13Å; L209-R213 VanDerWaalsContact O-CG 3.32Å; L209-R213 WeakPolarHBondContact O-CG 3.1Å; L209-R213 PolarHBondContact O-N 3.08Å; L209-R213 VanDerWaalsContact O-N 3.07Å; L210-R213 PolarHBondContact O-N 3.5Å; L210-R213 VanDerWaalsContact O-N 3.13Å; M211-R213 VanDerWaalsContact C-N 3.29Å; M211-R213 PolarHBondContact O-N 3.06Å; R213-E215 VanDerWaalsContact C-N 3.32Å; R213-K216 PolarHBondContact O-N 2.86Å; R213-A217 WeakPolarHBondContact O-CB 3.09Å; R213-A217 PolarHBondContact O-N 2.82Å
214	L	96.2	Very high	93.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-40.6	173.3	-73.4	169.8	0	0	0	111.6	F143 L145 M187 L210 M211 A217 Y218 L223 F255	F143-L214 HydrophobicContact CE2-CD2 4.2Å; F143-L214 HydrophobicContact CZ-CD2 4.18Å; L145-L214 HydrophobicContact CD1-CD2 4.37Å; L145-L214 HydrophobicContact CD2-CD1 3.85Å; L145-L214 HydrophobicContact CD2-CD2 4Å; M187-L214 HydrophobicContact CE-CD2 3.35Å; M187-L214 HydrophobicContact CE-CG 3.82Å; L210-L214 HydrophobicContact CD1-CD1 4.31Å; L210-L214 HydrophobicContact CD1-CG 4.34Å; L210-L214 HydrophobicContact CG-CD1 4.06Å; L210-L214 WeakPolarHBondContact O-CG 3.29Å; L210-L214 PolarHBondContact O-N 3.47Å; M211-L214 PolarHBondContact O-N 2.96Å; M211-L214 HydrophobicContact SD-CD1 4.13Å; L214-A217 PolarHBondContact O-N 3.34Å; L214-Y218 VanDerWaalsContact O-CB 3.29Å; L214-Y218 WeakPolarHBondContact O-CB 3.41Å; L214-Y218 PolarHBondContact O-N 3.03Å; L214-L223 HydrophobicContact CD2-CD1 4.27Å; L214-L223 HydrophobicContact CD2-CD2 4.29Å; L214-F255 HydrophobicContact CB-CE1 4.49Å; L214-F255 HydrophobicContact CB-CE2 4.02Å; L214-F255 HydrophobicContact CB-CZ 3.64Å; L214-F255 HydrophobicContact CD1-CE2 4.43Å
215	E	96.1	Very high	94	Very high	100 Å²	100	63.1 Å²	63.1	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-44.7	175.3	-172	-177	175.7	0	0	112.4	M211 R213 A217 Y218 N219 F255	M211-E215 PolarHBondContact O-N 3.45Å; R213-E215 VanDerWaalsContact C-N 3.32Å; E215-A217 PolarHBondContact O-N 2.69Å; E215-Y218 WeakPolarHBondContact O-CB 3.48Å; E215-Y218 PolarHBondContact O-N 2.85Å; E215-N219 VanDerWaalsContact O-CG 3.29Å; E215-N219 PolarHBondContact O-N 3.04Å; E215-N219 PolarHBondContact O-ND2 2.96Å; E215-F255 HydrophobicContact CB-CE1 4.35Å
216	K	95.3	Very high	94.5	Very high	112 Å²	112	61.5 Å²	61.5	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-43.4	173.9	-71	178.7	-178.3	-174.1	0	112.1	T188 S212 R213 Y218 N219 A220	T188-K216 HydrophobicContact CG2-CB 3.79Å; T188-K216 HydrophobicContact CG2-CD 4.28Å; S212-K216 WeakPolarHBondContact O-CG 3.49Å; S212-K216 PolarHBondContact O-N 3.44Å; R213-K216 PolarHBondContact O-N 2.86Å; K216-Y218 VanDerWaalsContact C-N 3.34Å; K216-N219 PolarHBondContact O-N 3.4Å; K216-A220 WeakPolarHBondContact O-CB 3.35Å; K216-A220 PolarHBondContact O-N 3Å
217	A	95.3	Very high	94.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-39.6	177.1	0	0	0	0	0	112.1	F143 M187 R213 L214 E215 A220 K221 L222 L223	F143-A217 HydrophobicContact CE1-CB 3.8Å; F143-A217 HydrophobicContact CZ-CB 3.93Å; M187-A217 WeakPolarHBondContact O-CB 3.08Å; R213-A217 WeakPolarHBondContact O-CB 3.09Å; R213-A217 PolarHBondContact O-N 2.82Å; L214-A217 PolarHBondContact O-N 3.34Å; E215-A217 PolarHBondContact O-N 2.69Å; A217-A220 CarbonylContact O-C 3.54Å; A217-A220 PolarHBondContact O-N 3.45Å; A217-K221 PolarHBondContact O-N 3.32Å; A217-K221 VanDerWaalsContact O-N 3.14Å; A217-L222 HydrophobicContact CB-CB 4.32Å; A217-L222 PolarHBondContact O-N 3.06Å; A217-L223 HydrophobicContact CB-CB 4.47Å; A217-L223 PolarHBondContact O-N 3.1Å
218	Y	95.9	Very high	95.1	Very high	55 Å²	55	53.1 Å²	53.1	22%	0.216	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-49.4	175.3	174.3	-107.6	0	0	0	111.6	L214 E215 K216 A220 K221 F255 S257 V258	L214-Y218 VanDerWaalsContact O-CB 3.29Å; L214-Y218 WeakPolarHBondContact O-CB 3.41Å; L214-Y218 PolarHBondContact O-N 3.03Å; E215-Y218 WeakPolarHBondContact O-CB 3.48Å; E215-Y218 PolarHBondContact O-N 2.85Å; K216-Y218 VanDerWaalsContact C-N 3.34Å; Y218-A220 PolarHBondContact O-N 3.18Å; Y218-K221 WeakPolarHBondContact O-CA 3.45Å; Y218-K221 PolarHBondContact O-N 2.97Å; Y218-F255 AromaticContact CD1-CD1 3.95Å; Y218-F255 HydrophobicContact CD1-CD1 3.95Å; Y218-F255 HydrophobicContact CD2-CB 4.05Å; Y218-F255 AromaticContact CD2-CD1 3.94Å; Y218-F255 HydrophobicContact CD2-CD1 3.94Å; Y218-F255 HydrophobicContact CD2-CG 4.37Å; Y218-F255 HydrophobicContact CE2-CB 4.13Å; Y218-F255 AromaticContact CG-CD1 3.59Å; Y218-F255 HydrophobicContact CG-CD1 3.59Å; Y218-F255 HydrophobicContact CG-CE1 4.29Å; Y218-F255 HydrophobicContact CG-CG 4.45Å; Y218-S257 WeakPolarHBondContact CE2-OG 3.22Å; Y218-S257 PolarHBondContact OH-OG 3.41Å; Y218-V258 HydrophobicContact CD2-CG2 3.49Å; Y218-V258 VanDerWaalsContact CD2-CG2 3.49Å; Y218-V258 HydrophobicContact CE2-CG2 3.59Å
219	N	94.7	Very high	95.1	Very high	113 Å²	113	44.9 Å²	44.9	60%	0.604	23%	0.226	S	C	*	.	H	α-helix	trans	-62.1	-33.3	177.3	-68	-21.9	0	0	0	112.3	E215 K216 K221	E215-N219 VanDerWaalsContact O-CG 3.29Å; E215-N219 PolarHBondContact O-N 3.04Å; E215-N219 PolarHBondContact O-ND2 2.96Å; K216-N219 PolarHBondContact O-N 3.4Å; N219-K221 VanDerWaalsContact C-N 3.26Å; N219-K221 PolarHBondContact O-N 3.16Å
220	A	93.6	Very high	95.1	Very high	58 Å²	58	41 Å²	41	48%	0.479	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	2.2	173.9	0	0	0	0	0	114.1	K216 A217 Y218 L222	K216-A220 WeakPolarHBondContact O-CB 3.35Å; K216-A220 PolarHBondContact O-N 3Å; A217-A220 CarbonylContact O-C 3.54Å; A217-A220 PolarHBondContact O-N 3.45Å; Y218-A220 PolarHBondContact O-N 3.18Å; A220-L222 HydrophobicContact CB-CD1 3.98Å; A220-L222 HydrophobicContact CB-CG 3.85Å; A220-L222 PolarHBondContact O-N 2.74Å
221	K	93.8	Very high	95	Very high	183 Å²	183	40.9 Å²	40.9	80%	0.796	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	31.3	-175.8	-55.7	-178	179.6	-179.8	0	113.8	A217 Y218 N219	A217-K221 PolarHBondContact O-N 3.32Å; A217-K221 VanDerWaalsContact O-N 3.14Å; Y218-K221 WeakPolarHBondContact O-CA 3.45Å; Y218-K221 PolarHBondContact O-N 2.97Å; N219-K221 VanDerWaalsContact C-N 3.26Å; N219-K221 PolarHBondContact O-N 3.16Å
222	L	94.9	Very high	94.8	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	20%	0.199	C	C	.	.			trans	-95.2	-20	177.5	-57.6	179.3	0	0	0	112.8	G142 F143 D189 V192 A217 A220 S224	G142-L222 CarbonylContact C-O 3.54Å; G142-L222 WeakPolarHBondContact CA-O 3.12Å; F143-L222 WeakPolarHBondContact CD1-O 3.25Å; F143-L222 HydrophobicContact CE1-CB 4.45Å; F143-L222 PolarHBondContact N-O 3.03Å; D189-L222 WeakPolarHBondContact O-CD1 3.28Å; V192-L222 HydrophobicContact CG2-CD1 4.27Å; V192-L222 HydrophobicContact CG2-CD2 3.76Å; V192-L222 HydrophobicContact CG2-CG 4.4Å; A217-L222 HydrophobicContact CB-CB 4.32Å; A217-L222 PolarHBondContact O-N 3.06Å; A220-L222 HydrophobicContact CB-CD1 3.98Å; A220-L222 HydrophobicContact CB-CG 3.85Å; A220-L222 PolarHBondContact O-N 2.74Å; L222-S224 PolarHBondContact O-N 3.27Å
223	L	95.9	Very high	94.6	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	102.6	173.3	-179.8	61.8	0	0	0	109.3	F143 L145 L214 A217 I226 F255 V258	F143-L223 HydrophobicContact CD2-CD1 4.32Å; F143-L223 HydrophobicContact CE2-CD1 3.74Å; F143-L223 HydrophobicContact CZ-CD1 4.08Å; L145-L223 HydrophobicContact CB-CD1 4Å; L214-L223 HydrophobicContact CD2-CD1 4.27Å; L214-L223 HydrophobicContact CD2-CD2 4.29Å; A217-L223 HydrophobicContact CB-CB 4.47Å; A217-L223 PolarHBondContact O-N 3.1Å; L223-I226 HydrophobicContact CD2-CD1 4.43Å; L223-I226 HydrophobicContact CD2-CG1 4.49Å; L223-F255 HydrophobicContact CD2-CD2 4.11Å; L223-F255 HydrophobicContact CD2-CE2 4.49Å; L223-F255 HydrophobicContact CD2-CG 4.13Å; L223-V258 HydrophobicContact CD2-CG2 4.14Å; L223-V258 HydrophobicContact CG-CG1 4.24Å; L223-V258 HydrophobicContact CG-CG2 4.13Å
224	S	95.1	Very high	94.2	Very high	23 Å²	23	34.3 Å²	34.3	16%	0.161	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-31.5	-173	62	0	0	0	0	113.7	K141 F143 T144 L222 P259	K141-S224 WeakPolarHBondContact O-CB 3.48Å; F143-S224 PolarHBondContact O-N 2.93Å; F143-S224 PolarHBondContact O-OG 2.77Å; F143-S224 VanDerWaalsContact O-OG 3.04Å; T144-S224 PolarHBondContact OG1-OG 2.81Å; L222-S224 PolarHBondContact O-N 3.27Å; S224-P259 WeakPolarHBondContact O-CD 3.43Å
225	R	96.3	Very high	93.8	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	153.2	-173.7	-166.3	170.9	-53.6	-75.1	-5.8	112.2	T113 T144 L145 V227 V258 P259	T113-R225 VanDerWaalsContact C-NH2 3.32Å; T113-R225 PolarHBondContact O-NH1 3.49Å; T113-R225 PolarHBondContact O-NH2 3.17Å; T144-R225 WeakPolarHBondContact CA-O 3.48Å; T144-R225 HydrophobicContact CG2-CB 3.97Å; T144-R225 HydrophobicContact CG2-CG 4.42Å; L145-R225 PolarHBondContact N-O 3.11Å; R225-V227 HydrophobicContact CG-CG2 4.41Å; R225-V258 VanDerWaalsContact CA-CG1 3.43Å; R225-P259 HydrophobicContact CG-CG 4.29Å; R225-P259 WeakPolarHBondContact CG-O 3.26Å; R225-P259 VanDerWaalsContact NH1-CB 3.35Å
226	I	97.8	Very high	92.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.1	170.9	-62.6	172.6	0	0	0	108.1	L145 I147 L223 V228 L251 F255 V258 P259 L260 F261	L145-I226 CarbonylContact O-C 3.39Å; I147-I226 HydrophobicContact CD1-CG2 3.76Å; L223-I226 HydrophobicContact CD2-CD1 4.43Å; L223-I226 HydrophobicContact CD2-CG1 4.49Å; I226-V228 HydrophobicContact CG2-CG2 4.47Å; I226-L251 HydrophobicContact CD1-CB 4.03Å; I226-L251 HydrophobicContact CG2-CD1 3.88Å; I226-F255 HydrophobicContact CD1-CB 4.24Å; I226-F255 HydrophobicContact CD1-CD2 3.93Å; I226-V258 HydrophobicContact CD1-CB 4.39Å; I226-V258 HydrophobicContact CD1-CG1 4.17Å; I226-V258 HydrophobicContact CG1-CG1 3.85Å; I226-P259 PolarHBondContact N-O 2.83Å; I226-L260 HydrophobicContact CG2-CD1 4.46Å; I226-L260 HydrophobicContact CG2-CG 4.42Å; I226-L260 CarbonylContact O-C 3.53Å; I226-L260 WeakPolarHBondContact O-CA 3.37Å; I226-F261 PolarHBondContact O-N 2.99Å
227	V	97.4	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.6	177.8	177.9	0	0	0	0	108.1	F133 T144 L145 V146 I147 R225 F261 L263	F133-V227 HydrophobicContact CB-CG1 4.32Å; F133-V227 HydrophobicContact CB-CG2 3.64Å; F133-V227 HydrophobicContact CD1-CG1 3.97Å; F133-V227 HydrophobicContact CD2-CG1 4.29Å; F133-V227 HydrophobicContact CD2-CG2 4Å; F133-V227 HydrophobicContact CE1-CG1 4.22Å; F133-V227 HydrophobicContact CG-CG1 3.95Å; F133-V227 HydrophobicContact CG-CG2 3.9Å; T144-V227 HydrophobicContact CG2-CB 4.48Å; T144-V227 HydrophobicContact CG2-CG2 3.52Å; L145-V227 PolarHBondContact O-N 3.41Å; V146-V227 HydrophobicContact CB-CB 4.42Å; V146-V227 HydrophobicContact CG1-CB 4.23Å; V146-V227 HydrophobicContact CG1-CG1 4.12Å; V146-V227 HydrophobicContact CG2-CB 4.19Å; V146-V227 HydrophobicContact CG2-CG2 4.44Å; I147-V227 VanDerWaalsContact CD1-O 3.27Å; I147-V227 WeakPolarHBondContact CD1-O 3.42Å; I147-V227 PolarHBondContact N-O 3.05Å; R225-V227 HydrophobicContact CG-CG2 4.41Å; V227-F261 CarbonylContact C-O 3.56Å; V227-F261 VanDerWaalsContact CA-O 3.31Å; V227-F261 WeakPolarHBondContact CA-O 3.49Å; V227-F261 HydrophobicContact CG1-CD1 4.37Å; V227-F261 HydrophobicContact CG2-CB 4.21Å; V227-L263 HydrophobicContact CG1-CD1 3.65Å
228	V	96.4	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.1	173.8	-176.1	0	0	0	0	107.6	I147 I226 V231 Y245 L248 L260 F261 G262 L263 L279	I147-V228 HydrophobicContact CD1-CG2 4.38Å; I226-V228 HydrophobicContact CG2-CG2 4.47Å; V228-V231 HydrophobicContact CB-CG2 4.42Å; V228-V231 HydrophobicContact CG1-CB 4.25Å; V228-V231 HydrophobicContact CG1-CG2 4.05Å; V228-Y245 HydrophobicContact CG1-CD1 4.04Å; V228-Y245 HydrophobicContact CG1-CE1 3.61Å; V228-L248 HydrophobicContact CG1-CD1 4.07Å; V228-L260 HydrophobicContact CG2-CD1 4.33Å; V228-L260 HydrophobicContact CG2-CD2 4.26Å; V228-L260 HydrophobicContact CG2-CG 4.35Å; V228-F261 PolarHBondContact N-O 2.86Å; V228-G262 WeakPolarHBondContact O-CA 3.33Å; V228-L263 PolarHBondContact O-N 3.18Å; V228-L279 HydrophobicContact CG2-CD1 4.47Å
229	D	93.5	Very high	88.9	Confident	17 Å²	17	33.7 Å²	33.7	9%	0.091	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	147.5	175.2	-162.1	20.2	0	0	0	110.7	I147 L153 V231 Y245	I147-D229 WeakPolarHBondContact O-CB 3.48Å; I147-D229 PolarHBondContact O-N 3.03Å; L153-D229 WeakPolarHBondContact CD2-OD2 3.36Å; D229-V231 VanDerWaalsContact C-N 3.33Å; D229-V231 PolarHBondContact O-N 3.4Å; D229-Y245 WeakPolarHBondContact O-CE1 3.46Å; D229-Y245 PolarHBondContact O-OH 2.87Å
230	E	90	Very high	88.1	Confident	17 Å²	17	31.9 Å²	31.9	8%	0.079	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	53.5	-169.4	-58.5	-62.5	178.5	0	0	112.9	P149 H232 C233 L263	P149-E230 HydrophobicContact CG-CB 4.2Å; P149-E230 HydrophobicContact CG-CG 4.27Å; E230-H232 PolarHBondContact O-N 3.02Å; E230-H232 IonicContact OE2-CE1 3.36Å; E230-H232 PolarHBondContact OE2-CE1 3.04Å; E230-H232 IonicContact OE2-ND1 3.93Å; E230-H232 PolarHBondContact OE2-ND1 3.47Å; E230-C233 WeakPolarHBondContact O-CB 3.32Å; E230-C233 PolarHBondContact O-N 3.32Å; E230-C233 PolarHBondContact O-SG 2.94Å; E230-L263 CarbonylContact C-O 3.58Å; E230-L263 VanDerWaalsContact CA-O 3.31Å; E230-L263 WeakPolarHBondContact CA-O 3.2Å; E230-L263 PolarHBondContact N-O 2.74Å
231	V	93	Very high	87.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-56.1	-24.4	-174.5	73.9	0	0	0	0	113.6	F120 V228 D229 C233 C234 L263 T264 C275 L279	F120-V231 HydrophobicContact CE1-CG2 4.4Å; F120-V231 HydrophobicContact CZ-CG2 4.31Å; V228-V231 HydrophobicContact CB-CG2 4.42Å; V228-V231 HydrophobicContact CG1-CB 4.25Å; V228-V231 HydrophobicContact CG1-CG2 4.05Å; D229-V231 VanDerWaalsContact C-N 3.33Å; D229-V231 PolarHBondContact O-N 3.4Å; V231-C233 PolarHBondContact O-N 3.46Å; V231-C233 VanDerWaalsContact O-N 3.14Å; V231-C234 WeakPolarHBondContact O-CB 3.44Å; V231-C234 PolarHBondContact O-N 3.14Å; V231-C234 VanDerWaalsContact O-N 3.13Å; V231-C234 PolarHBondContact O-SG 3.27Å; V231-C234 VanDerWaalsContact O-SG 3.36Å; V231-L263 PolarHBondContact N-O 2.98Å; V231-T264 HydrophobicContact CG1-CG2 3.88Å; V231-C275 HydrophobicContact CG2-CB 4.26Å; V231-C275 PolarHBondContact O-SG 2.87Å; V231-L279 HydrophobicContact CG2-CD1 3.49Å; V231-L279 VanDerWaalsContact CG2-CD1 3.49Å
232	H	90.5	Very high	87.2	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.019	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-61.3	-20.9	177.1	71.7	-99.9	0	0	0	113.3	E230 C234 S235 H239 T264 A267 V271	E230-H232 PolarHBondContact O-N 3.02Å; E230-H232 IonicContact OE2-CE1 3.36Å; E230-H232 PolarHBondContact OE2-CE1 3.04Å; E230-H232 IonicContact OE2-ND1 3.93Å; E230-H232 PolarHBondContact OE2-ND1 3.47Å; H232-C234 PolarHBondContact O-N 3.19Å; H232-S235 PolarHBondContact O-N 3.05Å; H232-S235 VanDerWaalsContact O-N 3.17Å; H232-H239 AromaticContact CD2-CE1 3.4Å; H232-H239 PolarHBondContact CD2-CE1 2.95Å; H232-H239 VanDerWaalsContact CD2-CE1 3.4Å; H232-H239 AromaticContact CD2-ND1 3.83Å; H232-H239 AromaticContact CE1-CE1 3.55Å; H232-H239 AromaticContact CE1-NE2 3.84Å; H232-H239 AromaticContact CG-CE1 3.92Å; H232-H239 AromaticContact ND1-CE1 3.99Å; H232-H239 AromaticContact NE2-CE1 3.15Å; H232-H239 PolarHBondContact NE2-CE1 2.61Å; H232-H239 AromaticContact NE2-ND1 3.91Å; H232-H239 AromaticContact NE2-NE2 3.45Å; H232-H239 PolarHBondContact NE2-NE2 3.26Å; H232-T264 PolarHBondContact ND1-OG1 2.69Å; H232-A267 HydrophobicContact CB-CB 4.15Å; H232-V271 HydrophobicContact CB-CG1 4.04Å
233	C	89.1	Confident	86.8	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.007	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.3	175.3	-65.7	0	0	0	0	113.3	E230 V231 S235 D240 F241 R242 Y245	E230-C233 WeakPolarHBondContact O-CB 3.32Å; E230-C233 PolarHBondContact O-N 3.32Å; E230-C233 PolarHBondContact O-SG 2.94Å; V231-C233 PolarHBondContact O-N 3.46Å; V231-C233 VanDerWaalsContact O-N 3.14Å; C233-S235 VanDerWaalsContact C-N 3.32Å; C233-D240 WeakPolarHBondContact CA-O 3.42Å; C233-D240 WeakPolarHBondContact CB-O 3.48Å; C233-D240 PolarHBondContact SG-O 3.24Å; C233-F241 WeakPolarHBondContact O-CD2 3.38Å; C233-R242 HydrophobicContact CB-CB 4.29Å; C233-R242 PolarHBondContact O-N 2.81Å; C233-Y245 HydrophobicContact CB-CD1 3.95Å; C233-Y245 HydrophobicContact CB-CD2 3.91Å; C233-Y245 HydrophobicContact CB-CE1 4.04Å; C233-Y245 HydrophobicContact CB-CE2 3.99Å; C233-Y245 HydrophobicContact CB-CG 3.89Å
234	C	88	Confident	86.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-60.8	-40.7	172.8	-70.1	0	0	0	0	112.4	V231 H232 F241 C275 I278	V231-C234 WeakPolarHBondContact O-CB 3.44Å; V231-C234 PolarHBondContact O-N 3.14Å; V231-C234 VanDerWaalsContact O-N 3.13Å; V231-C234 PolarHBondContact O-SG 3.27Å; V231-C234 VanDerWaalsContact O-SG 3.36Å; H232-C234 PolarHBondContact O-N 3.19Å; C234-F241 WeakPolarHBondContact O-CE2 3.3Å; C234-C275 HydrophobicContact CB-CB 4.36Å; C234-I278 HydrophobicContact CB-CB 4.37Å; C234-I278 HydrophobicContact CB-CD1 4.16Å; C234-I278 HydrophobicContact CB-CG2 4.02Å; C234-I278 WeakPolarHBondContact O-CD1 3.5Å
235	S	86.6	Confident	86.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-88.2	136.5	-170.7	-176.3	0	0	0	0	111.6	H232 C233 W237 G238 F241 D274	H232-S235 PolarHBondContact O-N 3.05Å; H232-S235 VanDerWaalsContact O-N 3.17Å; C233-S235 VanDerWaalsContact C-N 3.32Å; S235-W237 PolarHBondContact O-N 3.11Å; S235-W237 PolarHBondContact OG-N 3.25Å; S235-W237 VanDerWaalsContact OG-N 3.14Å; S235-G238 PolarHBondContact O-N 3.45Å; S235-F241 WeakPolarHBondContact O-CD2 3.12Å; S235-D274 WeakPolarHBondContact CA-OD2 3.5Å; S235-D274 WeakPolarHBondContact CB-OD2 3.45Å; S235-D274 PolarHBondContact OG-OD2 2.7Å
236	Q	75.8	Confident	86.2	Confident	81 Å²	81	32.9 Å²	32.9	38%	0.379	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.4	170.2	-73.1	179.4	-27.8	0	0	112.8	G238 F241	Q236-G238 VanDerWaalsContact C-N 3.32Å; Q236-F241 HydrophobicContact CB-CD2 4.44Å; Q236-F241 HydrophobicContact CG-CD1 4.08Å; Q236-F241 HydrophobicContact CG-CD2 3.88Å; Q236-F241 HydrophobicContact CG-CE1 3.93Å; Q236-F241 HydrophobicContact CG-CE2 3.74Å; Q236-F241 HydrophobicContact CG-CG 4.06Å; Q236-F241 HydrophobicContact CG-CZ 3.76Å
237	W	71.6	Confident	85.9	Confident	155 Å²	155	37.3 Å²	37.3	59%	0.587	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.9	175.4	-54.5	100.2	0	0	0	111.9	S235 V271 A445 K449	S235-W237 PolarHBondContact O-N 3.11Å; S235-W237 PolarHBondContact OG-N 3.25Å; S235-W237 VanDerWaalsContact OG-N 3.14Å; W237-V271 HydrophobicContact CB-CG2 4.18Å; W237-A445 HydrophobicContact CE3-CB 4.21Å; W237-A445 HydrophobicContact CZ3-CB 4.32Å; W237-K449 WeakPolarHBondContact O-CE 3.49Å; W237-K449 PolarHBondContact O-NZ 3.49Å
238	G	68.6	Low	85.8	Confident	7 Å²	7	37.3 Å²	37.3	7%	0.072	18%	0.178	C	C	.	.	S	Bend	trans	-65	157.7	169.4	0	0	0	0	0	112.8	S235 Q236 D240 K449	S235-G238 PolarHBondContact O-N 3.45Å; Q236-G238 VanDerWaalsContact C-N 3.32Å; G238-D240 VanDerWaalsContact C-N 3.31Å; G238-K449 PolarHBondContact O-NZ 3.5Å
239	H	65.4	Low	85.7	Confident	11 Å²	11	37.4 Å²	37.4	5%	0.051	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.8	-177.9	57.4	-70.4	0	0	0	113.8	H232 T266 K403 E406 N407	H232-H239 AromaticContact CD2-CE1 3.4Å; H232-H239 PolarHBondContact CD2-CE1 2.95Å; H232-H239 VanDerWaalsContact CD2-CE1 3.4Å; H232-H239 AromaticContact CD2-ND1 3.83Å; H232-H239 AromaticContact CE1-CE1 3.55Å; H232-H239 AromaticContact CE1-NE2 3.84Å; H232-H239 AromaticContact CG-CE1 3.92Å; H232-H239 AromaticContact ND1-CE1 3.99Å; H232-H239 AromaticContact NE2-CE1 3.15Å; H232-H239 PolarHBondContact NE2-CE1 2.61Å; H232-H239 AromaticContact NE2-ND1 3.91Å; H232-H239 AromaticContact NE2-NE2 3.45Å; H232-H239 PolarHBondContact NE2-NE2 3.26Å; H239-T266 VanDerWaalsContact CE1-CB 3.49Å; H239-T266 WeakPolarHBondContact CE1-CB 3.36Å; H239-T266 PolarHBondContact CE1-OG1 2.85Å; H239-T266 PolarHBondContact NE2-OG1 3.46Å; H239-K403 PolarHBondContact O-NZ 2.76Å; H239-E406 HydrophobicContact CB-CB 4.19Å; H239-N407 PolarHBondContact CD2-OD1 3.49Å; H239-N407 VanDerWaalsContact CD2-OD1 3.31Å
240	D	77.5	Confident	85.7	Confident	76 Å²	76	38.9 Å²	38.9	41%	0.406	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.7	58.9	177.1	-161.3	18.8	0	0	0	110.9	C233 G238 R242	C233-D240 WeakPolarHBondContact CA-O 3.42Å; C233-D240 WeakPolarHBondContact CB-O 3.48Å; C233-D240 PolarHBondContact SG-O 3.24Å; G238-D240 VanDerWaalsContact C-N 3.31Å; D240-R242 PolarHBondContact O-N 2.96Å
241	F	82.8	Confident	86	Confident	67 Å²	67	38.1 Å²	38.1	29%	0.294	18%	0.183	S	C	.	.			trans	-62.1	129.3	-177.8	170.6	-112.2	0	0	0	111.6	C233 C234 S235 Q236 P243 K246	C233-F241 WeakPolarHBondContact O-CD2 3.38Å; C234-F241 WeakPolarHBondContact O-CE2 3.3Å; S235-F241 WeakPolarHBondContact O-CD2 3.12Å; Q236-F241 HydrophobicContact CB-CD2 4.44Å; Q236-F241 HydrophobicContact CG-CD1 4.08Å; Q236-F241 HydrophobicContact CG-CD2 3.88Å; Q236-F241 HydrophobicContact CG-CE1 3.93Å; Q236-F241 HydrophobicContact CG-CE2 3.74Å; Q236-F241 HydrophobicContact CG-CG 4.06Å; Q236-F241 HydrophobicContact CG-CZ 3.76Å; F241-P243 HydrophobicContact CE1-CG 3.92Å; F241-P243 HydrophobicContact CZ-CB 4.41Å; F241-P243 HydrophobicContact CZ-CG 4.25Å; F241-K246 HydrophobicContact CE2-CD 4.06Å; F241-K246 VanDerWaalsContact CE2-CE 3.44Å; F241-K246 HydrophobicContact CE2-CG 4.07Å; F241-K246 HydrophobicContact CZ-CD 3.95Å; F241-K246 VanDerWaalsContact CZ-CE 3.44Å; F241-K246 HydrophobicContact CZ-CG 4.36Å
242	R	86.1	Confident	86	Confident	60 Å²	60	39.4 Å²	39.4	23%	0.226	19%	0.189	C	C	.	.			trans	-125.2	118.9	176.4	-164.9	178.5	-172.9	149.6	-15.6	111.3	P149 E202 C233 D240 D244 Y245	P149-R242 VanDerWaalsContact C-NH1 3.25Å; P149-R242 VanDerWaalsContact CA-NH1 3.26Å; P149-R242 VanDerWaalsContact O-CZ 3.28Å; P149-R242 PolarHBondContact O-NH1 3.04Å; P149-R242 PolarHBondContact O-NH2 2.95Å; E202-R242 IonicContact OE1-CZ 3.32Å; E202-R242 IonicContact OE1-NE 2.86Å; E202-R242 PolarHBondContact OE1-NE 3.23Å; E202-R242 IonicContact OE1-NH2 3.99Å; E202-R242 PolarHBondContact OE1-NH2 2.82Å; E202-R242 IonicContact OE2-NH2 2.99Å; E202-R242 PolarHBondContact OE2-NH2 2.87Å; C233-R242 HydrophobicContact CB-CB 4.29Å; C233-R242 PolarHBondContact O-N 2.81Å; D240-R242 PolarHBondContact O-N 2.96Å; R242-D244 VanDerWaalsContact C-N 3.3Å; R242-D244 PolarHBondContact O-N 3.36Å; R242-Y245 HydrophobicContact CB-CD2 3.9Å; R242-Y245 HydrophobicContact CG-CD2 4.29Å; R242-Y245 WeakPolarHBondContact O-CB 3.45Å; R242-Y245 PolarHBondContact O-N 3.44Å
243	P	86.6	Confident	86.2	Confident	83 Å²	83	46.4 Å²	46.4	54%	0.539	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-55	-39.5	-176.1	-28.3	34.5	0	0	0	114.8	F241 Y245 K246	F241-P243 HydrophobicContact CE1-CG 3.92Å; F241-P243 HydrophobicContact CZ-CB 4.41Å; F241-P243 HydrophobicContact CZ-CG 4.25Å; P243-Y245 PolarHBondContact O-N 3.28Å; P243-K246 WeakPolarHBondContact O-CB 3.45Å; P243-K246 PolarHBondContact O-N 3.42Å; P243-K246 VanDerWaalsContact O-N 3.08Å
244	D	90.8	Very high	86.4	Confident	26 Å²	26	50.4 Å²	50.4	14%	0.139	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64.5	-22.5	-178.5	-65.6	-80.1	0	0	0	113.2	P201 E202 K206 R242 K246 L247	P201-D244 HydrophobicContact CB-CB 3.93Å; P201-D244 HydrophobicContact CG-CB 4.25Å; E202-D244 HydrophobicContact CG-CB 4.45Å; K206-D244 IonicContact NZ-OD1 2.82Å; R242-D244 VanDerWaalsContact C-N 3.3Å; R242-D244 PolarHBondContact O-N 3.36Å; D244-K246 VanDerWaalsContact C-N 3.26Å; D244-K246 PolarHBondContact O-N 2.83Å; D244-L247 PolarHBondContact O-N 2.81Å
245	Y	93.1	Very high	86.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.5	-29.3	174.3	-91.4	-110	0	0	0	112.4	P149 P201 V228 D229 C233 R242 P243 L247 L248	P149-Y245 HydrophobicContact CB-CE2 4.15Å; P149-Y245 WeakPolarHBondContact CD-OH 3.21Å; P201-Y245 HydrophobicContact CB-CD2 3.83Å; P201-Y245 HydrophobicContact CB-CE2 3.94Å; P201-Y245 HydrophobicContact CG-CD2 3.8Å; P201-Y245 HydrophobicContact CG-CE2 3.6Å; V228-Y245 HydrophobicContact CG1-CD1 4.04Å; V228-Y245 HydrophobicContact CG1-CE1 3.61Å; D229-Y245 WeakPolarHBondContact O-CE1 3.46Å; D229-Y245 PolarHBondContact O-OH 2.87Å; C233-Y245 HydrophobicContact CB-CD1 3.95Å; C233-Y245 HydrophobicContact CB-CD2 3.91Å; C233-Y245 HydrophobicContact CB-CE1 4.04Å; C233-Y245 HydrophobicContact CB-CE2 3.99Å; C233-Y245 HydrophobicContact CB-CG 3.89Å; R242-Y245 HydrophobicContact CB-CD2 3.9Å; R242-Y245 HydrophobicContact CG-CD2 4.29Å; R242-Y245 WeakPolarHBondContact O-CB 3.45Å; R242-Y245 PolarHBondContact O-N 3.44Å; P243-Y245 PolarHBondContact O-N 3.28Å; Y245-L247 PolarHBondContact O-N 2.9Å; Y245-L247 VanDerWaalsContact O-N 3.15Å; Y245-L248 HydrophobicContact CD1-CD1 3.61Å; Y245-L248 HydrophobicContact CE1-CD1 4.06Å; Y245-L248 HydrophobicContact CG-CD1 3.92Å; Y245-L248 VanDerWaalsContact O-CB 3.31Å; Y245-L248 WeakPolarHBondContact O-CB 3.32Å; Y245-L248 WeakPolarHBondContact O-CG 2.94Å; Y245-L248 PolarHBondContact O-N 2.8Å
246	K	90	Very high	87	Confident	84 Å²	84	57.1 Å²	57.1	37%	0.365	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-61.8	-24.3	176.8	-69	-174.6	166.8	-177.1	0	113	F241 P243 D244 L248 I278	F241-K246 HydrophobicContact CE2-CD 4.06Å; F241-K246 VanDerWaalsContact CE2-CE 3.44Å; F241-K246 HydrophobicContact CE2-CG 4.07Å; F241-K246 HydrophobicContact CZ-CD 3.95Å; F241-K246 VanDerWaalsContact CZ-CE 3.44Å; F241-K246 HydrophobicContact CZ-CG 4.36Å; P243-K246 WeakPolarHBondContact O-CB 3.45Å; P243-K246 PolarHBondContact O-N 3.42Å; P243-K246 VanDerWaalsContact O-N 3.08Å; D244-K246 VanDerWaalsContact C-N 3.26Å; D244-K246 PolarHBondContact O-N 2.83Å; K246-L248 VanDerWaalsContact C-N 3.31Å; K246-I278 HydrophobicContact CB-CG2 4.36Å; K246-I278 HydrophobicContact CG-CG2 4.38Å
247	L	92.2	Very high	87.8	Confident	94 Å²	94	57.7 Å²	57.7	49%	0.492	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-82.6	-11.8	-179	-58.5	176	0	0	0	112.3	A205 D244 Y245 G249 I250	A205-L247 HydrophobicContact CB-CB 4.09Å; A205-L247 HydrophobicContact CB-CD1 3.49Å; A205-L247 VanDerWaalsContact CB-CD1 3.49Å; A205-L247 HydrophobicContact CB-CG 4.42Å; D244-L247 PolarHBondContact O-N 2.81Å; Y245-L247 PolarHBondContact O-N 2.9Å; Y245-L247 VanDerWaalsContact O-N 3.15Å; L247-G249 PolarHBondContact O-N 2.99Å; L247-I250 WeakPolarHBondContact O-CG2 3.38Å; L247-I250 PolarHBondContact O-N 2.92Å
248	L	95.1	Very high	89	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.9	-16.3	-177.8	-60.9	178.9	0	0	0	113.6	I147 P201 V204 V228 Y245 K246 I250 L251 L279	I147-L248 HydrophobicContact CG1-CD2 4.41Å; I147-L248 HydrophobicContact CG2-CD1 3.95Å; I147-L248 HydrophobicContact CG2-CD2 4.23Å; P201-L248 HydrophobicContact CB-CD2 4.44Å; V204-L248 HydrophobicContact CB-CD2 3.9Å; V204-L248 HydrophobicContact CG1-CD2 3.81Å; V204-L248 HydrophobicContact CG2-CD2 4.28Å; V228-L248 HydrophobicContact CG1-CD1 4.07Å; Y245-L248 HydrophobicContact CD1-CD1 3.61Å; Y245-L248 HydrophobicContact CE1-CD1 4.06Å; Y245-L248 HydrophobicContact CG-CD1 3.92Å; Y245-L248 VanDerWaalsContact O-CB 3.31Å; Y245-L248 WeakPolarHBondContact O-CB 3.32Å; Y245-L248 WeakPolarHBondContact O-CG 2.94Å; Y245-L248 PolarHBondContact O-N 2.8Å; K246-L248 VanDerWaalsContact C-N 3.31Å; L248-I250 PolarHBondContact O-N 2.84Å; L248-L251 HydrophobicContact CB-CD1 4.43Å; L248-L251 HydrophobicContact CD2-CD1 4.15Å; L248-L251 VanDerWaalsContact O-CB 3.26Å; L248-L251 WeakPolarHBondContact O-CB 3.43Å; L248-L251 WeakPolarHBondContact O-CG 3.26Å; L248-L251 PolarHBondContact O-N 3.08Å; L248-L279 HydrophobicContact CB-CD2 3.61Å
249	G	92.9	Very high	90.2	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-15.5	171.2	0	0	0	0	0	113.9	L247 L251 R253 I278	L247-G249 PolarHBondContact O-N 2.99Å; G249-L251 PolarHBondContact O-N 2.94Å; G249-R253 WeakPolarHBondContact O-CG 3.47Å; G249-R253 PolarHBondContact O-N 3.06Å; G249-R253 PolarHBondContact O-NE 2.72Å; G249-I278 WeakPolarHBondContact CA-O 3.33Å
250	I	94.2	Very high	91.7	Very high	49 Å²	49	50.3 Å²	50.3	25%	0.251	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-32.6	169.5	-166.6	57.8	0	0	0	112.7	M211 L247 L248 R253 Q254	M211-I250 HydrophobicContact CE-CG1 4.43Å; M211-I250 HydrophobicContact CE-CG2 4.28Å; L247-I250 WeakPolarHBondContact O-CG2 3.38Å; L247-I250 PolarHBondContact O-N 2.92Å; L248-I250 PolarHBondContact O-N 2.84Å; I250-R253 PolarHBondContact O-N 2.93Å; I250-Q254 HydrophobicContact CD1-CG 3.94Å; I250-Q254 HydrophobicContact CG1-CG 4.13Å; I250-Q254 WeakPolarHBondContact O-CB 3.26Å; I250-Q254 PolarHBondContact O-N 2.85Å
251	L	95.4	Very high	92.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-47.7	-175.2	-68.6	176.5	0	0	0	111.2	L145 I147 V204 M211 I226 L248 G249 F255	L145-L251 HydrophobicContact CD2-CD2 4.45Å; I147-L251 HydrophobicContact CD1-CD1 3.78Å; I147-L251 HydrophobicContact CG1-CD1 4.4Å; V204-L251 HydrophobicContact CG1-CD1 4.2Å; V204-L251 HydrophobicContact CG1-CD2 3.85Å; V204-L251 HydrophobicContact CG1-CG 4.1Å; M211-L251 HydrophobicContact CE-CD2 4.33Å; M211-L251 HydrophobicContact SD-CD2 4.39Å; I226-L251 HydrophobicContact CD1-CB 4.03Å; I226-L251 HydrophobicContact CG2-CD1 3.88Å; L248-L251 HydrophobicContact CB-CD1 4.43Å; L248-L251 HydrophobicContact CD2-CD1 4.15Å; L248-L251 VanDerWaalsContact O-CB 3.26Å; L248-L251 WeakPolarHBondContact O-CB 3.43Å; L248-L251 WeakPolarHBondContact O-CG 3.26Å; L248-L251 PolarHBondContact O-N 3.08Å; G249-L251 PolarHBondContact O-N 2.94Å; L251-F255 HydrophobicContact CD2-CD2 4.12Å; L251-F255 HydrophobicContact CD2-CE2 3.84Å; L251-F255 WeakPolarHBondContact O-CA 3.01Å; L251-F255 VanDerWaalsContact O-CB 3.3Å; L251-F255 WeakPolarHBondContact O-CB 3.3Å; L251-F255 VanDerWaalsContact O-CD2 3.32Å; L251-F255 WeakPolarHBondContact O-CD2 3.47Å; L251-F255 PolarHBondContact O-N 2.79Å
252	K	94.4	Very high	93.3	Very high	28 Å²	28	43.5 Å²	43.5	12%	0.122	22%	0.216	C	C	.	.	H	α-helix	trans	-72.3	-33.6	179.2	-166.1	57.7	171.6	-178.7	0	112.3	D118 Q256 V258 L279 C280 V281	D118-K252 VanDerWaalsContact CG-NZ 3.28Å; D118-K252 IonicContact OD1-NZ 2.73Å; D118-K252 PolarHBondContact OD1-NZ 3.28Å; D118-K252 WeakPolarHBondContact OD2-CE 3.39Å; D118-K252 IonicContact OD2-NZ 3.06Å; D118-K252 PolarHBondContact OD2-NZ 3Å; K252-Q256 PolarHBondContact NZ-O 2.76Å; K252-Q256 VanDerWaalsContact NZ-O 3.1Å; K252-Q256 WeakPolarHBondContact O-CA 3.41Å; K252-Q256 VanDerWaalsContact O-CG 3.24Å; K252-Q256 WeakPolarHBondContact O-CG 3.44Å; K252-Q256 PolarHBondContact O-N 2.99Å; K252-V258 PolarHBondContact NZ-O 2.9Å; K252-V258 VanDerWaalsContact NZ-O 3.11Å; K252-L279 WeakPolarHBondContact CB-O 3.42Å; K252-C280 WeakPolarHBondContact CG-O 3.37Å; K252-V281 HydrophobicContact CG-CG2 4.35Å
253	R	93.4	Very high	93.6	Very high	151 Å²	151	40.7 Å²	40.7	57%	0.57	21%	0.205	S	C	*	.	H	α-helix	trans	-63.5	-39.9	175	-73.2	-173.4	-67.9	175.3	-0.3	113	G249 I250 Q256 C280	G249-R253 WeakPolarHBondContact O-CG 3.47Å; G249-R253 PolarHBondContact O-N 3.06Å; G249-R253 PolarHBondContact O-NE 2.72Å; I250-R253 PolarHBondContact O-N 2.93Å; R253-Q256 PolarHBondContact O-NE2 3.11Å; R253-C280 HydrophobicContact CG-CB 4.29Å
254	Q	94.3	Very high	93.8	Very high	85 Å²	85	36.8 Å²	36.8	40%	0.397	18%	0.18	S	C	.	.	H	α-helix	trans	-85.7	-37.4	179.7	-70.6	-171.3	-24.7	0	0	113.2	I250	I250-Q254 HydrophobicContact CD1-CG 3.94Å; I250-Q254 HydrophobicContact CG1-CG 4.13Å; I250-Q254 WeakPolarHBondContact O-CB 3.26Å; I250-Q254 PolarHBondContact O-N 2.85Å
255	F	95.4	Very high	93.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.176	C	C	.	.			trans	-114.1	55.5	-173	-47.3	-50.4	0	0	0	111.3	M211 L214 E215 Y218 L223 I226 L251 S257 V258	M211-F255 HydrophobicContact CE-CE2 4.05Å; M211-F255 HydrophobicContact CE-CZ 4.12Å; L214-F255 HydrophobicContact CB-CE1 4.49Å; L214-F255 HydrophobicContact CB-CE2 4.02Å; L214-F255 HydrophobicContact CB-CZ 3.64Å; L214-F255 HydrophobicContact CD1-CE2 4.43Å; E215-F255 HydrophobicContact CB-CE1 4.35Å; Y218-F255 AromaticContact CD1-CD1 3.95Å; Y218-F255 HydrophobicContact CD1-CD1 3.95Å; Y218-F255 HydrophobicContact CD2-CB 4.05Å; Y218-F255 AromaticContact CD2-CD1 3.94Å; Y218-F255 HydrophobicContact CD2-CD1 3.94Å; Y218-F255 HydrophobicContact CD2-CG 4.37Å; Y218-F255 HydrophobicContact CE2-CB 4.13Å; Y218-F255 AromaticContact CG-CD1 3.59Å; Y218-F255 HydrophobicContact CG-CD1 3.59Å; Y218-F255 HydrophobicContact CG-CE1 4.29Å; Y218-F255 HydrophobicContact CG-CG 4.45Å; L223-F255 HydrophobicContact CD2-CD2 4.11Å; L223-F255 HydrophobicContact CD2-CE2 4.49Å; L223-F255 HydrophobicContact CD2-CG 4.13Å; I226-F255 HydrophobicContact CD1-CB 4.24Å; I226-F255 HydrophobicContact CD1-CD2 3.93Å; L251-F255 HydrophobicContact CD2-CD2 4.12Å; L251-F255 HydrophobicContact CD2-CE2 3.84Å; L251-F255 WeakPolarHBondContact O-CA 3.01Å; L251-F255 VanDerWaalsContact O-CB 3.3Å; L251-F255 WeakPolarHBondContact O-CB 3.3Å; L251-F255 VanDerWaalsContact O-CD2 3.32Å; L251-F255 WeakPolarHBondContact O-CD2 3.47Å; L251-F255 PolarHBondContact O-N 2.79Å; F255-S257 VanDerWaalsContact C-N 3.29Å; F255-S257 PolarHBondContact O-N 3.1Å; F255-V258 HydrophobicContact CB-CB 4.19Å; F255-V258 HydrophobicContact CB-CG2 3.93Å; F255-V258 PolarHBondContact O-N 2.98Å
256	Q	92.1	Very high	93	Very high	139 Å²	139	36 Å²	36	65%	0.65	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-38.6	-170.1	-66.7	172.5	19.3	0	0	113.6	K252 R253 V258	K252-Q256 PolarHBondContact NZ-O 2.76Å; K252-Q256 VanDerWaalsContact NZ-O 3.1Å; K252-Q256 WeakPolarHBondContact O-CA 3.41Å; K252-Q256 VanDerWaalsContact O-CG 3.24Å; K252-Q256 WeakPolarHBondContact O-CG 3.44Å; K252-Q256 PolarHBondContact O-N 2.99Å; R253-Q256 PolarHBondContact O-NE2 3.11Å; Q256-V258 VanDerWaalsContact C-N 3.27Å; Q256-V258 PolarHBondContact O-N 3.22Å
257	S	92.4	Very high	92.6	Very high	92 Å²	92	32.4 Å²	32.4	64%	0.643	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.9	179.7	66.8	0	0	0	0	114.3	Y218 F255	Y218-S257 WeakPolarHBondContact CE2-OG 3.22Å; Y218-S257 PolarHBondContact OH-OG 3.41Å; F255-S257 VanDerWaalsContact C-N 3.29Å; F255-S257 PolarHBondContact O-N 3.1Å
258	V	95.6	Very high	92.2	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.03	15%	0.145	C	C	.	.	S	Bend	trans	-86.1	127.1	176.2	-174.4	0	0	0	0	109.7	Y218 L223 R225 I226 K252 F255 Q256	Y218-V258 HydrophobicContact CD2-CG2 3.49Å; Y218-V258 VanDerWaalsContact CD2-CG2 3.49Å; Y218-V258 HydrophobicContact CE2-CG2 3.59Å; L223-V258 HydrophobicContact CD2-CG2 4.14Å; L223-V258 HydrophobicContact CG-CG1 4.24Å; L223-V258 HydrophobicContact CG-CG2 4.13Å; R225-V258 VanDerWaalsContact CA-CG1 3.43Å; I226-V258 HydrophobicContact CD1-CB 4.39Å; I226-V258 HydrophobicContact CD1-CG1 4.17Å; I226-V258 HydrophobicContact CG1-CG1 3.85Å; K252-V258 PolarHBondContact NZ-O 2.9Å; K252-V258 VanDerWaalsContact NZ-O 3.11Å; F255-V258 HydrophobicContact CB-CB 4.19Å; F255-V258 HydrophobicContact CB-CG2 3.93Å; F255-V258 PolarHBondContact O-N 2.98Å; Q256-V258 VanDerWaalsContact C-N 3.27Å; Q256-V258 PolarHBondContact O-N 3.22Å
259	P	95.4	Very high	91.7	Very high	11 Å²	11	31.8 Å²	31.8	7%	0.071	17%	0.166	C	C	.	.			trans	-68.1	138.9	175.3	26.4	-34.3	0	0	0	111.8	D118 S224 R225 I226	D118-P259 WeakPolarHBondContact OD1-CA 3.48Å; S224-P259 WeakPolarHBondContact O-CD 3.43Å; R225-P259 HydrophobicContact CG-CG 4.29Å; R225-P259 WeakPolarHBondContact CG-O 3.26Å; R225-P259 VanDerWaalsContact NH1-CB 3.35Å; I226-P259 PolarHBondContact N-O 2.83Å
260	L	96.9	Very high	91.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129	175.9	-169.1	152.7	0	0	0	110.3	D118 V119 F120 I226 V228 L279 V281	D118-L260 CarbonylContact C-O 3.6Å; D118-L260 VanDerWaalsContact CA-O 3.29Å; D118-L260 WeakPolarHBondContact CA-O 3.09Å; D118-L260 PolarHBondContact OD1-N 3.35Å; V119-L260 PolarHBondContact N-O 3.47Å; F120-L260 HydrophobicContact CE1-CD2 3.95Å; I226-L260 HydrophobicContact CG2-CD1 4.46Å; I226-L260 HydrophobicContact CG2-CG 4.42Å; I226-L260 CarbonylContact O-C 3.53Å; I226-L260 WeakPolarHBondContact O-CA 3.37Å; V228-L260 HydrophobicContact CG2-CD1 4.33Å; V228-L260 HydrophobicContact CG2-CD2 4.26Å; V228-L260 HydrophobicContact CG2-CG 4.35Å; L260-L279 HydrophobicContact CD2-CD1 4.21Å; L260-V281 HydrophobicContact CB-CG2 4.4Å; L260-V281 HydrophobicContact CD1-CG2 3.9Å; L260-V281 HydrophobicContact CD2-CG2 4.15Å; L260-V281 HydrophobicContact CG-CG2 4.38Å
261	F	96.6	Very high	91.2	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.2	179.9	-167	-108.4	0	0	0	110.3	A109 T113 V119 L121 C132 F133 I226 V227 V228 L263	A109-F261 HydrophobicContact CB-CE2 4.45Å; A109-F261 HydrophobicContact CB-CZ 4.31Å; T113-F261 HydrophobicContact CG2-CD2 4.24Å; T113-F261 VanDerWaalsContact OG1-CD2 3.23Å; T113-F261 WeakPolarHBondContact OG1-CD2 3.32Å; T113-F261 WeakPolarHBondContact OG1-CE2 3.37Å; V119-F261 HydrophobicContact CB-CD2 3.71Å; V119-F261 HydrophobicContact CB-CE2 3.81Å; V119-F261 HydrophobicContact CG1-CD2 4.17Å; V119-F261 HydrophobicContact CG1-CE2 3.75Å; V119-F261 HydrophobicContact CG2-CD2 4.48Å; V119-F261 CarbonylContact O-C 3.53Å; V119-F261 WeakPolarHBondContact O-CA 3.17Å; L121-F261 HydrophobicContact CB-CE2 4.44Å; L121-F261 HydrophobicContact CB-CZ 3.96Å; L121-F261 HydrophobicContact CD2-CZ 3.94Å; C132-F261 HydrophobicContact CB-CE1 3.99Å; C132-F261 HydrophobicContact CB-CZ 3.77Å; F133-F261 HydrophobicContact CB-CD1 3.88Å; F133-F261 HydrophobicContact CB-CE1 4.08Å; I226-F261 PolarHBondContact O-N 2.99Å; V227-F261 CarbonylContact C-O 3.56Å; V227-F261 VanDerWaalsContact CA-O 3.31Å; V227-F261 WeakPolarHBondContact CA-O 3.49Å; V227-F261 HydrophobicContact CG1-CD1 4.37Å; V227-F261 HydrophobicContact CG2-CB 4.21Å; V228-F261 PolarHBondContact N-O 2.86Å; F261-L263 HydrophobicContact CD1-CD1 3.83Å; F261-L263 HydrophobicContact CD1-CD2 3.96Å; F261-L263 HydrophobicContact CD1-CG 3.76Å; F261-L263 HydrophobicContact CE1-CD1 3.82Å; F261-L263 HydrophobicContact CE1-CD2 3.25Å; F261-L263 HydrophobicContact CE1-CG 3.59Å; F261-L263 HydrophobicContact CZ-CD2 3.89Å
262	G	95.9	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132	178.5	0	0	0	0	0	111.5	V119 F120 L121 V228	V119-G262 PolarHBondContact O-N 3.32Å; F120-G262 CarbonylContact C-O 3.58Å; F120-G262 WeakPolarHBondContact CA-O 3.27Å; L121-G262 PolarHBondContact N-O 3.2Å; V228-G262 WeakPolarHBondContact O-CA 3.33Å
263	L	93.9	Very high	90.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.7	-177.4	-69.3	157	0	0	0	110.7	L121 K129 F133 V227 V228 E230 V231 F261	L121-L263 HydrophobicContact CB-CD2 3.83Å; L121-L263 HydrophobicContact CD2-CD2 3.71Å; L121-L263 HydrophobicContact CG-CD2 4.12Å; K129-L263 HydrophobicContact CB-CD2 4.05Å; K129-L263 HydrophobicContact CD-CB 4.47Å; K129-L263 HydrophobicContact CD-CD2 4.31Å; K129-L263 HydrophobicContact CG-CD2 4.3Å; F133-L263 HydrophobicContact CD1-CD1 3.38Å; F133-L263 HydrophobicContact CE1-CD1 3.6Å; F133-L263 HydrophobicContact CG-CD1 4.42Å; V227-L263 HydrophobicContact CG1-CD1 3.65Å; V228-L263 PolarHBondContact O-N 3.18Å; E230-L263 CarbonylContact C-O 3.58Å; E230-L263 VanDerWaalsContact CA-O 3.31Å; E230-L263 WeakPolarHBondContact CA-O 3.2Å; E230-L263 PolarHBondContact N-O 2.74Å; V231-L263 PolarHBondContact N-O 2.98Å; F261-L263 HydrophobicContact CD1-CD1 3.83Å; F261-L263 HydrophobicContact CD1-CD2 3.96Å; F261-L263 HydrophobicContact CD1-CG 3.76Å; F261-L263 HydrophobicContact CE1-CD1 3.82Å; F261-L263 HydrophobicContact CE1-CD2 3.25Å; F261-L263 HydrophobicContact CE1-CG 3.59Å; F261-L263 HydrophobicContact CZ-CD2 3.89Å
264	T	90.8	Very high	90.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.4	172.6	-180	0	0	0	0	111.1	L121 V122 M123 V231 H232 T266 A267 L272	L121-T264 PolarHBondContact O-N 3.47Å; V122-T264 CarbonylContact C-O 3.56Å; V122-T264 WeakPolarHBondContact CA-O 3.15Å; V122-T264 HydrophobicContact CB-CG2 4.44Å; V122-T264 HydrophobicContact CG1-CG2 4.4Å; V122-T264 HydrophobicContact CG2-CG2 3.89Å; M123-T264 PolarHBondContact N-O 2.93Å; V231-T264 HydrophobicContact CG1-CG2 3.88Å; H232-T264 PolarHBondContact ND1-OG1 2.69Å; T264-T266 PolarHBondContact OG1-N 3.39Å; T264-A267 HydrophobicContact CG2-CB 3.45Å; T264-A267 VanDerWaalsContact CG2-CB 3.45Å; T264-L272 HydrophobicContact CG2-CD2 4.16Å
265	A	85.4	Confident	90.6	Very high	6 Å²	6	29.8 Å²	29.8	5%	0.05	17%	0.171	C	C	.	.	S	Bend	trans	-95.5	-21.3	171.2	0	0	0	0	0	114	M123 T125	M123-A265 VanDerWaalsContact O-CA 3.29Å; M123-A265 WeakPolarHBondContact O-CA 3.32Å; T125-A265 HydrophobicContact CG2-CB 3.88Å
266	T	80.5	Confident	90.5	Very high	4 Å²	4	32 Å²	32	3%	0.025	18%	0.181	C	C	.	.	S	Bend	trans	-143.3	27.8	-152.5	36.9	0	0	0	0	112.6	H239 T264 E406 Y409 F472	H239-T266 VanDerWaalsContact CE1-CB 3.49Å; H239-T266 WeakPolarHBondContact CE1-CB 3.36Å; H239-T266 PolarHBondContact CE1-OG1 2.85Å; H239-T266 PolarHBondContact NE2-OG1 3.46Å; T264-T266 PolarHBondContact OG1-N 3.39Å; T266-E406 HydrophobicContact CG2-CB 4.35Å; T266-Y409 HydrophobicContact CG2-CD1 3.75Å; T266-Y409 HydrophobicContact CG2-CE1 4.23Å; T266-F472 HydrophobicContact CG2-CE1 4.35Å; T266-F472 HydrophobicContact CG2-CZ 4.36Å
267	A	82.5	Confident	90.6	Very high	8 Å²	8	33 Å²	33	7%	0.066	18%	0.183	C	C	.	.			trans	-95.7	130.1	177.2	0	0	0	0	0	111.9	H232 T264 V271 L272	H232-A267 HydrophobicContact CB-CB 4.15Å; T264-A267 HydrophobicContact CG2-CB 3.45Å; T264-A267 VanDerWaalsContact CG2-CB 3.45Å; A267-V271 HydrophobicContact CB-CB 4.43Å; A267-V271 HydrophobicContact CB-CG1 4.09Å; A267-L272 HydrophobicContact CB-CD2 3.57Å; A267-L272 HydrophobicContact CB-CG 3.82Å
268	T	83.5	Confident	90.6	Very high	19 Å²	19	30.1 Å²	30.1	12%	0.117	16%	0.16	C	C	.	.			trans	-78.1	167.9	167.7	60	0	0	0	0	111	S270 V271 L272 H471	T268-S270 PolarHBondContact O-N 3.21Å; T268-S270 PolarHBondContact OG1-OG 2.93Å; T268-S270 VanDerWaalsContact OG1-OG 3.09Å; T268-V271 PolarHBondContact O-N 2.88Å; T268-V271 WeakPolarHBondContact OG1-CG2 3.28Å; T268-V271 PolarHBondContact OG1-N 3.05Å; T268-L272 WeakPolarHBondContact O-CG 3.49Å; T268-L272 PolarHBondContact O-N 3.22Å; T268-H471 WeakPolarHBondContact CG2-O 3.31Å
269	S	85.1	Confident	90.6	Very high	63 Å²	63	29.9 Å²	29.9	44%	0.441	16%	0.159	S	C	.	.	H	α-helix	trans	-61.9	-32.8	-179	-54.1	0	0	0	0	112.7	K273 D473	S269-K273 WeakPolarHBondContact O-CG 3.4Å; S269-K273 PolarHBondContact O-N 2.84Å; S269-D473 WeakPolarHBondContact CB-OD2 3.4Å; S269-D473 PolarHBondContact N-OD2 3.35Å; S269-D473 PolarHBondContact OG-OD2 2.98Å; S269-D473 VanDerWaalsContact OG-OD2 3.07Å
270	S	86.3	Confident	90.6	Very high	80 Å²	80	32 Å²	32	56%	0.559	17%	0.173	S	C	*	.	H	α-helix	trans	-70	-41.5	176.5	56.9	0	0	0	0	112.2	T268 K273 D274	T268-S270 PolarHBondContact O-N 3.21Å; T268-S270 PolarHBondContact OG1-OG 2.93Å; T268-S270 VanDerWaalsContact OG1-OG 3.09Å; S270-K273 PolarHBondContact O-N 2.77Å; S270-D274 PolarHBondContact O-N 2.85Å
271	V	88.7	Confident	90.3	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-42.2	177.4	170.4	0	0	0	0	110.9	H232 W237 A267 T268 K273 D274 C275	H232-V271 HydrophobicContact CB-CG1 4.04Å; W237-V271 HydrophobicContact CB-CG2 4.18Å; A267-V271 HydrophobicContact CB-CB 4.43Å; A267-V271 HydrophobicContact CB-CG1 4.09Å; T268-V271 PolarHBondContact O-N 2.88Å; T268-V271 WeakPolarHBondContact OG1-CG2 3.28Å; T268-V271 PolarHBondContact OG1-N 3.05Å; V271-K273 PolarHBondContact O-N 2.63Å; V271-D274 WeakPolarHBondContact O-CB 3.38Å; V271-D274 PolarHBondContact O-N 2.81Å; V271-C275 PolarHBondContact O-N 2.99Å; V271-C275 PolarHBondContact O-SG 3.4Å
272	L	90.6	Very high	89.7	Confident	10 Å²	10	40.6 Å²	40.6	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-45.4	177.3	-67.9	173.3	0	0	0	112	F120 V122 T264 A267 T268 D274 C275 E276 T286	F120-L272 HydrophobicContact CD2-CD2 4.07Å; V122-L272 HydrophobicContact CG2-CD1 3.65Å; V122-L272 HydrophobicContact CG2-CD2 4.03Å; V122-L272 HydrophobicContact CG2-CG 4.39Å; T264-L272 HydrophobicContact CG2-CD2 4.16Å; A267-L272 HydrophobicContact CB-CD2 3.57Å; A267-L272 HydrophobicContact CB-CG 3.82Å; T268-L272 WeakPolarHBondContact O-CG 3.49Å; T268-L272 PolarHBondContact O-N 3.22Å; L272-D274 PolarHBondContact O-N 2.94Å; L272-C275 CarbonylContact O-C 3.57Å; L272-C275 WeakPolarHBondContact O-CA 3.49Å; L272-C275 WeakPolarHBondContact O-CB 3.46Å; L272-C275 PolarHBondContact O-N 3.31Å; L272-E276 WeakPolarHBondContact O-CG 3.31Å; L272-E276 PolarHBondContact O-N 2.78Å; L272-T286 HydrophobicContact CD1-CG2 3.93Å
273	K	90.6	Very high	89.2	Confident	130 Å²	130	47 Å²	47	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-60.1	-33.9	176.3	-74	175.8	-178.9	179.8	0	113.3	S269 S270 V271 K277	S269-K273 WeakPolarHBondContact O-CG 3.4Å; S269-K273 PolarHBondContact O-N 2.84Å; S270-K273 PolarHBondContact O-N 2.77Å; V271-K273 PolarHBondContact O-N 2.63Å; K273-K277 WeakPolarHBondContact O-CG 3.35Å; K273-K277 PolarHBondContact O-N 3.02Å
274	D	91.6	Very high	89	Confident	43 Å²	43	47.6 Å²	47.6	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-41.5	173.4	-165.8	36	0	0	0	110.9	S235 S270 V271 L272 E276 K277 I278	S235-D274 WeakPolarHBondContact CA-OD2 3.5Å; S235-D274 WeakPolarHBondContact CB-OD2 3.45Å; S235-D274 PolarHBondContact OG-OD2 2.7Å; S270-D274 PolarHBondContact O-N 2.85Å; V271-D274 WeakPolarHBondContact O-CB 3.38Å; V271-D274 PolarHBondContact O-N 2.81Å; L272-D274 PolarHBondContact O-N 2.94Å; D274-E276 VanDerWaalsContact C-N 3.34Å; D274-E276 PolarHBondContact O-N 2.71Å; D274-K277 PolarHBondContact O-N 3.09Å; D274-I278 VanDerWaalsContact O-CG1 3.29Å; D274-I278 WeakPolarHBondContact O-CG1 3.29Å; D274-I278 PolarHBondContact O-N 2.95Å
275	C	92.9	Very high	89.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-39.3	175.2	-61.4	0	0	0	0	112.6	F120 V231 C234 V271 L272 K277 I278 L279	F120-C275 HydrophobicContact CE2-CB 4.02Å; F120-C275 HydrophobicContact CZ-CB 4.35Å; V231-C275 HydrophobicContact CG2-CB 4.26Å; V231-C275 PolarHBondContact O-SG 2.87Å; C234-C275 HydrophobicContact CB-CB 4.36Å; V271-C275 PolarHBondContact O-N 2.99Å; V271-C275 PolarHBondContact O-SG 3.4Å; L272-C275 CarbonylContact O-C 3.57Å; L272-C275 WeakPolarHBondContact O-CA 3.49Å; L272-C275 WeakPolarHBondContact O-CB 3.46Å; L272-C275 PolarHBondContact O-N 3.31Å; C275-K277 VanDerWaalsContact C-N 3.34Å; C275-K277 PolarHBondContact O-N 3.4Å; C275-I278 PolarHBondContact O-N 2.82Å; C275-L279 WeakPolarHBondContact O-CB 3.29Å; C275-L279 WeakPolarHBondContact O-CG 3.49Å; C275-L279 PolarHBondContact O-N 3.22Å
276	E	93.8	Very high	89.4	Confident	48 Å²	48	50.7 Å²	50.7	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-55.1	-49	174.5	-71.1	171.4	-170.4	0	0	111.3	F120 L272 D274 C280 V281 P284	F120-E276 HydrophobicContact CD2-CG 4.21Å; F120-E276 HydrophobicContact CE2-CB 4.5Å; F120-E276 HydrophobicContact CE2-CG 3.61Å; F120-E276 HydrophobicContact CZ-CG 4.33Å; L272-E276 WeakPolarHBondContact O-CG 3.31Å; L272-E276 PolarHBondContact O-N 2.78Å; D274-E276 VanDerWaalsContact C-N 3.34Å; D274-E276 PolarHBondContact O-N 2.71Å; E276-C280 PolarHBondContact O-N 3.49Å; E276-C280 VanDerWaalsContact O-N 3.11Å; E276-V281 PolarHBondContact O-N 3.06Å; E276-P284 HydrophobicContact CG-CG 3.64Å
277	K	93.4	Very high	89.9	Confident	161 Å²	161	50.8 Å²	50.8	70%	0.7	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-47.1	178.8	-68	176.2	-177.6	-178.9	0	111.8	K273 D274 C275 C280	K273-K277 WeakPolarHBondContact O-CG 3.35Å; K273-K277 PolarHBondContact O-N 3.02Å; D274-K277 PolarHBondContact O-N 3.09Å; C275-K277 VanDerWaalsContact C-N 3.34Å; C275-K277 PolarHBondContact O-N 3.4Å; K277-C280 PolarHBondContact O-N 2.97Å
278	I	93.6	Very high	90.2	Very high	31 Å²	31	54.3 Å²	54.3	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-41.4	-177	-69.3	171.2	0	0	0	111.5	C234 K246 G249 D274 C275 C280	C234-I278 HydrophobicContact CB-CB 4.37Å; C234-I278 HydrophobicContact CB-CD1 4.16Å; C234-I278 HydrophobicContact CB-CG2 4.02Å; C234-I278 WeakPolarHBondContact O-CD1 3.5Å; K246-I278 HydrophobicContact CB-CG2 4.36Å; K246-I278 HydrophobicContact CG-CG2 4.38Å; G249-I278 WeakPolarHBondContact CA-O 3.33Å; D274-I278 VanDerWaalsContact O-CG1 3.29Å; D274-I278 WeakPolarHBondContact O-CG1 3.29Å; D274-I278 PolarHBondContact O-N 2.95Å; C275-I278 PolarHBondContact O-N 2.82Å; I278-C280 PolarHBondContact O-N 2.91Å
279	L	94.8	Very high	90.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-81.1	-3.8	178.7	-66	179.3	0	0	0	113.4	F120 V228 V231 L248 K252 L260 C275 V281	F120-L279 HydrophobicContact CE1-CD1 4.26Å; F120-L279 HydrophobicContact CZ-CD1 4.02Å; V228-L279 HydrophobicContact CG2-CD1 4.47Å; V231-L279 HydrophobicContact CG2-CD1 3.49Å; V231-L279 VanDerWaalsContact CG2-CD1 3.49Å; L248-L279 HydrophobicContact CB-CD2 3.61Å; K252-L279 WeakPolarHBondContact CB-O 3.42Å; L260-L279 HydrophobicContact CD2-CD1 4.21Å; C275-L279 WeakPolarHBondContact O-CB 3.29Å; C275-L279 WeakPolarHBondContact O-CG 3.49Å; C275-L279 PolarHBondContact O-N 3.22Å; L279-V281 HydrophobicContact CB-CG2 3.81Å; L279-V281 PolarHBondContact O-N 2.89Å
280	C	94.4	Very high	90.4	Very high	55 Å²	55	53.5 Å²	53.5	37%	0.372	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	40.8	-176.7	-52.3	0	0	0	0	112	K252 R253 E276 K277 I278	K252-C280 WeakPolarHBondContact CG-O 3.37Å; R253-C280 HydrophobicContact CG-CB 4.29Å; E276-C280 PolarHBondContact O-N 3.49Å; E276-C280 VanDerWaalsContact O-N 3.11Å; K277-C280 PolarHBondContact O-N 2.97Å; I278-C280 PolarHBondContact O-N 2.91Å
281	V	91	Very high	90.2	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	26%	0.258	C	S	.	.			trans	-100.8	114.1	178.3	-177.1	0	0	0	0	108.1	D118 K252 L260 E276 L279 Q283 P284	D118-V281 HydrophobicContact CB-CG1 3.57Å; K252-V281 HydrophobicContact CG-CG2 4.35Å; L260-V281 HydrophobicContact CB-CG2 4.4Å; L260-V281 HydrophobicContact CD1-CG2 3.9Å; L260-V281 HydrophobicContact CD2-CG2 4.15Å; L260-V281 HydrophobicContact CG-CG2 4.38Å; E276-V281 PolarHBondContact O-N 3.06Å; L279-V281 HydrophobicContact CB-CG2 3.81Å; L279-V281 PolarHBondContact O-N 2.89Å; V281-Q283 PolarHBondContact O-N 3.17Å; V281-P284 HydrophobicContact CG1-CB 3.82Å; V281-P284 HydrophobicContact CG1-CG 4.07Å
282	E	85.4	Confident	90.2	Very high	177 Å²	177	50.6 Å²	50.6	83%	0.827	26%	0.261	S	S	*	.	S	Bend	trans	-80.1	115.7	178.9	-65.3	-176.5	179	0	0	109.8
283	Q	83.9	Confident	90.2	Very high	134 Å²	134	50.4 Å²	50.4	63%	0.626	26%	0.259	S	S	*	.	S	Bend	trans	51.9	58.8	171.9	-58.2	-177.1	-13.4	0	0	114.9	W68 V281	W68-Q283 PolarHBondContact O-OE1 3.45Å; V281-Q283 PolarHBondContact O-N 3.17Å
284	P	91.1	Very high	90.1	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.084	26%	0.26	C	S	.	.			trans	-64.8	149.6	175.9	28	-31.7	0	0	0	111.4	D118 F120 E276 V281 T286	D118-P284 HydrophobicContact CB-CB 4.32Å; D118-P284 WeakPolarHBondContact O-CA 3.43Å; F120-P284 HydrophobicContact CD1-CB 4.28Å; F120-P284 HydrophobicContact CD1-CG 4.43Å; F120-P284 HydrophobicContact CD2-CG 4.04Å; F120-P284 HydrophobicContact CE2-CG 4.16Å; F120-P284 HydrophobicContact CG-CB 4.32Å; F120-P284 HydrophobicContact CG-CG 4.19Å; F120-P284 HydrophobicContact CZ-CG 4.38Å; E276-P284 HydrophobicContact CG-CG 3.64Å; V281-P284 HydrophobicContact CG1-CB 3.82Å; V281-P284 HydrophobicContact CG1-CG 4.07Å; P284-T286 PolarHBondContact O-N 3.04Å
285	V	93.3	Very high	90.2	Very high	17 Å²	17	47.2 Å²	47.2	10%	0.103	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	112.3	170.4	179.9	0	0	0	0	108.5	M70 L75 L112 D118 V119 F120 I287	M70-V285 HydrophobicContact CG-CG2 4.33Å; L75-V285 HydrophobicContact CD2-CG1 3.49Å; L75-V285 VanDerWaalsContact CD2-CG1 3.49Å; L112-V285 HydrophobicContact CD1-CG1 3.74Å; L112-V285 HydrophobicContact CD2-CG1 4.26Å; L112-V285 HydrophobicContact CD2-CG2 4.38Å; D118-V285 PolarHBondContact O-N 3.33Å; V119-V285 CarbonylContact C-O 3.54Å; V119-V285 VanDerWaalsContact CA-O 3.28Å; V119-V285 WeakPolarHBondContact CA-O 3.13Å; V119-V285 WeakPolarHBondContact CG1-O 3.39Å; V119-V285 HydrophobicContact CG2-CB 4.41Å; F120-V285 PolarHBondContact N-O 3.44Å; V285-I287 HydrophobicContact CG1-CG1 4.4Å
286	T	91.4	Very high	90.4	Very high	55 Å²	55	47.2 Å²	47.2	34%	0.337	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.2	178.1	-62.1	0	0	0	0	110.7	F120 L272 P284	F120-T286 CarbonylContact O-C 3.53Å; F120-T286 WeakPolarHBondContact O-CA 3.4Å; L272-T286 HydrophobicContact CD1-CG2 3.93Å; P284-T286 PolarHBondContact O-N 3.04Å
287	I	90.7	Very high	90.5	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.2	176	-52.2	172.4	0	0	0	107.8	L105 R108 A109 L112 V119 F120 L121 V122 V285	L105-I287 HydrophobicContact CB-CG2 4.09Å; L105-I287 HydrophobicContact CD1-CG2 4.03Å; L105-I287 HydrophobicContact CD2-CG2 4.17Å; L105-I287 HydrophobicContact CG-CG2 4.32Å; R108-I287 HydrophobicContact CG-CD1 4.49Å; A109-I287 HydrophobicContact CB-CD1 3.92Å; L112-I287 HydrophobicContact CD1-CD1 3.5Å; L112-I287 HydrophobicContact CD1-CG1 4.15Å; V119-I287 HydrophobicContact CG1-CD1 3.76Å; V119-I287 HydrophobicContact CG1-CG1 4.15Å; F120-I287 PolarHBondContact O-N 2.68Å; L121-I287 HydrophobicContact CD1-CB 3.89Å; L121-I287 HydrophobicContact CD1-CG2 3.87Å; V122-I287 PolarHBondContact N-O 3.08Å; V285-I287 HydrophobicContact CG1-CG1 4.4Å
288	T	88.1	Confident	90.7	Very high	83 Å²	83	37.9 Å²	37.9	51%	0.509	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.8	178.7	-54	0	0	0	0	109.9	V122	V122-T288 HydrophobicContact CB-CG2 4.1Å; V122-T288 HydrophobicContact CG1-CG2 4.23Å
289	A	86.9	Confident	90.8	Very high	13 Å²	13	37 Å²	37	11%	0.107	21%	0.205	C	C	.	.			trans	-82.1	149.2	167.6	0	0	0	0	0	109.9	L105 V122 M123 F291	L105-A289 HydrophobicContact CD1-CB 3.71Å; V122-A289 PolarHBondContact O-N 3.28Å; M123-A289 HydrophobicContact CB-CB 4.15Å; M123-A289 HydrophobicContact CG-CB 3.79Å; A289-F291 PolarHBondContact O-N 3.2Å
290	S	85.5	Confident	90.9	Very high	51 Å²	51	37.4 Å²	37.4	36%	0.357	21%	0.208	S	C	.	.			trans	-57.3	136.7	173.7	178.1	0	0	0	0	111.1	P124 N292 E474	P124-S290 WeakPolarHBondContact CG-O 3.22Å; S290-N292 PolarHBondContact O-N 3.21Å; S290-N292 PolarHBondContact OG-N 3.43Å; S290-E474 VanDerWaalsContact CA-OE2 3.26Å; S290-E474 WeakPolarHBondContact CA-OE2 3.45Å; S290-E474 VanDerWaalsContact CB-OE1 3.3Å; S290-E474 WeakPolarHBondContact CB-OE1 3.43Å; S290-E474 PolarHBondContact OG-OE1 3.5Å; S290-E474 PolarHBondContact OG-OE2 3.24Å
291	F	83.4	Confident	90.8	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.039	19%	0.193	C	C	.	.			trans	-66.3	-20.8	175.3	76.6	-92.1	0	0	0	111.8	A289 R293 Y409 R465 M468 A469 F472 E474 W476	A289-F291 PolarHBondContact O-N 3.2Å; F291-R293 PolarHBondContact O-N 3.13Å; F291-Y409 WeakPolarHBondContact CA-OH 3.47Å; F291-Y409 HydrophobicContact CB-CE2 4.05Å; F291-Y409 HydrophobicContact CD2-CE2 4.09Å; F291-Y409 WeakPolarHBondContact O-CE2 3.31Å; F291-Y409 PolarHBondContact O-OH 3Å; F291-R465 VanDerWaalsContact CZ-O 3.3Å; F291-R465 WeakPolarHBondContact CZ-O 3.35Å; F291-M468 HydrophobicContact CD2-CB 4.27Å; F291-M468 HydrophobicContact CE2-CB 3.82Å; F291-M468 HydrophobicContact CZ-CB 4.32Å; F291-A469 HydrophobicContact CD1-CB 4.44Å; F291-A469 HydrophobicContact CE1-CB 3.34Å; F291-A469 HydrophobicContact CZ-CB 3.57Å; F291-F472 HydrophobicContact CB-CD2 4.37Å; F291-F472 HydrophobicContact CG-CD2 4.37Å; F291-E474 HydrophobicContact CD1-CB 3.98Å; F291-E474 HydrophobicContact CD1-CG 4.25Å; F291-E474 WeakPolarHBondContact CD1-OE2 3.33Å; F291-E474 HydrophobicContact CE1-CB 4Å; F291-E474 HydrophobicContact CE1-CG 4.17Å; F291-E474 PolarHBondContact N-OE2 2.94Å; F291-W476 HydrophobicContact CE1-CE3 4.36Å; F291-W476 HydrophobicContact CZ-CD2 4.47Å; F291-W476 HydrophobicContact CZ-CE3 4.15Å
292	N	88.4	Confident	90.8	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.107	21%	0.213	C	C	.	.			trans	-66.4	132.1	-166.7	-177.7	37.4	0	0	0	112.9	R127 S290 T294 R465 W476	R127-N292 PolarHBondContact NH2-O 3.47Å; S290-N292 PolarHBondContact O-N 3.21Å; S290-N292 PolarHBondContact OG-N 3.43Å; N292-T294 VanDerWaalsContact ND2-CG2 3.32Å; N292-T294 WeakPolarHBondContact ND2-CG2 3.27Å; N292-R465 WeakPolarHBondContact OD1-CD 3.49Å; N292-R465 PolarHBondContact OD1-NE 3.04Å; N292-W476 HydrophobicContact CB-CH2 4.01Å; N292-W476 HydrophobicContact CB-CZ3 3.64Å; N292-W476 VanDerWaalsContact CG-CH2 3.45Å; N292-W476 WeakPolarHBondContact ND2-CH2 3.39Å
293	R	89.3	Confident	91.1	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.019	18%	0.181	C	C	.	.			trans	-114.1	104.3	166.4	-66.3	-74.6	-68.8	-71.9	-8.3	107.4	F291 N295 L296 G413 A415 G416 R465	F291-R293 PolarHBondContact O-N 3.13Å; R293-N295 PolarHBondContact O-N 3.22Å; R293-L296 HydrophobicContact CB-CB 4.39Å; R293-L296 HydrophobicContact CB-CD1 3.68Å; R293-L296 HydrophobicContact CB-CG 3.75Å; R293-L296 HydrophobicContact CG-CD1 4.13Å; R293-L296 PolarHBondContact O-N 3.43Å; R293-G413 PolarHBondContact NH1-O 3.07Å; R293-G413 VanDerWaalsContact NH1-O 3.12Å; R293-A415 PolarHBondContact NH2-O 3.42Å; R293-G416 PolarHBondContact NH2-O 3.39Å; R293-R465 PolarHBondContact O-NH2 3.18Å
294	T	90.4	Very high	91.1	Very high	94 Å²	94	30.2 Å²	30.2	58%	0.577	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.6	-173.1	47.5	0	0	0	0	112.9	N292 M484	N292-T294 VanDerWaalsContact ND2-CG2 3.32Å; N292-T294 WeakPolarHBondContact ND2-CG2 3.27Å; T294-M484 WeakPolarHBondContact O-CE 3.41Å
295	N	93.5	Very high	90.4	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.07	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.6	-178.5	66	-55.6	0	0	0	114.4	R293 G416 D419 L420 P421 A422	R293-N295 PolarHBondContact O-N 3.22Å; N295-G416 WeakPolarHBondContact ND2-CA 3.34Å; N295-G416 PolarHBondContact ND2-O 2.63Å; N295-D419 VanDerWaalsContact CB-O 3.24Å; N295-D419 WeakPolarHBondContact CB-O 3.32Å; N295-L420 PolarHBondContact ND2-O 3.43Å; N295-P421 WeakPolarHBondContact O-CA 3.06Å; N295-A422 PolarHBondContact O-N 3.38Å; N295-A422 VanDerWaalsContact O-N 3.11Å
296	L	95.8	Very high	90	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.5	-177.6	-59.9	-173.7	0	0	0	111.9	R293 Y298 A415 A422 R465	R293-L296 HydrophobicContact CB-CB 4.39Å; R293-L296 HydrophobicContact CB-CD1 3.68Å; R293-L296 HydrophobicContact CB-CG 3.75Å; R293-L296 HydrophobicContact CG-CD1 4.13Å; R293-L296 PolarHBondContact O-N 3.43Å; L296-Y298 HydrophobicContact CB-CE2 4.08Å; L296-A415 HydrophobicContact CD2-CB 3.82Å; L296-A422 CarbonylContact C-O 3.44Å; L296-A422 WeakPolarHBondContact CA-O 3.43Å; L296-A422 HydrophobicContact CD2-CB 3.67Å; L296-R465 PolarHBondContact O-NH2 2.91Å
297	F	97.1	Very high	89.7	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.3	171.1	-179.8	-104.3	0	0	0	109.7	E299 A422 D423 C424 M484 R489	F297-E299 HydrophobicContact CD1-CB 4.36Å; F297-E299 HydrophobicContact CE1-CB 3.79Å; F297-E299 HydrophobicContact CE1-CG 4.4Å; F297-E299 WeakPolarHBondContact CE1-OE2 3.47Å; F297-A422 PolarHBondContact N-O 3.19Å; F297-D423 VanDerWaalsContact CB-OD1 3.28Å; F297-D423 WeakPolarHBondContact CB-OD1 3.35Å; F297-D423 WeakPolarHBondContact CD1-OD1 3.43Å; F297-C424 WeakPolarHBondContact O-CB 3.3Å; F297-C424 PolarHBondContact O-N 3.27Å; F297-M484 WeakPolarHBondContact CA-O 3.17Å; F297-M484 HydrophobicContact CB-CE 4.3Å; F297-M484 VanDerWaalsContact CD2-C 3.44Å; F297-R489 HydrophobicContact CE2-CG 4.46Å; F297-R489 VanDerWaalsContact CE2-NE 3.3Å
298	Y	97.3	Very high	89.6	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.6	-179.8	-65.4	-74.6	0	0	0	111.6	L296 Y408 C424 R465 M468 M484 C485 D486	L296-Y298 HydrophobicContact CB-CE2 4.08Å; Y298-Y408 HydrophobicContact CD1-CE1 4.31Å; Y298-Y408 HydrophobicContact CE1-CE1 4.47Å; Y298-C424 HydrophobicContact CD1-CB 3.66Å; Y298-C424 HydrophobicContact CE1-CB 3.94Å; Y298-R465 HydrophobicContact CD2-CG 4.41Å; Y298-R465 HydrophobicContact CE2-CG 4.41Å; Y298-M468 HydrophobicContact CD1-CE 3.99Å; Y298-M468 HydrophobicContact CE1-CE 3.77Å; Y298-M468 HydrophobicContact CE1-SD 4.43Å; Y298-M468 HydrophobicContact CE2-SD 4.43Å; Y298-M468 HydrophobicContact CG-CE 4.49Å; Y298-M484 PolarHBondContact N-O 2.55Å; Y298-C485 CarbonylContact O-C 3.5Å; Y298-C485 WeakPolarHBondContact O-CA 3.31Å; Y298-C485 WeakPolarHBondContact O-CB 3.21Å; Y298-D486 PolarHBondContact O-N 3.03Å
299	E	96.2	Very high	89.6	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138.7	-178.1	-175.4	177.5	171.5	0	0	111.3	F297 R301 C424 I425 I426 D486	F297-E299 HydrophobicContact CD1-CB 4.36Å; F297-E299 HydrophobicContact CE1-CB 3.79Å; F297-E299 HydrophobicContact CE1-CG 4.4Å; F297-E299 WeakPolarHBondContact CE1-OE2 3.47Å; E299-R301 HydrophobicContact CG-CG 4.24Å; E299-R301 IonicContact OE1-CZ 3.42Å; E299-R301 VanDerWaalsContact OE1-CZ 3.32Å; E299-R301 IonicContact OE1-NE 3.92Å; E299-R301 PolarHBondContact OE1-NE 2.75Å; E299-R301 IonicContact OE1-NH2 2.76Å; E299-R301 PolarHBondContact OE1-NH2 3.38Å; E299-R301 IonicContact OE2-NH2 3.75Å; E299-C424 PolarHBondContact N-O 3.34Å; E299-I425 HydrophobicContact CB-CG1 4.36Å; E299-I425 WeakPolarHBondContact O-CA 3.22Å; E299-I426 PolarHBondContact O-N 3.08Å; E299-D486 HydrophobicContact CB-CB 4.35Å; E299-D486 HydrophobicContact CG-CB 4.14Å
300	V	95.8	Very high	89.8	Confident	10 Å²	10	39.9 Å²	39.9	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.2	170.2	-176.5	0	0	0	0	108.9	I426 F428 Y456 C457 D486	V300-I426 HydrophobicContact CG2-CB 4.45Å; V300-I426 HydrophobicContact CG2-CD1 4.2Å; V300-F428 HydrophobicContact CG1-CB 3.95Å; V300-Y456 HydrophobicContact CG2-CE1 3.97Å; V300-C457 HydrophobicContact CG1-CB 4.19Å; V300-D486 PolarHBondContact N-OD2 2.88Å
301	R	93.6	Very high	90.1	Very high	15 Å²	15	37.6 Å²	37.6	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.3	175.5	-63.8	-173	179.6	-165.9	-0.4	110.3	E299 D313 I425 I426 Y427 F428	E299-R301 HydrophobicContact CG-CG 4.24Å; E299-R301 IonicContact OE1-CZ 3.42Å; E299-R301 VanDerWaalsContact OE1-CZ 3.32Å; E299-R301 IonicContact OE1-NE 3.92Å; E299-R301 PolarHBondContact OE1-NE 2.75Å; E299-R301 IonicContact OE1-NH2 2.76Å; E299-R301 PolarHBondContact OE1-NH2 3.38Å; E299-R301 IonicContact OE2-NH2 3.75Å; R301-D313 IonicContact CZ-OD2 3.26Å; R301-D313 IonicContact NH1-OD1 2.67Å; R301-D313 PolarHBondContact NH1-OD1 3.41Å; R301-D313 IonicContact NH1-OD2 3.66Å; R301-D313 PolarHBondContact NH1-OD2 3.08Å; R301-I425 HydrophobicContact CG-CG2 4.17Å; R301-I426 PolarHBondContact N-O 3Å; R301-Y427 HydrophobicContact CB-CD1 4Å; R301-Y427 HydrophobicContact CB-CE1 4.08Å; R301-Y427 WeakPolarHBondContact O-CA 3.38Å; R301-F428 PolarHBondContact O-N 3.08Å
302	N	91	Very high	90.6	Very high	84 Å²	84	40.6 Å²	40.6	45%	0.449	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.6	168.6	-67.7	-34.2	0	0	0	109.2
303	K	91.1	Very high	90.8	Very high	38 Å²	38	41.6 Å²	41.6	17%	0.165	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-78.4	122.3	174.3	-170.7	168.6	178.8	167.8	0	108.9	L310 H399 T400 F428 D432	K303-L310 HydrophobicContact CD-CD2 4.26Å; K303-L310 HydrophobicContact CG-CD1 4.27Å; K303-L310 HydrophobicContact CG-CD2 3.89Å; K303-H399 PolarHBondContact NZ-CE1 3.37Å; K303-H399 PolarHBondContact NZ-O 3.42Å; K303-T400 PolarHBondContact NZ-OG1 3.49Å; K303-F428 VanDerWaalsContact CB-O 3.32Å; K303-F428 WeakPolarHBondContact CB-O 3.44Å; K303-F428 PolarHBondContact N-O 3.45Å; K303-D432 IonicContact NZ-OD1 3.85Å; K303-D432 IonicContact NZ-OD2 3.22Å; K303-D432 PolarHBondContact NZ-OD2 2.96Å
304	D	83.4	Confident	91.1	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-63.7	144.1	175.2	-155	-45.6	0	0	0	110.1	D306 A309	D304-D306 PolarHBondContact O-N 3.08Å; D304-D306 PolarHBondContact OD1-N 3.44Å; D304-A309 HydrophobicContact CB-CB 4.27Å
305	S	76.9	Confident	91.3	Very high	101 Å²	101	37.6 Å²	37.6	71%	0.706	22%	0.221	S	C	*	.	S	Bend	trans	-65.3	-26	170.4	54.6	0	0	0	0	112.4
306	D	84.6	Confident	91.3	Very high	84 Å²	84	39.4 Å²	39.4	45%	0.449	24%	0.235	S	C	.	.			trans	-85	115.3	172.9	-175.1	1.4	0	0	0	111	D304 D308 A309 L310	D304-D306 PolarHBondContact O-N 3.08Å; D304-D306 PolarHBondContact OD1-N 3.44Å; D306-D308 VanDerWaalsContact C-N 3.25Å; D306-D308 PolarHBondContact O-N 3.07Å; D306-D308 PolarHBondContact OD1-N 2.88Å; D306-A309 HydrophobicContact CB-CB 3.94Å; D306-A309 PolarHBondContact O-N 3.5Å; D306-L310 PolarHBondContact O-N 3.45Å; D306-L310 VanDerWaalsContact O-N 3.12Å
307	S	84.5	Confident	91.3	Very high	65 Å²	65	39.9 Å²	39.9	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-32.2	178.7	-170.2	0	0	0	0	112.3	M311	S307-M311 WeakPolarHBondContact O-CB 3.24Å; S307-M311 VanDerWaalsContact O-CG 3.28Å; S307-M311 WeakPolarHBondContact O-CG 3.31Å; S307-M311 PolarHBondContact O-N 2.75Å
308	D	88.3	Confident	91.2	Very high	98 Å²	98	39.4 Å²	39.4	52%	0.524	24%	0.236	S	C	.	.	H	α-helix	trans	-73.7	-37.6	-179.7	-85.2	-31.8	0	0	0	111.6	D306 M311 S312 R347	D306-D308 VanDerWaalsContact C-N 3.25Å; D306-D308 PolarHBondContact O-N 3.07Å; D306-D308 PolarHBondContact OD1-N 2.88Å; D308-M311 PolarHBondContact O-N 3.37Å; D308-S312 VanDerWaalsContact O-CB 3.31Å; D308-S312 WeakPolarHBondContact O-CB 3.18Å; D308-S312 PolarHBondContact O-N 2.69Å; D308-R347 IonicContact OD1-NH2 2.68Å; D308-R347 PolarHBondContact OD1-NH2 3.15Å; D308-R347 VanDerWaalsContact OD1-NH2 3.08Å
309	A	88.8	Confident	91.1	Very high	35 Å²	35	43.3 Å²	43.3	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-45.7	173.1	0	0	0	0	0	111.4	D304 D306 M311 S312 D313	D304-A309 HydrophobicContact CB-CB 4.27Å; D306-A309 HydrophobicContact CB-CB 3.94Å; D306-A309 PolarHBondContact O-N 3.5Å; A309-M311 PolarHBondContact O-N 3.2Å; A309-S312 WeakPolarHBondContact O-CB 3.44Å; A309-S312 PolarHBondContact O-N 2.93Å; A309-D313 PolarHBondContact O-N 3.47Å
310	L	91	Very high	91	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-49.1	174.7	175.4	65.6	0	0	0	111.8	K303 D306 S312 D313 I314 Y427	K303-L310 HydrophobicContact CD-CD2 4.26Å; K303-L310 HydrophobicContact CG-CD1 4.27Å; K303-L310 HydrophobicContact CG-CD2 3.89Å; D306-L310 PolarHBondContact O-N 3.45Å; D306-L310 VanDerWaalsContact O-N 3.12Å; L310-S312 VanDerWaalsContact C-N 3.27Å; L310-S312 PolarHBondContact O-N 2.75Å; L310-D313 PolarHBondContact O-N 3.18Å; L310-I314 HydrophobicContact CD1-CD1 4.12Å; L310-I314 HydrophobicContact CG-CD1 4.11Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 3.29Å; L310-Y427 HydrophobicContact CD1-CD1 3.35Å; L310-Y427 HydrophobicContact CD1-CD2 4.17Å; L310-Y427 HydrophobicContact CD1-CE1 3.54Å; L310-Y427 HydrophobicContact CD1-CE2 4.33Å; L310-Y427 HydrophobicContact CD1-CG 3.68Å
311	M	92.9	Very high	90.9	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-32.4	179.5	-70.9	-50.6	-56.2	0	0	112.1	S307 D308 A309 I314 T315 V340 E343 L344	S307-M311 WeakPolarHBondContact O-CB 3.24Å; S307-M311 VanDerWaalsContact O-CG 3.28Å; S307-M311 WeakPolarHBondContact O-CG 3.31Å; S307-M311 PolarHBondContact O-N 2.75Å; D308-M311 PolarHBondContact O-N 3.37Å; A309-M311 PolarHBondContact O-N 3.2Å; M311-I314 HydrophobicContact SD-CD1 4.38Å; M311-T315 VanDerWaalsContact O-CB 3.25Å; M311-T315 WeakPolarHBondContact O-CB 3.31Å; M311-T315 PolarHBondContact O-N 3.31Å; M311-T315 PolarHBondContact O-OG1 2.74Å; M311-V340 HydrophobicContact CE-CG1 4.09Å; M311-V340 HydrophobicContact SD-CG1 4.29Å; M311-V340 HydrophobicContact SD-CG2 4.5Å; M311-E343 HydrophobicContact CE-CB 3.91Å; M311-E343 HydrophobicContact CG-CB 4.48Å; M311-L344 HydrophobicContact CE-CD2 3.54Å; M311-L344 HydrophobicContact CE-CG 3.65Å
312	S	92.8	Very high	91	Very high	71 Å²	71	52 Å²	52	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-45.5	174	-168	0	0	0	0	112	D308 A309 L310 T315 S316	D308-S312 VanDerWaalsContact O-CB 3.31Å; D308-S312 WeakPolarHBondContact O-CB 3.18Å; D308-S312 PolarHBondContact O-N 2.69Å; A309-S312 WeakPolarHBondContact O-CB 3.44Å; A309-S312 PolarHBondContact O-N 2.93Å; L310-S312 VanDerWaalsContact C-N 3.27Å; L310-S312 PolarHBondContact O-N 2.75Å; S312-T315 PolarHBondContact O-N 2.98Å; S312-S316 PolarHBondContact O-N 3.33Å
313	D	93.6	Very high	91.2	Very high	42 Å²	42	54.8 Å²	54.8	23%	0.225	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-48.2	176.1	-172.7	30.4	0	0	0	111.2	R301 A309 L310 T315 S316 L317 Y427	R301-D313 IonicContact CZ-OD2 3.26Å; R301-D313 IonicContact NH1-OD1 2.67Å; R301-D313 PolarHBondContact NH1-OD1 3.41Å; R301-D313 IonicContact NH1-OD2 3.66Å; R301-D313 PolarHBondContact NH1-OD2 3.08Å; A309-D313 PolarHBondContact O-N 3.47Å; L310-D313 PolarHBondContact O-N 3.18Å; D313-T315 VanDerWaalsContact C-N 3.27Å; D313-T315 PolarHBondContact O-N 3.43Å; D313-S316 PolarHBondContact O-N 2.9Å; D313-L317 WeakPolarHBondContact O-CG 3.33Å; D313-L317 PolarHBondContact O-N 3.48Å; D313-Y427 PolarHBondContact OD2-OH 2.92Å
314	I	94.4	Very high	91.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-42.5	175.9	-65.6	171.9	0	0	0	110.9	L310 M311 L317 I318 L344 I397 Y427	L310-I314 HydrophobicContact CD1-CD1 4.12Å; L310-I314 HydrophobicContact CG-CD1 4.11Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 3.29Å; M311-I314 HydrophobicContact SD-CD1 4.38Å; I314-L317 PolarHBondContact O-N 2.9Å; I314-I318 HydrophobicContact CG2-CD1 3.71Å; I314-I318 WeakPolarHBondContact O-CD1 3.45Å; I314-I318 VanDerWaalsContact O-CG1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.38Å; I314-I318 PolarHBondContact O-N 2.95Å; I314-I318 VanDerWaalsContact O-N 3.07Å; I314-L344 HydrophobicContact CG2-CD2 4.02Å; I314-I397 HydrophobicContact CG2-CD1 4.41Å; I314-Y427 HydrophobicContact CD1-CD2 4.41Å; I314-Y427 HydrophobicContact CD1-CE2 3.97Å; I314-Y427 HydrophobicContact CG1-CE2 3.62Å
315	T	94.4	Very high	91.7	Very high	14 Å²	14	59.1 Å²	59.1	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-44.2	179	-61.2	0	0	0	0	111.7	M311 S312 D313 I318 K319 R347 I349	M311-T315 VanDerWaalsContact O-CB 3.25Å; M311-T315 WeakPolarHBondContact O-CB 3.31Å; M311-T315 PolarHBondContact O-N 3.31Å; M311-T315 PolarHBondContact O-OG1 2.74Å; S312-T315 PolarHBondContact O-N 2.98Å; D313-T315 VanDerWaalsContact C-N 3.27Å; D313-T315 PolarHBondContact O-N 3.43Å; T315-I318 PolarHBondContact O-N 3.4Å; T315-K319 HydrophobicContact CG2-CD 4.01Å; T315-K319 HydrophobicContact CG2-CG 4.32Å; T315-K319 WeakPolarHBondContact O-CB 3.47Å; T315-K319 WeakPolarHBondContact O-CG 3.34Å; T315-K319 PolarHBondContact O-N 2.91Å; T315-R347 HydrophobicContact CG2-CB 3.85Å; T315-R347 WeakPolarHBondContact OG1-CD 3.4Å; T315-I349 HydrophobicContact CG2-CD1 3.86Å
316	S	95	Very high	92.7	Very high	52 Å²	52	54.7 Å²	54.7	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-44.7	176.3	172.5	0	0	0	0	110.9	S312 D313 I318 K319 D320	S312-S316 PolarHBondContact O-N 3.33Å; D313-S316 PolarHBondContact O-N 2.9Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3.32Å; S316-K319 PolarHBondContact O-N 2.96Å; S316-D320 WeakPolarHBondContact O-CB 3.37Å; S316-D320 VanDerWaalsContact O-CG 3.27Å; S316-D320 PolarHBondContact O-N 2.86Å; S316-D320 PolarHBondContact OG-OD2 2.86Å
317	L	94.9	Very high	93.3	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	27%	0.274	C	S	.	.	I	π-helix	trans	-55.8	-47.2	174.5	-72.5	175.6	0	0	0	112.1	D313 I314 K321 Y322 I425	D313-L317 WeakPolarHBondContact O-CG 3.33Å; D313-L317 PolarHBondContact O-N 3.48Å; I314-L317 PolarHBondContact O-N 2.9Å; L317-K321 WeakPolarHBondContact O-CB 3.36Å; L317-K321 PolarHBondContact O-N 2.98Å; L317-Y322 HydrophobicContact CB-CD2 4.24Å; L317-Y322 HydrophobicContact CB-CE2 4.05Å; L317-Y322 VanDerWaalsContact O-CD2 3.27Å; L317-Y322 WeakPolarHBondContact O-CD2 3.31Å; L317-Y322 PolarHBondContact O-N 3.14Å; L317-I425 HydrophobicContact CD1-CD1 4.04Å
318	I	95.2	Very high	93.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-69.2	-39.7	-177.3	-65.4	165.6	0	0	0	111.7	I314 T315 S316 Y322 K323 L344 I349 V377 F395	I314-I318 HydrophobicContact CG2-CD1 3.71Å; I314-I318 WeakPolarHBondContact O-CD1 3.45Å; I314-I318 VanDerWaalsContact O-CG1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.38Å; I314-I318 PolarHBondContact O-N 2.95Å; I314-I318 VanDerWaalsContact O-N 3.07Å; T315-I318 PolarHBondContact O-N 3.4Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3.32Å; I318-Y322 CarbonylContact O-C 3.43Å; I318-K323 PolarHBondContact O-N 3.48Å; I318-L344 HydrophobicContact CD1-CD2 4.2Å; I318-I349 HydrophobicContact CB-CD1 3.83Å; I318-I349 HydrophobicContact CD1-CD1 3.96Å; I318-I349 HydrophobicContact CG2-CD1 3.77Å; I318-I349 HydrophobicContact CG2-CG1 4.06Å; I318-I349 HydrophobicContact CG2-CG2 4Å; I318-V377 HydrophobicContact CD1-CG2 4.24Å; I318-V377 HydrophobicContact CG2-CG2 4.36Å; I318-F395 HydrophobicContact CD1-CE2 4.33Å; I318-F395 HydrophobicContact CD1-CZ 4.43Å; I318-F395 HydrophobicContact CG1-CE2 3.97Å; I318-F395 HydrophobicContact CG1-CZ 3.86Å; I318-F395 HydrophobicContact CG2-CZ 4.46Å
319	K	94.3	Very high	94.3	Very high	85 Å²	85	43 Å²	43	37%	0.37	23%	0.227	S	C	.	.	I	π-helix	trans	-79.1	-36.6	-178.3	-73.6	-169.7	176	-175.6	0	113.5	T315 S316 K323 R347 D348	T315-K319 HydrophobicContact CG2-CD 4.01Å; T315-K319 HydrophobicContact CG2-CG 4.32Å; T315-K319 WeakPolarHBondContact O-CB 3.47Å; T315-K319 WeakPolarHBondContact O-CG 3.34Å; T315-K319 PolarHBondContact O-N 2.91Å; S316-K319 PolarHBondContact O-N 2.96Å; K319-K323 WeakPolarHBondContact O-CB 3.04Å; K319-R347 WeakPolarHBondContact CE-O 3.4Å; K319-R347 PolarHBondContact NZ-O 3.26Å; K319-D348 IonicContact NZ-OD2 3.17Å
320	D	94.1	Very high	94.8	Very high	119 Å²	119	41.6 Å²	41.6	64%	0.636	22%	0.215	S	C	*	.	I	π-helix	trans	-94.2	-57.8	-172.4	-57.6	-36.4	0	0	0	111.2	S316	S316-D320 WeakPolarHBondContact O-CB 3.37Å; S316-D320 VanDerWaalsContact O-CG 3.27Å; S316-D320 PolarHBondContact O-N 2.86Å; S316-D320 PolarHBondContact OG-OD2 2.86Å
321	K	94.5	Very high	95	Very high	97 Å²	97	41.7 Å²	41.7	42%	0.422	22%	0.216	S	C	.	.	I	π-helix	trans	-83.5	-42.5	-174.6	-171.4	179.2	172.7	-161.7	0	112.3	L317 D423	L317-K321 WeakPolarHBondContact O-CB 3.36Å; L317-K321 PolarHBondContact O-N 2.98Å; K321-D423 WeakPolarHBondContact CE-OD2 3.47Å; K321-D423 IonicContact NZ-OD1 3.79Å; K321-D423 PolarHBondContact NZ-OD1 3.06Å; K321-D423 IonicContact NZ-OD2 2.7Å; K321-D423 PolarHBondContact NZ-OD2 3.45Å
322	Y	95.9	Very high	95.1	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.012	23%	0.226	C	C	.	.	S	Bend	trans	-106.6	31.7	-173.8	-48.2	-57.6	0	0	0	113.5	L317 I318 N324 Q325 Q376 F395 D423	L317-Y322 HydrophobicContact CB-CD2 4.24Å; L317-Y322 HydrophobicContact CB-CE2 4.05Å; L317-Y322 VanDerWaalsContact O-CD2 3.27Å; L317-Y322 WeakPolarHBondContact O-CD2 3.31Å; L317-Y322 PolarHBondContact O-N 3.14Å; I318-Y322 CarbonylContact O-C 3.43Å; Y322-N324 PolarHBondContact O-N 3.25Å; Y322-Q325 WeakPolarHBondContact O-CB 3.48Å; Y322-Q325 PolarHBondContact O-N 3.29Å; Y322-Q376 PolarHBondContact O-NE2 2.73Å; Y322-F395 VanDerWaalsContact CB-CD1 3.47Å; Y322-F395 VanDerWaalsContact CB-CE1 3.46Å; Y322-F395 HydrophobicContact CD1-CB 4.18Å; Y322-F395 AromaticContact CD1-CD1 3.88Å; Y322-F395 HydrophobicContact CD1-CD1 3.88Å; Y322-F395 HydrophobicContact CD1-CG 4.34Å; Y322-F395 HydrophobicContact CD2-CB 4Å; Y322-F395 AromaticContact CD2-CD1 3.62Å; Y322-F395 HydrophobicContact CD2-CD1 3.62Å; Y322-F395 HydrophobicContact CD2-CD2 4.28Å; Y322-F395 HydrophobicContact CD2-CE1 4.09Å; Y322-F395 AromaticContact CD2-CG 3.71Å; Y322-F395 HydrophobicContact CD2-CG 3.71Å; Y322-F395 HydrophobicContact CE1-CB 4.02Å; Y322-F395 HydrophobicContact CE2-CB 3.82Å; Y322-F395 HydrophobicContact CE2-CD1 4.32Å; Y322-F395 HydrophobicContact CE2-CG 4Å; Y322-F395 HydrophobicContact CG-CB 4.19Å; Y322-F395 AromaticContact CG-CD1 3.37Å; Y322-F395 HydrophobicContact CG-CD1 3.37Å; Y322-F395 AromaticContact CG-CE1 3.87Å; Y322-F395 HydrophobicContact CG-CE1 3.87Å; Y322-F395 AromaticContact CG-CG 3.9Å; Y322-F395 HydrophobicContact CG-CG 3.9Å; Y322-D423 HydrophobicContact CE1-CB 4.23Å; Y322-D423 WeakPolarHBondContact CE1-OD2 3.09Å; Y322-D423 WeakPolarHBondContact OH-CB 3.19Å; Y322-D423 VanDerWaalsContact OH-CG 3.27Å; Y322-D423 PolarHBondContact OH-OD2 3.15Å
323	K	93.8	Very high	95.2	Very high	143 Å²	143	42.1 Å²	42.1	62%	0.622	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	125.7	-179.7	-170.2	174.4	-180	175.6	0	110.8	I318 K319 Q325	I318-K323 PolarHBondContact O-N 3.48Å; K319-K323 WeakPolarHBondContact O-CB 3.04Å; K323-Q325 PolarHBondContact O-N 3.44Å
324	N	91.6	Very high	95.3	Very high	144 Å²	144	43.2 Å²	43.2	77%	0.77	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	19.9	-178.5	-55.1	-29.6	0	0	0	114.8	Y322	Y322-N324 PolarHBondContact O-N 3.25Å
325	Q	95.4	Very high	95.3	Very high	70 Å²	70	50.6 Å²	50.6	33%	0.327	25%	0.248	S	C	.	.			trans	-105.8	144.8	176.2	-64.5	179.2	5.4	0	0	110.5	Y322 K323 Q376 R394	Y322-Q325 WeakPolarHBondContact O-CB 3.48Å; Y322-Q325 PolarHBondContact O-N 3.29Å; K323-Q325 PolarHBondContact O-N 3.44Å; Q325-Q376 WeakPolarHBondContact O-CG 3.28Å; Q325-Q376 PolarHBondContact O-NE2 2.91Å; Q325-R394 HydrophobicContact CB-CB 3.84Å; Q325-R394 HydrophobicContact CB-CG 3.73Å; Q325-R394 HydrophobicContact CG-CB 4.33Å; Q325-R394 HydrophobicContact CG-CG 3.87Å
326	S	96.5	Very high	95.4	Very high	8 Å²	8	50.5 Å²	50.5	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	142.5	177.7	-61.2	0	0	0	0	111.8	N373 Q376 K390 R394	S326-N373 PolarHBondContact OG-OD1 3.41Å; S326-Q376 WeakPolarHBondContact CA-O 3.49Å; S326-K390 VanDerWaalsContact OG-CE 3.27Å; S326-K390 WeakPolarHBondContact OG-CE 3.26Å; S326-R394 PolarHBondContact O-N 3.17Å
327	G	96.7	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	174.1	175.1	0	0	0	0	0	114.1	W370 Q376 V377 V378 F395	G327-W370 PolarHBondContact O-NE1 3.21Å; G327-Q376 PolarHBondContact N-O 2.87Å; G327-V377 WeakPolarHBondContact O-CA 3.47Å; G327-V378 PolarHBondContact O-N 3.19Å; G327-F395 CarbonylContact C-O 3.13Å; G327-F395 WeakPolarHBondContact CA-O 3.26Å
328	I	97.6	Very high	95.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.3	179.2	-54.8	174.8	0	0	0	108.3	Y330 W370 V378 F384 V393 F395 V396 I397 R414	I328-Y330 HydrophobicContact CG2-CD1 4.5Å; I328-Y330 HydrophobicContact CG2-CD2 4.06Å; I328-Y330 HydrophobicContact CG2-CE1 4.26Å; I328-Y330 HydrophobicContact CG2-CE2 3.81Å; I328-Y330 HydrophobicContact CG2-CG 4.4Å; I328-W370 HydrophobicContact CD1-CH2 4.02Å; I328-W370 HydrophobicContact CD1-CZ2 3.99Å; I328-W370 HydrophobicContact CG1-CH2 4.25Å; I328-W370 HydrophobicContact CG1-CZ2 3.7Å; I328-V378 WeakPolarHBondContact CA-O 3.4Å; I328-F384 HydrophobicContact CD1-CD1 4.28Å; I328-F384 HydrophobicContact CD1-CE1 3.88Å; I328-F384 HydrophobicContact CG1-CE1 4.11Å; I328-F384 HydrophobicContact CG2-CD1 4.16Å; I328-F384 HydrophobicContact CG2-CE1 4.46Å; I328-V393 HydrophobicContact CD1-CG1 4.44Å; I328-V393 HydrophobicContact CG1-CG1 4.33Å; I328-F395 PolarHBondContact N-O 3.26Å; I328-V396 HydrophobicContact CB-CG2 4.39Å; I328-V396 WeakPolarHBondContact O-CA 3.48Å; I328-I397 PolarHBondContact O-N 2.9Å; I328-R414 HydrophobicContact CD1-CB 4.29Å
329	V	97.9	Very high	95.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.9	170.3	179.9	0	0	0	0	108.7	V331 V340 V377 V378 V379 A380 I397 H399	V329-V331 HydrophobicContact CG1-CG1 4.4Å; V329-V340 HydrophobicContact CG1-CG1 4.31Å; V329-V377 HydrophobicContact CB-CG1 4.39Å; V329-V377 HydrophobicContact CG2-CG1 3.62Å; V329-V378 PolarHBondContact N-O 3.37Å; V329-V379 HydrophobicContact CB-CG1 4.38Å; V329-V379 HydrophobicContact CB-CG2 4.25Å; V329-V379 HydrophobicContact CG1-CG1 4.4Å; V329-V379 CarbonylContact O-C 3.56Å; V329-V379 WeakPolarHBondContact O-CA 3.22Å; V329-A380 PolarHBondContact O-N 2.82Å; V329-I397 CarbonylContact C-O 3.58Å; V329-I397 VanDerWaalsContact CA-O 3.24Å; V329-I397 WeakPolarHBondContact CA-O 3.43Å; V329-I397 HydrophobicContact CG2-CB 4.28Å; V329-H399 HydrophobicContact CG1-CB 4.12Å
330	Y	97.9	Very high	95.6	Very high	6 Å²	6	52.5 Å²	52.5	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.4	176.1	-79.8	-63.4	0	0	0	111.7	I328 A380 F384 V396 I397 H398 H399 E411 R414	I328-Y330 HydrophobicContact CG2-CD1 4.5Å; I328-Y330 HydrophobicContact CG2-CD2 4.06Å; I328-Y330 HydrophobicContact CG2-CE1 4.26Å; I328-Y330 HydrophobicContact CG2-CE2 3.81Å; I328-Y330 HydrophobicContact CG2-CG 4.4Å; Y330-A380 CarbonylContact C-O 3.49Å; Y330-A380 VanDerWaalsContact CA-O 3.31Å; Y330-A380 WeakPolarHBondContact CA-O 3.34Å; Y330-A380 WeakPolarHBondContact CD1-O 3.31Å; Y330-F384 WeakPolarHBondContact CE1-O 3.46Å; Y330-F384 PolarHBondContact OH-O 3.1Å; Y330-V396 HydrophobicContact CD2-CG1 3.79Å; Y330-V396 HydrophobicContact CE2-CG1 3.99Å; Y330-I397 PolarHBondContact N-O 3.29Å; Y330-H398 AromaticContact CD2-CE1 3.89Å; Y330-H398 AromaticContact CD2-NE2 3.78Å; Y330-H399 WeakPolarHBondContact O-CB 3.36Å; Y330-H399 PolarHBondContact O-N 3.46Å; Y330-E411 HydrophobicContact CD2-CB 3.89Å; Y330-E411 HydrophobicContact CD2-CG 4.24Å; Y330-E411 HydrophobicContact CE1-CG 4.46Å; Y330-E411 HydrophobicContact CE2-CB 3.57Å; Y330-E411 HydrophobicContact CE2-CG 3.91Å; Y330-R414 WeakPolarHBondContact OH-CD 3.5Å; Y330-R414 PolarHBondContact OH-NE 3.37Å
331	V	96.8	Very high	95.7	Very high	9 Å²	9	47 Å²	47	6%	0.055	22%	0.224	C	C	.	.			trans	-124.8	158.8	-179.8	-65	0	0	0	0	111.1	V329 D336 A337 V340 V379 A380 T381 H399	V329-V331 HydrophobicContact CG1-CG1 4.4Å; V331-D336 HydrophobicContact CB-CB 3.88Å; V331-D336 HydrophobicContact CG1-CB 4.36Å; V331-D336 HydrophobicContact CG2-CB 4.27Å; V331-A337 HydrophobicContact CG2-CB 3.67Å; V331-V340 HydrophobicContact CG1-CB 4.38Å; V331-V340 HydrophobicContact CG1-CG2 4.21Å; V331-V379 HydrophobicContact CG1-CG1 3.79Å; V331-V379 HydrophobicContact CG2-CG1 4.39Å; V331-A380 WeakPolarHBondContact CG2-O 3.18Å; V331-A380 PolarHBondContact N-O 3.31Å; V331-T381 HydrophobicContact CG2-CG2 4.3Å; V331-H399 HydrophobicContact CG1-CB 3.93Å
332	F	94.9	Very high	95.8	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.237	22%	0.221	C	C	.	.	S	Bend	trans	-71	-48.8	-177.4	174.7	-105.1	0	0	0	113.3	T400 R435 I436 M439	F332-T400 HydrophobicContact CB-CG2 3.87Å; F332-R435 VanDerWaalsContact CD1-NH2 3.33Å; F332-R435 HydrophobicContact CE1-CB 4.29Å; F332-R435 HydrophobicContact CZ-CB 4.26Å; F332-R435 WeakPolarHBondContact CZ-O 3.32Å; F332-I436 HydrophobicContact CD2-CG1 3.72Å; F332-I436 HydrophobicContact CE2-CB 4.3Å; F332-I436 HydrophobicContact CE2-CG1 3.63Å; F332-M439 HydrophobicContact CE2-CB 4.41Å; F332-M439 HydrophobicContact CE2-CE 4.09Å; F332-M439 HydrophobicContact CE2-SD 3.75Å; F332-M439 HydrophobicContact CZ-CB 4.21Å; F332-M439 HydrophobicContact CZ-SD 4.03Å
333	S	94.8	Very high	95.8	Very high	30 Å²	30	46.8 Å²	46.8	21%	0.21	23%	0.23	C	C	.	.	S	Bend	trans	-121.2	164	-173.1	73.7	0	0	0	0	113.5	K335 D336 A337	S333-K335 VanDerWaalsContact C-N 3.29Å; S333-K335 PolarHBondContact O-N 3.47Å; S333-D336 PolarHBondContact N-OD2 3.46Å; S333-D336 WeakPolarHBondContact O-CB 3.23Å; S333-D336 PolarHBondContact O-N 3.38Å; S333-D336 PolarHBondContact OG-N 3.2Å; S333-D336 VanDerWaalsContact OG-N 3.14Å; S333-D336 PolarHBondContact OG-OD1 3.16Å; S333-D336 PolarHBondContact OG-OD2 2.84Å; S333-A337 PolarHBondContact O-N 3.36Å; S333-A337 VanDerWaalsContact O-N 3.08Å
334	Q	94.8	Very high	95.9	Very high	64 Å²	64	40 Å²	40	30%	0.299	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-40.1	175.4	-48.5	-166.7	26.3	0	0	111.4	D336 A337 E338 H355 N357 T381	Q334-D336 VanDerWaalsContact C-N 3.31Å; Q334-D336 PolarHBondContact O-N 3.34Å; Q334-A337 WeakPolarHBondContact O-CB 3.45Å; Q334-A337 PolarHBondContact O-N 3.04Å; Q334-E338 PolarHBondContact O-N 3.48Å; Q334-H355 HydrophobicContact CB-CB 4.07Å; Q334-H355 HydrophobicContact CG-CB 3.94Å; Q334-H355 PolarHBondContact OE1-ND1 3.13Å; Q334-N357 PolarHBondContact NE2-OD1 3.04Å; Q334-N357 PolarHBondContact OE1-OD1 2.85Å; Q334-T381 HydrophobicContact CG-CG2 4.44Å
335	K	95.1	Very high	96.1	Very high	155 Å²	155	37.3 Å²	37.3	67%	0.674	18%	0.182	S	C	*	.	H	α-helix	trans	-61	-40.4	174.4	-173.6	179.1	-179.9	-179.4	0	111.8	S333 A337 E338 M339	S333-K335 VanDerWaalsContact C-N 3.29Å; S333-K335 PolarHBondContact O-N 3.47Å; K335-A337 VanDerWaalsContact C-N 3.27Å; K335-A337 PolarHBondContact O-N 3.14Å; K335-E338 PolarHBondContact O-N 2.81Å; K335-M339 WeakPolarHBondContact O-CB 3.5Å; K335-M339 PolarHBondContact O-N 2.65Å
336	D	95.2	Very high	96.1	Very high	13 Å²	13	41 Å²	41	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-33.4	175.9	-60.9	-33	0	0	0	110.9	V331 S333 Q334 M339 V340 R435	V331-D336 HydrophobicContact CB-CB 3.88Å; V331-D336 HydrophobicContact CG1-CB 4.36Å; V331-D336 HydrophobicContact CG2-CB 4.27Å; S333-D336 PolarHBondContact N-OD2 3.46Å; S333-D336 WeakPolarHBondContact O-CB 3.23Å; S333-D336 PolarHBondContact O-N 3.38Å; S333-D336 PolarHBondContact OG-N 3.2Å; S333-D336 VanDerWaalsContact OG-N 3.14Å; S333-D336 PolarHBondContact OG-OD1 3.16Å; S333-D336 PolarHBondContact OG-OD2 2.84Å; Q334-D336 VanDerWaalsContact C-N 3.31Å; Q334-D336 PolarHBondContact O-N 3.34Å; D336-M339 PolarHBondContact O-N 3.19Å; D336-V340 VanDerWaalsContact O-CB 3.26Å; D336-V340 WeakPolarHBondContact O-CB 3.31Å; D336-V340 VanDerWaalsContact O-CG2 3.26Å; D336-V340 WeakPolarHBondContact O-CG2 3.17Å; D336-V340 PolarHBondContact O-N 3.35Å; D336-R435 IonicContact OD1-NH2 3.6Å; D336-R435 IonicContact OD2-CZ 3.08Å; D336-R435 IonicContact OD2-NH1 2.75Å; D336-R435 IonicContact OD2-NH2 3.82Å; D336-R435 PolarHBondContact OD2-NH2 2.92Å
337	A	96.6	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-45.6	178.7	0	0	0	0	0	111.7	V331 S333 Q334 K335 S341 P353	V331-A337 HydrophobicContact CG2-CB 3.67Å; S333-A337 PolarHBondContact O-N 3.36Å; S333-A337 VanDerWaalsContact O-N 3.08Å; Q334-A337 WeakPolarHBondContact O-CB 3.45Å; Q334-A337 PolarHBondContact O-N 3.04Å; K335-A337 VanDerWaalsContact C-N 3.27Å; K335-A337 PolarHBondContact O-N 3.14Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 2.96Å; A337-S341 VanDerWaalsContact O-N 3.08Å; A337-S341 PolarHBondContact O-OG 3.26Å; A337-P353 HydrophobicContact CB-CB 4.32Å
338	E	96.5	Very high	95.9	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-43.8	176.1	-67.5	176.6	-174.6	0	0	111.9	Q334 K335 S341 S342 H355	Q334-E338 PolarHBondContact O-N 3.48Å; K335-E338 PolarHBondContact O-N 2.81Å; E338-S341 PolarHBondContact O-OG 3.23Å; E338-S342 VanDerWaalsContact O-CB 3.31Å; E338-S342 WeakPolarHBondContact O-CB 3.35Å; E338-S342 PolarHBondContact O-N 3Å; E338-S342 PolarHBondContact O-OG 2.81Å; E338-H355 IonicContact OE1-CE1 2.92Å; E338-H355 IonicContact OE1-NE2 2.64Å; E338-H355 PolarHBondContact OE1-NE2 3.41Å
339	M	95.9	Very high	95.8	Very high	85 Å²	85	49.8 Å²	49.8	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-56.3	179.1	-174.7	-152.7	-55.7	0	0	111.4	K335 D336 S341 S342 E343	K335-M339 WeakPolarHBondContact O-CB 3.5Å; K335-M339 PolarHBondContact O-N 2.65Å; D336-M339 PolarHBondContact O-N 3.19Å; M339-S341 VanDerWaalsContact C-N 3.34Å; M339-S341 PolarHBondContact O-N 2.86Å; M339-S342 WeakPolarHBondContact O-CB 3.35Å; M339-S342 PolarHBondContact O-N 3.4Å; M339-S342 VanDerWaalsContact O-N 3.16Å; M339-E343 WeakPolarHBondContact O-CG 3.49Å; M339-E343 PolarHBondContact O-N 2.78Å
340	V	96.3	Very high	95.7	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-39.2	-175.8	171.4	0	0	0	0	110.9	M311 V329 V331 D336 S342 E343 L344 V379	M311-V340 HydrophobicContact CE-CG1 4.09Å; M311-V340 HydrophobicContact SD-CG1 4.29Å; M311-V340 HydrophobicContact SD-CG2 4.5Å; V329-V340 HydrophobicContact CG1-CG1 4.31Å; V331-V340 HydrophobicContact CG1-CB 4.38Å; V331-V340 HydrophobicContact CG1-CG2 4.21Å; D336-V340 VanDerWaalsContact O-CB 3.26Å; D336-V340 WeakPolarHBondContact O-CB 3.31Å; D336-V340 VanDerWaalsContact O-CG2 3.26Å; D336-V340 WeakPolarHBondContact O-CG2 3.17Å; D336-V340 PolarHBondContact O-N 3.35Å; V340-S342 PolarHBondContact O-N 2.82Å; V340-E343 PolarHBondContact O-N 3.27Å; V340-L344 HydrophobicContact CG1-CD1 4.1Å; V340-L344 HydrophobicContact CG1-CG 4.45Å; V340-L344 WeakPolarHBondContact O-CB 3.31Å; V340-L344 VanDerWaalsContact O-CG 3.3Å; V340-L344 WeakPolarHBondContact O-CG 3.29Å; V340-L344 PolarHBondContact O-N 3.32Å; V340-V379 HydrophobicContact CB-CG1 3.89Å; V340-V379 HydrophobicContact CG1-CG1 3.81Å; V340-V379 HydrophobicContact CG1-CG2 4.33Å
341	S	96.4	Very high	95.6	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-40.3	175	61.3	0	0	0	0	112.4	A337 E338 M339 L344 K345 P353	A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 2.96Å; A337-S341 VanDerWaalsContact O-N 3.08Å; A337-S341 PolarHBondContact O-OG 3.26Å; E338-S341 PolarHBondContact O-OG 3.23Å; M339-S341 VanDerWaalsContact C-N 3.34Å; M339-S341 PolarHBondContact O-N 2.86Å; S341-L344 PolarHBondContact O-N 3.41Å; S341-K345 WeakPolarHBondContact O-CG 3.31Å; S341-K345 PolarHBondContact O-N 3.45Å; S341-P353 WeakPolarHBondContact OG-CD 3.23Å
342	S	96.3	Very high	95.6	Very high	54 Å²	54	57.6 Å²	57.6	38%	0.378	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-41.5	176.3	-60.7	0	0	0	0	111.9	E338 M339 V340 K345 K346	E338-S342 VanDerWaalsContact O-CB 3.31Å; E338-S342 WeakPolarHBondContact O-CB 3.35Å; E338-S342 PolarHBondContact O-N 3Å; E338-S342 PolarHBondContact O-OG 2.81Å; M339-S342 WeakPolarHBondContact O-CB 3.35Å; M339-S342 PolarHBondContact O-N 3.4Å; M339-S342 VanDerWaalsContact O-N 3.16Å; V340-S342 PolarHBondContact O-N 2.82Å; S342-K345 PolarHBondContact O-N 3.18Å; S342-K346 WeakPolarHBondContact O-CG 3.47Å; S342-K346 PolarHBondContact O-N 2.91Å
343	E	95.6	Very high	95.7	Very high	42 Å²	42	56.1 Å²	56.1	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-35.3	177.6	-74.5	-52.1	125.6	0	0	113.3	M311 M339 V340 K346 R347	M311-E343 HydrophobicContact CE-CB 3.91Å; M311-E343 HydrophobicContact CG-CB 4.48Å; M339-E343 WeakPolarHBondContact O-CG 3.49Å; M339-E343 PolarHBondContact O-N 2.78Å; V340-E343 PolarHBondContact O-N 3.27Å; E343-K346 IonicContact OE1-NZ 2.99Å; E343-K346 PolarHBondContact OE1-NZ 3.36Å; E343-R347 WeakPolarHBondContact O-CG 3.28Å; E343-R347 PolarHBondContact O-N 2.93Å; E343-R347 PolarHBondContact O-NH1 2.86Å; E343-R347 IonicContact OE2-CZ 3.47Å; E343-R347 IonicContact OE2-NH1 3.17Å; E343-R347 PolarHBondContact OE2-NH1 3.45Å; E343-R347 IonicContact OE2-NH2 3.47Å
344	L	95.7	Very high	95.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.9	-40.2	172.2	-70.5	174.2	0	0	0	111.7	M311 I314 I318 V340 S341 K346 R347 D348 I349 A351 V379	M311-L344 HydrophobicContact CE-CD2 3.54Å; M311-L344 HydrophobicContact CE-CG 3.65Å; I314-L344 HydrophobicContact CG2-CD2 4.02Å; I318-L344 HydrophobicContact CD1-CD2 4.2Å; V340-L344 HydrophobicContact CG1-CD1 4.1Å; V340-L344 HydrophobicContact CG1-CG 4.45Å; V340-L344 WeakPolarHBondContact O-CB 3.31Å; V340-L344 VanDerWaalsContact O-CG 3.3Å; V340-L344 WeakPolarHBondContact O-CG 3.29Å; V340-L344 PolarHBondContact O-N 3.32Å; S341-L344 PolarHBondContact O-N 3.41Å; L344-K346 PolarHBondContact O-N 3.07Å; L344-R347 CarbonylContact O-C 3.58Å; L344-R347 WeakPolarHBondContact O-CA 3.37Å; L344-R347 PolarHBondContact O-N 3.25Å; L344-D348 PolarHBondContact O-N 3.4Å; L344-I349 HydrophobicContact CB-CB 4.22Å; L344-I349 HydrophobicContact CB-CG2 4.46Å; L344-I349 HydrophobicContact CD2-CD1 3.85Å; L344-I349 WeakPolarHBondContact O-CB 3.25Å; L344-I349 PolarHBondContact O-N 2.97Å; L344-A351 HydrophobicContact CB-CB 3.61Å; L344-A351 HydrophobicContact CD1-CB 3.89Å; L344-A351 HydrophobicContact CG-CB 4.41Å; L344-V379 HydrophobicContact CD1-CG2 3.85Å
345	K	95.9	Very high	95.6	Very high	89 Å²	89	53.9 Å²	53.9	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-43.2	174.6	-76.5	179.2	-170.6	-178.9	0	112.2	S341 S342 R347 D348 I349 A351	S341-K345 WeakPolarHBondContact O-CG 3.31Å; S341-K345 PolarHBondContact O-N 3.45Å; S342-K345 PolarHBondContact O-N 3.18Å; K345-R347 PolarHBondContact O-N 3.29Å; K345-D348 PolarHBondContact O-N 3.31Å; K345-I349 WeakPolarHBondContact CA-O 3.42Å; K345-A351 WeakPolarHBondContact CE-O 3.45Å; K345-A351 WeakPolarHBondContact CG-O 3.35Å
346	K	95.6	Very high	95.2	Very high	146 Å²	146	49.2 Å²	49.2	64%	0.635	25%	0.246	S	C	*	.	H	α-helix	trans	-59.6	-24.7	175.1	-73.5	174.7	-173.7	172.5	0	113	S342 E343 L344	S342-K346 WeakPolarHBondContact O-CG 3.47Å; S342-K346 PolarHBondContact O-N 2.91Å; E343-K346 IonicContact OE1-NZ 2.99Å; E343-K346 PolarHBondContact OE1-NZ 3.36Å; L344-K346 PolarHBondContact O-N 3.07Å
347	R	94.5	Very high	95	Very high	53 Å²	53	54.5 Å²	54.5	20%	0.2	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	25.8	178.4	-63.7	175.9	177.8	77.7	-4.8	112	D308 T315 K319 E343 L344 K345 I349	D308-R347 IonicContact OD1-NH2 2.68Å; D308-R347 PolarHBondContact OD1-NH2 3.15Å; D308-R347 VanDerWaalsContact OD1-NH2 3.08Å; T315-R347 HydrophobicContact CG2-CB 3.85Å; T315-R347 WeakPolarHBondContact OG1-CD 3.4Å; K319-R347 WeakPolarHBondContact CE-O 3.4Å; K319-R347 PolarHBondContact NZ-O 3.26Å; E343-R347 WeakPolarHBondContact O-CG 3.28Å; E343-R347 PolarHBondContact O-N 2.93Å; E343-R347 PolarHBondContact O-NH1 2.86Å; E343-R347 IonicContact OE2-CZ 3.47Å; E343-R347 IonicContact OE2-NH1 3.17Å; E343-R347 PolarHBondContact OE2-NH1 3.45Å; E343-R347 IonicContact OE2-NH2 3.47Å; L344-R347 CarbonylContact O-C 3.58Å; L344-R347 WeakPolarHBondContact O-CA 3.37Å; L344-R347 PolarHBondContact O-N 3.25Å; K345-R347 PolarHBondContact O-N 3.29Å; R347-I349 PolarHBondContact O-N 3.14Å
348	D	94.1	Very high	94.6	Very high	138 Å²	138	56 Å²	56	74%	0.738	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	30.3	176.9	-49.7	-56.7	0	0	0	115.7	K319 L344 K345	K319-D348 IonicContact NZ-OD2 3.17Å; L344-D348 PolarHBondContact O-N 3.4Å; K345-D348 PolarHBondContact O-N 3.31Å
349	I	94.8	Very high	94.3	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	29%	0.287	C	S	.	.			trans	-105.5	131.5	172.7	-64.1	166.8	0	0	0	109.1	T315 I318 L344 K345 R347 A351 V377	T315-I349 HydrophobicContact CG2-CD1 3.86Å; I318-I349 HydrophobicContact CB-CD1 3.83Å; I318-I349 HydrophobicContact CD1-CD1 3.96Å; I318-I349 HydrophobicContact CG2-CD1 3.77Å; I318-I349 HydrophobicContact CG2-CG1 4.06Å; I318-I349 HydrophobicContact CG2-CG2 4Å; L344-I349 HydrophobicContact CB-CB 4.22Å; L344-I349 HydrophobicContact CB-CG2 4.46Å; L344-I349 HydrophobicContact CD2-CD1 3.85Å; L344-I349 WeakPolarHBondContact O-CB 3.25Å; L344-I349 PolarHBondContact O-N 2.97Å; K345-I349 WeakPolarHBondContact CA-O 3.42Å; R347-I349 PolarHBondContact O-N 3.14Å; I349-A351 HydrophobicContact CG2-CB 4.23Å; I349-A351 PolarHBondContact O-N 2.96Å; I349-V377 HydrophobicContact CG2-CB 4.47Å; I349-V377 HydrophobicContact CG2-CG2 3.95Å
350	L	95.5	Very high	93.6	Very high	103 Å²	103	56 Å²	56	54%	0.539	29%	0.291	S	S	.	.			trans	-73.9	77.1	174.2	-64.6	176.5	0	0	0	110.2	I375 Q376 V377	L350-I375 WeakPolarHBondContact O-CG2 3.2Å; L350-Q376 HydrophobicContact CB-CB 4.25Å; L350-Q376 PolarHBondContact O-N 3.26Å; L350-Q376 VanDerWaalsContact O-N 3.08Å; L350-V377 PolarHBondContact O-N 3.18Å
351	A	96.6	Very high	93.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	-179.4	0	0	0	0	0	111.4	L344 K345 I349 V377 V379	L344-A351 HydrophobicContact CB-CB 3.61Å; L344-A351 HydrophobicContact CD1-CB 3.89Å; L344-A351 HydrophobicContact CG-CB 4.41Å; K345-A351 WeakPolarHBondContact CE-O 3.45Å; K345-A351 WeakPolarHBondContact CG-O 3.35Å; I349-A351 HydrophobicContact CG2-CB 4.23Å; I349-A351 PolarHBondContact O-N 2.96Å; A351-V377 CarbonylContact C-O 3.59Å; A351-V377 WeakPolarHBondContact CA-O 3.3Å; A351-V377 HydrophobicContact CB-CB 4.17Å; A351-V379 HydrophobicContact CB-CG2 4.17Å
352	Y	96.8	Very high	92.7	Very high	76 Å²	76	65.1 Å²	65.1	30%	0.298	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145	175.2	-78.5	-100.7	0	0	0	111.8	I375 V377 V379	Y352-I375 HydrophobicContact CD2-CB 4.44Å; Y352-I375 HydrophobicContact CD2-CD1 3.53Å; Y352-I375 HydrophobicContact CD2-CG1 3.65Å; Y352-I375 HydrophobicContact CD2-CG2 3.97Å; Y352-I375 HydrophobicContact CE2-CD1 4.05Å; Y352-I375 HydrophobicContact CE2-CG1 3.91Å; Y352-I375 HydrophobicContact CG-CD1 3.85Å; Y352-I375 HydrophobicContact CG-CG1 4.46Å; Y352-V377 PolarHBondContact N-O 2.87Å; Y352-V379 PolarHBondContact O-N 2.92Å
353	P	97.1	Very high	92.2	Very high	22 Å²	22	64.5 Å²	64.5	14%	0.143	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	150.9	177.5	31.1	-33.4	0	0	0	111.4	A337 S341 M358 V379	A337-P353 HydrophobicContact CB-CB 4.32Å; S341-P353 WeakPolarHBondContact OG-CD 3.23Å; P353-M358 WeakPolarHBondContact O-CE 3.07Å; P353-M358 VanDerWaalsContact O-SD 3.34Å; P353-V379 CarbonylContact C-O 3.52Å; P353-V379 VanDerWaalsContact CA-O 3.22Å; P353-V379 WeakPolarHBondContact CA-O 3.44Å
354	Y	94.3	Very high	91.6	Very high	39 Å²	39	65.9 Å²	65.9	15%	0.153	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	113.1	168.2	-166.1	-72.2	0	0	0	110.9	M358 K363 V366 V379 A380 T381 F384	Y354-M358 WeakPolarHBondContact CA-SD 3.34Å; Y354-K363 HydrophobicContact CE1-CG 4.45Å; Y354-K363 HydrophobicContact CE2-CB 3.73Å; Y354-K363 HydrophobicContact CE2-CG 3.97Å; Y354-V366 HydrophobicContact CD2-CB 4.39Å; Y354-V366 HydrophobicContact CD2-CG1 4.12Å; Y354-V379 PolarHBondContact N-O 3.3Å; Y354-A380 VanDerWaalsContact O-CA 3.23Å; Y354-A380 WeakPolarHBondContact O-CA 3.45Å; Y354-A380 WeakPolarHBondContact O-CB 3.39Å; Y354-T381 PolarHBondContact O-N 3.36Å; Y354-F384 HydrophobicContact CD1-CB 3.5Å; Y354-F384 VanDerWaalsContact CD1-CB 3.5Å; Y354-F384 AromaticContact CD1-CD2 3.62Å; Y354-F384 HydrophobicContact CD1-CD2 3.62Å; Y354-F384 AromaticContact CD1-CG 3.99Å; Y354-F384 HydrophobicContact CD1-CG 3.99Å; Y354-F384 AromaticContact CD2-CD2 3.56Å; Y354-F384 HydrophobicContact CD2-CD2 3.56Å; Y354-F384 AromaticContact CD2-CE2 3.99Å; Y354-F384 HydrophobicContact CD2-CE2 3.99Å; Y354-F384 HydrophobicContact CE1-CB 4.02Å; Y354-F384 AromaticContact CE1-CD2 3.8Å; Y354-F384 HydrophobicContact CE1-CD2 3.8Å; Y354-F384 HydrophobicContact CE1-CG 4.43Å; Y354-F384 AromaticContact CE2-CD2 3.75Å; Y354-F384 HydrophobicContact CE2-CD2 3.75Å; Y354-F384 HydrophobicContact CE2-CE2 4.12Å; Y354-F384 HydrophobicContact CG-CB 3.95Å; Y354-F384 AromaticContact CG-CD2 3.48Å; Y354-F384 HydrophobicContact CG-CD2 3.48Å; Y354-F384 VanDerWaalsContact CG-CD2 3.48Å; Y354-F384 HydrophobicContact CG-CE2 4.31Å; Y354-F384 HydrophobicContact CG-CG 4.01Å; Y354-F384 AromaticContact CZ-CD2 3.86Å
355	H	93.6	Very high	91.3	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.042	36%	0.36	C	S	.	.			trans	-148.5	169.6	178.2	56.4	96.1	0	0	0	112.4	Q334 E338 N357 M358 K363 T381	Q334-H355 HydrophobicContact CB-CB 4.07Å; Q334-H355 HydrophobicContact CG-CB 3.94Å; Q334-H355 PolarHBondContact OE1-ND1 3.13Å; E338-H355 IonicContact OE1-CE1 2.92Å; E338-H355 IonicContact OE1-NE2 2.64Å; E338-H355 PolarHBondContact OE1-NE2 3.41Å; H355-N357 VanDerWaalsContact C-N 3.33Å; H355-N357 PolarHBondContact O-N 3.41Å; H355-M358 PolarHBondContact N-SD 3.36Å; H355-M358 VanDerWaalsContact N-SD 3.45Å; H355-M358 VanDerWaalsContact NE2-CG 3.32Å; H355-M358 WeakPolarHBondContact NE2-CG 3.44Å; H355-M358 PolarHBondContact O-N 2.97Å; H355-K363 WeakPolarHBondContact O-CE 3.28Å; H355-T381 HydrophobicContact CB-CG2 4.13Å
356	A	87.1	Confident	91.1	Very high	56 Å²	56	66.4 Å²	66.4	46%	0.463	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.8	-172.1	0	0	0	0	0	114.6	M358 K363 A383	A356-M358 VanDerWaalsContact C-N 3.35Å; A356-K363 PolarHBondContact O-NZ 2.92Å; A356-A383 HydrophobicContact CB-CB 4.35Å
357	N	89.8	Confident	90.6	Very high	125 Å²	125	61.9 Å²	61.9	67%	0.668	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.2	-179.3	-66.5	20.7	0	0	0	114.6	Q334 H355	Q334-N357 PolarHBondContact NE2-OD1 3.04Å; Q334-N357 PolarHBondContact OE1-OD1 2.85Å; H355-N357 VanDerWaalsContact C-N 3.33Å; H355-N357 PolarHBondContact O-N 3.41Å
358	M	88.5	Confident	90.2	Very high	30 Å²	30	63.2 Å²	63.2	15%	0.148	34%	0.343	C	S	.	.	S	Bend	trans	-70.9	151.6	173.8	-64.7	175.2	66	0	0	111.4	P353 Y354 H355 A356 D362 K363 V366	P353-M358 WeakPolarHBondContact O-CE 3.07Å; P353-M358 VanDerWaalsContact O-SD 3.34Å; Y354-M358 WeakPolarHBondContact CA-SD 3.34Å; H355-M358 PolarHBondContact N-SD 3.36Å; H355-M358 VanDerWaalsContact N-SD 3.45Å; H355-M358 VanDerWaalsContact NE2-CG 3.32Å; H355-M358 WeakPolarHBondContact NE2-CG 3.44Å; H355-M358 PolarHBondContact O-N 2.97Å; A356-M358 VanDerWaalsContact C-N 3.35Å; M358-D362 HydrophobicContact CE-CB 4.17Å; M358-K363 HydrophobicContact CB-CG 3.89Å; M358-K363 VanDerWaalsContact O-CE 3.26Å; M358-K363 WeakPolarHBondContact O-CE 3.37Å; M358-K363 PolarHBondContact O-NZ 3.36Å; M358-V366 HydrophobicContact CE-CG2 4.3Å
359	D	89.6	Confident	90.1	Very high	106 Å²	106	62.1 Å²	62.1	57%	0.567	33%	0.328	S	S	*	.			trans	-58.9	139.6	174	-69.3	-36.7	0	0	0	110.9	E361 D362 K363	D359-E361 PolarHBondContact O-N 3.42Å; D359-D362 HydrophobicContact CB-CB 4.39Å; D359-D362 PolarHBondContact O-N 2.86Å; D359-D362 VanDerWaalsContact O-N 3.1Å; D359-K363 PolarHBondContact O-N 3.33Å
360	P	82.4	Confident	90.1	Very high	80 Å²	80	62 Å²	62	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-56.4	-36.3	-179.2	-25.7	35.1	0	0	0	113.7	S364	P360-S364 WeakPolarHBondContact O-CB 3.42Å; P360-S364 PolarHBondContact O-N 2.58Å; P360-S364 PolarHBondContact O-OG 3.15Å
361	E	84.8	Confident	89.7	Confident	126 Å²	126	59.5 Å²	59.5	59%	0.589	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-45.3	175.5	-68.5	74	-162.7	0	0	111	D359 S364 Q365	D359-E361 PolarHBondContact O-N 3.42Å; E361-S364 WeakPolarHBondContact O-CB 3.5Å; E361-S364 PolarHBondContact O-N 2.72Å; E361-Q365 WeakPolarHBondContact O-CG 3.42Å; E361-Q365 PolarHBondContact O-N 3.12Å
362	D	88.9	Confident	89.4	Confident	71 Å²	71	62.6 Å²	62.6	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-67.7	-40.9	179.5	-77.6	-12	0	0	0	112	M358 D359 S364 Q365 V366	M358-D362 HydrophobicContact CE-CB 4.17Å; D359-D362 HydrophobicContact CB-CB 4.39Å; D359-D362 PolarHBondContact O-N 2.86Å; D359-D362 VanDerWaalsContact O-N 3.1Å; D362-S364 VanDerWaalsContact C-N 3.3Å; D362-S364 PolarHBondContact O-N 3.29Å; D362-Q365 PolarHBondContact O-N 3.34Å; D362-V366 WeakPolarHBondContact O-CG2 3.24Å; D362-V366 PolarHBondContact O-N 3.35Å
363	K	86.1	Confident	89.1	Confident	41 Å²	41	63.4 Å²	63.4	18%	0.178	35%	0.35	C	S	.	.	H	α-helix	trans	-55.8	-47.8	172	-74	175.1	178.6	135.9	0	111.1	Y354 H355 A356 M358 D359 Q365 V366 H367	Y354-K363 HydrophobicContact CE1-CG 4.45Å; Y354-K363 HydrophobicContact CE2-CB 3.73Å; Y354-K363 HydrophobicContact CE2-CG 3.97Å; H355-K363 WeakPolarHBondContact O-CE 3.28Å; A356-K363 PolarHBondContact O-NZ 2.92Å; M358-K363 HydrophobicContact CB-CG 3.89Å; M358-K363 VanDerWaalsContact O-CE 3.26Å; M358-K363 WeakPolarHBondContact O-CE 3.37Å; M358-K363 PolarHBondContact O-NZ 3.36Å; D359-K363 PolarHBondContact O-N 3.33Å; K363-Q365 VanDerWaalsContact C-N 3.35Å; K363-Q365 PolarHBondContact O-N 3.44Å; K363-V366 PolarHBondContact O-N 3.31Å; K363-H367 WeakPolarHBondContact O-CB 3.46Å; K363-H367 PolarHBondContact O-N 3.37Å
364	S	82.8	Confident	89	Confident	70 Å²	70	69.5 Å²	69.5	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-42.1	179.3	-57.9	0	0	0	0	111.2	P360 E361 D362 H367 C368	P360-S364 WeakPolarHBondContact O-CB 3.42Å; P360-S364 PolarHBondContact O-N 2.58Å; P360-S364 PolarHBondContact O-OG 3.15Å; E361-S364 WeakPolarHBondContact O-CB 3.5Å; E361-S364 PolarHBondContact O-N 2.72Å; D362-S364 VanDerWaalsContact C-N 3.3Å; D362-S364 PolarHBondContact O-N 3.29Å; S364-H367 PolarHBondContact O-N 2.86Å; S364-C368 WeakPolarHBondContact O-CB 3.37Å; S364-C368 PolarHBondContact O-N 2.87Å; S364-C368 PolarHBondContact O-SG 3.17Å
365	Q	88.6	Confident	89	Confident	89 Å²	89	67.8 Å²	67.8	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-46.1	176.4	-74.6	-176	49.6	0	0	112.8	E361 D362 K363 C368 R369	E361-Q365 WeakPolarHBondContact O-CG 3.42Å; E361-Q365 PolarHBondContact O-N 3.12Å; D362-Q365 PolarHBondContact O-N 3.34Å; K363-Q365 VanDerWaalsContact C-N 3.35Å; K363-Q365 PolarHBondContact O-N 3.44Å; Q365-C368 PolarHBondContact O-N 2.63Å; Q365-R369 WeakPolarHBondContact O-CB 3.14Å; Q365-R369 VanDerWaalsContact O-CG 3.26Å; Q365-R369 WeakPolarHBondContact O-CG 3.26Å; Q365-R369 PolarHBondContact O-N 2.74Å
366	V	90.9	Very high	89.1	Confident	12 Å²	12	69.1 Å²	69.1	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-61.2	-46.4	177.4	171	0	0	0	0	110.2	Y354 M358 D362 K363 R369 W370 I375 V378	Y354-V366 HydrophobicContact CD2-CB 4.39Å; Y354-V366 HydrophobicContact CD2-CG1 4.12Å; M358-V366 HydrophobicContact CE-CG2 4.3Å; D362-V366 WeakPolarHBondContact O-CG2 3.24Å; D362-V366 PolarHBondContact O-N 3.35Å; K363-V366 PolarHBondContact O-N 3.31Å; V366-R369 PolarHBondContact O-N 3.3Å; V366-W370 WeakPolarHBondContact O-CB 3.49Å; V366-W370 PolarHBondContact O-N 2.94Å; V366-I375 HydrophobicContact CG1-CD1 4.35Å; V366-V378 HydrophobicContact CG1-CG2 4.09Å
367	H	86.4	Confident	89.6	Confident	51 Å²	51	66.4 Å²	66.4	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-50.7	177.4	-177.3	-128	0	0	0	111.8	K363 S364 R369 W370 S371	K363-H367 WeakPolarHBondContact O-CB 3.46Å; K363-H367 PolarHBondContact O-N 3.37Å; S364-H367 PolarHBondContact O-N 2.86Å; H367-R369 PolarHBondContact O-N 3.48Å; H367-W370 PolarHBondContact O-N 3.47Å; H367-S371 WeakPolarHBondContact O-CB 3.33Å; H367-S371 PolarHBondContact O-N 2.95Å; H367-S371 PolarHBondContact O-OG 3.49Å; H367-S371 VanDerWaalsContact O-OG 3.06Å
368	C	86	Confident	89.9	Confident	81 Å²	81	60.5 Å²	60.5	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-41.9	178.5	-74.4	0	0	0	0	112.9	S364 Q365 S372	S364-C368 WeakPolarHBondContact O-CB 3.37Å; S364-C368 PolarHBondContact O-N 2.87Å; S364-C368 PolarHBondContact O-SG 3.17Å; Q365-C368 PolarHBondContact O-N 2.63Å; C368-S372 WeakPolarHBondContact O-CB 3.36Å; C368-S372 PolarHBondContact O-N 3.18Å; C368-S372 PolarHBondContact O-OG 2.87Å
369	R	92.6	Very high	90.4	Very high	114 Å²	114	59 Å²	59	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-69.9	-37	179.6	-72.8	-178.9	-171.6	-163	7.7	112.3	Q365 V366 H367 S372 N373 K374 I375	Q365-R369 WeakPolarHBondContact O-CB 3.14Å; Q365-R369 VanDerWaalsContact O-CG 3.26Å; Q365-R369 WeakPolarHBondContact O-CG 3.26Å; Q365-R369 PolarHBondContact O-N 2.74Å; V366-R369 PolarHBondContact O-N 3.3Å; H367-R369 PolarHBondContact O-N 3.48Å; R369-S372 WeakPolarHBondContact CA-OG 3.26Å; R369-S372 PolarHBondContact O-OG 3.45Å; R369-N373 PolarHBondContact O-N 3.43Å; R369-K374 HydrophobicContact CB-CB 4.18Å; R369-K374 HydrophobicContact CG-CD 4.46Å; R369-K374 WeakPolarHBondContact O-CA 3.47Å; R369-K374 WeakPolarHBondContact O-CB 3.48Å; R369-K374 PolarHBondContact O-N 2.9Å; R369-I375 HydrophobicContact CB-CD1 3.57Å; R369-I375 HydrophobicContact CB-CG1 3.88Å; R369-I375 PolarHBondContact O-N 3.44Å
370	W	93.7	Very high	90.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.4	-43.5	174.9	178.9	76.4	0	0	0	112.1	G327 I328 V366 H367 S372 N373 I375 V378 F384 I388 K390 V393	G327-W370 PolarHBondContact O-NE1 3.21Å; I328-W370 HydrophobicContact CD1-CH2 4.02Å; I328-W370 HydrophobicContact CD1-CZ2 3.99Å; I328-W370 HydrophobicContact CG1-CH2 4.25Å; I328-W370 HydrophobicContact CG1-CZ2 3.7Å; V366-W370 WeakPolarHBondContact O-CB 3.49Å; V366-W370 PolarHBondContact O-N 2.94Å; H367-W370 PolarHBondContact O-N 3.47Å; W370-S372 PolarHBondContact O-N 3.45Å; W370-N373 PolarHBondContact O-N 3.25Å; W370-I375 HydrophobicContact CB-CB 4.17Å; W370-I375 HydrophobicContact CB-CG2 4.43Å; W370-V378 HydrophobicContact CB-CG2 3.67Å; W370-V378 VanDerWaalsContact CD1-CG2 3.45Å; W370-V378 HydrophobicContact CD2-CG2 4.03Å; W370-V378 HydrophobicContact CG-CG2 3.42Å; W370-V378 VanDerWaalsContact CG-CG2 3.42Å; W370-F384 HydrophobicContact CD2-CZ 4.26Å; W370-F384 AromaticContact CE3-CZ 3.89Å; W370-F384 HydrophobicContact CE3-CZ 3.89Å; W370-F384 HydrophobicContact CH2-CE1 4.37Å; W370-F384 HydrophobicContact CH2-CZ 4.39Å; W370-F384 HydrophobicContact CZ3-CE1 4.4Å; W370-F384 AromaticContact CZ3-CZ 3.97Å; W370-F384 HydrophobicContact CZ3-CZ 3.97Å; W370-I388 HydrophobicContact CH2-CG2 3.86Å; W370-I388 HydrophobicContact CZ3-CG2 3.67Å; W370-K390 HydrophobicContact CD2-CD 4.01Å; W370-K390 HydrophobicContact CE3-CB 4.42Å; W370-K390 HydrophobicContact CE3-CD 3.78Å; W370-K390 HydrophobicContact CH2-CB 3.64Å; W370-K390 HydrophobicContact CH2-CD 3.59Å; W370-K390 HydrophobicContact CH2-CG 4.16Å; W370-K390 HydrophobicContact CZ2-CD 3.79Å; W370-K390 HydrophobicContact CZ3-CB 3.51Å; W370-K390 HydrophobicContact CZ3-CD 3.56Å; W370-K390 HydrophobicContact CZ3-CG 4.16Å; W370-V393 HydrophobicContact CH2-CG2 3.59Å; W370-V393 HydrophobicContact CZ2-CG2 3.69Å
371	S	88.1	Confident	91.2	Very high	52 Å²	52	50.8 Å²	50.8	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-34.7	175.5	-65.9	0	0	0	0	112.4	H367 N373 K390	H367-S371 WeakPolarHBondContact O-CB 3.33Å; H367-S371 PolarHBondContact O-N 2.95Å; H367-S371 PolarHBondContact O-OG 3.49Å; H367-S371 VanDerWaalsContact O-OG 3.06Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-N373 PolarHBondContact O-N 3.04Å; S371-K390 PolarHBondContact O-NZ 3.07Å
372	S	88.9	Confident	91.4	Very high	64 Å²	64	49.3 Å²	49.3	45%	0.448	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	14.8	175.9	58.3	0	0	0	0	115.2	C368 R369 W370 K374	C368-S372 WeakPolarHBondContact O-CB 3.36Å; C368-S372 PolarHBondContact O-N 3.18Å; C368-S372 PolarHBondContact O-OG 2.87Å; R369-S372 WeakPolarHBondContact CA-OG 3.26Å; R369-S372 PolarHBondContact O-OG 3.45Å; W370-S372 PolarHBondContact O-N 3.45Å; S372-K374 PolarHBondContact O-N 3.25Å; S372-K374 VanDerWaalsContact O-N 3.14Å
373	N	92.3	Very high	91.1	Very high	94 Å²	94	48 Å²	48	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	17.2	178.3	-61.9	-30.8	0	0	0	115.4	S326 R369 W370 S371 K390	S326-N373 PolarHBondContact OG-OD1 3.41Å; R369-N373 PolarHBondContact O-N 3.43Å; W370-N373 PolarHBondContact O-N 3.25Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-N373 PolarHBondContact O-N 3.04Å; N373-K390 WeakPolarHBondContact OD1-CE 3.32Å; N373-K390 PolarHBondContact OD1-NZ 3.28Å
374	K	93.1	Very high	91.1	Very high	149 Å²	149	46.2 Å²	46.2	65%	0.648	26%	0.256	S	S	*	.	S	Bend	trans	-79.7	-21.7	172.6	-62.8	-178.9	179.3	179.5	0	112.6	R369 S372	R369-K374 HydrophobicContact CB-CB 4.18Å; R369-K374 HydrophobicContact CG-CD 4.46Å; R369-K374 WeakPolarHBondContact O-CA 3.47Å; R369-K374 WeakPolarHBondContact O-CB 3.48Å; R369-K374 PolarHBondContact O-N 2.9Å; S372-K374 PolarHBondContact O-N 3.25Å; S372-K374 VanDerWaalsContact O-N 3.14Å
375	I	95.1	Very high	90.5	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.234	C	C	.	.			trans	-115.9	131.4	172.2	-67.5	171.9	0	0	0	107.1	L350 Y352 V366 R369 W370 V377 V378	L350-I375 WeakPolarHBondContact O-CG2 3.2Å; Y352-I375 HydrophobicContact CD2-CB 4.44Å; Y352-I375 HydrophobicContact CD2-CD1 3.53Å; Y352-I375 HydrophobicContact CD2-CG1 3.65Å; Y352-I375 HydrophobicContact CD2-CG2 3.97Å; Y352-I375 HydrophobicContact CE2-CD1 4.05Å; Y352-I375 HydrophobicContact CE2-CG1 3.91Å; Y352-I375 HydrophobicContact CG-CD1 3.85Å; Y352-I375 HydrophobicContact CG-CG1 4.46Å; V366-I375 HydrophobicContact CG1-CD1 4.35Å; R369-I375 HydrophobicContact CB-CD1 3.57Å; R369-I375 HydrophobicContact CB-CG1 3.88Å; R369-I375 PolarHBondContact O-N 3.44Å; W370-I375 HydrophobicContact CB-CB 4.17Å; W370-I375 HydrophobicContact CB-CG2 4.43Å; I375-V377 WeakPolarHBondContact CG2-O 3.44Å; I375-V378 HydrophobicContact CG2-CG2 4.31Å
376	Q	95.9	Very high	89.6	Confident	36 Å²	36	41.7 Å²	41.7	17%	0.168	23%	0.229	C	C	.	.	S	Bend	trans	-80	-45.7	178.8	-170	-175.5	8.5	0	0	110.8	Y322 Q325 S326 G327 L350	Y322-Q376 PolarHBondContact O-NE2 2.73Å; Q325-Q376 WeakPolarHBondContact O-CG 3.28Å; Q325-Q376 PolarHBondContact O-NE2 2.91Å; S326-Q376 WeakPolarHBondContact CA-O 3.49Å; G327-Q376 PolarHBondContact N-O 2.87Å; L350-Q376 HydrophobicContact CB-CB 4.25Å; L350-Q376 PolarHBondContact O-N 3.26Å; L350-Q376 VanDerWaalsContact O-N 3.08Å
377	V	97.2	Very high	88.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.6	-171.8	-174.9	0	0	0	0	111.2	I318 G327 V329 I349 L350 A351 Y352 I375 V379 F395	I318-V377 HydrophobicContact CD1-CG2 4.24Å; I318-V377 HydrophobicContact CG2-CG2 4.36Å; G327-V377 WeakPolarHBondContact O-CA 3.47Å; V329-V377 HydrophobicContact CB-CG1 4.39Å; V329-V377 HydrophobicContact CG2-CG1 3.62Å; I349-V377 HydrophobicContact CG2-CB 4.47Å; I349-V377 HydrophobicContact CG2-CG2 3.95Å; L350-V377 PolarHBondContact O-N 3.18Å; A351-V377 CarbonylContact C-O 3.59Å; A351-V377 WeakPolarHBondContact CA-O 3.3Å; A351-V377 HydrophobicContact CB-CB 4.17Å; Y352-V377 PolarHBondContact N-O 2.87Å; I375-V377 WeakPolarHBondContact CG2-O 3.44Å; V377-V379 HydrophobicContact CG1-CG2 4.3Å; V377-F395 HydrophobicContact CG2-CE2 4.3Å; V377-F395 HydrophobicContact CG2-CZ 3.76Å
378	V	97.1	Very high	87.9	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.4	165.7	173.4	0	0	0	0	108.2	G327 I328 V329 V366 W370 I375 A380 F384	G327-V378 PolarHBondContact O-N 3.19Å; I328-V378 WeakPolarHBondContact CA-O 3.4Å; V329-V378 PolarHBondContact N-O 3.37Å; V366-V378 HydrophobicContact CG1-CG2 4.09Å; W370-V378 HydrophobicContact CB-CG2 3.67Å; W370-V378 VanDerWaalsContact CD1-CG2 3.45Å; W370-V378 HydrophobicContact CD2-CG2 4.03Å; W370-V378 HydrophobicContact CG-CG2 3.42Å; W370-V378 VanDerWaalsContact CG-CG2 3.42Å; I375-V378 HydrophobicContact CG2-CG2 4.31Å; V378-A380 HydrophobicContact CG1-CB 4.08Å; V378-F384 HydrophobicContact CB-CD1 4.35Å; V378-F384 HydrophobicContact CB-CE1 3.87Å; V378-F384 HydrophobicContact CB-CZ 4.11Å; V378-F384 HydrophobicContact CG1-CD1 3.71Å; V378-F384 HydrophobicContact CG1-CD2 4.15Å; V378-F384 HydrophobicContact CG1-CE1 3.64Å; V378-F384 HydrophobicContact CG1-CE2 4.1Å; V378-F384 HydrophobicContact CG1-CG 3.97Å; V378-F384 HydrophobicContact CG1-CZ 3.86Å; V378-F384 HydrophobicContact CG2-CE1 4.36Å; V378-F384 HydrophobicContact CG2-CZ 4.12Å
379	V	97.7	Very high	87.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.9	175.3	-175	0	0	0	0	107.6	V329 V331 V340 L344 A351 Y352 P353 Y354 V377	V329-V379 HydrophobicContact CB-CG1 4.38Å; V329-V379 HydrophobicContact CB-CG2 4.25Å; V329-V379 HydrophobicContact CG1-CG1 4.4Å; V329-V379 CarbonylContact O-C 3.56Å; V329-V379 WeakPolarHBondContact O-CA 3.22Å; V331-V379 HydrophobicContact CG1-CG1 3.79Å; V331-V379 HydrophobicContact CG2-CG1 4.39Å; V340-V379 HydrophobicContact CB-CG1 3.89Å; V340-V379 HydrophobicContact CG1-CG1 3.81Å; V340-V379 HydrophobicContact CG1-CG2 4.33Å; L344-V379 HydrophobicContact CD1-CG2 3.85Å; A351-V379 HydrophobicContact CB-CG2 4.17Å; Y352-V379 PolarHBondContact O-N 2.92Å; P353-V379 CarbonylContact C-O 3.52Å; P353-V379 VanDerWaalsContact CA-O 3.22Å; P353-V379 WeakPolarHBondContact CA-O 3.44Å; Y354-V379 PolarHBondContact N-O 3.3Å; V377-V379 HydrophobicContact CG1-CG2 4.3Å
380	A	95.3	Very high	87.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.7	-165.8	0	0	0	0	0	115.6	V329 Y330 V331 Y354 V378 F384	V329-A380 PolarHBondContact O-N 2.82Å; Y330-A380 CarbonylContact C-O 3.49Å; Y330-A380 VanDerWaalsContact CA-O 3.31Å; Y330-A380 WeakPolarHBondContact CA-O 3.34Å; Y330-A380 WeakPolarHBondContact CD1-O 3.31Å; V331-A380 WeakPolarHBondContact CG2-O 3.18Å; V331-A380 PolarHBondContact N-O 3.31Å; Y354-A380 VanDerWaalsContact O-CA 3.23Å; Y354-A380 WeakPolarHBondContact O-CA 3.45Å; Y354-A380 WeakPolarHBondContact O-CB 3.39Å; V378-A380 HydrophobicContact CG1-CB 4.08Å; A380-F384 HydrophobicContact CB-CB 3.2Å; A380-F384 HydrophobicContact CB-CD1 4.03Å; A380-F384 HydrophobicContact CB-CG 3.86Å
381	T	93.9	Very high	87.1	Confident	13 Å²	13	39.9 Å²	39.9	8%	0.08	23%	0.231	C	C	.	.			trans	-80.6	178.4	160.7	68.5	0	0	0	0	110.1	V331 Q334 Y354 H355 A383 F384	V331-T381 HydrophobicContact CG2-CG2 4.3Å; Q334-T381 HydrophobicContact CG-CG2 4.44Å; Y354-T381 PolarHBondContact O-N 3.36Å; H355-T381 HydrophobicContact CB-CG2 4.13Å; T381-A383 PolarHBondContact O-N 3.05Å; T381-A383 WeakPolarHBondContact OG1-CB 3.38Å; T381-A383 PolarHBondContact OG1-N 3.44Å; T381-F384 PolarHBondContact O-N 3.24Å
382	V	88.4	Confident	87.4	Confident	95 Å²	95	39.6 Å²	39.6	58%	0.576	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.3	174.1	-59.6	0	0	0	0	114.2	F384 E411	V382-F384 PolarHBondContact O-N 3.01Å; V382-E411 WeakPolarHBondContact CG1-OE1 3.37Å
383	A	84.1	Confident	87.7	Confident	44 Å²	44	36.6 Å²	36.6	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.4	172.4	0	0	0	0	0	113	A356 T381 G385	A356-A383 HydrophobicContact CB-CB 4.35Å; T381-A383 PolarHBondContact O-N 3.05Å; T381-A383 WeakPolarHBondContact OG1-CB 3.38Å; T381-A383 PolarHBondContact OG1-N 3.44Å; A383-G385 VanDerWaalsContact C-N 3.32Å; A383-G385 PolarHBondContact O-N 3.38Å
384	F	84.7	Confident	88	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	19%	0.186	C	C	.	.	S	Bend	trans	-87.3	77.5	171.7	-166.7	-113.8	0	0	0	109.2	I328 Y330 Y354 W370 V378 A380 T381 V382 I388	I328-F384 HydrophobicContact CD1-CD1 4.28Å; I328-F384 HydrophobicContact CD1-CE1 3.88Å; I328-F384 HydrophobicContact CG1-CE1 4.11Å; I328-F384 HydrophobicContact CG2-CD1 4.16Å; I328-F384 HydrophobicContact CG2-CE1 4.46Å; Y330-F384 WeakPolarHBondContact CE1-O 3.46Å; Y330-F384 PolarHBondContact OH-O 3.1Å; Y354-F384 HydrophobicContact CD1-CB 3.5Å; Y354-F384 VanDerWaalsContact CD1-CB 3.5Å; Y354-F384 AromaticContact CD1-CD2 3.62Å; Y354-F384 HydrophobicContact CD1-CD2 3.62Å; Y354-F384 AromaticContact CD1-CG 3.99Å; Y354-F384 HydrophobicContact CD1-CG 3.99Å; Y354-F384 AromaticContact CD2-CD2 3.56Å; Y354-F384 HydrophobicContact CD2-CD2 3.56Å; Y354-F384 AromaticContact CD2-CE2 3.99Å; Y354-F384 HydrophobicContact CD2-CE2 3.99Å; Y354-F384 HydrophobicContact CE1-CB 4.02Å; Y354-F384 AromaticContact CE1-CD2 3.8Å; Y354-F384 HydrophobicContact CE1-CD2 3.8Å; Y354-F384 HydrophobicContact CE1-CG 4.43Å; Y354-F384 AromaticContact CE2-CD2 3.75Å; Y354-F384 HydrophobicContact CE2-CD2 3.75Å; Y354-F384 HydrophobicContact CE2-CE2 4.12Å; Y354-F384 HydrophobicContact CG-CB 3.95Å; Y354-F384 AromaticContact CG-CD2 3.48Å; Y354-F384 HydrophobicContact CG-CD2 3.48Å; Y354-F384 VanDerWaalsContact CG-CD2 3.48Å; Y354-F384 HydrophobicContact CG-CE2 4.31Å; Y354-F384 HydrophobicContact CG-CG 4.01Å; Y354-F384 AromaticContact CZ-CD2 3.86Å; W370-F384 HydrophobicContact CD2-CZ 4.26Å; W370-F384 AromaticContact CE3-CZ 3.89Å; W370-F384 HydrophobicContact CE3-CZ 3.89Å; W370-F384 HydrophobicContact CH2-CE1 4.37Å; W370-F384 HydrophobicContact CH2-CZ 4.39Å; W370-F384 HydrophobicContact CZ3-CE1 4.4Å; W370-F384 AromaticContact CZ3-CZ 3.97Å; W370-F384 HydrophobicContact CZ3-CZ 3.97Å; V378-F384 HydrophobicContact CB-CD1 4.35Å; V378-F384 HydrophobicContact CB-CE1 3.87Å; V378-F384 HydrophobicContact CB-CZ 4.11Å; V378-F384 HydrophobicContact CG1-CD1 3.71Å; V378-F384 HydrophobicContact CG1-CD2 4.15Å; V378-F384 HydrophobicContact CG1-CE1 3.64Å; V378-F384 HydrophobicContact CG1-CE2 4.1Å; V378-F384 HydrophobicContact CG1-CG 3.97Å; V378-F384 HydrophobicContact CG1-CZ 3.86Å; V378-F384 HydrophobicContact CG2-CE1 4.36Å; V378-F384 HydrophobicContact CG2-CZ 4.12Å; A380-F384 HydrophobicContact CB-CB 3.2Å; A380-F384 HydrophobicContact CB-CD1 4.03Å; A380-F384 HydrophobicContact CB-CG 3.86Å; T381-F384 PolarHBondContact O-N 3.24Å; V382-F384 PolarHBondContact O-N 3.01Å; F384-I388 VanDerWaalsContact C-CD1 3.41Å; F384-I388 HydrophobicContact CB-CD1 4.3Å; F384-I388 HydrophobicContact CD1-CD1 3.36Å; F384-I388 HydrophobicContact CD2-CD1 3.63Å; F384-I388 HydrophobicContact CD2-CG1 4.43Å; F384-I388 HydrophobicContact CE1-CD1 3.4Å; F384-I388 HydrophobicContact CE1-CG1 4.4Å; F384-I388 HydrophobicContact CE2-CD1 3.66Å; F384-I388 HydrophobicContact CE2-CG1 4.14Å; F384-I388 HydrophobicContact CG-CD1 3.49Å; F384-I388 VanDerWaalsContact CG-CD1 3.49Å; F384-I388 HydrophobicContact CZ-CD1 3.54Å; F384-I388 HydrophobicContact CZ-CG1 4.12Å; F384-I388 WeakPolarHBondContact O-CD1 3.24Å
385	G	71.6	Confident	88.2	Confident	4 Å²	4	26.6 Å²	26.6	4%	0.041	16%	0.156	C	C	.	.			trans	-145.2	-88.8	-173.8	0	0	0	0	0	112.5	A383 G387 I388 R414	A383-G385 VanDerWaalsContact C-N 3.32Å; A383-G385 PolarHBondContact O-N 3.38Å; G385-G387 PolarHBondContact O-N 2.87Å; G385-I388 WeakPolarHBondContact O-CG1 3.44Å; G385-I388 PolarHBondContact O-N 3.16Å; G385-R414 PolarHBondContact O-NH1 3.2Å; G385-R414 PolarHBondContact O-NH2 3.03Å; G385-R414 VanDerWaalsContact O-NH2 3.14Å
386	M	68.3	Low	88.3	Confident	61 Å²	61	26.4 Å²	26.4	30%	0.3	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	130.6	-175.2	-68.4	-178.3	-96.2	0	0	111.5	L150	L150-M386 HydrophobicContact CD1-CB 3.56Å; L150-M386 HydrophobicContact CD1-CE 3.29Å; L150-M386 HydrophobicContact CD1-CG 4.01Å; L150-M386 HydrophobicContact CD1-SD 3.31Å; L150-M386 WeakPolarHBondContact CD1-SD 3.49Å; L150-M386 HydrophobicContact CD2-CE 4.31Å; L150-M386 HydrophobicContact CG-CE 3.84Å; L150-M386 HydrophobicContact CG-SD 3.62Å
387	G	65.4	Low	88.5	Confident	20 Å²	20	24.7 Å²	24.7	21%	0.206	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-22.5	-177.9	0	0	0	0	0	115.7	D156 G385 D389	D156-G387 WeakPolarHBondContact OD2-CA 3.41Å; G385-G387 PolarHBondContact O-N 2.87Å; G387-D389 PolarHBondContact O-N 3.31Å
388	I	77.8	Confident	88.5	Confident	8 Å²	8	24.7 Å²	24.7	4%	0.041	15%	0.147	C	C	.	.			trans	-70.1	120.6	-178.2	-59.5	161.9	0	0	0	110.9	W370 F384 G385 R417	W370-I388 HydrophobicContact CH2-CG2 3.86Å; W370-I388 HydrophobicContact CZ3-CG2 3.67Å; F384-I388 VanDerWaalsContact C-CD1 3.41Å; F384-I388 HydrophobicContact CB-CD1 4.3Å; F384-I388 HydrophobicContact CD1-CD1 3.36Å; F384-I388 HydrophobicContact CD2-CD1 3.63Å; F384-I388 HydrophobicContact CD2-CG1 4.43Å; F384-I388 HydrophobicContact CE1-CD1 3.4Å; F384-I388 HydrophobicContact CE1-CG1 4.4Å; F384-I388 HydrophobicContact CE2-CD1 3.66Å; F384-I388 HydrophobicContact CE2-CG1 4.14Å; F384-I388 HydrophobicContact CG-CD1 3.49Å; F384-I388 VanDerWaalsContact CG-CD1 3.49Å; F384-I388 HydrophobicContact CZ-CD1 3.54Å; F384-I388 HydrophobicContact CZ-CG1 4.12Å; F384-I388 WeakPolarHBondContact O-CD1 3.24Å; G385-I388 WeakPolarHBondContact O-CG1 3.44Å; G385-I388 PolarHBondContact O-N 3.16Å; I388-R417 PolarHBondContact O-NH1 2.83Å; I388-R417 PolarHBondContact O-NH2 3.25Å
389	D	78.4	Confident	88.5	Confident	111 Å²	111	25.4 Å²	25.4	59%	0.594	15%	0.15	S	C	*	.			trans	-133.6	41.7	177.4	-160.4	25.3	0	0	0	113.9	G387 P391 R417	G387-D389 PolarHBondContact O-N 3.31Å; D389-P391 WeakPolarHBondContact O-CD 3.35Å; D389-R417 VanDerWaalsContact CA-NH1 3.34Å; D389-R417 WeakPolarHBondContact OD1-CD 3.43Å; D389-R417 IonicContact OD1-CZ 3.99Å; D389-R417 IonicContact OD1-NE 2.78Å; D389-R417 IonicContact OD1-NH1 3.24Å; D389-R417 PolarHBondContact OD1-NH1 3.02Å
390	K	87.6	Confident	88.3	Confident	13 Å²	13	25.6 Å²	25.6	6%	0.057	15%	0.151	C	C	.	.			trans	-72.8	122.3	170.2	-177.4	171.4	176.5	55.6	0	109.7	S326 W370 S371 N373 D392 V393	S326-K390 VanDerWaalsContact OG-CE 3.27Å; S326-K390 WeakPolarHBondContact OG-CE 3.26Å; W370-K390 HydrophobicContact CD2-CD 4.01Å; W370-K390 HydrophobicContact CE3-CB 4.42Å; W370-K390 HydrophobicContact CE3-CD 3.78Å; W370-K390 HydrophobicContact CH2-CB 3.64Å; W370-K390 HydrophobicContact CH2-CD 3.59Å; W370-K390 HydrophobicContact CH2-CG 4.16Å; W370-K390 HydrophobicContact CZ2-CD 3.79Å; W370-K390 HydrophobicContact CZ3-CB 3.51Å; W370-K390 HydrophobicContact CZ3-CD 3.56Å; W370-K390 HydrophobicContact CZ3-CG 4.16Å; S371-K390 PolarHBondContact O-NZ 3.07Å; N373-K390 WeakPolarHBondContact OD1-CE 3.32Å; N373-K390 PolarHBondContact OD1-NZ 3.28Å; K390-D392 WeakPolarHBondContact CE-OD1 3.45Å; K390-D392 WeakPolarHBondContact CG-OD1 3.22Å; K390-D392 IonicContact NZ-OD1 3.44Å; K390-D392 PolarHBondContact NZ-OD1 3.2Å; K390-D392 IonicContact NZ-OD2 2.86Å; K390-D392 PolarHBondContact NZ-OD2 3.2Å; K390-V393 HydrophobicContact CB-CG2 4Å; K390-V393 HydrophobicContact CD-CG2 4.21Å; K390-V393 HydrophobicContact CG-CG2 4.04Å
391	P	88.3	Confident	88.4	Confident	68 Å²	68	25.9 Å²	25.9	44%	0.442	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-35	-174.9	26.4	-33.7	0	0	0	113.2	D389 V393 R417 D418	D389-P391 WeakPolarHBondContact O-CD 3.35Å; P391-V393 PolarHBondContact O-N 3.39Å; P391-R417 PolarHBondContact O-N 3.45Å; P391-R417 VanDerWaalsContact O-N 3.08Å; P391-D418 HydrophobicContact CB-CB 4.24Å; P391-D418 VanDerWaalsContact O-CG 3.3Å; P391-D418 PolarHBondContact O-N 3.17Å; P391-D418 VanDerWaalsContact O-N 3.09Å
392	D	93.6	Very high	88.4	Confident	46 Å²	46	25.6 Å²	25.6	25%	0.246	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	32.7	-163.6	59.5	-35.5	0	0	0	114.6	K390 R394	K390-D392 WeakPolarHBondContact CE-OD1 3.45Å; K390-D392 WeakPolarHBondContact CG-OD1 3.22Å; K390-D392 IonicContact NZ-OD1 3.44Å; K390-D392 PolarHBondContact NZ-OD1 3.2Å; K390-D392 IonicContact NZ-OD2 2.86Å; K390-D392 PolarHBondContact NZ-OD2 3.2Å; D392-R394 VanDerWaalsContact C-NH1 3.29Å; D392-R394 PolarHBondContact O-N 3.49Å; D392-R394 PolarHBondContact O-NH1 3.33Å
393	V	96.3	Very high	88.7	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	114.2	174.7	-177.9	0	0	0	0	109.7	I328 W370 K390 P391 V396 A415 G416	I328-V393 HydrophobicContact CD1-CG1 4.44Å; I328-V393 HydrophobicContact CG1-CG1 4.33Å; W370-V393 HydrophobicContact CH2-CG2 3.59Å; W370-V393 HydrophobicContact CZ2-CG2 3.69Å; K390-V393 HydrophobicContact CB-CG2 4Å; K390-V393 HydrophobicContact CD-CG2 4.21Å; K390-V393 HydrophobicContact CG-CG2 4.04Å; P391-V393 PolarHBondContact O-N 3.39Å; V393-V396 HydrophobicContact CG1-CG2 4.08Å; V393-A415 WeakPolarHBondContact O-CA 3.49Å; V393-G416 PolarHBondContact O-N 3.47Å
394	R	97.6	Very high	89.1	Confident	33 Å²	33	21.1 Å²	21.1	13%	0.125	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-25.8	-173.3	-64.4	-71	77.3	83.1	4.6	114.5	Q325 S326 D392 D418 P421 A422 D423	Q325-R394 HydrophobicContact CB-CB 3.84Å; Q325-R394 HydrophobicContact CB-CG 3.73Å; Q325-R394 HydrophobicContact CG-CB 4.33Å; Q325-R394 HydrophobicContact CG-CG 3.87Å; S326-R394 PolarHBondContact O-N 3.17Å; D392-R394 VanDerWaalsContact C-NH1 3.29Å; D392-R394 PolarHBondContact O-N 3.49Å; D392-R394 PolarHBondContact O-NH1 3.33Å; R394-D418 IonicContact CZ-OD1 3.27Å; R394-D418 IonicContact CZ-OD2 2.72Å; R394-D418 VanDerWaalsContact CZ-OD2 3.24Å; R394-D418 IonicContact NH1-OD1 3.7Å; R394-D418 IonicContact NH1-OD2 3.69Å; R394-D418 PolarHBondContact NH1-OD2 3.01Å; R394-D418 IonicContact NH2-OD1 2.82Å; R394-D418 PolarHBondContact NH2-OD1 3.22Å; R394-D418 IonicContact NH2-OD2 3.67Å; R394-D418 PolarHBondContact NH2-OD2 3.33Å; R394-P421 PolarHBondContact NE-O 3.49Å; R394-A422 CarbonylContact O-C 3.51Å; R394-A422 VanDerWaalsContact O-CA 3.22Å; R394-A422 WeakPolarHBondContact O-CA 3.4Å; R394-A422 WeakPolarHBondContact O-CB 3.2Å; R394-D423 PolarHBondContact O-N 3.13Å
395	F	98.1	Very high	89.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.3	176	64	-85.8	0	0	0	112.1	I318 Y322 G327 I328 V377 I397 D423	I318-F395 HydrophobicContact CD1-CE2 4.33Å; I318-F395 HydrophobicContact CD1-CZ 4.43Å; I318-F395 HydrophobicContact CG1-CE2 3.97Å; I318-F395 HydrophobicContact CG1-CZ 3.86Å; I318-F395 HydrophobicContact CG2-CZ 4.46Å; Y322-F395 VanDerWaalsContact CB-CD1 3.47Å; Y322-F395 VanDerWaalsContact CB-CE1 3.46Å; Y322-F395 HydrophobicContact CD1-CB 4.18Å; Y322-F395 AromaticContact CD1-CD1 3.88Å; Y322-F395 HydrophobicContact CD1-CD1 3.88Å; Y322-F395 HydrophobicContact CD1-CG 4.34Å; Y322-F395 HydrophobicContact CD2-CB 4Å; Y322-F395 AromaticContact CD2-CD1 3.62Å; Y322-F395 HydrophobicContact CD2-CD1 3.62Å; Y322-F395 HydrophobicContact CD2-CD2 4.28Å; Y322-F395 HydrophobicContact CD2-CE1 4.09Å; Y322-F395 AromaticContact CD2-CG 3.71Å; Y322-F395 HydrophobicContact CD2-CG 3.71Å; Y322-F395 HydrophobicContact CE1-CB 4.02Å; Y322-F395 HydrophobicContact CE2-CB 3.82Å; Y322-F395 HydrophobicContact CE2-CD1 4.32Å; Y322-F395 HydrophobicContact CE2-CG 4Å; Y322-F395 HydrophobicContact CG-CB 4.19Å; Y322-F395 AromaticContact CG-CD1 3.37Å; Y322-F395 HydrophobicContact CG-CD1 3.37Å; Y322-F395 AromaticContact CG-CE1 3.87Å; Y322-F395 HydrophobicContact CG-CE1 3.87Å; Y322-F395 AromaticContact CG-CG 3.9Å; Y322-F395 HydrophobicContact CG-CG 3.9Å; G327-F395 CarbonylContact C-O 3.13Å; G327-F395 WeakPolarHBondContact CA-O 3.26Å; I328-F395 PolarHBondContact N-O 3.26Å; V377-F395 HydrophobicContact CG2-CE2 4.3Å; V377-F395 HydrophobicContact CG2-CZ 3.76Å; F395-I397 HydrophobicContact CD2-CD1 3.7Å; F395-I397 HydrophobicContact CD2-CG1 3.96Å; F395-I397 HydrophobicContact CE2-CD1 4.03Å; F395-D423 CarbonylContact C-O 3.51Å; F395-D423 VanDerWaalsContact CA-O 3.25Å; F395-D423 WeakPolarHBondContact CA-O 3.47Å
396	V	98	Very high	90.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.5	166.5	175.8	0	0	0	0	107.1	I328 Y330 V393 A415 D423 C424 I425	I328-V396 HydrophobicContact CB-CG2 4.39Å; I328-V396 WeakPolarHBondContact O-CA 3.48Å; Y330-V396 HydrophobicContact CD2-CG1 3.79Å; Y330-V396 HydrophobicContact CE2-CG1 3.99Å; V393-V396 HydrophobicContact CG1-CG2 4.08Å; V396-A415 HydrophobicContact CG2-CB 3.83Å; V396-D423 PolarHBondContact N-O 3.06Å; V396-C424 WeakPolarHBondContact O-CA 3.32Å; V396-I425 PolarHBondContact O-N 3.21Å
397	I	98.3	Very high	91.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.9	179.9	-67.6	167.4	0	0	0	108.4	I314 I328 V329 Y330 F395 I425 Y427	I314-I397 HydrophobicContact CG2-CD1 4.41Å; I328-I397 PolarHBondContact O-N 2.9Å; V329-I397 CarbonylContact C-O 3.58Å; V329-I397 VanDerWaalsContact CA-O 3.24Å; V329-I397 WeakPolarHBondContact CA-O 3.43Å; V329-I397 HydrophobicContact CG2-CB 4.28Å; Y330-I397 PolarHBondContact N-O 3.29Å; F395-I397 HydrophobicContact CD2-CD1 3.7Å; F395-I397 HydrophobicContact CD2-CG1 3.96Å; F395-I397 HydrophobicContact CE2-CD1 4.03Å; I397-I425 CarbonylContact C-O 3.6Å; I397-I425 WeakPolarHBondContact CA-O 3.43Å; I397-I425 HydrophobicContact CG1-CB 4.39Å; I397-Y427 HydrophobicContact CG2-CD2 3.89Å; I397-Y427 HydrophobicContact CG2-CE2 3.65Å
398	H	98.1	Very high	92.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	99.3	170.3	-74.5	76.2	0	0	0	108.5	Y330 T400 S402 Y408 E411 I425 I426 Y427	Y330-H398 AromaticContact CD2-CE1 3.89Å; Y330-H398 AromaticContact CD2-NE2 3.78Å; H398-T400 PolarHBondContact O-N 3.02Å; H398-S402 PolarHBondContact CD2-OG 3.17Å; H398-S402 VanDerWaalsContact CD2-OG 3.31Å; H398-S402 PolarHBondContact NE2-OG 3.16Å; H398-Y408 AromaticContact CE1-CD2 3.55Å; H398-Y408 AromaticContact CE1-CE2 3.62Å; H398-Y408 AromaticContact ND1-CD2 3.87Å; H398-Y408 AromaticContact ND1-CE2 3.6Å; H398-Y408 AromaticContact NE2-CD2 3.72Å; H398-E411 IonicContact CD2-OE2 3.61Å; H398-E411 PolarHBondContact CD2-OE2 3.48Å; H398-E411 IonicContact CE1-OE2 3.71Å; H398-E411 IonicContact NE2-OE2 2.87Å; H398-E411 PolarHBondContact NE2-OE2 3.29Å; H398-I425 PolarHBondContact N-O 3.38Å; H398-I426 HydrophobicContact CB-CB 4.31Å; H398-I426 HydrophobicContact CB-CG1 3.94Å; H398-I426 HydrophobicContact CB-CG2 4.36Å; H398-Y427 PolarHBondContact O-N 3.22Å
399	H	96.7	Very high	93.5	Very high	14 Å²	14	18.4 Å²	18.4	7%	0.065	10%	0.097	C	C	.	.	S	Bend	trans	-61.1	-29.5	172.3	170.1	-87.1	0	0	0	111.7	K303 V329 Y330 V331	K303-H399 PolarHBondContact NZ-CE1 3.37Å; K303-H399 PolarHBondContact NZ-O 3.42Å; V329-H399 HydrophobicContact CG1-CB 4.12Å; Y330-H399 WeakPolarHBondContact O-CB 3.36Å; Y330-H399 PolarHBondContact O-N 3.46Å; V331-H399 HydrophobicContact CG1-CB 3.93Å
400	T	94.8	Very high	94	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.031	8%	0.075	C	C	.	.	S	Bend	trans	-134.3	139.9	170.3	-64.9	0	0	0	0	107.7	K303 F332 H398 D432 I436	K303-T400 PolarHBondContact NZ-OG1 3.49Å; F332-T400 HydrophobicContact CB-CG2 3.87Å; H398-T400 PolarHBondContact O-N 3.02Å; T400-D432 HydrophobicContact CG2-CB 3.72Å; T400-D432 VanDerWaalsContact CG2-CG 3.48Å; T400-D432 PolarHBondContact OG1-OD2 3.37Å; T400-I436 HydrophobicContact CG2-CD1 3.99Å
401	M	95.5	Very high	94.3	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.025	7%	0.074	C	C	.	.			trans	-58	151.6	177.1	69	-178.6	-174.6	0	0	111.9	I426 F428 I433 I436 L450 M453 V454	M401-I426 HydrophobicContact CB-CG2 4.06Å; M401-F428 HydrophobicContact SD-CD2 3.83Å; M401-F428 HydrophobicContact SD-CE2 3.86Å; M401-I433 HydrophobicContact CE-CB 4.16Å; M401-I433 HydrophobicContact CE-CG1 3.77Å; M401-I436 HydrophobicContact CE-CD1 3.71Å; M401-I436 HydrophobicContact CG-CD1 3.69Å; M401-I436 WeakPolarHBondContact O-CD1 3.37Å; M401-L450 HydrophobicContact CE-CD1 3.61Å; M401-M453 HydrophobicContact CB-CE 4.45Å; M401-V454 HydrophobicContact CE-CG2 3.7Å; M401-V454 HydrophobicContact SD-CG2 4.13Å
402	S	95.4	Very high	94.6	Very high	8 Å²	8	11 Å²	11	6%	0.056	5%	0.053	C	C	.	.			trans	-70.5	165.2	177.3	-43.5	0	0	0	0	111.6	H398 S404 Y408 E411 M453	H398-S402 PolarHBondContact CD2-OG 3.17Å; H398-S402 VanDerWaalsContact CD2-OG 3.31Å; H398-S402 PolarHBondContact NE2-OG 3.16Å; S402-S404 VanDerWaalsContact C-N 3.25Å; S402-S404 PolarHBondContact O-N 3.19Å; S402-Y408 WeakPolarHBondContact OG-CA 3.43Å; S402-E411 WeakPolarHBondContact CB-OE2 3.39Å; S402-E411 PolarHBondContact OG-OE2 2.86Å; S402-M453 WeakPolarHBondContact O-CG 3.46Å
403	K	93.3	Very high	94.5	Very high	43 Å²	43	9 Å²	9	19%	0.187	4%	0.043	C	C	.	.	S	Bend	trans	-70.8	-18.6	177.5	69.4	174.3	-170.3	165.7	0	114.6	H239 N407 I436 V440 E443 K449 L450	H239-K403 PolarHBondContact O-NZ 2.76Å; K403-N407 WeakPolarHBondContact CE-ND2 3.4Å; K403-N407 HydrophobicContact CG-CB 4.46Å; K403-I436 HydrophobicContact CB-CG2 3.89Å; K403-V440 HydrophobicContact CB-CG1 4.24Å; K403-V440 HydrophobicContact CD-CG1 4.35Å; K403-E443 IonicContact NZ-OE1 3.86Å; K403-E443 PolarHBondContact NZ-OE1 2.75Å; K403-E443 IonicContact NZ-OE2 3.72Å; K403-E443 PolarHBondContact NZ-OE2 3.46Å; K403-K449 CarbonylContact O-C 3.57Å; K403-L450 WeakPolarHBondContact O-CA 3.5Å; K403-L450 PolarHBondContact O-N 2.94Å
404	S	92.9	Very high	94.2	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	4%	0.044	C	C	.	.	S	Bend	trans	-157.2	165.9	-179.6	82.6	0	0	0	0	111.5	S402 E406 N407 Y408	S402-S404 VanDerWaalsContact C-N 3.25Å; S402-S404 PolarHBondContact O-N 3.19Å; S404-E406 VanDerWaalsContact C-N 3.32Å; S404-E406 WeakPolarHBondContact CB-OE2 3.36Å; S404-E406 PolarHBondContact OG-N 3.02Å; S404-E406 PolarHBondContact OG-OE2 2.73Å; S404-N407 PolarHBondContact O-N 3.36Å; S404-N407 PolarHBondContact OG-N 3.27Å; S404-Y408 PolarHBondContact O-N 3.09Å
405	V	92.8	Very high	94.1	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.03	4%	0.038	C	C	.	.	H	α-helix	trans	-66.1	-34.3	176.5	179.1	0	0	0	0	111.4	Y408 Y409 Q452 M453 M468 H471	V405-Y408 PolarHBondContact O-N 3.49Å; V405-Y409 VanDerWaalsContact O-CB 3.28Å; V405-Y409 WeakPolarHBondContact O-CB 3.37Å; V405-Y409 PolarHBondContact O-N 3.27Å; V405-Q452 HydrophobicContact CG2-CB 4.34Å; V405-M453 HydrophobicContact CG2-CB 4.49Å; V405-M453 HydrophobicContact CG2-SD 4.07Å; V405-M468 HydrophobicContact CG1-CG 4.49Å; V405-H471 HydrophobicContact CG1-CB 4.24Å
406	E	89.4	Confident	93.8	Very high	13 Å²	13	7.8 Å²	7.8	6%	0.061	4%	0.038	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176.6	-55.4	86.7	168.1	0	0	111.8	H239 T266 S404 Y409 Q410 H471 F472	H239-E406 HydrophobicContact CB-CB 4.19Å; T266-E406 HydrophobicContact CG2-CB 4.35Å; S404-E406 VanDerWaalsContact C-N 3.32Å; S404-E406 WeakPolarHBondContact CB-OE2 3.36Å; S404-E406 PolarHBondContact OG-N 3.02Å; S404-E406 PolarHBondContact OG-OE2 2.73Å; E406-Y409 PolarHBondContact O-N 3.02Å; E406-Q410 WeakPolarHBondContact O-CB 3.36Å; E406-Q410 PolarHBondContact O-N 2.99Å; E406-H471 IonicContact OE1-CD2 3.21Å; E406-H471 IonicContact OE1-CE1 2.98Å; E406-H471 PolarHBondContact OE1-CE1 2.98Å; E406-H471 IonicContact OE1-NE2 3.18Å; E406-H471 PolarHBondContact OE1-NE2 3.28Å; E406-H471 IonicContact OE2-NE2 2.74Å; E406-F472 HydrophobicContact CG-CE1 4.13Å; E406-F472 HydrophobicContact CG-CZ 4.36Å
407	N	90.9	Very high	93.4	Very high	15 Å²	15	9.3 Å²	9.3	8%	0.08	4%	0.044	C	C	.	.	H	α-helix	trans	-59.7	-49.1	175.3	-84.2	40.2	0	0	0	110.5	H239 K403 S404 Y409 Q410 E411	H239-N407 PolarHBondContact CD2-OD1 3.49Å; H239-N407 VanDerWaalsContact CD2-OD1 3.31Å; K403-N407 WeakPolarHBondContact CE-ND2 3.4Å; K403-N407 HydrophobicContact CG-CB 4.46Å; S404-N407 PolarHBondContact O-N 3.36Å; S404-N407 PolarHBondContact OG-N 3.27Å; N407-Y409 VanDerWaalsContact C-N 3.31Å; N407-Y409 PolarHBondContact O-N 2.96Å; N407-Q410 PolarHBondContact O-N 3.26Å; N407-E411 VanDerWaalsContact O-CB 3.26Å; N407-E411 WeakPolarHBondContact O-CB 2.84Å; N407-E411 WeakPolarHBondContact O-CG 3.38Å; N407-E411 PolarHBondContact O-N 3.43Å
408	Y	94.5	Very high	93	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.5	-43.6	177.9	175.9	-119.3	0	0	0	112.1	Y298 H398 S402 S404 V405 E411 S412 I426 M453 Y456 M468	Y298-Y408 HydrophobicContact CD1-CE1 4.31Å; Y298-Y408 HydrophobicContact CE1-CE1 4.47Å; H398-Y408 AromaticContact CE1-CD2 3.55Å; H398-Y408 AromaticContact CE1-CE2 3.62Å; H398-Y408 AromaticContact ND1-CD2 3.87Å; H398-Y408 AromaticContact ND1-CE2 3.6Å; H398-Y408 AromaticContact NE2-CD2 3.72Å; S402-Y408 WeakPolarHBondContact OG-CA 3.43Å; S404-Y408 PolarHBondContact O-N 3.09Å; V405-Y408 PolarHBondContact O-N 3.49Å; Y408-E411 PolarHBondContact O-N 3.12Å; Y408-S412 WeakPolarHBondContact O-CB 3.37Å; Y408-S412 PolarHBondContact O-N 3.21Å; Y408-S412 PolarHBondContact O-OG 3.36Å; Y408-I426 HydrophobicContact CD1-CD1 4.17Å; Y408-I426 HydrophobicContact CD2-CD1 3.8Å; Y408-I426 HydrophobicContact CD2-CG1 4.03Å; Y408-I426 HydrophobicContact CE1-CD1 3.69Å; Y408-I426 HydrophobicContact CE2-CD1 3.32Å; Y408-I426 HydrophobicContact CE2-CG1 3.38Å; Y408-I426 HydrophobicContact CG-CD1 4.22Å; Y408-M453 HydrophobicContact CD1-CE 3.93Å; Y408-M453 HydrophobicContact CD1-SD 4.47Å; Y408-M453 HydrophobicContact CD2-CE 4.17Å; Y408-M453 HydrophobicContact CG-CE 3.68Å; Y408-M453 HydrophobicContact CG-SD 4.31Å; Y408-Y456 HydrophobicContact CD1-CE1 4.29Å; Y408-Y456 AromaticContact CE1-CE1 3.84Å; Y408-Y456 HydrophobicContact CE1-CE1 3.84Å; Y408-Y456 AromaticContact CE1-CZ 3.85Å; Y408-M468 HydrophobicContact CD1-CE 3.71Å; Y408-M468 HydrophobicContact CE1-CE 3.36Å
409	Y	92.3	Very high	92.6	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.02	8%	0.078	C	C	.	.	H	α-helix	trans	-63.3	-43.2	177.9	174.5	-99.4	0	0	0	112.2	P124 T266 F291 V405 E406 N407 S412 G413 M468 F472	P124-Y409 VanDerWaalsContact CB-OH 3.27Å; P124-Y409 WeakPolarHBondContact CB-OH 3.11Å; P124-Y409 WeakPolarHBondContact CG-OH 3.35Å; T266-Y409 HydrophobicContact CG2-CD1 3.75Å; T266-Y409 HydrophobicContact CG2-CE1 4.23Å; F291-Y409 WeakPolarHBondContact CA-OH 3.47Å; F291-Y409 HydrophobicContact CB-CE2 4.05Å; F291-Y409 HydrophobicContact CD2-CE2 4.09Å; F291-Y409 WeakPolarHBondContact O-CE2 3.31Å; F291-Y409 PolarHBondContact O-OH 3Å; V405-Y409 VanDerWaalsContact O-CB 3.28Å; V405-Y409 WeakPolarHBondContact O-CB 3.37Å; V405-Y409 PolarHBondContact O-N 3.27Å; E406-Y409 PolarHBondContact O-N 3.02Å; N407-Y409 VanDerWaalsContact C-N 3.31Å; N407-Y409 PolarHBondContact O-N 2.96Å; Y409-S412 PolarHBondContact O-OG 3.46Å; Y409-G413 WeakPolarHBondContact O-CA 3.34Å; Y409-G413 PolarHBondContact O-N 3.43Å; Y409-M468 HydrophobicContact CD2-SD 4.43Å; Y409-F472 HydrophobicContact CD1-CE2 4.17Å; Y409-F472 AromaticContact CD1-CZ 3.94Å; Y409-F472 HydrophobicContact CD1-CZ 3.94Å; Y409-F472 HydrophobicContact CD2-CE2 4.18Å; Y409-F472 AromaticContact CG-CE2 3.88Å; Y409-F472 HydrophobicContact CG-CE2 3.88Å; Y409-F472 AromaticContact CG-CZ 3.99Å; Y409-F472 HydrophobicContact CG-CZ 3.99Å
410	Q	89.9	Confident	92.5	Very high	28 Å²	28	19.6 Å²	19.6	13%	0.131	10%	0.099	C	C	.	.	H	α-helix	trans	-67.6	-41.2	178.3	-163.1	-168.4	31.4	0	0	112.1	T125 E406 N407	T125-Q410 HydrophobicContact CG2-CG 4Å; E406-Q410 WeakPolarHBondContact O-CB 3.36Å; E406-Q410 PolarHBondContact O-N 2.99Å; N407-Q410 PolarHBondContact O-N 3.26Å
411	E	93.1	Very high	92.6	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-68	-51.4	179.4	-72.7	158.9	-164.7	0	0	111.5	Y330 V382 H398 S402 N407 Y408 G413 R414	Y330-E411 HydrophobicContact CD2-CB 3.89Å; Y330-E411 HydrophobicContact CD2-CG 4.24Å; Y330-E411 HydrophobicContact CE1-CG 4.46Å; Y330-E411 HydrophobicContact CE2-CB 3.57Å; Y330-E411 HydrophobicContact CE2-CG 3.91Å; V382-E411 WeakPolarHBondContact CG1-OE1 3.37Å; H398-E411 IonicContact CD2-OE2 3.61Å; H398-E411 PolarHBondContact CD2-OE2 3.48Å; H398-E411 IonicContact CE1-OE2 3.71Å; H398-E411 IonicContact NE2-OE2 2.87Å; H398-E411 PolarHBondContact NE2-OE2 3.29Å; S402-E411 WeakPolarHBondContact CB-OE2 3.39Å; S402-E411 PolarHBondContact OG-OE2 2.86Å; N407-E411 VanDerWaalsContact O-CB 3.26Å; N407-E411 WeakPolarHBondContact O-CB 2.84Å; N407-E411 WeakPolarHBondContact O-CG 3.38Å; N407-E411 PolarHBondContact O-N 3.43Å; Y408-E411 PolarHBondContact O-N 3.12Å; E411-G413 VanDerWaalsContact C-N 3.33Å; E411-G413 PolarHBondContact O-N 3.04Å; E411-R414 WeakPolarHBondContact O-CB 3.43Å; E411-R414 VanDerWaalsContact O-CG 3.29Å; E411-R414 WeakPolarHBondContact O-CG 3.29Å; E411-R414 PolarHBondContact O-N 3.11Å
412	S	94.4	Very high	92.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.1	-32.4	177.5	63.7	0	0	0	0	112.6	Y408 Y409 R414 A415	Y408-S412 WeakPolarHBondContact O-CB 3.37Å; Y408-S412 PolarHBondContact O-N 3.21Å; Y408-S412 PolarHBondContact O-OG 3.36Å; Y409-S412 PolarHBondContact O-OG 3.46Å; S412-R414 PolarHBondContact O-N 2.9Å; S412-A415 WeakPolarHBondContact O-CB 3.42Å; S412-A415 PolarHBondContact O-N 3.43Å
413	G	91.4	Very high	92.8	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-4.9	177.5	0	0	0	0	0	115.4	R293 Y409 E411 A415	R293-G413 PolarHBondContact NH1-O 3.07Å; R293-G413 VanDerWaalsContact NH1-O 3.12Å; Y409-G413 WeakPolarHBondContact O-CA 3.34Å; Y409-G413 PolarHBondContact O-N 3.43Å; E411-G413 VanDerWaalsContact C-N 3.33Å; E411-G413 PolarHBondContact O-N 3.04Å; G413-A415 VanDerWaalsContact C-N 3.29Å
414	R	91.3	Very high	93	Very high	9 Å²	9	22.4 Å²	22.4	3%	0.034	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.5	170.1	-61.1	179.5	-171.9	-64.2	-10.3	112.7	I328 Y330 G385 E411 S412	I328-R414 HydrophobicContact CD1-CB 4.29Å; Y330-R414 WeakPolarHBondContact OH-CD 3.5Å; Y330-R414 PolarHBondContact OH-NE 3.37Å; G385-R414 PolarHBondContact O-NH1 3.2Å; G385-R414 PolarHBondContact O-NH2 3.03Å; G385-R414 VanDerWaalsContact O-NH2 3.14Å; E411-R414 WeakPolarHBondContact O-CB 3.43Å; E411-R414 VanDerWaalsContact O-CG 3.29Å; E411-R414 WeakPolarHBondContact O-CG 3.29Å; E411-R414 PolarHBondContact O-N 3.11Å; S412-R414 PolarHBondContact O-N 2.9Å
415	A	94.2	Very high	93.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-70.3	150.6	173.8	0	0	0	0	0	111.1	R293 L296 V393 V396 S412 G413 R417 A422	R293-A415 PolarHBondContact NH2-O 3.42Å; L296-A415 HydrophobicContact CD2-CB 3.82Å; V393-A415 WeakPolarHBondContact O-CA 3.49Å; V396-A415 HydrophobicContact CG2-CB 3.83Å; S412-A415 WeakPolarHBondContact O-CB 3.42Å; S412-A415 PolarHBondContact O-N 3.43Å; G413-A415 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 3.41Å; A415-A422 HydrophobicContact CB-CB 3.71Å
416	G	93.1	Very high	93.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.			trans	59.5	38	164.6	0	0	0	0	0	115.7	R293 N295 V393 D418 D419	R293-G416 PolarHBondContact NH2-O 3.39Å; N295-G416 WeakPolarHBondContact ND2-CA 3.34Å; N295-G416 PolarHBondContact ND2-O 2.63Å; V393-G416 PolarHBondContact O-N 3.47Å; G416-D418 PolarHBondContact O-N 3.19Å; G416-D419 WeakPolarHBondContact O-CA 3.43Å; G416-D419 PolarHBondContact O-N 3.24Å
417	R	90	Very high	93.8	Very high	31 Å²	31	21.7 Å²	21.7	12%	0.117	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.5	-178.7	-79.9	-168.7	-176.5	-177.7	16.3	113.7	I388 D389 P391 A415 D419	I388-R417 PolarHBondContact O-NH1 2.83Å; I388-R417 PolarHBondContact O-NH2 3.25Å; D389-R417 VanDerWaalsContact CA-NH1 3.34Å; D389-R417 WeakPolarHBondContact OD1-CD 3.43Å; D389-R417 IonicContact OD1-CZ 3.99Å; D389-R417 IonicContact OD1-NE 2.78Å; D389-R417 IonicContact OD1-NH1 3.24Å; D389-R417 PolarHBondContact OD1-NH1 3.02Å; P391-R417 PolarHBondContact O-N 3.45Å; P391-R417 VanDerWaalsContact O-N 3.08Å; A415-R417 PolarHBondContact O-N 3.41Å; R417-D419 PolarHBondContact O-N 2.84Å
418	D	89.6	Confident	94.1	Very high	50 Å²	50	21.9 Å²	21.9	27%	0.267	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	6	163.6	56	7.2	0	0	0	113.9	P391 R394 G416 L420	P391-D418 HydrophobicContact CB-CB 4.24Å; P391-D418 VanDerWaalsContact O-CG 3.3Å; P391-D418 PolarHBondContact O-N 3.17Å; P391-D418 VanDerWaalsContact O-N 3.09Å; R394-D418 IonicContact CZ-OD1 3.27Å; R394-D418 IonicContact CZ-OD2 2.72Å; R394-D418 VanDerWaalsContact CZ-OD2 3.24Å; R394-D418 IonicContact NH1-OD1 3.7Å; R394-D418 IonicContact NH1-OD2 3.69Å; R394-D418 PolarHBondContact NH1-OD2 3.01Å; R394-D418 IonicContact NH2-OD1 2.82Å; R394-D418 PolarHBondContact NH2-OD1 3.22Å; R394-D418 IonicContact NH2-OD2 3.67Å; R394-D418 PolarHBondContact NH2-OD2 3.33Å; G416-D418 PolarHBondContact O-N 3.19Å; D418-L420 HydrophobicContact CB-CG 4.38Å; D418-L420 PolarHBondContact O-N 3.37Å; D418-L420 VanDerWaalsContact O-N 3.11Å; D418-L420 WeakPolarHBondContact OD1-CB 3.47Å; D418-L420 PolarHBondContact OD1-N 2.99Å; D418-L420 VanDerWaalsContact OD1-N 3.08Å
419	D	89.5	Confident	94	Very high	86 Å²	86	22.3 Å²	22.3	46%	0.46	12%	0.122	S	C	.	.	S	Bend	trans	61.4	10.1	-175.2	-63.6	-47.2	0	0	0	114.6	N295 G416 R417	N295-D419 VanDerWaalsContact CB-O 3.24Å; N295-D419 WeakPolarHBondContact CB-O 3.32Å; G416-D419 WeakPolarHBondContact O-CA 3.43Å; G416-D419 PolarHBondContact O-N 3.24Å; R417-D419 PolarHBondContact O-N 2.84Å
420	L	94.3	Very high	94	Very high	95 Å²	95	22.5 Å²	22.5	50%	0.497	12%	0.122	S	C	.	.	S	Bend	trans	-81.7	157.5	173	-62.7	-178.7	0	0	0	111.6	N295 D418 A422	N295-L420 PolarHBondContact ND2-O 3.43Å; D418-L420 HydrophobicContact CB-CG 4.38Å; D418-L420 PolarHBondContact O-N 3.37Å; D418-L420 VanDerWaalsContact O-N 3.11Å; D418-L420 WeakPolarHBondContact OD1-CB 3.47Å; D418-L420 PolarHBondContact OD1-N 2.99Å; D418-L420 VanDerWaalsContact OD1-N 3.08Å; L420-A422 PolarHBondContact O-N 2.99Å
421	P	96.3	Very high	94.1	Very high	95 Å²	95	23.3 Å²	23.3	62%	0.617	13%	0.134	S	C	*	.			trans	-53	134.6	179.2	-27.7	35.8	0	0	0	113.1	N295 R394	N295-P421 WeakPolarHBondContact O-CA 3.06Å; R394-P421 PolarHBondContact NE-O 3.49Å
422	A	97.5	Very high	94.1	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.8	179.3	0	0	0	0	0	110.3	N295 L296 F297 R394 A415 L420	N295-A422 PolarHBondContact O-N 3.38Å; N295-A422 VanDerWaalsContact O-N 3.11Å; L296-A422 CarbonylContact C-O 3.44Å; L296-A422 WeakPolarHBondContact CA-O 3.43Å; L296-A422 HydrophobicContact CD2-CB 3.67Å; F297-A422 PolarHBondContact N-O 3.19Å; R394-A422 CarbonylContact O-C 3.51Å; R394-A422 VanDerWaalsContact O-CA 3.22Å; R394-A422 WeakPolarHBondContact O-CA 3.4Å; R394-A422 WeakPolarHBondContact O-CB 3.2Å; A415-A422 HydrophobicContact CB-CB 3.71Å; L420-A422 PolarHBondContact O-N 2.99Å
423	D	97.9	Very high	94.1	Very high	23 Å²	23	23.2 Å²	23.2	12%	0.123	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.8	-175.3	-65.7	-69.3	0	0	0	112.4	F297 K321 Y322 R394 F395 V396 I425	F297-D423 VanDerWaalsContact CB-OD1 3.28Å; F297-D423 WeakPolarHBondContact CB-OD1 3.35Å; F297-D423 WeakPolarHBondContact CD1-OD1 3.43Å; K321-D423 WeakPolarHBondContact CE-OD2 3.47Å; K321-D423 IonicContact NZ-OD1 3.79Å; K321-D423 PolarHBondContact NZ-OD1 3.06Å; K321-D423 IonicContact NZ-OD2 2.7Å; K321-D423 PolarHBondContact NZ-OD2 3.45Å; Y322-D423 HydrophobicContact CE1-CB 4.23Å; Y322-D423 WeakPolarHBondContact CE1-OD2 3.09Å; Y322-D423 WeakPolarHBondContact OH-CB 3.19Å; Y322-D423 VanDerWaalsContact OH-CG 3.27Å; Y322-D423 PolarHBondContact OH-OD2 3.15Å; R394-D423 PolarHBondContact O-N 3.13Å; F395-D423 CarbonylContact C-O 3.51Å; F395-D423 VanDerWaalsContact CA-O 3.25Å; F395-D423 WeakPolarHBondContact CA-O 3.47Å; V396-D423 PolarHBondContact N-O 3.06Å; D423-I425 HydrophobicContact CB-CG1 4.49Å
424	C	98	Very high	94.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	106.3	178.8	-59.7	0	0	0	0	108.3	F297 Y298 E299 V396	F297-C424 WeakPolarHBondContact O-CB 3.3Å; F297-C424 PolarHBondContact O-N 3.27Å; Y298-C424 HydrophobicContact CD1-CB 3.66Å; Y298-C424 HydrophobicContact CE1-CB 3.94Å; E299-C424 PolarHBondContact N-O 3.34Å; V396-C424 WeakPolarHBondContact O-CA 3.32Å
425	I	98.1	Very high	94.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.1	-170.5	-54.6	172.6	0	0	0	109.7	E299 R301 L317 V396 I397 H398 D423 Y427	E299-I425 HydrophobicContact CB-CG1 4.36Å; E299-I425 WeakPolarHBondContact O-CA 3.22Å; R301-I425 HydrophobicContact CG-CG2 4.17Å; L317-I425 HydrophobicContact CD1-CD1 4.04Å; V396-I425 PolarHBondContact O-N 3.21Å; I397-I425 CarbonylContact C-O 3.6Å; I397-I425 WeakPolarHBondContact CA-O 3.43Å; I397-I425 HydrophobicContact CG1-CB 4.39Å; H398-I425 PolarHBondContact N-O 3.38Å; D423-I425 HydrophobicContact CB-CG1 4.49Å; I425-Y427 HydrophobicContact CG2-CE2 4.41Å
426	I	97.8	Very high	94.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.1	171.9	-62.2	157.5	0	0	0	110.6	E299 V300 R301 H398 M401 Y408 M453 Y456	E299-I426 PolarHBondContact O-N 3.08Å; V300-I426 HydrophobicContact CG2-CB 4.45Å; V300-I426 HydrophobicContact CG2-CD1 4.2Å; R301-I426 PolarHBondContact N-O 3Å; H398-I426 HydrophobicContact CB-CB 4.31Å; H398-I426 HydrophobicContact CB-CG1 3.94Å; H398-I426 HydrophobicContact CB-CG2 4.36Å; M401-I426 HydrophobicContact CB-CG2 4.06Å; Y408-I426 HydrophobicContact CD1-CD1 4.17Å; Y408-I426 HydrophobicContact CD2-CD1 3.8Å; Y408-I426 HydrophobicContact CD2-CG1 4.03Å; Y408-I426 HydrophobicContact CE1-CD1 3.69Å; Y408-I426 HydrophobicContact CE2-CD1 3.32Å; Y408-I426 HydrophobicContact CE2-CG1 3.38Å; Y408-I426 HydrophobicContact CG-CD1 4.22Å; I426-M453 HydrophobicContact CD1-CE 3.52Å; I426-Y456 HydrophobicContact CD1-CD1 4.34Å; I426-Y456 HydrophobicContact CD1-CE1 3.77Å
427	Y	96.7	Very high	94	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	107.8	162	-69.9	-83.3	0	0	0	109.7	R301 L310 D313 I314 I397 H398 I425	R301-Y427 HydrophobicContact CB-CD1 4Å; R301-Y427 HydrophobicContact CB-CE1 4.08Å; R301-Y427 WeakPolarHBondContact O-CA 3.38Å; L310-Y427 HydrophobicContact CD1-CD1 3.35Å; L310-Y427 HydrophobicContact CD1-CD2 4.17Å; L310-Y427 HydrophobicContact CD1-CE1 3.54Å; L310-Y427 HydrophobicContact CD1-CE2 4.33Å; L310-Y427 HydrophobicContact CD1-CG 3.68Å; D313-Y427 PolarHBondContact OD2-OH 2.92Å; I314-Y427 HydrophobicContact CD1-CD2 4.41Å; I314-Y427 HydrophobicContact CD1-CE2 3.97Å; I314-Y427 HydrophobicContact CG1-CE2 3.62Å; I397-Y427 HydrophobicContact CG2-CD2 3.89Å; I397-Y427 HydrophobicContact CG2-CE2 3.65Å; H398-Y427 PolarHBondContact O-N 3.22Å; I425-Y427 HydrophobicContact CG2-CE2 4.41Å
428	F	95.4	Very high	94.1	Very high	19 Å²	19	26.7 Å²	26.7	8%	0.083	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.3	179.3	176.7	-107.6	0	0	0	110.6	V300 R301 K303 M401 I433 V454 C457 Q458	V300-F428 HydrophobicContact CG1-CB 3.95Å; R301-F428 PolarHBondContact O-N 3.08Å; K303-F428 VanDerWaalsContact CB-O 3.32Å; K303-F428 WeakPolarHBondContact CB-O 3.44Å; K303-F428 PolarHBondContact N-O 3.45Å; M401-F428 HydrophobicContact SD-CD2 3.83Å; M401-F428 HydrophobicContact SD-CE2 3.86Å; F428-I433 HydrophobicContact CE2-CD1 4.19Å; F428-I433 HydrophobicContact CE2-CG1 4.2Å; F428-I433 HydrophobicContact CZ-CD1 3.93Å; F428-I433 HydrophobicContact CZ-CG1 4.42Å; F428-V454 HydrophobicContact CE2-CG1 4.38Å; F428-V454 HydrophobicContact CZ-CG1 4.38Å; F428-C457 HydrophobicContact CB-CB 4.17Å; F428-C457 HydrophobicContact CD1-CB 4.48Å; F428-C457 HydrophobicContact CD2-CB 3.35Å; F428-C457 HydrophobicContact CE2-CB 3.77Å; F428-C457 HydrophobicContact CG-CB 3.75Å; F428-C457 HydrophobicContact CZ-CB 4.48Å; F428-Q458 HydrophobicContact CE1-CG 4.48Å; F428-Q458 HydrophobicContact CZ-CG 4.24Å
429	G	93.1	Very high	94	Very high	9 Å²	9	28.9 Å²	28.9	9%	0.093	16%	0.159	C	C	.	.			trans	-117.9	136.9	175.8	0	0	0	0	0	112	A431 D432	G429-A431 VanDerWaalsContact C-N 3.32Å; G429-A431 PolarHBondContact O-N 2.81Å; G429-D432 WeakPolarHBondContact O-CB 3.41Å; G429-D432 PolarHBondContact O-N 3.27Å; G429-D432 VanDerWaalsContact O-N 3.09Å
430	F	92.3	Very high	94	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-56.6	-42.8	179.8	178.3	-109.4	0	0	0	113	D432 I433 F434 P522 L523 V526 E552 I555 V556	F430-D432 VanDerWaalsContact C-N 3.26Å; F430-D432 PolarHBondContact O-N 3.06Å; F430-I433 HydrophobicContact CD2-CD1 4.41Å; F430-I433 PolarHBondContact O-N 3.4Å; F430-F434 HydrophobicContact CD1-CE2 4.15Å; F430-F434 HydrophobicContact CD2-CE2 4.23Å; F430-F434 AromaticContact CE1-CE2 3.77Å; F430-F434 HydrophobicContact CE1-CE2 3.77Å; F430-F434 HydrophobicContact CE1-CZ 4.46Å; F430-F434 AromaticContact CE2-CE2 3.85Å; F430-F434 HydrophobicContact CE2-CE2 3.85Å; F430-F434 HydrophobicContact CE2-CZ 4.02Å; F430-F434 HydrophobicContact CG-CE2 4.38Å; F430-F434 AromaticContact CZ-CE2 3.61Å; F430-F434 HydrophobicContact CZ-CE2 3.61Å; F430-F434 AromaticContact CZ-CZ 3.88Å; F430-F434 HydrophobicContact CZ-CZ 3.88Å; F430-F434 WeakPolarHBondContact O-CD2 3.37Å; F430-F434 WeakPolarHBondContact O-CE2 3.27Å; F430-P522 HydrophobicContact CE1-CB 3.76Å; F430-P522 HydrophobicContact CZ-CB 3.73Å; F430-L523 HydrophobicContact CD1-CD2 4.11Å; F430-L523 HydrophobicContact CE1-CD2 4.28Å; F430-V526 HydrophobicContact CE1-CG2 3.77Å; F430-V526 HydrophobicContact CZ-CG2 3.94Å; F430-E552 HydrophobicContact CB-CB 4.15Å; F430-E552 HydrophobicContact CB-CG 4Å; F430-E552 VanDerWaalsContact CB-OE2 3.31Å; F430-E552 WeakPolarHBondContact CB-OE2 3.39Å; F430-E552 HydrophobicContact CD1-CG 3.88Å; F430-E552 HydrophobicContact CD2-CB 3.82Å; F430-E552 HydrophobicContact CD2-CG 4.05Å; F430-E552 HydrophobicContact CE1-CG 4.34Å; F430-E552 HydrophobicContact CE2-CB 4.34Å; F430-E552 HydrophobicContact CE2-CG 4.49Å; F430-E552 HydrophobicContact CG-CB 3.94Å; F430-E552 HydrophobicContact CG-CG 3.71Å; F430-I555 HydrophobicContact CE2-CB 4.32Å; F430-I555 HydrophobicContact CE2-CG2 4.07Å; F430-I555 HydrophobicContact CZ-CB 4.49Å; F430-I555 HydrophobicContact CZ-CG2 4.02Å; F430-V556 HydrophobicContact CD2-CG2 3.52Å; F430-V556 HydrophobicContact CE2-CG2 3.66Å
431	A	91.4	Very high	93.6	Very high	45 Å²	45	22.2 Å²	22.2	37%	0.372	13%	0.126	S	C	.	.	H	α-helix	trans	-67	-25.5	179.7	0	0	0	0	0	113.5	G429 I433 F434 R435	G429-A431 VanDerWaalsContact C-N 3.32Å; G429-A431 PolarHBondContact O-N 2.81Å; A431-I433 VanDerWaalsContact C-N 3.3Å; A431-I433 PolarHBondContact O-N 3Å; A431-F434 PolarHBondContact O-N 2.91Å; A431-R435 WeakPolarHBondContact O-CG 3.45Å; A431-R435 PolarHBondContact O-N 2.74Å
432	D	93.3	Very high	92.9	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-71	-26.9	-177.3	-75.6	-29.4	0	0	0	112	K303 T400 G429 F430 F434 R435 I436	K303-D432 IonicContact NZ-OD1 3.85Å; K303-D432 IonicContact NZ-OD2 3.22Å; K303-D432 PolarHBondContact NZ-OD2 2.96Å; T400-D432 HydrophobicContact CG2-CB 3.72Å; T400-D432 VanDerWaalsContact CG2-CG 3.48Å; T400-D432 PolarHBondContact OG1-OD2 3.37Å; G429-D432 WeakPolarHBondContact O-CB 3.41Å; G429-D432 PolarHBondContact O-N 3.27Å; G429-D432 VanDerWaalsContact O-N 3.09Å; F430-D432 VanDerWaalsContact C-N 3.26Å; F430-D432 PolarHBondContact O-N 3.06Å; D432-F434 VanDerWaalsContact C-N 3.34Å; D432-F434 PolarHBondContact O-N 2.84Å; D432-R435 PolarHBondContact O-N 3.33Å; D432-R435 IonicContact OD1-NH1 2.72Å; D432-R435 PolarHBondContact OD1-NH1 3.14Å; D432-I436 WeakPolarHBondContact O-CD1 3.38Å; D432-I436 VanDerWaalsContact O-CG1 3.27Å; D432-I436 WeakPolarHBondContact O-CG1 3.37Å; D432-I436 PolarHBondContact O-N 2.97Å
433	I	94	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-52.9	-54.9	173.9	-56.6	174	0	0	0	109.7	M401 F428 F430 A431 I436 S437 V454 V556 L559	M401-I433 HydrophobicContact CE-CB 4.16Å; M401-I433 HydrophobicContact CE-CG1 3.77Å; F428-I433 HydrophobicContact CE2-CD1 4.19Å; F428-I433 HydrophobicContact CE2-CG1 4.2Å; F428-I433 HydrophobicContact CZ-CD1 3.93Å; F428-I433 HydrophobicContact CZ-CG1 4.42Å; F430-I433 HydrophobicContact CD2-CD1 4.41Å; F430-I433 PolarHBondContact O-N 3.4Å; A431-I433 VanDerWaalsContact C-N 3.3Å; A431-I433 PolarHBondContact O-N 3Å; I433-I436 PolarHBondContact O-N 2.89Å; I433-S437 WeakPolarHBondContact O-CB 3.49Å; I433-S437 PolarHBondContact O-N 3.41Å; I433-V454 HydrophobicContact CB-CG2 4.5Å; I433-V454 HydrophobicContact CD1-CG1 4.01Å; I433-V454 HydrophobicContact CD1-CG2 4.29Å; I433-V454 HydrophobicContact CG1-CG2 3.95Å; I433-V454 HydrophobicContact CG2-CG2 3.99Å; I433-V556 HydrophobicContact CD1-CG1 4.17Å; I433-V556 HydrophobicContact CD1-CG2 3.51Å; I433-L559 HydrophobicContact CG2-CD2 4.47Å
434	F	92.3	Very high	91.2	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-75.5	-31	-172.9	-50.8	-71.2	0	0	0	112.9	F430 A431 D432 I436 S437 T438 P522 L559 E566 F577 L579	F430-F434 HydrophobicContact CD1-CE2 4.15Å; F430-F434 HydrophobicContact CD2-CE2 4.23Å; F430-F434 AromaticContact CE1-CE2 3.77Å; F430-F434 HydrophobicContact CE1-CE2 3.77Å; F430-F434 HydrophobicContact CE1-CZ 4.46Å; F430-F434 AromaticContact CE2-CE2 3.85Å; F430-F434 HydrophobicContact CE2-CE2 3.85Å; F430-F434 HydrophobicContact CE2-CZ 4.02Å; F430-F434 HydrophobicContact CG-CE2 4.38Å; F430-F434 AromaticContact CZ-CE2 3.61Å; F430-F434 HydrophobicContact CZ-CE2 3.61Å; F430-F434 AromaticContact CZ-CZ 3.88Å; F430-F434 HydrophobicContact CZ-CZ 3.88Å; F430-F434 WeakPolarHBondContact O-CD2 3.37Å; F430-F434 WeakPolarHBondContact O-CE2 3.27Å; A431-F434 PolarHBondContact O-N 2.91Å; D432-F434 VanDerWaalsContact C-N 3.34Å; D432-F434 PolarHBondContact O-N 2.84Å; F434-I436 VanDerWaalsContact C-N 3.33Å; F434-S437 PolarHBondContact O-N 2.82Å; F434-T438 PolarHBondContact O-N 3.47Å; F434-T438 PolarHBondContact O-OG1 3.35Å; F434-P522 HydrophobicContact CD1-CB 4.47Å; F434-P522 HydrophobicContact CD1-CG 3.6Å; F434-P522 HydrophobicContact CD2-CB 3.88Å; F434-P522 HydrophobicContact CD2-CG 3.75Å; F434-P522 HydrophobicContact CE1-CB 3.97Å; F434-P522 HydrophobicContact CE1-CG 3.35Å; F434-P522 HydrophobicContact CE2-CB 3.31Å; F434-P522 HydrophobicContact CE2-CG 3.53Å; F434-P522 HydrophobicContact CG-CB 4.43Å; F434-P522 HydrophobicContact CG-CG 3.79Å; F434-P522 HydrophobicContact CZ-CB 3.36Å; F434-P522 HydrophobicContact CZ-CG 3.32Å; F434-L559 HydrophobicContact CE1-CD2 4.24Å; F434-E566 WeakPolarHBondContact CD1-OE1 3.47Å; F434-E566 HydrophobicContact CE1-CG 4.48Å; F434-E566 WeakPolarHBondContact CE1-OE1 3.45Å; F434-F577 HydrophobicContact CB-CD1 3.99Å; F434-F577 HydrophobicContact CB-CD2 3.47Å; F434-F577 VanDerWaalsContact CB-CD2 3.47Å; F434-F577 HydrophobicContact CB-CE1 3.77Å; F434-F577 HydrophobicContact CB-CE2 3.21Å; F434-F577 HydrophobicContact CB-CG 3.86Å; F434-F577 HydrophobicContact CB-CZ 3.38Å; F434-F577 AromaticContact CD1-CD2 3.88Å; F434-F577 HydrophobicContact CD1-CD2 3.88Å; F434-F577 HydrophobicContact CD1-CE2 4.11Å; F434-F577 AromaticContact CD2-CE2 4Å; F434-F577 HydrophobicContact CD2-CE2 4Å; F434-F577 AromaticContact CG-CD2 3.72Å; F434-F577 HydrophobicContact CG-CD2 3.72Å; F434-F577 AromaticContact CG-CE2 3.49Å; F434-F577 HydrophobicContact CG-CE2 3.49Å; F434-F577 VanDerWaalsContact CG-CE2 3.49Å; F434-F577 HydrophobicContact CG-CZ 4.13Å; F434-L579 HydrophobicContact CE1-CD2 4.27Å
435	R	91.7	Very high	90.4	Very high	80 Å²	80	33.9 Å²	33.9	30%	0.302	18%	0.179	S	C	.	.	H	α-helix	trans	-60.4	-45.1	171.8	-71.3	175.8	70	-161.1	7.9	111.2	F332 D336 A431 D432 M439	F332-R435 VanDerWaalsContact CD1-NH2 3.33Å; F332-R435 HydrophobicContact CE1-CB 4.29Å; F332-R435 HydrophobicContact CZ-CB 4.26Å; F332-R435 WeakPolarHBondContact CZ-O 3.32Å; D336-R435 IonicContact OD1-NH2 3.6Å; D336-R435 IonicContact OD2-CZ 3.08Å; D336-R435 IonicContact OD2-NH1 2.75Å; D336-R435 IonicContact OD2-NH2 3.82Å; D336-R435 PolarHBondContact OD2-NH2 2.92Å; A431-R435 WeakPolarHBondContact O-CG 3.45Å; A431-R435 PolarHBondContact O-N 2.74Å; D432-R435 PolarHBondContact O-N 3.33Å; D432-R435 IonicContact OD1-NH1 2.72Å; D432-R435 PolarHBondContact OD1-NH1 3.14Å; R435-M439 PolarHBondContact O-N 2.73Å
436	I	93.4	Very high	89.8	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-71.3	-41.1	178.4	-62	162.8	0	0	0	110.2	F332 T400 M401 K403 D432 I433 F434 T438 M439 V440 L450	F332-I436 HydrophobicContact CD2-CG1 3.72Å; F332-I436 HydrophobicContact CE2-CB 4.3Å; F332-I436 HydrophobicContact CE2-CG1 3.63Å; T400-I436 HydrophobicContact CG2-CD1 3.99Å; M401-I436 HydrophobicContact CE-CD1 3.71Å; M401-I436 HydrophobicContact CG-CD1 3.69Å; M401-I436 WeakPolarHBondContact O-CD1 3.37Å; K403-I436 HydrophobicContact CB-CG2 3.89Å; D432-I436 WeakPolarHBondContact O-CD1 3.38Å; D432-I436 VanDerWaalsContact O-CG1 3.27Å; D432-I436 WeakPolarHBondContact O-CG1 3.37Å; D432-I436 PolarHBondContact O-N 2.97Å; I433-I436 PolarHBondContact O-N 2.89Å; F434-I436 VanDerWaalsContact C-N 3.33Å; I436-T438 VanDerWaalsContact C-N 3.33Å; I436-T438 PolarHBondContact O-N 2.93Å; I436-M439 HydrophobicContact CG2-CE 4.42Å; I436-M439 WeakPolarHBondContact O-CA 3.39Å; I436-M439 WeakPolarHBondContact O-CB 3.49Å; I436-M439 PolarHBondContact O-N 3.07Å; I436-V440 HydrophobicContact CG2-CG1 4.24Å; I436-V440 WeakPolarHBondContact O-CG2 3.47Å; I436-V440 PolarHBondContact O-N 3.35Å; I436-L450 HydrophobicContact CB-CD1 3.99Å; I436-L450 HydrophobicContact CB-CD2 4.3Å; I436-L450 HydrophobicContact CD1-CD1 4.4Å; I436-L450 HydrophobicContact CG2-CD1 3.69Å; I436-L450 HydrophobicContact CG2-CD2 4.19Å; I436-L450 HydrophobicContact CG2-CG 4.46Å
437	S	92.3	Very high	89.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.9	-47.9	178.8	-161.3	0	0	0	0	112.2	I433 F434 M439 V440 V441 Y447 L450 E566 Y568	I433-S437 WeakPolarHBondContact O-CB 3.49Å; I433-S437 PolarHBondContact O-N 3.41Å; F434-S437 PolarHBondContact O-N 2.82Å; S437-M439 VanDerWaalsContact C-N 3.27Å; S437-M439 PolarHBondContact O-N 2.89Å; S437-V440 WeakPolarHBondContact O-CG2 3.34Å; S437-V440 PolarHBondContact O-N 3.5Å; S437-V441 PolarHBondContact O-N 3Å; S437-V441 VanDerWaalsContact O-N 3.16Å; S437-Y447 WeakPolarHBondContact OG-CD2 3.38Å; S437-L450 VanDerWaalsContact CA-CD2 3.43Å; S437-E566 WeakPolarHBondContact CB-OE2 3.26Å; S437-E566 PolarHBondContact OG-OE2 3.5Å; S437-Y568 PolarHBondContact OG-OH 3.46Å
438	T	90.4	Very high	89	Confident	32 Å²	32	42.6 Å²	42.6	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-36.6	174.7	-67.5	0	0	0	0	113.3	F434 I436 V441 T575	F434-T438 PolarHBondContact O-N 3.47Å; F434-T438 PolarHBondContact O-OG1 3.35Å; I436-T438 VanDerWaalsContact C-N 3.33Å; I436-T438 PolarHBondContact O-N 2.93Å; T438-V441 VanDerWaalsContact O-CG1 3.31Å; T438-V441 WeakPolarHBondContact O-CG1 3.44Å; T438-T575 HydrophobicContact CG2-CG2 3.86Å
439	M	87.4	Confident	88.7	Confident	96 Å²	96	42.7 Å²	42.7	47%	0.473	22%	0.218	S	C	.	.	H	α-helix	trans	-71.1	-35.5	179.6	-176	-172.1	71.4	0	0	111.9	F332 R435 I436 S437	F332-M439 HydrophobicContact CE2-CB 4.41Å; F332-M439 HydrophobicContact CE2-CE 4.09Å; F332-M439 HydrophobicContact CE2-SD 3.75Å; F332-M439 HydrophobicContact CZ-CB 4.21Å; F332-M439 HydrophobicContact CZ-SD 4.03Å; R435-M439 PolarHBondContact O-N 2.73Å; I436-M439 HydrophobicContact CG2-CE 4.42Å; I436-M439 WeakPolarHBondContact O-CA 3.39Å; I436-M439 WeakPolarHBondContact O-CB 3.49Å; I436-M439 PolarHBondContact O-N 3.07Å; S437-M439 VanDerWaalsContact C-N 3.27Å; S437-M439 PolarHBondContact O-N 2.89Å
440	V	89.4	Confident	88.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-94.8	5.5	-174.7	-56	0	0	0	0	113.6	K403 I436 S437 M442 E443 L450	K403-V440 HydrophobicContact CB-CG1 4.24Å; K403-V440 HydrophobicContact CD-CG1 4.35Å; I436-V440 HydrophobicContact CG2-CG1 4.24Å; I436-V440 WeakPolarHBondContact O-CG2 3.47Å; I436-V440 PolarHBondContact O-N 3.35Å; S437-V440 WeakPolarHBondContact O-CG2 3.34Å; S437-V440 PolarHBondContact O-N 3.5Å; V440-M442 PolarHBondContact O-N 3.24Å; V440-M442 VanDerWaalsContact O-N 3.16Å; V440-E443 HydrophobicContact CB-CG 4.46Å; V440-E443 WeakPolarHBondContact O-CB 3.37Å; V440-E443 PolarHBondContact O-N 3.44Å; V440-L450 HydrophobicContact CG2-CD2 4.47Å
441	V	87.1	Confident	88.8	Confident	40 Å²	40	43.4 Å²	43.4	24%	0.242	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.6	-177.5	73.4	0	0	0	0	113.4	S437 T438 Y568 F570	S437-V441 PolarHBondContact O-N 3Å; S437-V441 VanDerWaalsContact O-N 3.16Å; T438-V441 VanDerWaalsContact O-CG1 3.31Å; T438-V441 WeakPolarHBondContact O-CG1 3.44Å; V441-Y568 HydrophobicContact CB-CE1 4.38Å; V441-Y568 HydrophobicContact CG2-CD1 4Å; V441-Y568 HydrophobicContact CG2-CD2 3.79Å; V441-Y568 HydrophobicContact CG2-CE1 4.06Å; V441-Y568 HydrophobicContact CG2-CE2 3.87Å; V441-Y568 HydrophobicContact CG2-CG 3.85Å; V441-F570 HydrophobicContact CG1-CE1 4.16Å; V441-F570 HydrophobicContact CG1-CZ 4.41Å; V441-F570 HydrophobicContact CG2-CZ 4.16Å
442	M	82.1	Confident	88.9	Confident	145 Å²	145	45.4 Å²	45.4	71%	0.714	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.8	178.2	-60.6	-63.9	163.8	0	0	113	V440 F570	V440-M442 PolarHBondContact O-N 3.24Å; V440-M442 VanDerWaalsContact O-N 3.16Å; M442-F570 HydrophobicContact CE-CD1 4.33Å; M442-F570 HydrophobicContact CE-CE1 3.52Å; M442-F570 HydrophobicContact CE-CZ 3.95Å
443	E	82.8	Confident	89	Confident	77 Å²	77	45 Å²	45	36%	0.36	22%	0.219	S	C	.	.	S	Bend	trans	-88.1	124	177	-60.2	-174.4	-173.7	0	0	109.7	K403 V440 A445 G446	K403-E443 IonicContact NZ-OE1 3.86Å; K403-E443 PolarHBondContact NZ-OE1 2.75Å; K403-E443 IonicContact NZ-OE2 3.72Å; K403-E443 PolarHBondContact NZ-OE2 3.46Å; V440-E443 HydrophobicContact CB-CG 4.46Å; V440-E443 WeakPolarHBondContact O-CB 3.37Å; V440-E443 PolarHBondContact O-N 3.44Å; E443-A445 PolarHBondContact O-N 2.94Å; E443-G446 PolarHBondContact O-N 3.39Å
444	N	75.8	Confident	89	Confident	136 Å²	136	45 Å²	45	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-37.7	-175.9	-69.1	-5.4	0	0	0	114.9
445	A	80.6	Confident	89.1	Confident	9 Å²	9	47 Å²	47	7%	0.074	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	13.5	-179.8	0	0	0	0	0	112.7	W237 E443 Q448 K449	W237-A445 HydrophobicContact CE3-CB 4.21Å; W237-A445 HydrophobicContact CZ3-CB 4.32Å; E443-A445 PolarHBondContact O-N 2.94Å; A445-Q448 PolarHBondContact O-N 2.85Å; A445-K449 WeakPolarHBondContact O-CB 3.33Å; A445-K449 VanDerWaalsContact O-CG 3.3Å; A445-K449 WeakPolarHBondContact O-CG 3.3Å; A445-K449 PolarHBondContact O-N 2.87Å; A445-K449 VanDerWaalsContact O-N 3.14Å
446	G	85.8	Confident	89.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-47.6	-173.6	0	0	0	0	0	112.7	E443 Q448 K449 L450	E443-G446 PolarHBondContact O-N 3.39Å; G446-Q448 PolarHBondContact O-N 3.21Å; G446-K449 PolarHBondContact O-N 3.39Å; G446-L450 WeakPolarHBondContact O-CB 3.31Å; G446-L450 PolarHBondContact O-N 3.34Å
447	Y	89.2	Confident	89.3	Confident	62 Å²	62	43.8 Å²	43.8	24%	0.243	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-42.2	179.6	-176.5	-110.9	0	0	0	112.8	S437 K449 L450 L451 L559 E566 Y568	S437-Y447 WeakPolarHBondContact OG-CD2 3.38Å; Y447-K449 PolarHBondContact O-N 3.1Å; Y447-L450 WeakPolarHBondContact O-CB 3.47Å; Y447-L450 PolarHBondContact O-N 2.86Å; Y447-L451 HydrophobicContact CD1-CD1 4.08Å; Y447-L451 HydrophobicContact CD1-CG 4.47Å; Y447-L451 HydrophobicContact CE1-CD1 3.51Å; Y447-L451 HydrophobicContact CE1-CG 4.1Å; Y447-L451 HydrophobicContact CE2-CD2 4.25Å; Y447-L451 HydrophobicContact CE2-CG 4.35Å; Y447-L451 WeakPolarHBondContact O-CG 3.41Å; Y447-L451 PolarHBondContact O-N 3Å; Y447-L559 WeakPolarHBondContact OH-CD1 3.41Å; Y447-E566 HydrophobicContact CE2-CG 4.2Å; Y447-Y568 WeakPolarHBondContact CD2-OH 3.29Å
448	Q	88.5	Confident	89.2	Confident	122 Å²	122	45.8 Å²	45.8	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-62.4	-43.6	177.3	-70.3	-178.7	-21.1	0	0	111.9	A445 G446 L450 L451 Q452	A445-Q448 PolarHBondContact O-N 2.85Å; G446-Q448 PolarHBondContact O-N 3.21Å; Q448-L450 VanDerWaalsContact C-N 3.34Å; Q448-L451 PolarHBondContact O-N 3.14Å; Q448-Q452 WeakPolarHBondContact O-CG 3.47Å; Q448-Q452 PolarHBondContact O-N 3.29Å; Q448-Q452 VanDerWaalsContact O-N 3.11Å
449	K	90.4	Very high	89.1	Confident	21 Å²	21	45.5 Å²	45.5	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-38.3	176.5	-74.6	176.4	-177.5	-179.8	0	112.6	W237 G238 K403 A445 G446 Y447 Q452 M453	W237-K449 WeakPolarHBondContact O-CE 3.49Å; W237-K449 PolarHBondContact O-NZ 3.49Å; G238-K449 PolarHBondContact O-NZ 3.5Å; K403-K449 CarbonylContact O-C 3.57Å; A445-K449 WeakPolarHBondContact O-CB 3.33Å; A445-K449 VanDerWaalsContact O-CG 3.3Å; A445-K449 WeakPolarHBondContact O-CG 3.3Å; A445-K449 PolarHBondContact O-N 2.87Å; A445-K449 VanDerWaalsContact O-N 3.14Å; G446-K449 PolarHBondContact O-N 3.39Å; Y447-K449 PolarHBondContact O-N 3.1Å; K449-Q452 WeakPolarHBondContact O-CB 3.44Å; K449-Q452 PolarHBondContact O-N 3.37Å; K449-M453 PolarHBondContact O-N 3.31Å; K449-M453 VanDerWaalsContact O-N 3.14Å
450	L	94	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-48.9	173.4	172.6	61.8	0	0	0	111.1	M401 K403 I436 S437 V440 G446 Y447 Q448 Q452 M453 V454	M401-L450 HydrophobicContact CE-CD1 3.61Å; K403-L450 WeakPolarHBondContact O-CA 3.5Å; K403-L450 PolarHBondContact O-N 2.94Å; I436-L450 HydrophobicContact CB-CD1 3.99Å; I436-L450 HydrophobicContact CB-CD2 4.3Å; I436-L450 HydrophobicContact CD1-CD1 4.4Å; I436-L450 HydrophobicContact CG2-CD1 3.69Å; I436-L450 HydrophobicContact CG2-CD2 4.19Å; I436-L450 HydrophobicContact CG2-CG 4.46Å; S437-L450 VanDerWaalsContact CA-CD2 3.43Å; V440-L450 HydrophobicContact CG2-CD2 4.47Å; G446-L450 WeakPolarHBondContact O-CB 3.31Å; G446-L450 PolarHBondContact O-N 3.34Å; Y447-L450 WeakPolarHBondContact O-CB 3.47Å; Y447-L450 PolarHBondContact O-N 2.86Å; Q448-L450 VanDerWaalsContact C-N 3.34Å; L450-Q452 PolarHBondContact O-N 3.11Å; L450-M453 CarbonylContact O-C 3.58Å; L450-M453 WeakPolarHBondContact O-CA 3.48Å; L450-M453 WeakPolarHBondContact O-CB 3.48Å; L450-M453 PolarHBondContact O-N 2.98Å; L450-V454 HydrophobicContact CD1-CG2 4.17Å; L450-V454 HydrophobicContact CG-CG2 4.38Å; L450-V454 WeakPolarHBondContact O-CG2 3.42Å; L450-V454 PolarHBondContact O-N 3.29Å
451	L	92.8	Very high	88.8	Confident	33 Å²	33	44.9 Å²	44.9	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-34.9	178.9	-68.1	-177.2	0	0	0	112.3	Y447 Q448 V454 A455 L559 L560	Y447-L451 HydrophobicContact CD1-CD1 4.08Å; Y447-L451 HydrophobicContact CD1-CG 4.47Å; Y447-L451 HydrophobicContact CE1-CD1 3.51Å; Y447-L451 HydrophobicContact CE1-CG 4.1Å; Y447-L451 HydrophobicContact CE2-CD2 4.25Å; Y447-L451 HydrophobicContact CE2-CG 4.35Å; Y447-L451 WeakPolarHBondContact O-CG 3.41Å; Y447-L451 PolarHBondContact O-N 3Å; Q448-L451 PolarHBondContact O-N 3.14Å; L451-V454 PolarHBondContact O-N 3.31Å; L451-A455 WeakPolarHBondContact O-CB 3.49Å; L451-A455 PolarHBondContact O-N 2.95Å; L451-L559 HydrophobicContact CD2-CD2 4.26Å; L451-L559 HydrophobicContact CD2-CG 4.28Å; L451-L560 HydrophobicContact CB-CD2 4.11Å; L451-L560 HydrophobicContact CD2-CD2 4.14Å; L451-L560 VanDerWaalsContact O-CD2 3.29Å; L451-L560 WeakPolarHBondContact O-CD2 3.45Å
452	Q	93.1	Very high	88.7	Confident	87 Å²	87	47.8 Å²	47.8	41%	0.407	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-41.6	172.4	-69.7	168.8	-19.2	0	0	112	V405 Q448 K449 L450 A455 Y456 H471	V405-Q452 HydrophobicContact CG2-CB 4.34Å; Q448-Q452 WeakPolarHBondContact O-CG 3.47Å; Q448-Q452 PolarHBondContact O-N 3.29Å; Q448-Q452 VanDerWaalsContact O-N 3.11Å; K449-Q452 WeakPolarHBondContact O-CB 3.44Å; K449-Q452 PolarHBondContact O-N 3.37Å; L450-Q452 PolarHBondContact O-N 3.11Å; Q452-A455 PolarHBondContact O-N 3.14Å; Q452-Y456 PolarHBondContact O-N 3.33Å; Q452-H471 PolarHBondContact OE1-CE1 2.89Å; Q452-H471 VanDerWaalsContact OE1-CE1 3.27Å
453	M	95.4	Very high	89.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-38.7	175.3	-170.1	62.3	-161	0	0	112	M401 S402 V405 Y408 I426 K449 L450 Y456 C457	M401-M453 HydrophobicContact CB-CE 4.45Å; S402-M453 WeakPolarHBondContact O-CG 3.46Å; V405-M453 HydrophobicContact CG2-CB 4.49Å; V405-M453 HydrophobicContact CG2-SD 4.07Å; Y408-M453 HydrophobicContact CD1-CE 3.93Å; Y408-M453 HydrophobicContact CD1-SD 4.47Å; Y408-M453 HydrophobicContact CD2-CE 4.17Å; Y408-M453 HydrophobicContact CG-CE 3.68Å; Y408-M453 HydrophobicContact CG-SD 4.31Å; I426-M453 HydrophobicContact CD1-CE 3.52Å; K449-M453 PolarHBondContact O-N 3.31Å; K449-M453 VanDerWaalsContact O-N 3.14Å; L450-M453 CarbonylContact O-C 3.58Å; L450-M453 WeakPolarHBondContact O-CA 3.48Å; L450-M453 WeakPolarHBondContact O-CB 3.48Å; L450-M453 PolarHBondContact O-N 2.98Å; M453-Y456 HydrophobicContact CE-CD1 3.84Å; M453-Y456 HydrophobicContact CE-CE1 4.31Å; M453-Y456 WeakPolarHBondContact O-CB 3.34Å; M453-Y456 PolarHBondContact O-N 3.46Å; M453-Y456 HydrophobicContact SD-CD1 4.3Å; M453-C457 PolarHBondContact O-N 2.84Å; M453-C457 PolarHBondContact O-SG 2.87Å; M453-C457 VanDerWaalsContact O-SG 3.39Å
454	V	95.3	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-43.8	174.1	175.5	0	0	0	0	110.8	M401 F428 I433 L450 L451 Y456 C457 Q458 V556 L560	M401-V454 HydrophobicContact CE-CG2 3.7Å; M401-V454 HydrophobicContact SD-CG2 4.13Å; F428-V454 HydrophobicContact CE2-CG1 4.38Å; F428-V454 HydrophobicContact CZ-CG1 4.38Å; I433-V454 HydrophobicContact CB-CG2 4.5Å; I433-V454 HydrophobicContact CD1-CG1 4.01Å; I433-V454 HydrophobicContact CD1-CG2 4.29Å; I433-V454 HydrophobicContact CG1-CG2 3.95Å; I433-V454 HydrophobicContact CG2-CG2 3.99Å; L450-V454 HydrophobicContact CD1-CG2 4.17Å; L450-V454 HydrophobicContact CG-CG2 4.38Å; L450-V454 WeakPolarHBondContact O-CG2 3.42Å; L450-V454 PolarHBondContact O-N 3.29Å; L451-V454 PolarHBondContact O-N 3.31Å; V454-Y456 VanDerWaalsContact C-N 3.3Å; V454-Y456 PolarHBondContact O-N 3.49Å; V454-C457 PolarHBondContact O-N 3.14Å; V454-Q458 HydrophobicContact CG1-CG 4.35Å; V454-Q458 WeakPolarHBondContact O-CB 3.49Å; V454-Q458 WeakPolarHBondContact O-CG 3.47Å; V454-Q458 PolarHBondContact O-N 3.32Å; V454-V556 HydrophobicContact CG1-CG1 3.37Å; V454-L560 HydrophobicContact CB-CD2 4.15Å; V454-L560 HydrophobicContact CG1-CD1 4.22Å; V454-L560 HydrophobicContact CG1-CD2 4.02Å; V454-L560 HydrophobicContact CG1-CG 4.27Å
455	A	93.6	Very high	90.5	Very high	43 Å²	43	31.5 Å²	31.5	36%	0.355	16%	0.156	S	C	.	.	H	α-helix	trans	-61.5	-38.8	174.7	0	0	0	0	0	111.8	L451 Q452 Q458 N459 L560	L451-A455 WeakPolarHBondContact O-CB 3.49Å; L451-A455 PolarHBondContact O-N 2.95Å; Q452-A455 PolarHBondContact O-N 3.14Å; A455-Q458 PolarHBondContact O-N 3.42Å; A455-N459 WeakPolarHBondContact O-CB 3.33Å; A455-N459 PolarHBondContact O-N 3.09Å; A455-L560 HydrophobicContact CB-CD1 4.18Å; A455-L560 HydrophobicContact CB-CD2 4.12Å
456	Y	94.8	Very high	90.9	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-44.4	173.4	173	-86.4	0	0	0	111.8	V300 Y408 I426 Q452 M453 V454 R464 L467 M468	V300-Y456 HydrophobicContact CG2-CE1 3.97Å; Y408-Y456 HydrophobicContact CD1-CE1 4.29Å; Y408-Y456 AromaticContact CE1-CE1 3.84Å; Y408-Y456 HydrophobicContact CE1-CE1 3.84Å; Y408-Y456 AromaticContact CE1-CZ 3.85Å; I426-Y456 HydrophobicContact CD1-CD1 4.34Å; I426-Y456 HydrophobicContact CD1-CE1 3.77Å; Q452-Y456 PolarHBondContact O-N 3.33Å; M453-Y456 HydrophobicContact CE-CD1 3.84Å; M453-Y456 HydrophobicContact CE-CE1 4.31Å; M453-Y456 WeakPolarHBondContact O-CB 3.34Å; M453-Y456 PolarHBondContact O-N 3.46Å; M453-Y456 HydrophobicContact SD-CD1 4.3Å; V454-Y456 VanDerWaalsContact C-N 3.3Å; V454-Y456 PolarHBondContact O-N 3.49Å; Y456-R464 HydrophobicContact CE2-CB 4.17Å; Y456-R464 PolarHBondContact O-NH1 3.46Å; Y456-L467 HydrophobicContact CD2-CB 3.92Å; Y456-L467 HydrophobicContact CD2-CD1 3.97Å; Y456-L467 HydrophobicContact CE2-CB 4.36Å; Y456-L467 HydrophobicContact CE2-CD1 4.42Å; Y456-M468 HydrophobicContact CE2-CE 3.83Å; Y456-M468 HydrophobicContact CE2-CG 4.13Å; Y456-M468 WeakPolarHBondContact OH-CE 3.35Å
457	C	94	Very high	91.1	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.054	16%	0.162	C	C	.	.	H	α-helix	trans	-70.3	-40	179.2	-67.4	0	0	0	0	113.1	V300 F428 M453 V454 N459	V300-C457 HydrophobicContact CG1-CB 4.19Å; F428-C457 HydrophobicContact CB-CB 4.17Å; F428-C457 HydrophobicContact CD1-CB 4.48Å; F428-C457 HydrophobicContact CD2-CB 3.35Å; F428-C457 HydrophobicContact CE2-CB 3.77Å; F428-C457 HydrophobicContact CG-CB 3.75Å; F428-C457 HydrophobicContact CZ-CB 4.48Å; M453-C457 PolarHBondContact O-N 2.84Å; M453-C457 PolarHBondContact O-SG 2.87Å; M453-C457 VanDerWaalsContact O-SG 3.39Å; V454-C457 PolarHBondContact O-N 3.14Å; C457-N459 VanDerWaalsContact C-N 3.3Å; C457-N459 PolarHBondContact O-N 2.56Å
458	Q	90.1	Very high	91.2	Very high	43 Å²	43	29.9 Å²	29.9	20%	0.201	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-22.9	179.3	-83.4	-100	-35.4	0	0	113.7	F428 V454 A455 V460 V556 L560	F428-Q458 HydrophobicContact CE1-CG 4.48Å; F428-Q458 HydrophobicContact CZ-CG 4.24Å; V454-Q458 HydrophobicContact CG1-CG 4.35Å; V454-Q458 WeakPolarHBondContact O-CB 3.49Å; V454-Q458 WeakPolarHBondContact O-CG 3.47Å; V454-Q458 PolarHBondContact O-N 3.32Å; A455-Q458 PolarHBondContact O-N 3.42Å; Q458-V460 PolarHBondContact O-N 3.44Å; Q458-V556 VanDerWaalsContact CD-CG1 3.45Å; Q458-V556 HydrophobicContact CG-CB 4.46Å; Q458-V556 HydrophobicContact CG-CG1 3.57Å; Q458-V556 VanDerWaalsContact NE2-CB 3.34Å; Q458-L560 HydrophobicContact CB-CD1 4.34Å; Q458-L560 HydrophobicContact CG-CD1 4.23Å
459	N	89.3	Confident	91.2	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.139	12%	0.124	C	C	.	.			trans	-66.5	133.8	-176.9	-171.2	-84.6	0	0	0	111.4	A455 C457 D461 R462 R464 L467	A455-N459 WeakPolarHBondContact O-CB 3.33Å; A455-N459 PolarHBondContact O-N 3.09Å; C457-N459 VanDerWaalsContact C-N 3.3Å; C457-N459 PolarHBondContact O-N 2.56Å; N459-D461 VanDerWaalsContact CG-OD1 3.27Å; N459-D461 PolarHBondContact ND2-OD1 3.31Å; N459-D461 PolarHBondContact OD1-N 3.01Å; N459-D461 PolarHBondContact OD1-OD1 3.33Å; N459-R462 WeakPolarHBondContact OD1-CA 3.47Å; N459-R462 WeakPolarHBondContact OD1-CB 3.49Å; N459-R462 PolarHBondContact OD1-N 3.45Å; N459-R462 PolarHBondContact OD1-O 3.34Å; N459-R464 PolarHBondContact O-NH1 3.29Å; N459-R464 PolarHBondContact O-NH2 3.39Å; N459-L467 HydrophobicContact CB-CD1 3.62Å
460	V	85.7	Confident	91	Very high	26 Å²	26	27.3 Å²	27.3	16%	0.158	15%	0.145	C	C	.	.			trans	-127	-7.4	-178.6	-62.9	0	0	0	0	113.4	Q458 T487 Y494 N598	Q458-V460 PolarHBondContact O-N 3.44Å; V460-T487 VanDerWaalsContact O-CG2 3.25Å; V460-T487 WeakPolarHBondContact O-CG2 3.25Å; V460-Y494 HydrophobicContact CG2-CG 4.42Å; V460-N598 HydrophobicContact CG2-CB 3.81Å; V460-N598 WeakPolarHBondContact CG2-O 3.37Å
461	D	83.8	Confident	90.6	Very high	58 Å²	58	28.8 Å²	28.8	31%	0.31	15%	0.151	S	C	.	.	S	Bend	trans	-113.4	-23.9	-170.1	60.8	-20.1	0	0	0	113.4	N459 Y494 N598	N459-D461 VanDerWaalsContact CG-OD1 3.27Å; N459-D461 PolarHBondContact ND2-OD1 3.31Å; N459-D461 PolarHBondContact OD1-N 3.01Å; N459-D461 PolarHBondContact OD1-OD1 3.33Å; D461-Y494 HydrophobicContact CB-CD1 4.28Å; D461-Y494 HydrophobicContact CB-CD2 4.33Å; D461-Y494 HydrophobicContact CB-CE1 3.88Å; D461-Y494 HydrophobicContact CB-CE2 3.92Å; D461-N598 PolarHBondContact OD2-ND2 3.28Å
462	R	86.7	Confident	90.1	Very high	100 Å²	100	28.4 Å²	28.4	38%	0.377	15%	0.148	S	C	.	.	S	Bend	trans	-104.2	148.2	-179.2	-62.3	-177.5	62.6	-175.3	-3	111.7	N459 R464 S466 L467 T487	N459-R462 WeakPolarHBondContact OD1-CA 3.47Å; N459-R462 WeakPolarHBondContact OD1-CB 3.49Å; N459-R462 PolarHBondContact OD1-N 3.45Å; N459-R462 PolarHBondContact OD1-O 3.34Å; R462-R464 PolarHBondContact O-N 3.42Å; R462-S466 PolarHBondContact NH2-OG 3.38Å; R462-S466 VanDerWaalsContact NH2-OG 3.16Å; R462-L467 HydrophobicContact CB-CD2 4.01Å; R462-L467 HydrophobicContact CB-CG 4.26Å; R462-T487 WeakPolarHBondContact O-CB 3.43Å; R462-T487 VanDerWaalsContact O-CG2 3.28Å; R462-T487 WeakPolarHBondContact O-CG2 3.37Å; R462-T487 PolarHBondContact O-OG1 3.21Å
463	C	90.8	Very high	89.5	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.041	15%	0.153	C	C	.	.			trans	-57.7	129.9	171.8	171.5	0	0	0	0	110.7	R465 S466 L467 C481 C488	C463-R465 VanDerWaalsContact C-N 3.26Å; C463-R465 PolarHBondContact O-N 3.37Å; C463-R465 PolarHBondContact SG-N 3.42Å; C463-R465 VanDerWaalsContact SG-N 3.41Å; C463-S466 WeakPolarHBondContact O-CA 3.36Å; C463-S466 VanDerWaalsContact O-CB 3.31Å; C463-S466 WeakPolarHBondContact O-CB 3.44Å; C463-S466 PolarHBondContact O-N 3.43Å; C463-L467 PolarHBondContact O-N 3.07Å; C463-L467 VanDerWaalsContact O-N 3.16Å; C463-C481 PolarHBondContact SG-SG 3.19Å; C463-C488 VanDerWaalsContact SG-SG 3.69Å
464	R	93.2	Very high	88.9	Confident	10 Å²	10	31.1 Å²	31.1	4%	0.038	16%	0.164	C	C	.	.	H	α-helix	trans	-50.5	-41.6	175.6	-60.4	-59.2	-176.6	-164.7	-8	113.8	Y456 N459 R462 L467 M468 C485 D486	Y456-R464 HydrophobicContact CE2-CB 4.17Å; Y456-R464 PolarHBondContact O-NH1 3.46Å; N459-R464 PolarHBondContact O-NH1 3.29Å; N459-R464 PolarHBondContact O-NH2 3.39Å; R462-R464 PolarHBondContact O-N 3.42Å; R464-L467 PolarHBondContact O-N 2.86Å; R464-M468 PolarHBondContact O-N 2.98Å; R464-C485 HydrophobicContact CB-CB 3.88Å; R464-C485 HydrophobicContact CG-CB 3.74Å; R464-D486 WeakPolarHBondContact CG-OD1 3.27Å; R464-D486 IonicContact CZ-OD1 3.92Å; R464-D486 IonicContact CZ-OD2 3.73Å; R464-D486 IonicContact NE-OD1 3.62Å; R464-D486 PolarHBondContact NE-OD1 3.4Å; R464-D486 IonicContact NE-OD2 2.91Å; R464-D486 PolarHBondContact NE-OD2 3.38Å; R464-D486 IonicContact NH2-OD1 3.69Å; R464-D486 IonicContact NH2-OD2 3.86Å; R464-D486 PolarHBondContact NH2-OD2 3.41Å
465	R	92.8	Very high	88.1	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-34.5	175.9	-70.9	177.7	168.9	71.4	4.7	113.1	F291 N292 R293 L296 Y298 C463 L467 M468 A469 W476 M484	F291-R465 VanDerWaalsContact CZ-O 3.3Å; F291-R465 WeakPolarHBondContact CZ-O 3.35Å; N292-R465 WeakPolarHBondContact OD1-CD 3.49Å; N292-R465 PolarHBondContact OD1-NE 3.04Å; R293-R465 PolarHBondContact O-NH2 3.18Å; L296-R465 PolarHBondContact O-NH2 2.91Å; Y298-R465 HydrophobicContact CD2-CG 4.41Å; Y298-R465 HydrophobicContact CE2-CG 4.41Å; C463-R465 VanDerWaalsContact C-N 3.26Å; C463-R465 PolarHBondContact O-N 3.37Å; C463-R465 PolarHBondContact SG-N 3.42Å; C463-R465 VanDerWaalsContact SG-N 3.41Å; R465-L467 VanDerWaalsContact C-N 3.31Å; R465-M468 PolarHBondContact O-N 3.45Å; R465-A469 WeakPolarHBondContact O-CB 3.08Å; R465-A469 PolarHBondContact O-N 2.71Å; R465-W476 HydrophobicContact CB-CD2 4.5Å; R465-W476 HydrophobicContact CB-CZ2 4.04Å; R465-M484 VanDerWaalsContact NH1-CB 3.3Å; R465-M484 PolarHBondContact NH1-O 3.16Å
466	S	90.3	Very high	87.5	Confident	9 Å²	9	36 Å²	36	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-39.3	176.3	177.5	0	0	0	0	110.9	R462 C463 A469 V470 N478	R462-S466 PolarHBondContact NH2-OG 3.38Å; R462-S466 VanDerWaalsContact NH2-OG 3.16Å; C463-S466 WeakPolarHBondContact O-CA 3.36Å; C463-S466 VanDerWaalsContact O-CB 3.31Å; C463-S466 WeakPolarHBondContact O-CB 3.44Å; C463-S466 PolarHBondContact O-N 3.43Å; S466-A469 PolarHBondContact O-N 2.82Å; S466-V470 WeakPolarHBondContact O-CG2 3.38Å; S466-V470 PolarHBondContact O-N 3.4Å; S466-N478 VanDerWaalsContact CB-OD1 3.29Å; S466-N478 WeakPolarHBondContact CB-OD1 3.49Å
467	L	90.4	Very high	86.9	Confident	29 Å²	29	39.1 Å²	39.1	15%	0.152	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-44.6	175.7	-61.1	172.2	0	0	0	111.5	Y456 N459 R462 C463 R464 R465 H471	Y456-L467 HydrophobicContact CD2-CB 3.92Å; Y456-L467 HydrophobicContact CD2-CD1 3.97Å; Y456-L467 HydrophobicContact CE2-CB 4.36Å; Y456-L467 HydrophobicContact CE2-CD1 4.42Å; N459-L467 HydrophobicContact CB-CD1 3.62Å; R462-L467 HydrophobicContact CB-CD2 4.01Å; R462-L467 HydrophobicContact CB-CG 4.26Å; C463-L467 PolarHBondContact O-N 3.07Å; C463-L467 VanDerWaalsContact O-N 3.16Å; R464-L467 PolarHBondContact O-N 2.86Å; R465-L467 VanDerWaalsContact C-N 3.31Å; L467-H471 PolarHBondContact O-N 2.95Å
468	M	90.6	Very high	86.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-40.6	174.4	-67.4	176.9	177.7	0	0	112.3	F291 Y298 V405 Y408 Y409 Y456 R464 R465 V470 H471 F472	F291-M468 HydrophobicContact CD2-CB 4.27Å; F291-M468 HydrophobicContact CE2-CB 3.82Å; F291-M468 HydrophobicContact CZ-CB 4.32Å; Y298-M468 HydrophobicContact CD1-CE 3.99Å; Y298-M468 HydrophobicContact CE1-CE 3.77Å; Y298-M468 HydrophobicContact CE1-SD 4.43Å; Y298-M468 HydrophobicContact CE2-SD 4.43Å; Y298-M468 HydrophobicContact CG-CE 4.49Å; V405-M468 HydrophobicContact CG1-CG 4.49Å; Y408-M468 HydrophobicContact CD1-CE 3.71Å; Y408-M468 HydrophobicContact CE1-CE 3.36Å; Y409-M468 HydrophobicContact CD2-SD 4.43Å; Y456-M468 HydrophobicContact CE2-CE 3.83Å; Y456-M468 HydrophobicContact CE2-CG 4.13Å; Y456-M468 WeakPolarHBondContact OH-CE 3.35Å; R464-M468 PolarHBondContact O-N 2.98Å; R465-M468 PolarHBondContact O-N 3.45Å; M468-V470 PolarHBondContact O-N 3.31Å; M468-H471 WeakPolarHBondContact O-CB 3.41Å; M468-H471 PolarHBondContact O-N 2.87Å; M468-H471 VanDerWaalsContact O-N 3.14Å; M468-F472 VanDerWaalsContact O-CD2 3.23Å; M468-F472 WeakPolarHBondContact O-CD2 3.49Å; M468-F472 PolarHBondContact O-N 3.06Å
469	A	87.8	Confident	85.7	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-47	179.3	0	0	0	0	0	112.1	F291 R465 S466 H471 F472 D473 E474 W476	F291-A469 HydrophobicContact CD1-CB 4.44Å; F291-A469 HydrophobicContact CE1-CB 3.34Å; F291-A469 HydrophobicContact CZ-CB 3.57Å; R465-A469 WeakPolarHBondContact O-CB 3.08Å; R465-A469 PolarHBondContact O-N 2.71Å; S466-A469 PolarHBondContact O-N 2.82Å; A469-H471 PolarHBondContact O-N 2.84Å; A469-F472 CarbonylContact O-C 3.58Å; A469-F472 PolarHBondContact O-N 2.95Å; A469-F472 VanDerWaalsContact O-N 3.13Å; A469-D473 PolarHBondContact O-N 3.26Å; A469-D473 VanDerWaalsContact O-N 3.17Å; A469-E474 CarbonylContact C-O 3.56Å; A469-E474 HydrophobicContact CB-CB 4.38Å; A469-E474 WeakPolarHBondContact CB-O 3.35Å; A469-E474 PolarHBondContact O-N 2.93Å; A469-W476 HydrophobicContact CB-CB 3.31Å; A469-W476 HydrophobicContact CB-CG 3.99Å
470	V	86.9	Confident	85.5	Confident	88 Å²	88	54.3 Å²	54.3	53%	0.533	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-38.7	175.7	171.9	0	0	0	0	110.9	S466 M468 F472 D473	S466-V470 WeakPolarHBondContact O-CG2 3.38Å; S466-V470 PolarHBondContact O-N 3.4Å; M468-V470 PolarHBondContact O-N 3.31Å; V470-F472 VanDerWaalsContact C-N 3.34Å; V470-F472 PolarHBondContact O-N 3.28Å; V470-D473 PolarHBondContact O-N 3.42Å
471	H	85.9	Confident	85.6	Confident	30 Å²	30	53.2 Å²	53.2	14%	0.139	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-36.4	177.3	-170.7	83.7	0	0	0	113.1	T268 V405 E406 Q452 L467 M468 A469	T268-H471 WeakPolarHBondContact CG2-O 3.31Å; V405-H471 HydrophobicContact CG1-CB 4.24Å; E406-H471 IonicContact OE1-CD2 3.21Å; E406-H471 IonicContact OE1-CE1 2.98Å; E406-H471 PolarHBondContact OE1-CE1 2.98Å; E406-H471 IonicContact OE1-NE2 3.18Å; E406-H471 PolarHBondContact OE1-NE2 3.28Å; E406-H471 IonicContact OE2-NE2 2.74Å; Q452-H471 PolarHBondContact OE1-CE1 2.89Å; Q452-H471 VanDerWaalsContact OE1-CE1 3.27Å; L467-H471 PolarHBondContact O-N 2.95Å; M468-H471 WeakPolarHBondContact O-CB 3.41Å; M468-H471 PolarHBondContact O-N 2.87Å; M468-H471 VanDerWaalsContact O-N 3.14Å; A469-H471 PolarHBondContact O-N 2.84Å
472	F	82.4	Confident	85.9	Confident	26 Å²	26	56.3 Å²	56.3	11%	0.114	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	17.7	-179	-68.3	-65.2	0	0	0	114.3	T266 F291 E406 Y409 M468 A469 V470 E474	T266-F472 HydrophobicContact CG2-CE1 4.35Å; T266-F472 HydrophobicContact CG2-CZ 4.36Å; F291-F472 HydrophobicContact CB-CD2 4.37Å; F291-F472 HydrophobicContact CG-CD2 4.37Å; E406-F472 HydrophobicContact CG-CE1 4.13Å; E406-F472 HydrophobicContact CG-CZ 4.36Å; Y409-F472 HydrophobicContact CD1-CE2 4.17Å; Y409-F472 AromaticContact CD1-CZ 3.94Å; Y409-F472 HydrophobicContact CD1-CZ 3.94Å; Y409-F472 HydrophobicContact CD2-CE2 4.18Å; Y409-F472 AromaticContact CG-CE2 3.88Å; Y409-F472 HydrophobicContact CG-CE2 3.88Å; Y409-F472 AromaticContact CG-CZ 3.99Å; Y409-F472 HydrophobicContact CG-CZ 3.99Å; M468-F472 VanDerWaalsContact O-CD2 3.23Å; M468-F472 WeakPolarHBondContact O-CD2 3.49Å; M468-F472 PolarHBondContact O-N 3.06Å; A469-F472 CarbonylContact O-C 3.58Å; A469-F472 PolarHBondContact O-N 2.95Å; A469-F472 VanDerWaalsContact O-N 3.13Å; V470-F472 VanDerWaalsContact C-N 3.34Å; V470-F472 PolarHBondContact O-N 3.28Å; F472-E474 PolarHBondContact O-N 3.43Å
473	D	80.9	Confident	86.1	Confident	96 Å²	96	55.4 Å²	55.4	51%	0.513	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	27.5	-177.4	-53.7	-46.5	0	0	0	114	S269 A469 V470	S269-D473 WeakPolarHBondContact CB-OD2 3.4Å; S269-D473 PolarHBondContact N-OD2 3.35Å; S269-D473 PolarHBondContact OG-OD2 2.98Å; S269-D473 VanDerWaalsContact OG-OD2 3.07Å; A469-D473 PolarHBondContact O-N 3.26Å; A469-D473 VanDerWaalsContact O-N 3.17Å; V470-D473 PolarHBondContact O-N 3.42Å
474	E	81.1	Confident	86.3	Confident	47 Å²	47	57 Å²	57	22%	0.22	29%	0.286	C	S	.	.			trans	-98.6	136	179	-171	171.4	151.3	0	0	111.4	S290 F291 A469 F472 W476	S290-E474 VanDerWaalsContact CA-OE2 3.26Å; S290-E474 WeakPolarHBondContact CA-OE2 3.45Å; S290-E474 VanDerWaalsContact CB-OE1 3.3Å; S290-E474 WeakPolarHBondContact CB-OE1 3.43Å; S290-E474 PolarHBondContact OG-OE1 3.5Å; S290-E474 PolarHBondContact OG-OE2 3.24Å; F291-E474 HydrophobicContact CD1-CB 3.98Å; F291-E474 HydrophobicContact CD1-CG 4.25Å; F291-E474 WeakPolarHBondContact CD1-OE2 3.33Å; F291-E474 HydrophobicContact CE1-CB 4Å; F291-E474 HydrophobicContact CE1-CG 4.17Å; F291-E474 PolarHBondContact N-OE2 2.94Å; A469-E474 CarbonylContact C-O 3.56Å; A469-E474 HydrophobicContact CB-CB 4.38Å; A469-E474 WeakPolarHBondContact CB-O 3.35Å; A469-E474 PolarHBondContact O-N 2.93Å; F472-E474 PolarHBondContact O-N 3.43Å; E474-W476 PolarHBondContact O-N 3.13Å
475	V	78.8	Confident	86.3	Confident	114 Å²	114	56.6 Å²	56.6	69%	0.691	28%	0.284	S	S	*	.			trans	-76.5	121.2	172.8	-177.8	0	0	0	0	109
476	W	82.6	Confident	86.3	Confident	31 Å²	31	57 Å²	57	12%	0.117	29%	0.287	C	S	.	.			trans	-126.6	129.8	-175.6	-177.7	-92.6	0	0	0	113.1	F291 N292 R465 A469 E474 R480	F291-W476 HydrophobicContact CE1-CE3 4.36Å; F291-W476 HydrophobicContact CZ-CD2 4.47Å; F291-W476 HydrophobicContact CZ-CE3 4.15Å; N292-W476 HydrophobicContact CB-CH2 4.01Å; N292-W476 HydrophobicContact CB-CZ3 3.64Å; N292-W476 VanDerWaalsContact CG-CH2 3.45Å; N292-W476 WeakPolarHBondContact ND2-CH2 3.39Å; R465-W476 HydrophobicContact CB-CD2 4.5Å; R465-W476 HydrophobicContact CB-CZ2 4.04Å; A469-W476 HydrophobicContact CB-CB 3.31Å; A469-W476 HydrophobicContact CB-CG 3.99Å; E474-W476 PolarHBondContact O-N 3.13Å; W476-R480 HydrophobicContact CH2-CB 3.68Å; W476-R480 HydrophobicContact CZ2-CB 3.63Å; W476-R480 HydrophobicContact CZ3-CB 4.44Å
477	D	81.3	Confident	86.3	Confident	72 Å²	72	57.3 Å²	57.3	39%	0.385	29%	0.288	S	S	.	.			trans	-92.3	123.6	170.6	176	8.8	0	0	0	110.4	E479 R480	D477-E479 PolarHBondContact O-N 3.17Å; D477-E479 PolarHBondContact OD1-N 3.23Å; D477-R480 HydrophobicContact CB-CG 4.12Å; D477-R480 WeakPolarHBondContact O-CB 3.46Å; D477-R480 PolarHBondContact O-N 3.43Å; D477-R480 VanDerWaalsContact O-N 3.14Å
478	N	78.7	Confident	86.3	Confident	88 Å²	88	56.5 Å²	56.5	47%	0.471	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.7	-178	-73.2	-34.1	0	0	0	113.2	S466 R480 C481	S466-N478 VanDerWaalsContact CB-OD1 3.29Å; S466-N478 WeakPolarHBondContact CB-OD1 3.49Å; N478-R480 VanDerWaalsContact C-N 3.26Å; N478-R480 PolarHBondContact O-N 3.47Å; N478-C481 WeakPolarHBondContact O-CB 3.39Å; N478-C481 PolarHBondContact O-N 3.46Å
479	E	80.3	Confident	86.2	Confident	156 Å²	156	61.9 Å²	61.9	73%	0.729	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-66.2	-31.3	179.8	-61.2	-166	164	0	0	112.1	D477 C481 N482	D477-E479 PolarHBondContact O-N 3.17Å; D477-E479 PolarHBondContact OD1-N 3.23Å; E479-C481 PolarHBondContact O-N 3.45Å; E479-N482 PolarHBondContact O-N 2.88Å; E479-N482 PolarHBondContact O-OD1 3.2Å
480	R	85.8	Confident	85.6	Confident	153 Å²	153	64.6 Å²	64.6	58%	0.577	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-66.5	-7.9	179.2	-60.8	-178.3	-178	179	-0.3	114.4	W476 D477 N478 N482	W476-R480 HydrophobicContact CH2-CB 3.68Å; W476-R480 HydrophobicContact CZ2-CB 3.63Å; W476-R480 HydrophobicContact CZ3-CB 4.44Å; D477-R480 HydrophobicContact CB-CG 4.12Å; D477-R480 WeakPolarHBondContact O-CB 3.46Å; D477-R480 PolarHBondContact O-N 3.43Å; D477-R480 VanDerWaalsContact O-N 3.14Å; N478-R480 VanDerWaalsContact C-N 3.26Å; N478-R480 PolarHBondContact O-N 3.47Å; R480-N482 VanDerWaalsContact C-N 3.32Å
481	C	87.9	Confident	84.4	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.014	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-70.8	-27.6	176.5	-171.1	0	0	0	0	112.5	C463 N478 E479 Q483 M484 C485 C488	C463-C481 PolarHBondContact SG-SG 3.19Å; N478-C481 WeakPolarHBondContact O-CB 3.39Å; N478-C481 PolarHBondContact O-N 3.46Å; E479-C481 PolarHBondContact O-N 3.45Å; C481-Q483 VanDerWaalsContact C-N 3.27Å; C481-Q483 PolarHBondContact O-N 2.89Å; C481-M484 VanDerWaalsContact O-CB 3.25Å; C481-M484 WeakPolarHBondContact O-CB 3.37Å; C481-M484 WeakPolarHBondContact O-CG 3.48Å; C481-M484 PolarHBondContact O-N 3.02Å; C481-C485 VanDerWaalsContact SG-SG 3.63Å; C481-C488 VanDerWaalsContact SG-SG 3.68Å
482	N	89.8	Confident	83.1	Confident	123 Å²	123	75.8 Å²	75.8	66%	0.658	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	42.4	177.6	-62.1	-33.9	0	0	0	114.3	E479 R480 M484	E479-N482 PolarHBondContact O-N 2.88Å; E479-N482 PolarHBondContact O-OD1 3.2Å; R480-N482 VanDerWaalsContact C-N 3.32Å; N482-M484 PolarHBondContact O-N 3.03Å
483	Q	90.5	Very high	82.2	Confident	82 Å²	82	75.3 Å²	75.3	38%	0.383	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	25.6	178.5	-57	-64.9	-11.4	0	0	114.7	C481 C485 C488 R489	C481-Q483 VanDerWaalsContact C-N 3.27Å; C481-Q483 PolarHBondContact O-N 2.89Å; Q483-C485 VanDerWaalsContact C-N 3.35Å; Q483-C485 PolarHBondContact O-N 2.8Å; Q483-C488 PolarHBondContact NE2-O 3.44Å; Q483-C488 PolarHBondContact OE1-O 3.31Å; Q483-R489 HydrophobicContact CB-CG 4.21Å; Q483-R489 WeakPolarHBondContact O-CG 3.35Å; Q483-R489 PolarHBondContact O-NE 2.86Å
484	M	94	Very high	81.9	Confident	40 Å²	40	75.5 Å²	75.5	20%	0.197	36%	0.355	C	S	.	.			trans	-94.1	25	179.1	-66.1	-64.7	-71.4	0	0	113.8	T294 F297 Y298 R465 C481 N482	T294-M484 WeakPolarHBondContact O-CE 3.41Å; F297-M484 WeakPolarHBondContact CA-O 3.17Å; F297-M484 HydrophobicContact CB-CE 4.3Å; F297-M484 VanDerWaalsContact CD2-C 3.44Å; Y298-M484 PolarHBondContact N-O 2.55Å; R465-M484 VanDerWaalsContact NH1-CB 3.3Å; R465-M484 PolarHBondContact NH1-O 3.16Å; C481-M484 VanDerWaalsContact O-CB 3.25Å; C481-M484 WeakPolarHBondContact O-CB 3.37Å; C481-M484 WeakPolarHBondContact O-CG 3.48Å; C481-M484 PolarHBondContact O-N 3.02Å; N482-M484 PolarHBondContact O-N 3.03Å
485	C	94.3	Very high	81.8	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-146.9	159.7	164.3	68.4	0	0	0	0	111.4	Y298 R464 C481 Q483 T487 C488 R489	Y298-C485 CarbonylContact O-C 3.5Å; Y298-C485 WeakPolarHBondContact O-CA 3.31Å; Y298-C485 WeakPolarHBondContact O-CB 3.21Å; R464-C485 HydrophobicContact CB-CB 3.88Å; R464-C485 HydrophobicContact CG-CB 3.74Å; C481-C485 VanDerWaalsContact SG-SG 3.63Å; Q483-C485 VanDerWaalsContact C-N 3.35Å; Q483-C485 PolarHBondContact O-N 2.8Å; C485-T487 PolarHBondContact O-N 3.16Å; C485-C488 PolarHBondContact O-N 2.95Å; C485-C488 VanDerWaalsContact SG-CB 3.6Å; C485-C488 PolarHBondContact SG-N 2.93Å; C485-C488 PolarHBondContact SG-SG 3.43Å; C485-R489 WeakPolarHBondContact O-CG 3.33Å; C485-R489 PolarHBondContact O-N 2.91Å; C485-R489 VanDerWaalsContact O-N 3.11Å
486	D	92.9	Very high	82	Confident	10 Å²	10	74.9 Å²	74.9	5%	0.053	36%	0.359	C	S	.	.	H	α-helix	trans	-50	-50.4	175.9	58.8	-14.1	0	0	0	113.4	Y298 E299 V300 R464 C488 R489 H490	Y298-D486 PolarHBondContact O-N 3.03Å; E299-D486 HydrophobicContact CB-CB 4.35Å; E299-D486 HydrophobicContact CG-CB 4.14Å; V300-D486 PolarHBondContact N-OD2 2.88Å; R464-D486 WeakPolarHBondContact CG-OD1 3.27Å; R464-D486 IonicContact CZ-OD1 3.92Å; R464-D486 IonicContact CZ-OD2 3.73Å; R464-D486 IonicContact NE-OD1 3.62Å; R464-D486 PolarHBondContact NE-OD1 3.4Å; R464-D486 IonicContact NE-OD2 2.91Å; R464-D486 PolarHBondContact NE-OD2 3.38Å; R464-D486 IonicContact NH2-OD1 3.69Å; R464-D486 IonicContact NH2-OD2 3.86Å; R464-D486 PolarHBondContact NH2-OD2 3.41Å; D486-C488 PolarHBondContact O-N 3.36Å; D486-R489 PolarHBondContact O-N 3.38Å; D486-H490 PolarHBondContact O-N 3.46Å; D486-H490 VanDerWaalsContact O-N 3.1Å; D486-H490 PolarHBondContact O-ND1 2.96Å
487	T	90	Very high	82.1	Confident	15 Å²	15	76.1 Å²	76.1	9%	0.092	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-40.4	-177.2	-48.8	0	0	0	0	112.4	V460 R462 C485 R489 H490 K491	V460-T487 VanDerWaalsContact O-CG2 3.25Å; V460-T487 WeakPolarHBondContact O-CG2 3.25Å; R462-T487 WeakPolarHBondContact O-CB 3.43Å; R462-T487 VanDerWaalsContact O-CG2 3.28Å; R462-T487 WeakPolarHBondContact O-CG2 3.37Å; R462-T487 PolarHBondContact O-OG1 3.21Å; C485-T487 PolarHBondContact O-N 3.16Å; T487-R489 VanDerWaalsContact C-N 3.31Å; T487-R489 PolarHBondContact O-N 3.01Å; T487-H490 CarbonylContact O-C 3.48Å; T487-H490 PolarHBondContact O-N 2.94Å; T487-K491 PolarHBondContact O-N 3.06Å
488	C	89.1	Confident	82.4	Confident	12 Å²	12	76.7 Å²	76.7	8%	0.081	37%	0.369	C	S	.	.	H	α-helix	trans	-65.5	-37.5	177.3	-74.8	0	0	0	0	111.5	C463 C481 Q483 C485 D486 H490 K491	C463-C488 VanDerWaalsContact SG-SG 3.69Å; C481-C488 VanDerWaalsContact SG-SG 3.68Å; Q483-C488 PolarHBondContact NE2-O 3.44Å; Q483-C488 PolarHBondContact OE1-O 3.31Å; C485-C488 PolarHBondContact O-N 2.95Å; C485-C488 VanDerWaalsContact SG-CB 3.6Å; C485-C488 PolarHBondContact SG-N 2.93Å; C485-C488 PolarHBondContact SG-SG 3.43Å; D486-C488 PolarHBondContact O-N 3.36Å; C488-H490 VanDerWaalsContact C-N 3.28Å; C488-H490 PolarHBondContact O-N 2.81Å; C488-K491 WeakPolarHBondContact O-CG 3.47Å
489	R	88.3	Confident	82.9	Confident	113 Å²	113	72.5 Å²	72.5	43%	0.426	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-31.7	177.5	-74.8	-173.9	-178.9	177.5	2.8	112.2	F297 Q483 C485 D486 T487	F297-R489 HydrophobicContact CE2-CG 4.46Å; F297-R489 VanDerWaalsContact CE2-NE 3.3Å; Q483-R489 HydrophobicContact CB-CG 4.21Å; Q483-R489 WeakPolarHBondContact O-CG 3.35Å; Q483-R489 PolarHBondContact O-NE 2.86Å; C485-R489 WeakPolarHBondContact O-CG 3.33Å; C485-R489 PolarHBondContact O-N 2.91Å; C485-R489 VanDerWaalsContact O-N 3.11Å; D486-R489 PolarHBondContact O-N 3.38Å; T487-R489 VanDerWaalsContact C-N 3.31Å; T487-R489 PolarHBondContact O-N 3.01Å
490	H	76.5	Confident	83.3	Confident	59 Å²	59	65.5 Å²	65.5	27%	0.273	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	44.2	-176.4	-57.7	103.1	0	0	0	113.5	D486 T487 C488 K492 G493 W600	D486-H490 PolarHBondContact O-N 3.46Å; D486-H490 VanDerWaalsContact O-N 3.1Å; D486-H490 PolarHBondContact O-ND1 2.96Å; T487-H490 CarbonylContact O-C 3.48Å; T487-H490 PolarHBondContact O-N 2.94Å; C488-H490 VanDerWaalsContact C-N 3.28Å; C488-H490 PolarHBondContact O-N 2.81Å; H490-K492 PolarHBondContact O-N 3.47Å; H490-G493 PolarHBondContact O-N 3.42Å; H490-W600 HydrophobicContact CB-CH2 3.49Å; H490-W600 VanDerWaalsContact CB-CH2 3.49Å; H490-W600 HydrophobicContact CB-CZ2 3.62Å; H490-W600 AromaticContact CD2-CH2 3.78Å; H490-W600 AromaticContact CG-CH2 3.59Å; H490-W600 AromaticContact CG-CZ2 3.95Å
491	K	61.8	Low	83.4	Confident	145 Å²	145	64.9 Å²	64.9	63%	0.63	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-1.3	-175.6	-95.5	177.8	-177.1	-169.2	0	117.4	T487 C488	T487-K491 PolarHBondContact O-N 3.06Å; C488-K491 WeakPolarHBondContact O-CG 3.47Å
492	K	58.1	Low	83.5	Confident	207 Å²	207	66.4 Å²	66.4	90%	0.9	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	14.8	-175.6	-64.7	-171.6	177.3	-176.6	0	115.3	H490	H490-K492 PolarHBondContact O-N 3.47Å
493	G	63.4	Low	83.5	Confident	17 Å²	17	60.5 Å²	60.5	18%	0.175	29%	0.294	C	S	.	.			trans	-99.1	5	-169.3	0	0	0	0	0	117.5	H490 P601	H490-G493 PolarHBondContact O-N 3.42Å; G493-P601 WeakPolarHBondContact O-CD 3.44Å
494	Y	74.7	Confident	83.4	Confident	99 Å²	99	60.5 Å²	60.5	39%	0.388	29%	0.29	S	S	.	.			trans	-116.2	147.7	-175.8	68.6	-90.8	0	0	0	112.9	V460 D461 N598 M599	V460-Y494 HydrophobicContact CG2-CG 4.42Å; D461-Y494 HydrophobicContact CB-CD1 4.28Å; D461-Y494 HydrophobicContact CB-CD2 4.33Å; D461-Y494 HydrophobicContact CB-CE1 3.88Å; D461-Y494 HydrophobicContact CB-CE2 3.92Å; Y494-N598 HydrophobicContact CD2-CB 4.05Å; Y494-M599 CarbonylContact C-O 3.36Å; Y494-M599 WeakPolarHBondContact CA-O 3.4Å
495	T	78.1	Confident	83.2	Confident	73 Å²	73	59.8 Å²	59.8	45%	0.448	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.8	175.1	51.1	0	0	0	0	109.7	M599	T495-M599 PolarHBondContact N-O 3.49Å; T495-M599 PolarHBondContact O-N 3.35Å; T495-M599 PolarHBondContact OG1-O 2.91Å
496	S	83.4	Confident	83	Confident	76 Å²	76	59.8 Å²	59.8	53%	0.531	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.3	170.3	-160.7	0	0	0	0	108.7	I597 N598	S496-I597 WeakPolarHBondContact CA-O 3.39Å; S496-N598 WeakPolarHBondContact CB-OD1 3.42Å; S496-N598 PolarHBondContact OG-OD1 2.94Å; S496-N598 VanDerWaalsContact OG-OD1 3.06Å
497	M	85.1	Confident	82.9	Confident	57 Å²	57	59.7 Å²	59.7	28%	0.281	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.3	-179.8	-175.3	174.7	178.5	0	0	109.7	I499 H502 L546 K596 I597 M599	M497-I499 HydrophobicContact CB-CG2 4.47Å; M497-I499 HydrophobicContact CG-CG2 4.12Å; M497-I499 PolarHBondContact O-N 3.38Å; M497-I499 HydrophobicContact SD-CG2 4.4Å; M497-H502 VanDerWaalsContact CE-NE2 3.32Å; M497-H502 WeakPolarHBondContact CE-NE2 3.28Å; M497-L546 HydrophobicContact CE-CD2 4.2Å; M497-K596 WeakPolarHBondContact O-CA 3.34Å; M497-I597 PolarHBondContact N-O 2.93Å; M497-I597 PolarHBondContact O-N 3.37Å; M497-M599 HydrophobicContact CB-CE 3.95Å; M497-M599 HydrophobicContact CG-CE 4.23Å; M497-M599 HydrophobicContact SD-CE 3.44Å; M497-M599 WeakPolarHBondContact SD-CE 3.24Å
498	D	87.8	Confident	82.8	Confident	83 Å²	83	63.9 Å²	63.9	44%	0.444	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.7	166.5	-169.1	-27.5	0	0	0	108.8	T500	D498-T500 WeakPolarHBondContact OD1-CB 3.32Å; D498-T500 PolarHBondContact OD1-N 3.2Å; D498-T500 PolarHBondContact OD1-OG1 3.2Å
499	I	88.9	Confident	82.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.304	C	S	.	.			trans	-110.9	15.6	-179.4	60.9	153.5	0	0	0	112	M497 Q501 H502 A503 V554 V595 I597 M599	M497-I499 HydrophobicContact CB-CG2 4.47Å; M497-I499 HydrophobicContact CG-CG2 4.12Å; M497-I499 PolarHBondContact O-N 3.38Å; M497-I499 HydrophobicContact SD-CG2 4.4Å; I499-Q501 VanDerWaalsContact C-N 3.31Å; I499-Q501 PolarHBondContact O-N 3.21Å; I499-H502 HydrophobicContact CB-CB 4.28Å; I499-H502 CarbonylContact O-C 3.53Å; I499-H502 WeakPolarHBondContact O-CB 3.37Å; I499-H502 PolarHBondContact O-N 3.18Å; I499-H502 VanDerWaalsContact O-N 3.12Å; I499-A503 WeakPolarHBondContact O-CB 3.38Å; I499-A503 PolarHBondContact O-N 3.46Å; I499-V554 HydrophobicContact CD1-CG1 4.11Å; I499-V554 HydrophobicContact CG2-CG2 4.08Å; I499-V595 HydrophobicContact CD1-CG1 3.81Å; I499-V595 HydrophobicContact CG1-CB 4.15Å; I499-V595 HydrophobicContact CG1-CG1 3.77Å; I499-V595 WeakPolarHBondContact CG1-O 3.46Å; I499-V595 PolarHBondContact N-O 3.36Å; I499-I597 HydrophobicContact CB-CG1 4.47Å; I499-I597 HydrophobicContact CD1-CB 4.4Å; I499-I597 HydrophobicContact CD1-CD1 4.02Å; I499-I597 HydrophobicContact CD1-CG1 4.08Å; I499-I597 HydrophobicContact CD1-CG2 3.47Å; I499-I597 VanDerWaalsContact CD1-CG2 3.47Å; I499-I597 HydrophobicContact CG1-CD1 4.5Å; I499-I597 HydrophobicContact CG1-CG1 4.14Å; I499-I597 HydrophobicContact CG1-CG2 3.99Å; I499-I597 HydrophobicContact CG2-CD1 3.74Å; I499-I597 HydrophobicContact CG2-CG1 3.57Å; I499-M599 HydrophobicContact CG2-CE 4.42Å
500	T	88.3	Confident	82.8	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-44.7	-176.9	-52.7	0	0	0	0	111.8	D498 A503 R504 H593 T594 V595	D498-T500 WeakPolarHBondContact OD1-CB 3.32Å; D498-T500 PolarHBondContact OD1-N 3.2Å; D498-T500 PolarHBondContact OD1-OG1 3.2Å; T500-A503 PolarHBondContact O-N 3.25Å; T500-R504 WeakPolarHBondContact O-CG 3.48Å; T500-R504 PolarHBondContact O-N 3.45Å; T500-H593 WeakPolarHBondContact CG2-O 3.32Å; T500-T594 WeakPolarHBondContact OG1-CA 3.34Å; T500-V595 PolarHBondContact N-O 3.11Å; T500-V595 PolarHBondContact OG1-N 2.92Å
501	Q	88.2	Confident	83.4	Confident	141 Å²	141	58.5 Å²	58.5	66%	0.659	29%	0.287	S	S	*	.	H	α-helix	trans	-66.4	-42.1	177	-69.2	-172.1	-6.7	0	0	111.9	I499 A503 R504 Q505	I499-Q501 VanDerWaalsContact C-N 3.31Å; I499-Q501 PolarHBondContact O-N 3.21Å; Q501-A503 VanDerWaalsContact C-N 3.32Å; Q501-A503 PolarHBondContact O-N 2.93Å; Q501-R504 PolarHBondContact O-N 2.96Å; Q501-Q505 WeakPolarHBondContact O-CG 3.48Å; Q501-Q505 PolarHBondContact O-N 3.23Å
502	H	90.1	Very high	84.6	Confident	33 Å²	33	53.5 Å²	53.5	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-39.9	175.7	-64	-46.1	0	0	0	112	M497 I499 Q505 V506 W529 V554	M497-H502 VanDerWaalsContact CE-NE2 3.32Å; M497-H502 WeakPolarHBondContact CE-NE2 3.28Å; I499-H502 HydrophobicContact CB-CB 4.28Å; I499-H502 CarbonylContact O-C 3.53Å; I499-H502 WeakPolarHBondContact O-CB 3.37Å; I499-H502 PolarHBondContact O-N 3.18Å; I499-H502 VanDerWaalsContact O-N 3.12Å; H502-Q505 WeakPolarHBondContact O-CB 3.34Å; H502-Q505 PolarHBondContact O-N 2.99Å; H502-V506 WeakPolarHBondContact O-CG2 3.3Å; H502-V506 PolarHBondContact O-N 3.01Å; H502-W529 HydrophobicContact CB-CH2 3.86Å; H502-W529 HydrophobicContact CB-CZ2 3.65Å; H502-W529 AromaticContact CG-CZ2 3.92Å; H502-W529 AromaticContact ND1-CZ2 3.72Å; H502-V554 HydrophobicContact CB-CG1 4.29Å
503	A	89.3	Confident	86	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-46.7	175.5	0	0	0	0	0	111.6	I499 T500 Q501 Q505 V506 V507 L558 L588	I499-A503 WeakPolarHBondContact O-CB 3.38Å; I499-A503 PolarHBondContact O-N 3.46Å; T500-A503 PolarHBondContact O-N 3.25Å; Q501-A503 VanDerWaalsContact C-N 3.32Å; Q501-A503 PolarHBondContact O-N 2.93Å; A503-Q505 PolarHBondContact O-N 3.33Å; A503-V506 PolarHBondContact O-N 3.19Å; A503-V507 WeakPolarHBondContact O-CB 3.22Å; A503-V507 WeakPolarHBondContact O-CG2 3.28Å; A503-V507 PolarHBondContact O-N 2.9Å; A503-L558 HydrophobicContact CB-CD1 4.33Å; A503-L558 HydrophobicContact CB-CD2 3.58Å; A503-L588 HydrophobicContact CB-CD1 3.96Å; A503-L588 HydrophobicContact CB-CD2 3.86Å
504	R	90	Very high	87.1	Confident	81 Å²	81	47.5 Å²	47.5	31%	0.306	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-45.6	174.6	-73.2	177.6	-179	156	7.9	111.3	T500 Q501 V507 L508 L588 K590	T500-R504 WeakPolarHBondContact O-CG 3.48Å; T500-R504 PolarHBondContact O-N 3.45Å; Q501-R504 PolarHBondContact O-N 2.96Å; R504-V507 PolarHBondContact O-N 3.48Å; R504-L508 WeakPolarHBondContact O-CB 3.4Å; R504-L508 WeakPolarHBondContact O-CG 3.38Å; R504-L508 PolarHBondContact O-N 3.31Å; R504-L588 HydrophobicContact CG-CB 4.26Å; R504-L588 PolarHBondContact NE-O 3.47Å; R504-K590 PolarHBondContact NH2-O 3.28Å
505	Q	89.1	Confident	87.7	Confident	25 Å²	25	47.3 Å²	47.3	12%	0.117	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-52.1	176	-72.5	169.3	-11.6	0	0	111.3	Q501 H502 A503 V507 L508 I509 Q542	Q501-Q505 WeakPolarHBondContact O-CG 3.48Å; Q501-Q505 PolarHBondContact O-N 3.23Å; H502-Q505 WeakPolarHBondContact O-CB 3.34Å; H502-Q505 PolarHBondContact O-N 2.99Å; A503-Q505 PolarHBondContact O-N 3.33Å; Q505-V507 VanDerWaalsContact C-N 3.34Å; Q505-V507 PolarHBondContact O-N 2.95Å; Q505-L508 WeakPolarHBondContact O-CB 3.48Å; Q505-L508 PolarHBondContact O-N 3.04Å; Q505-I509 WeakPolarHBondContact O-CG1 3.48Å; Q505-I509 PolarHBondContact O-N 2.78Å; Q505-I509 VanDerWaalsContact O-N 3.13Å; Q505-Q542 VanDerWaalsContact NE2-CD 3.33Å
506	V	90.3	Very high	88.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-42.9	-179.3	172.8	0	0	0	0	111.9	H502 A503 I509 V510 L525 W529 I555 L558 L564	H502-V506 WeakPolarHBondContact O-CG2 3.3Å; H502-V506 PolarHBondContact O-N 3.01Å; A503-V506 PolarHBondContact O-N 3.19Å; V506-I509 PolarHBondContact O-N 3.49Å; V506-V510 PolarHBondContact O-N 3.36Å; V506-L525 HydrophobicContact CG1-CD1 4.41Å; V506-L525 HydrophobicContact CG1-CD2 3.93Å; V506-L525 HydrophobicContact CG1-CG 4.44Å; V506-W529 HydrophobicContact CG2-CD2 3.73Å; V506-W529 HydrophobicContact CG2-CE3 3.71Å; V506-W529 HydrophobicContact CG2-CG 4.39Å; V506-W529 HydrophobicContact CG2-CH2 4Å; V506-W529 HydrophobicContact CG2-CZ2 4Å; V506-W529 HydrophobicContact CG2-CZ3 3.84Å; V506-I555 HydrophobicContact CG1-CG1 4.38Å; V506-I555 HydrophobicContact CG2-CG1 4.48Å; V506-L558 HydrophobicContact CB-CD1 3.91Å; V506-L558 HydrophobicContact CG1-CD1 3.86Å; V506-L558 HydrophobicContact CG2-CD1 4.34Å; V506-L564 HydrophobicContact CG1-CD1 4.13Å
507	V	89.9	Confident	88.2	Confident	8 Å²	8	51.5 Å²	51.5	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-43.3	176.7	163.5	0	0	0	0	111.5	A503 R504 Q505 I509 V510 E511 L581 A585 L588	A503-V507 WeakPolarHBondContact O-CB 3.22Å; A503-V507 WeakPolarHBondContact O-CG2 3.28Å; A503-V507 PolarHBondContact O-N 2.9Å; R504-V507 PolarHBondContact O-N 3.48Å; Q505-V507 VanDerWaalsContact C-N 3.34Å; Q505-V507 PolarHBondContact O-N 2.95Å; V507-I509 VanDerWaalsContact C-N 3.28Å; V507-I509 PolarHBondContact O-N 2.86Å; V507-V510 PolarHBondContact O-N 3.31Å; V507-V510 VanDerWaalsContact O-N 3.15Å; V507-E511 WeakPolarHBondContact O-CB 3.42Å; V507-E511 PolarHBondContact O-N 2.84Å; V507-L581 HydrophobicContact CB-CD2 4.31Å; V507-L581 HydrophobicContact CG1-CD2 3.78Å; V507-L581 HydrophobicContact CG2-CD2 4.32Å; V507-A585 HydrophobicContact CG1-CB 4.46Å; V507-A585 HydrophobicContact CG2-CB 4.47Å; V507-L588 HydrophobicContact CG2-CD1 3.73Å
508	L	88.5	Confident	88.3	Confident	103 Å²	103	51.2 Å²	51.2	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-37	176.8	-72.4	167.9	0	0	0	112.3	R504 Q505 V510 E511 Q512	R504-L508 WeakPolarHBondContact O-CB 3.4Å; R504-L508 WeakPolarHBondContact O-CG 3.38Å; R504-L508 PolarHBondContact O-N 3.31Å; Q505-L508 WeakPolarHBondContact O-CB 3.48Å; Q505-L508 PolarHBondContact O-N 3.04Å; L508-V510 VanDerWaalsContact C-N 3.34Å; L508-V510 PolarHBondContact O-N 3.02Å; L508-E511 PolarHBondContact O-N 3.37Å; L508-Q512 VanDerWaalsContact O-CB 3.27Å; L508-Q512 WeakPolarHBondContact O-CB 3.38Å; L508-Q512 PolarHBondContact O-N 3.31Å
509	I	88.3	Confident	88.3	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-42.8	176.8	-59.1	175.7	0	0	0	110.8	Q505 V506 V507 A513 L525 T528 W529 I541	Q505-I509 WeakPolarHBondContact O-CG1 3.48Å; Q505-I509 PolarHBondContact O-N 2.78Å; Q505-I509 VanDerWaalsContact O-N 3.13Å; V506-I509 PolarHBondContact O-N 3.49Å; V507-I509 VanDerWaalsContact C-N 3.28Å; V507-I509 PolarHBondContact O-N 2.86Å; I509-A513 WeakPolarHBondContact O-CB 3.46Å; I509-A513 PolarHBondContact O-N 2.65Å; I509-L525 HydrophobicContact CB-CD1 3.96Å; I509-L525 HydrophobicContact CD1-CD1 4.49Å; I509-L525 HydrophobicContact CG2-CD1 3.62Å; I509-T528 HydrophobicContact CG2-CG2 4.03Å; I509-W529 HydrophobicContact CD1-CB 3.69Å; I509-W529 HydrophobicContact CD1-CG 3.92Å; I509-I541 HydrophobicContact CB-CD1 4.22Å; I509-I541 HydrophobicContact CD1-CD1 3.93Å; I509-I541 HydrophobicContact CD1-CG1 4.47Å; I509-I541 HydrophobicContact CD1-CG2 3.71Å; I509-I541 HydrophobicContact CG1-CD1 3.54Å; I509-I541 HydrophobicContact CG1-CG1 3.9Å; I509-I541 HydrophobicContact CG1-CG2 3.92Å; I509-I541 HydrophobicContact CG2-CD1 3.91Å
510	V	89.8	Confident	88.3	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-43.5	-180	179.1	0	0	0	0	110.6	V506 V507 L508 Q512 A513 E514 L525 L564 L581	V506-V510 PolarHBondContact O-N 3.36Å; V507-V510 PolarHBondContact O-N 3.31Å; V507-V510 VanDerWaalsContact O-N 3.15Å; L508-V510 VanDerWaalsContact C-N 3.34Å; L508-V510 PolarHBondContact O-N 3.02Å; V510-Q512 VanDerWaalsContact C-N 3.34Å; V510-Q512 PolarHBondContact O-N 3.22Å; V510-A513 PolarHBondContact O-N 2.82Å; V510-E514 PolarHBondContact O-N 2.84Å; V510-L525 HydrophobicContact CG2-CD1 3.94Å; V510-L525 HydrophobicContact CG2-CD2 4.1Å; V510-L564 HydrophobicContact CG2-CD2 4.23Å; V510-L581 HydrophobicContact CB-CD2 3.89Å; V510-L581 HydrophobicContact CG1-CD2 3.83Å; V510-L581 HydrophobicContact CG1-CG 4.06Å
511	E	88.8	Confident	88.5	Confident	64 Å²	64	54.5 Å²	54.5	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-42.2	175.8	-168.2	171.1	-149.7	0	0	111.2	V507 L508 E514 S515 L581 K589	V507-E511 WeakPolarHBondContact O-CB 3.42Å; V507-E511 PolarHBondContact O-N 2.84Å; L508-E511 PolarHBondContact O-N 3.37Å; E511-E514 PolarHBondContact O-N 2.89Å; E511-S515 PolarHBondContact O-N 2.56Å; E511-L581 HydrophobicContact CB-CD1 4.19Å; E511-L581 HydrophobicContact CG-CD1 4.41Å; E511-K589 IonicContact OE1-NZ 3.47Å; E511-K589 PolarHBondContact OE1-NZ 2.99Å
512	Q	86.6	Confident	88.6	Confident	40 Å²	40	47.8 Å²	47.8	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-44.1	175.2	-176.2	173.8	10	0	0	111.8	L508 V510 E514 S515 M516	L508-Q512 VanDerWaalsContact O-CB 3.27Å; L508-Q512 WeakPolarHBondContact O-CB 3.38Å; L508-Q512 PolarHBondContact O-N 3.31Å; V510-Q512 VanDerWaalsContact C-N 3.34Å; V510-Q512 PolarHBondContact O-N 3.22Å; Q512-E514 VanDerWaalsContact C-N 3.29Å; Q512-E514 PolarHBondContact O-N 3.3Å; Q512-S515 PolarHBondContact O-N 2.97Å; Q512-S515 PolarHBondContact O-OG 2.86Å; Q512-M516 HydrophobicContact CG-SD 4.15Å; Q512-M516 WeakPolarHBondContact O-CG 3.23Å; Q512-M516 PolarHBondContact O-N 2.98Å; Q512-M516 VanDerWaalsContact O-N 3.16Å
513	A	87.5	Confident	88.5	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-38.4	178.2	0	0	0	0	0	112.1	I509 V510 M516 N517 E518 V520 L537	I509-A513 WeakPolarHBondContact O-CB 3.46Å; I509-A513 PolarHBondContact O-N 2.65Å; V510-A513 PolarHBondContact O-N 2.82Å; A513-M516 CarbonylContact O-C 3.55Å; A513-M516 PolarHBondContact O-N 3.35Å; A513-N517 PolarHBondContact O-N 2.89Å; A513-E518 CarbonylContact C-O 3.55Å; A513-E518 PolarHBondContact O-N 2.92Å; A513-V520 HydrophobicContact CB-CG2 3.26Å; A513-L537 HydrophobicContact CB-CD2 3.99Å
514	E	87.4	Confident	88.4	Confident	96 Å²	96	51.6 Å²	51.6	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.1	-172.7	161.3	-144.1	0	0	111.7	V510 E511 Q512 M516 N517	V510-E514 PolarHBondContact O-N 2.84Å; E511-E514 PolarHBondContact O-N 2.89Å; Q512-E514 VanDerWaalsContact C-N 3.29Å; Q512-E514 PolarHBondContact O-N 3.3Å; E514-M516 PolarHBondContact O-N 2.87Å; E514-M516 VanDerWaalsContact O-N 3.12Å; E514-N517 PolarHBondContact O-N 2.56Å
515	S	86.8	Confident	88.4	Confident	95 Å²	95	47.8 Å²	47.8	66%	0.664	25%	0.247	S	C	*	.	H	α-helix	trans	-60.4	-23.7	174.8	77.9	0	0	0	0	113.8	E511 Q512	E511-S515 PolarHBondContact O-N 2.56Å; Q512-S515 PolarHBondContact O-N 2.97Å; Q512-S515 PolarHBondContact O-OG 2.86Å
516	M	86.1	Confident	88.4	Confident	78 Å²	78	46.7 Å²	46.7	38%	0.384	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.4	178	-64.3	178.6	67.3	0	0	113	Q512 A513 E514 E518 K536 L537	Q512-M516 HydrophobicContact CG-SD 4.15Å; Q512-M516 WeakPolarHBondContact O-CG 3.23Å; Q512-M516 PolarHBondContact O-N 2.98Å; Q512-M516 VanDerWaalsContact O-N 3.16Å; A513-M516 CarbonylContact O-C 3.55Å; A513-M516 PolarHBondContact O-N 3.35Å; E514-M516 PolarHBondContact O-N 2.87Å; E514-M516 VanDerWaalsContact O-N 3.12Å; M516-E518 PolarHBondContact O-N 2.74Å; M516-K536 HydrophobicContact CE-CB 4.23Å; M516-L537 HydrophobicContact SD-CD2 4.23Å
517	N	85.1	Confident	88.3	Confident	158 Å²	158	50.6 Å²	50.6	85%	0.845	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	30.2	-171.4	-74.5	-20.5	0	0	0	113.6	A513 E514	A513-N517 PolarHBondContact O-N 2.89Å; E514-N517 PolarHBondContact O-N 2.56Å
518	E	87.4	Confident	88.2	Confident	52 Å²	52	50.3 Å²	50.3	24%	0.243	26%	0.258	C	S	.	.			trans	-98.3	127.3	174.1	-79.7	-154.8	-164.9	0	0	111.2	A513 M516 K524	A513-E518 CarbonylContact C-O 3.55Å; A513-E518 PolarHBondContact O-N 2.92Å; M516-E518 PolarHBondContact O-N 2.74Å; E518-K524 IonicContact OE2-NZ 2.81Å; E518-K524 PolarHBondContact OE2-NZ 2.95Å
519	K	87.9	Confident	88.2	Confident	111 Å²	111	45.4 Å²	45.4	48%	0.483	23%	0.232	S	C	.	.			trans	-80.2	137.3	171.1	-57.4	-170.1	-179.3	-170.4	0	110.8	Y578	K519-Y578 HydrophobicContact CB-CD1 3.49Å; K519-Y578 VanDerWaalsContact CB-CD1 3.49Å; K519-Y578 HydrophobicContact CB-CD2 4.21Å; K519-Y578 HydrophobicContact CB-CE1 3.58Å; K519-Y578 HydrophobicContact CB-CE2 4.3Å; K519-Y578 HydrophobicContact CB-CG 3.81Å; K519-Y578 HydrophobicContact CD-CD1 4.48Å; K519-Y578 HydrophobicContact CD-CD2 3.7Å; K519-Y578 HydrophobicContact CD-CE1 4.35Å; K519-Y578 HydrophobicContact CD-CE2 3.56Å; K519-Y578 HydrophobicContact CD-CG 4.16Å
520	V	89.3	Confident	88.1	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.024	24%	0.244	C	C	.	.			trans	-117.4	122.5	-176.8	-174.2	0	0	0	0	110.5	A513 K524 L525 Y578 L579	A513-V520 HydrophobicContact CB-CG2 3.26Å; V520-K524 HydrophobicContact CG1-CB 4.16Å; V520-K524 HydrophobicContact CG1-CD 4.46Å; V520-K524 HydrophobicContact CG1-CG 4.31Å; V520-L525 HydrophobicContact CG1-CB 3.8Å; V520-L525 HydrophobicContact CG1-CD1 4.47Å; V520-Y578 WeakPolarHBondContact O-CA 3.41Å; V520-L579 PolarHBondContact O-N 3.43Å
521	T	91.3	Very high	87.7	Confident	46 Å²	46	48.3 Å²	48.3	28%	0.282	25%	0.251	S	S	.	.			trans	-80.6	153.7	171.1	64	0	0	0	0	110	L523 K524 L525 Y578	T521-L523 VanDerWaalsContact C-N 3.27Å; T521-L523 PolarHBondContact O-N 3.38Å; T521-K524 CarbonylContact O-C 3.37Å; T521-K524 WeakPolarHBondContact O-CA 3.46Å; T521-K524 WeakPolarHBondContact O-CB 3.49Å; T521-K524 PolarHBondContact O-N 3Å; T521-K524 VanDerWaalsContact OG1-CB 3.29Å; T521-K524 WeakPolarHBondContact OG1-CB 3.37Å; T521-K524 PolarHBondContact OG1-N 3.5Å; T521-L525 PolarHBondContact O-N 3.12Å; T521-Y578 HydrophobicContact CG2-CD1 3.83Å; T521-Y578 HydrophobicContact CG2-CE1 3.76Å
522	P	90.3	Very high	87.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-50.3	-42.5	176.2	-27.3	30.1	0	0	0	114.6	F430 F434 L525 V526 F577 L579	F430-P522 HydrophobicContact CE1-CB 3.76Å; F430-P522 HydrophobicContact CZ-CB 3.73Å; F434-P522 HydrophobicContact CD1-CB 4.47Å; F434-P522 HydrophobicContact CD1-CG 3.6Å; F434-P522 HydrophobicContact CD2-CB 3.88Å; F434-P522 HydrophobicContact CD2-CG 3.75Å; F434-P522 HydrophobicContact CE1-CB 3.97Å; F434-P522 HydrophobicContact CE1-CG 3.35Å; F434-P522 HydrophobicContact CE2-CB 3.31Å; F434-P522 HydrophobicContact CE2-CG 3.53Å; F434-P522 HydrophobicContact CG-CB 4.43Å; F434-P522 HydrophobicContact CG-CG 3.79Å; F434-P522 HydrophobicContact CZ-CB 3.36Å; F434-P522 HydrophobicContact CZ-CG 3.32Å; P522-L525 WeakPolarHBondContact O-CB 3.4Å; P522-L525 PolarHBondContact O-N 2.94Å; P522-V526 WeakPolarHBondContact O-CG2 3.46Å; P522-V526 PolarHBondContact O-N 3.46Å; P522-F577 VanDerWaalsContact CD-CE2 3.5Å; P522-F577 HydrophobicContact CG-CD2 3.71Å; P522-F577 HydrophobicContact CG-CE2 3.64Å; P522-L579 HydrophobicContact CB-CD1 3.93Å; P522-L579 HydrophobicContact CB-CG 4.44Å; P522-L579 HydrophobicContact CG-CD1 3.88Å; P522-L579 HydrophobicContact CG-CD2 4.27Å; P522-L579 HydrophobicContact CG-CG 3.83Å
523	L	88	Confident	86.7	Confident	68 Å²	68	53 Å²	53	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-66.1	-43.3	176.6	-67.4	174.8	0	0	0	111.7	F430 T521 L525 V526 E527	F430-L523 HydrophobicContact CD1-CD2 4.11Å; F430-L523 HydrophobicContact CE1-CD2 4.28Å; T521-L523 VanDerWaalsContact C-N 3.27Å; T521-L523 PolarHBondContact O-N 3.38Å; L523-L525 VanDerWaalsContact C-N 3.26Å; L523-L525 PolarHBondContact O-N 3.33Å; L523-V526 PolarHBondContact O-N 3.32Å; L523-E527 WeakPolarHBondContact O-CG 3.36Å; L523-E527 PolarHBondContact O-N 2.76Å
524	K	88.6	Confident	85.9	Confident	45 Å²	45	55.6 Å²	55.6	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-35.9	175.2	-172	-179.3	177.9	-166.7	0	111	E518 V520 T521 T528 L537	E518-K524 IonicContact OE2-NZ 2.81Å; E518-K524 PolarHBondContact OE2-NZ 2.95Å; V520-K524 HydrophobicContact CG1-CB 4.16Å; V520-K524 HydrophobicContact CG1-CD 4.46Å; V520-K524 HydrophobicContact CG1-CG 4.31Å; T521-K524 CarbonylContact O-C 3.37Å; T521-K524 WeakPolarHBondContact O-CA 3.46Å; T521-K524 WeakPolarHBondContact O-CB 3.49Å; T521-K524 PolarHBondContact O-N 3Å; T521-K524 VanDerWaalsContact OG1-CB 3.29Å; T521-K524 WeakPolarHBondContact OG1-CB 3.37Å; T521-K524 PolarHBondContact OG1-N 3.5Å; K524-T528 VanDerWaalsContact O-CB 3.23Å; K524-T528 WeakPolarHBondContact O-CB 3.29Å; K524-T528 PolarHBondContact O-N 3.1Å; K524-T528 PolarHBondContact O-OG1 3.2Å; K524-L537 VanDerWaalsContact CE-CD1 3.46Å
525	L	89.9	Confident	84.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-49.4	175.9	-177.3	60.3	0	0	0	111.5	V506 I509 V510 V520 T521 P522 L523 E527 T528 W529 I555 L564 L579	V506-L525 HydrophobicContact CG1-CD1 4.41Å; V506-L525 HydrophobicContact CG1-CD2 3.93Å; V506-L525 HydrophobicContact CG1-CG 4.44Å; I509-L525 HydrophobicContact CB-CD1 3.96Å; I509-L525 HydrophobicContact CD1-CD1 4.49Å; I509-L525 HydrophobicContact CG2-CD1 3.62Å; V510-L525 HydrophobicContact CG2-CD1 3.94Å; V510-L525 HydrophobicContact CG2-CD2 4.1Å; V520-L525 HydrophobicContact CG1-CB 3.8Å; V520-L525 HydrophobicContact CG1-CD1 4.47Å; T521-L525 PolarHBondContact O-N 3.12Å; P522-L525 WeakPolarHBondContact O-CB 3.4Å; P522-L525 PolarHBondContact O-N 2.94Å; L523-L525 VanDerWaalsContact C-N 3.26Å; L523-L525 PolarHBondContact O-N 3.33Å; L525-E527 PolarHBondContact O-N 3.05Å; L525-T528 PolarHBondContact O-N 2.9Å; L525-W529 WeakPolarHBondContact O-CB 3.34Å; L525-W529 PolarHBondContact O-N 3.13Å; L525-I555 HydrophobicContact CD2-CD1 4.11Å; L525-I555 HydrophobicContact CD2-CG1 4.45Å; L525-I555 HydrophobicContact CD2-CG2 4.42Å; L525-I555 HydrophobicContact CG-CD1 4.07Å; L525-L564 HydrophobicContact CD2-CD1 4.48Å; L525-L579 HydrophobicContact CB-CD1 4.48Å; L525-L579 HydrophobicContact CD2-CD1 3.46Å; L525-L579 VanDerWaalsContact CD2-CD1 3.46Å
526	V	89.6	Confident	84.1	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-56.9	-50.5	175.7	174.7	0	0	0	0	110.3	F430 P522 L523 T528 W529 M530 R548 E552 I555	F430-V526 HydrophobicContact CE1-CG2 3.77Å; F430-V526 HydrophobicContact CZ-CG2 3.94Å; P522-V526 WeakPolarHBondContact O-CG2 3.46Å; P522-V526 PolarHBondContact O-N 3.46Å; L523-V526 PolarHBondContact O-N 3.32Å; V526-T528 PolarHBondContact O-N 3Å; V526-W529 PolarHBondContact O-N 3.39Å; V526-M530 HydrophobicContact CG1-CG 4.48Å; V526-M530 HydrophobicContact CG1-SD 3.95Å; V526-M530 WeakPolarHBondContact O-CB 3.24Å; V526-M530 VanDerWaalsContact O-CG 3.3Å; V526-M530 WeakPolarHBondContact O-CG 3.41Å; V526-M530 PolarHBondContact O-N 3.39Å; V526-R548 HydrophobicContact CG1-CG 4.4Å; V526-E552 HydrophobicContact CG1-CG 4.29Å; V526-E552 HydrophobicContact CG2-CG 3.96Å; V526-I555 HydrophobicContact CB-CD1 4.38Å; V526-I555 HydrophobicContact CG2-CD1 3.43Å; V526-I555 VanDerWaalsContact CG2-CD1 3.43Å
527	E	87.7	Confident	83.2	Confident	83 Å²	83	52 Å²	52	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-45.2	-179.1	-73.5	-180	174.3	0	0	111.9	L523 L525 W529 M530 G531 R532	L523-E527 WeakPolarHBondContact O-CG 3.36Å; L523-E527 PolarHBondContact O-N 2.76Å; L525-E527 PolarHBondContact O-N 3.05Å; E527-W529 VanDerWaalsContact C-N 3.35Å; E527-W529 PolarHBondContact O-N 2.96Å; E527-M530 CarbonylContact O-C 3.6Å; E527-M530 PolarHBondContact O-N 3.34Å; E527-G531 PolarHBondContact O-N 3.49Å; E527-R532 CarbonylContact C-O 3.57Å; E527-R532 HydrophobicContact CB-CB 4.23Å; E527-R532 CarbonylContact O-C 3.56Å; E527-R532 WeakPolarHBondContact O-CA 3.18Å; E527-R532 PolarHBondContact O-N 3.37Å; E527-R532 VanDerWaalsContact O-O 3.07Å
528	T	86.8	Confident	82.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-43.3	179.6	-57.3	0	0	0	0	111.1	I509 K524 L525 V526 M530 G531 R532 L537 R538 I541	I509-T528 HydrophobicContact CG2-CG2 4.03Å; K524-T528 VanDerWaalsContact O-CB 3.23Å; K524-T528 WeakPolarHBondContact O-CB 3.29Å; K524-T528 PolarHBondContact O-N 3.1Å; K524-T528 PolarHBondContact O-OG1 3.2Å; L525-T528 PolarHBondContact O-N 2.9Å; V526-T528 PolarHBondContact O-N 3Å; T528-M530 VanDerWaalsContact C-N 3.32Å; T528-M530 PolarHBondContact O-N 2.94Å; T528-G531 PolarHBondContact O-N 3.34Å; T528-R532 WeakPolarHBondContact CA-O 3.34Å; T528-R532 PolarHBondContact N-O 3.27Å; T528-L537 HydrophobicContact CG2-CB 3.83Å; T528-R538 HydrophobicContact CG2-CG 4.33Å; T528-I541 HydrophobicContact CG2-CD1 3.49Å; T528-I541 VanDerWaalsContact CG2-CD1 3.49Å
529	W	88.8	Confident	80.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-32.2	178.7	-170.3	31.3	0	0	0	112.8	H502 V506 I509 L525 V526 E527 G531 T544 L546 A551 V554 I555	H502-W529 HydrophobicContact CB-CH2 3.86Å; H502-W529 HydrophobicContact CB-CZ2 3.65Å; H502-W529 AromaticContact CG-CZ2 3.92Å; H502-W529 AromaticContact ND1-CZ2 3.72Å; V506-W529 HydrophobicContact CG2-CD2 3.73Å; V506-W529 HydrophobicContact CG2-CE3 3.71Å; V506-W529 HydrophobicContact CG2-CG 4.39Å; V506-W529 HydrophobicContact CG2-CH2 4Å; V506-W529 HydrophobicContact CG2-CZ2 4Å; V506-W529 HydrophobicContact CG2-CZ3 3.84Å; I509-W529 HydrophobicContact CD1-CB 3.69Å; I509-W529 HydrophobicContact CD1-CG 3.92Å; L525-W529 WeakPolarHBondContact O-CB 3.34Å; L525-W529 PolarHBondContact O-N 3.13Å; V526-W529 PolarHBondContact O-N 3.39Å; E527-W529 VanDerWaalsContact C-N 3.35Å; E527-W529 PolarHBondContact O-N 2.96Å; W529-G531 PolarHBondContact O-N 3.39Å; W529-T544 HydrophobicContact CD2-CG2 3.91Å; W529-T544 HydrophobicContact CE3-CG2 4.3Å; W529-T544 HydrophobicContact CG-CG2 4.16Å; W529-T544 HydrophobicContact CZ2-CG2 4.41Å; W529-T544 PolarHBondContact O-N 2.82Å; W529-T544 VanDerWaalsContact O-N 3.13Å; W529-L546 HydrophobicContact CH2-CD1 3.86Å; W529-L546 HydrophobicContact CZ2-CD1 4.42Å; W529-A551 HydrophobicContact CE3-CB 3.91Å; W529-A551 HydrophobicContact CZ3-CB 3.74Å; W529-V554 HydrophobicContact CH2-CB 4.05Å; W529-V554 HydrophobicContact CH2-CG1 3.84Å; W529-V554 HydrophobicContact CH2-CG2 4.31Å; W529-V554 HydrophobicContact CZ3-CB 4.1Å; W529-V554 HydrophobicContact CZ3-CG1 4.13Å; W529-I555 HydrophobicContact CE3-CD1 4.48Å
530	M	86.1	Confident	79.5	Confident	52 Å²	52	58 Å²	58	26%	0.256	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	4.9	170.6	-65.3	-175.4	78.5	0	0	113.6	V526 E527 T528 R532 T544 R548	V526-M530 HydrophobicContact CG1-CG 4.48Å; V526-M530 HydrophobicContact CG1-SD 3.95Å; V526-M530 WeakPolarHBondContact O-CB 3.24Å; V526-M530 VanDerWaalsContact O-CG 3.3Å; V526-M530 WeakPolarHBondContact O-CG 3.41Å; V526-M530 PolarHBondContact O-N 3.39Å; E527-M530 CarbonylContact O-C 3.6Å; E527-M530 PolarHBondContact O-N 3.34Å; T528-M530 VanDerWaalsContact C-N 3.32Å; T528-M530 PolarHBondContact O-N 2.94Å; M530-R532 VanDerWaalsContact C-N 3.34Å; M530-R532 PolarHBondContact O-N 2.72Å; M530-T544 HydrophobicContact CG-CG2 4.16Å; M530-R548 HydrophobicContact CE-CB 4Å; M530-R548 HydrophobicContact SD-CB 3.99Å; M530-R548 HydrophobicContact SD-CG 4.19Å
531	G	82.2	Confident	78.4	Confident	18 Å²	18	59.2 Å²	59.2	19%	0.186	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	10.6	178.5	0	0	0	0	0	115.3	E527 T528 W529 R538	E527-G531 PolarHBondContact O-N 3.49Å; T528-G531 PolarHBondContact O-N 3.34Å; W529-G531 PolarHBondContact O-N 3.39Å; G531-R538 VanDerWaalsContact O-CD 3.23Å; G531-R538 WeakPolarHBondContact O-CD 3.47Å; G531-R538 PolarHBondContact O-NH1 2.83Å
532	R	79.8	Confident	77.4	Confident	169 Å²	169	63.5 Å²	63.5	64%	0.638	31%	0.313	S	S	*	.			trans	-98.7	170.6	174.5	-57.6	-176.2	-175.6	-162.7	0.4	110.4	E527 T528 M530	E527-R532 CarbonylContact C-O 3.57Å; E527-R532 HydrophobicContact CB-CB 4.23Å; E527-R532 CarbonylContact O-C 3.56Å; E527-R532 WeakPolarHBondContact O-CA 3.18Å; E527-R532 PolarHBondContact O-N 3.37Å; E527-R532 VanDerWaalsContact O-O 3.07Å; T528-R532 WeakPolarHBondContact CA-O 3.34Å; T528-R532 PolarHBondContact N-O 3.27Å; M530-R532 VanDerWaalsContact C-N 3.34Å; M530-R532 PolarHBondContact O-N 2.72Å
533	G	74.4	Confident	76.9	Confident	34 Å²	34	67.7 Å²	67.7	35%	0.351	34%	0.339	S	S	.	.	S	Bend	trans	83.2	-164.6	178.6	0	0	0	0	0	115.4	A535 R538	G533-A535 PolarHBondContact O-N 2.82Å; G533-R538 PolarHBondContact O-NE 3.26Å; G533-R538 VanDerWaalsContact O-NE 3.13Å; G533-R538 PolarHBondContact O-NH2 3.26Å
534	P	69.8	Low	76.6	Confident	56 Å²	56	65.4 Å²	65.4	36%	0.364	33%	0.328	S	S	.	.			trans	-61.7	128.4	-166.8	-23.5	34	0	0	0	113.2	K536 L537	P534-K536 PolarHBondContact O-N 3.21Å; P534-K536 VanDerWaalsContact O-N 3.1Å; P534-L537 PolarHBondContact O-N 3.43Å
535	A	66.8	Low	76.3	Confident	57 Å²	57	68.5 Å²	68.5	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-25.2	-179	0	0	0	0	0	113.8	G533 L537 R538	G533-A535 PolarHBondContact O-N 2.82Å; A535-L537 VanDerWaalsContact C-N 3.34Å; A535-L537 PolarHBondContact O-N 3.33Å; A535-R538 PolarHBondContact O-N 3.46Å
536	K	70.2	Confident	76	Confident	135 Å²	135	69.5 Å²	69.5	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-59.5	-41.9	180	-65.9	-174.8	-178.5	-178.8	0	112.7	M516 P534	M516-K536 HydrophobicContact CE-CB 4.23Å; P534-K536 PolarHBondContact O-N 3.21Å; P534-K536 VanDerWaalsContact O-N 3.1Å
537	L	67.1	Low	75.9	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-80.8	-22.3	-179.6	-62.9	172.7	0	0	0	111.8	A513 M516 K524 T528 P534 A535 K539 I541	A513-L537 HydrophobicContact CB-CD2 3.99Å; M516-L537 HydrophobicContact SD-CD2 4.23Å; K524-L537 VanDerWaalsContact CE-CD1 3.46Å; T528-L537 HydrophobicContact CG2-CB 3.83Å; P534-L537 PolarHBondContact O-N 3.43Å; A535-L537 VanDerWaalsContact C-N 3.34Å; A535-L537 PolarHBondContact O-N 3.33Å; L537-K539 PolarHBondContact O-N 2.91Å; L537-I541 WeakPolarHBondContact O-CD1 3.49Å; L537-I541 WeakPolarHBondContact O-CG1 3.31Å
538	R	65.8	Low	75.9	Confident	105 Å²	105	73.1 Å²	73.1	40%	0.396	39%	0.386	S	S	.	.	H	α-helix	trans	-79.3	-14.6	-173.6	-67.6	-171.8	-71	152.8	5	115.7	T528 G531 G533 A535 M540 I541	T528-R538 HydrophobicContact CG2-CG 4.33Å; G531-R538 VanDerWaalsContact O-CD 3.23Å; G531-R538 WeakPolarHBondContact O-CD 3.47Å; G531-R538 PolarHBondContact O-NH1 2.83Å; G533-R538 PolarHBondContact O-NE 3.26Å; G533-R538 VanDerWaalsContact O-NE 3.13Å; G533-R538 PolarHBondContact O-NH2 3.26Å; A535-R538 PolarHBondContact O-N 3.46Å; R538-M540 PolarHBondContact O-N 2.97Å; R538-M540 VanDerWaalsContact O-N 3.08Å; R538-I541 PolarHBondContact O-N 2.89Å
539	K	59.6	Low	75.8	Confident	178 Å²	178	77.6 Å²	77.6	77%	0.774	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.8	-165.4	-73.2	-173.4	178.3	-176.7	0	115.7	L537	L537-K539 PolarHBondContact O-N 2.91Å
540	M	57.7	Low	75.8	Confident	164 Å²	164	79.5 Å²	79.5	81%	0.808	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	14.1	-178	-67.5	-168.3	179.2	0	0	113.8	R538	R538-M540 PolarHBondContact O-N 2.97Å; R538-M540 VanDerWaalsContact O-N 3.08Å
541	I	65.9	Low	75.9	Confident	30 Å²	30	77 Å²	77	15%	0.154	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-102.4	131	-170.8	-58.3	172.4	0	0	0	111.2	I509 T528 L537 R538 T543	I509-I541 HydrophobicContact CB-CD1 4.22Å; I509-I541 HydrophobicContact CD1-CD1 3.93Å; I509-I541 HydrophobicContact CD1-CG1 4.47Å; I509-I541 HydrophobicContact CD1-CG2 3.71Å; I509-I541 HydrophobicContact CG1-CD1 3.54Å; I509-I541 HydrophobicContact CG1-CG1 3.9Å; I509-I541 HydrophobicContact CG1-CG2 3.92Å; I509-I541 HydrophobicContact CG2-CD1 3.91Å; T528-I541 HydrophobicContact CG2-CD1 3.49Å; T528-I541 VanDerWaalsContact CG2-CD1 3.49Å; L537-I541 WeakPolarHBondContact O-CD1 3.49Å; L537-I541 WeakPolarHBondContact O-CG1 3.31Å; R538-I541 PolarHBondContact O-N 2.89Å; I541-T543 PolarHBondContact O-N 2.89Å
542	Q	70.6	Confident	76.4	Confident	136 Å²	136	77.3 Å²	77.3	64%	0.636	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-74.7	116.6	164.2	-170.4	177.2	11	0	0	109.6	Q505	Q505-Q542 VanDerWaalsContact NE2-CD 3.33Å
543	T	79.1	Confident	76.9	Confident	88 Å²	88	70.2 Å²	70.2	54%	0.54	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-69.1	144.2	179.1	55.8	0	0	0	0	111.5	I541	I541-T543 PolarHBondContact O-N 2.89Å
544	T	81.5	Confident	77.7	Confident	19 Å²	19	68.6 Å²	68.6	12%	0.117	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-82.3	143.7	178.5	-169.8	0	0	0	0	112.1	W529 M530 L546	W529-T544 HydrophobicContact CD2-CG2 3.91Å; W529-T544 HydrophobicContact CE3-CG2 4.3Å; W529-T544 HydrophobicContact CG-CG2 4.16Å; W529-T544 HydrophobicContact CZ2-CG2 4.41Å; W529-T544 PolarHBondContact O-N 2.82Å; W529-T544 VanDerWaalsContact O-N 3.13Å; M530-T544 HydrophobicContact CG-CG2 4.16Å; T544-L546 VanDerWaalsContact C-N 3.3Å; T544-L546 HydrophobicContact CG2-CB 4.32Å; T544-L546 WeakPolarHBondContact OG1-CB 3.34Å; T544-L546 VanDerWaalsContact OG1-CG 3.28Å; T544-L546 WeakPolarHBondContact OG1-CG 3.32Å; T544-L546 PolarHBondContact OG1-N 2.94Å
545	A	83.1	Confident	78.8	Confident	111 Å²	111	66 Å²	66	92%	0.917	35%	0.346	S	S	*	.			trans	-86.9	-2.1	169.8	0	0	0	0	0	112.8
546	L	84.4	Confident	80.1	Confident	21 Å²	21	63.4 Å²	63.4	11%	0.11	32%	0.324	C	S	.	.	S	Bend	trans	-69.9	149.2	-178.5	-64.6	177.6	0	0	0	111.9	M497 W529 T544 Q550 V554	M497-L546 HydrophobicContact CE-CD2 4.2Å; W529-L546 HydrophobicContact CH2-CD1 3.86Å; W529-L546 HydrophobicContact CZ2-CD1 4.42Å; T544-L546 VanDerWaalsContact C-N 3.3Å; T544-L546 HydrophobicContact CG2-CB 4.32Å; T544-L546 WeakPolarHBondContact OG1-CB 3.34Å; T544-L546 VanDerWaalsContact OG1-CG 3.28Å; T544-L546 WeakPolarHBondContact OG1-CG 3.32Å; T544-L546 PolarHBondContact OG1-N 2.94Å; L546-Q550 HydrophobicContact CB-CB 4.01Å; L546-Q550 HydrophobicContact CD1-CB 4.49Å; L546-Q550 HydrophobicContact CD2-CB 4.26Å; L546-Q550 HydrophobicContact CG-CB 4.49Å; L546-V554 HydrophobicContact CD1-CG2 4.14Å
547	S	87	Confident	81.1	Confident	56 Å²	56	57.4 Å²	57.4	39%	0.392	30%	0.299	S	S	.	.			trans	-64.2	158.8	167.7	66	0	0	0	0	110.9	L549 Q550 A551	S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 3.13Å; S547-Q550 VanDerWaalsContact N-OE1 3.1Å; S547-Q550 PolarHBondContact O-N 3.29Å; S547-Q550 VanDerWaalsContact O-N 3.1Å; S547-Q550 WeakPolarHBondContact OG-CG 3.41Å; S547-Q550 PolarHBondContact OG-N 2.84Å; S547-Q550 PolarHBondContact OG-OE1 3.49Å; S547-A551 PolarHBondContact O-N 3.5Å
548	R	87.1	Confident	82.3	Confident	104 Å²	104	57.3 Å²	57.3	39%	0.392	30%	0.299	S	S	.	.	H	α-helix	trans	-53.5	-43.9	177.9	-178.2	176.4	176.6	156.1	5.1	112.3	V526 M530 Q550 A551 E552	V526-R548 HydrophobicContact CG1-CG 4.4Å; M530-R548 HydrophobicContact CE-CB 4Å; M530-R548 HydrophobicContact SD-CB 3.99Å; M530-R548 HydrophobicContact SD-CG 4.19Å; R548-Q550 PolarHBondContact O-N 3.1Å; R548-A551 PolarHBondContact O-N 3.38Å; R548-E552 HydrophobicContact CG-CG 4.42Å; R548-E552 WeakPolarHBondContact CG-OE1 3.46Å; R548-E552 IonicContact CZ-OE1 3.21Å; R548-E552 IonicContact NE-OE1 2.84Å; R548-E552 PolarHBondContact NE-OE1 3.29Å; R548-E552 IonicContact NH2-OE1 3.13Å; R548-E552 WeakPolarHBondContact O-CB 3.34Å; R548-E552 WeakPolarHBondContact O-CG 3.21Å; R548-E552 PolarHBondContact O-N 3.13Å
549	L	85.6	Confident	83.6	Confident	96 Å²	96	52.6 Å²	52.6	50%	0.503	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-41.1	178.9	-69.8	172.4	0	0	0	112.3	S547 A553	S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 3.13Å; L549-A553 WeakPolarHBondContact O-CB 3.47Å; L549-A553 PolarHBondContact O-N 3.36Å
550	Q	87.6	Confident	85.1	Confident	39 Å²	39	46.7 Å²	46.7	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-39.4	175.8	-72.6	168.1	-45.6	0	0	111.6	L546 S547 R548 A553 V554 M599	L546-Q550 HydrophobicContact CB-CB 4.01Å; L546-Q550 HydrophobicContact CD1-CB 4.49Å; L546-Q550 HydrophobicContact CD2-CB 4.26Å; L546-Q550 HydrophobicContact CG-CB 4.49Å; S547-Q550 VanDerWaalsContact N-OE1 3.1Å; S547-Q550 PolarHBondContact O-N 3.29Å; S547-Q550 VanDerWaalsContact O-N 3.1Å; S547-Q550 WeakPolarHBondContact OG-CG 3.41Å; S547-Q550 PolarHBondContact OG-N 2.84Å; S547-Q550 PolarHBondContact OG-OE1 3.49Å; R548-Q550 PolarHBondContact O-N 3.1Å; Q550-A553 PolarHBondContact O-N 2.87Å; Q550-V554 WeakPolarHBondContact O-CG2 3.47Å; Q550-V554 PolarHBondContact O-N 3.33Å; Q550-M599 HydrophobicContact CG-SD 4.4Å
551	A	89.7	Confident	86.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-44.7	176.4	0	0	0	0	0	111.7	W529 S547 R548 A553 V554 I555	W529-A551 HydrophobicContact CE3-CB 3.91Å; W529-A551 HydrophobicContact CZ3-CB 3.74Å; S547-A551 PolarHBondContact O-N 3.5Å; R548-A551 PolarHBondContact O-N 3.38Å; A551-A553 VanDerWaalsContact C-N 3.34Å; A551-A553 PolarHBondContact O-N 3.44Å; A551-V554 PolarHBondContact O-N 3.24Å; A551-I555 WeakPolarHBondContact O-CG1 3.49Å; A551-I555 PolarHBondContact O-N 3.17Å; A551-I555 VanDerWaalsContact O-N 3.13Å
552	E	91.8	Very high	87.7	Confident	25 Å²	25	41.4 Å²	41.4	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-44.3	172.7	-72.9	174.3	-176	0	0	110.7	F430 V526 R548 V554 I555 V556	F430-E552 HydrophobicContact CB-CB 4.15Å; F430-E552 HydrophobicContact CB-CG 4Å; F430-E552 VanDerWaalsContact CB-OE2 3.31Å; F430-E552 WeakPolarHBondContact CB-OE2 3.39Å; F430-E552 HydrophobicContact CD1-CG 3.88Å; F430-E552 HydrophobicContact CD2-CB 3.82Å; F430-E552 HydrophobicContact CD2-CG 4.05Å; F430-E552 HydrophobicContact CE1-CG 4.34Å; F430-E552 HydrophobicContact CE2-CB 4.34Å; F430-E552 HydrophobicContact CE2-CG 4.49Å; F430-E552 HydrophobicContact CG-CB 3.94Å; F430-E552 HydrophobicContact CG-CG 3.71Å; V526-E552 HydrophobicContact CG1-CG 4.29Å; V526-E552 HydrophobicContact CG2-CG 3.96Å; R548-E552 HydrophobicContact CG-CG 4.42Å; R548-E552 WeakPolarHBondContact CG-OE1 3.46Å; R548-E552 IonicContact CZ-OE1 3.21Å; R548-E552 IonicContact NE-OE1 2.84Å; R548-E552 PolarHBondContact NE-OE1 3.29Å; R548-E552 IonicContact NH2-OE1 3.13Å; R548-E552 WeakPolarHBondContact O-CB 3.34Å; R548-E552 WeakPolarHBondContact O-CG 3.21Å; R548-E552 PolarHBondContact O-N 3.13Å; E552-V554 PolarHBondContact O-N 3.12Å; E552-I555 PolarHBondContact O-N 2.9Å; E552-V556 VanDerWaalsContact O-CG2 3.31Å; E552-V556 WeakPolarHBondContact O-CG2 3.34Å; E552-V556 PolarHBondContact O-N 3.16Å
553	A	90.3	Very high	88.7	Confident	19 Å²	19	35.4 Å²	35.4	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-40.6	177.8	0	0	0	0	0	113.3	L549 Q550 A551 V556 S557 M599	L549-A553 WeakPolarHBondContact O-CB 3.47Å; L549-A553 PolarHBondContact O-N 3.36Å; Q550-A553 PolarHBondContact O-N 2.87Å; A551-A553 VanDerWaalsContact C-N 3.34Å; A551-A553 PolarHBondContact O-N 3.44Å; A553-V556 PolarHBondContact O-N 3.34Å; A553-S557 PolarHBondContact O-N 2.93Å; A553-M599 HydrophobicContact CB-SD 4.22Å
554	V	91.6	Very high	89.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-49.1	174.3	170.5	0	0	0	0	110.7	I499 H502 W529 L546 Q550 A551 E552 V556 S557 L558 I597	I499-V554 HydrophobicContact CD1-CG1 4.11Å; I499-V554 HydrophobicContact CG2-CG2 4.08Å; H502-V554 HydrophobicContact CB-CG1 4.29Å; W529-V554 HydrophobicContact CH2-CB 4.05Å; W529-V554 HydrophobicContact CH2-CG1 3.84Å; W529-V554 HydrophobicContact CH2-CG2 4.31Å; W529-V554 HydrophobicContact CZ3-CB 4.1Å; W529-V554 HydrophobicContact CZ3-CG1 4.13Å; L546-V554 HydrophobicContact CD1-CG2 4.14Å; Q550-V554 WeakPolarHBondContact O-CG2 3.47Å; Q550-V554 PolarHBondContact O-N 3.33Å; A551-V554 PolarHBondContact O-N 3.24Å; E552-V554 PolarHBondContact O-N 3.12Å; V554-V556 VanDerWaalsContact C-N 3.34Å; V554-V556 PolarHBondContact O-N 3.36Å; V554-S557 PolarHBondContact O-N 3.27Å; V554-S557 VanDerWaalsContact O-N 3.17Å; V554-L558 HydrophobicContact CG1-CD1 4.15Å; V554-L558 HydrophobicContact CG1-CG 4.43Å; V554-L558 WeakPolarHBondContact O-CG 3.45Å; V554-L558 PolarHBondContact O-N 3.48Å; V554-I597 HydrophobicContact CG2-CD1 3.92Å
555	I	93	Very high	89.8	Confident	2 Å²	2	37 Å²	37	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-42.8	-179.5	-68.1	169.8	0	0	0	111.1	F430 V506 L525 V526 W529 A551 E552 S557 L558 L559 L564 L579	F430-I555 HydrophobicContact CE2-CB 4.32Å; F430-I555 HydrophobicContact CE2-CG2 4.07Å; F430-I555 HydrophobicContact CZ-CB 4.49Å; F430-I555 HydrophobicContact CZ-CG2 4.02Å; V506-I555 HydrophobicContact CG1-CG1 4.38Å; V506-I555 HydrophobicContact CG2-CG1 4.48Å; L525-I555 HydrophobicContact CD2-CD1 4.11Å; L525-I555 HydrophobicContact CD2-CG1 4.45Å; L525-I555 HydrophobicContact CD2-CG2 4.42Å; L525-I555 HydrophobicContact CG-CD1 4.07Å; V526-I555 HydrophobicContact CB-CD1 4.38Å; V526-I555 HydrophobicContact CG2-CD1 3.43Å; V526-I555 VanDerWaalsContact CG2-CD1 3.43Å; W529-I555 HydrophobicContact CE3-CD1 4.48Å; A551-I555 WeakPolarHBondContact O-CG1 3.49Å; A551-I555 PolarHBondContact O-N 3.17Å; A551-I555 VanDerWaalsContact O-N 3.13Å; E552-I555 PolarHBondContact O-N 2.9Å; I555-S557 VanDerWaalsContact C-N 3.33Å; I555-S557 PolarHBondContact O-N 3.19Å; I555-L558 PolarHBondContact O-N 2.85Å; I555-L559 PolarHBondContact O-N 2.95Å; I555-L564 HydrophobicContact CG2-CD1 4.09Å; I555-L579 HydrophobicContact CG2-CD1 4.19Å
556	V	93.1	Very high	90.1	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-42.1	175.7	175.2	0	0	0	0	111.1	F430 I433 V454 Q458 E552 A553 V554 L558 L559 L560	F430-V556 HydrophobicContact CD2-CG2 3.52Å; F430-V556 HydrophobicContact CE2-CG2 3.66Å; I433-V556 HydrophobicContact CD1-CG1 4.17Å; I433-V556 HydrophobicContact CD1-CG2 3.51Å; V454-V556 HydrophobicContact CG1-CG1 3.37Å; Q458-V556 VanDerWaalsContact CD-CG1 3.45Å; Q458-V556 HydrophobicContact CG-CB 4.46Å; Q458-V556 HydrophobicContact CG-CG1 3.57Å; Q458-V556 VanDerWaalsContact NE2-CB 3.34Å; E552-V556 VanDerWaalsContact O-CG2 3.31Å; E552-V556 WeakPolarHBondContact O-CG2 3.34Å; E552-V556 PolarHBondContact O-N 3.16Å; A553-V556 PolarHBondContact O-N 3.34Å; V554-V556 VanDerWaalsContact C-N 3.34Å; V554-V556 PolarHBondContact O-N 3.36Å; V556-L558 VanDerWaalsContact C-N 3.33Å; V556-L558 PolarHBondContact O-N 2.96Å; V556-L559 WeakPolarHBondContact O-CB 3.26Å; V556-L559 PolarHBondContact O-N 3.1Å; V556-L560 HydrophobicContact CG1-CD1 4.1Å; V556-L560 HydrophobicContact CG1-CG 4.28Å; V556-L560 WeakPolarHBondContact O-CG 3.23Å; V556-L560 PolarHBondContact O-N 3.15Å
557	S	91.8	Very high	90.4	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-39.3	175.9	-177.6	0	0	0	0	112.3	A553 V554 I555 L559 L560 Q561 I597	A553-S557 PolarHBondContact O-N 2.93Å; V554-S557 PolarHBondContact O-N 3.27Å; V554-S557 VanDerWaalsContact O-N 3.17Å; I555-S557 VanDerWaalsContact C-N 3.33Å; I555-S557 PolarHBondContact O-N 3.19Å; S557-L559 VanDerWaalsContact C-N 3.3Å; S557-L559 PolarHBondContact O-N 3.1Å; S557-L560 PolarHBondContact O-N 3Å; S557-Q561 WeakPolarHBondContact O-CB 3.49Å; S557-Q561 VanDerWaalsContact O-CG 3.28Å; S557-Q561 WeakPolarHBondContact O-CG 3.45Å; S557-Q561 PolarHBondContact O-N 3.4Å; S557-Q561 PolarHBondContact OG-NE2 3.36Å; S557-I597 WeakPolarHBondContact OG-CG2 3.35Å
558	L	92.6	Very high	90.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-36.2	175.9	-66.2	175.6	0	0	0	112.2	A503 V506 V554 I555 V556 G562 Y563 L564	A503-L558 HydrophobicContact CB-CD1 4.33Å; A503-L558 HydrophobicContact CB-CD2 3.58Å; V506-L558 HydrophobicContact CB-CD1 3.91Å; V506-L558 HydrophobicContact CG1-CD1 3.86Å; V506-L558 HydrophobicContact CG2-CD1 4.34Å; V554-L558 HydrophobicContact CG1-CD1 4.15Å; V554-L558 HydrophobicContact CG1-CG 4.43Å; V554-L558 WeakPolarHBondContact O-CG 3.45Å; V554-L558 PolarHBondContact O-N 3.48Å; I555-L558 PolarHBondContact O-N 2.85Å; V556-L558 VanDerWaalsContact C-N 3.33Å; V556-L558 PolarHBondContact O-N 2.96Å; L558-G562 PolarHBondContact O-N 3.5Å; L558-Y563 HydrophobicContact CD2-CD2 3.71Å; L558-Y563 HydrophobicContact CD2-CE2 4.45Å; L558-Y563 HydrophobicContact CD2-CG 4.05Å; L558-Y563 PolarHBondContact O-N 3.35Å; L558-L564 HydrophobicContact CB-CD1 3.8Å; L558-L564 HydrophobicContact CB-CG 3.96Å; L558-L564 HydrophobicContact CD1-CD1 4.3Å; L558-L564 PolarHBondContact O-N 3.21Å
559	L	92.8	Very high	90.6	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-49.8	172.6	-174.5	67.1	0	0	0	111.4	I433 F434 Y447 L451 I555 V556 S557 Q561 G562 L564 E566 L579	I433-L559 HydrophobicContact CG2-CD2 4.47Å; F434-L559 HydrophobicContact CE1-CD2 4.24Å; Y447-L559 WeakPolarHBondContact OH-CD1 3.41Å; L451-L559 HydrophobicContact CD2-CD2 4.26Å; L451-L559 HydrophobicContact CD2-CG 4.28Å; I555-L559 PolarHBondContact O-N 2.95Å; V556-L559 WeakPolarHBondContact O-CB 3.26Å; V556-L559 PolarHBondContact O-N 3.1Å; S557-L559 VanDerWaalsContact C-N 3.3Å; S557-L559 PolarHBondContact O-N 3.1Å; L559-Q561 VanDerWaalsContact C-N 3.32Å; L559-Q561 PolarHBondContact O-N 3.13Å; L559-G562 PolarHBondContact O-N 3.15Å; L559-L564 HydrophobicContact CD1-CB 4.37Å; L559-E566 HydrophobicContact CD1-CG 4.14Å; L559-L579 HydrophobicContact CD1-CD2 4.42Å
560	L	90.8	Very high	90.8	Very high	53 Å²	53	30.9 Å²	30.9	28%	0.277	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-37.8	179.4	-72.9	176.1	0	0	0	112.9	L451 V454 A455 Q458 V556 S557 G562	L451-L560 HydrophobicContact CB-CD2 4.11Å; L451-L560 HydrophobicContact CD2-CD2 4.14Å; L451-L560 VanDerWaalsContact O-CD2 3.29Å; L451-L560 WeakPolarHBondContact O-CD2 3.45Å; V454-L560 HydrophobicContact CB-CD2 4.15Å; V454-L560 HydrophobicContact CG1-CD1 4.22Å; V454-L560 HydrophobicContact CG1-CD2 4.02Å; V454-L560 HydrophobicContact CG1-CG 4.27Å; A455-L560 HydrophobicContact CB-CD1 4.18Å; A455-L560 HydrophobicContact CB-CD2 4.12Å; Q458-L560 HydrophobicContact CB-CD1 4.34Å; Q458-L560 HydrophobicContact CG-CD1 4.23Å; V556-L560 HydrophobicContact CG1-CD1 4.1Å; V556-L560 HydrophobicContact CG1-CG 4.28Å; V556-L560 WeakPolarHBondContact O-CG 3.23Å; V556-L560 PolarHBondContact O-N 3.15Å; S557-L560 PolarHBondContact O-N 3Å; L560-G562 VanDerWaalsContact C-N 3.33Å
561	Q	89.3	Confident	90.7	Very high	60 Å²	60	31.6 Å²	31.6	28%	0.28	16%	0.159	S	C	.	.	H	α-helix	trans	-82.3	-11.5	-178.9	-66.2	-177.4	32.4	0	0	113.2	S557 L559 Y563 K584	S557-Q561 WeakPolarHBondContact O-CB 3.49Å; S557-Q561 VanDerWaalsContact O-CG 3.28Å; S557-Q561 WeakPolarHBondContact O-CG 3.45Å; S557-Q561 PolarHBondContact O-N 3.4Å; S557-Q561 PolarHBondContact OG-NE2 3.36Å; L559-Q561 VanDerWaalsContact C-N 3.32Å; L559-Q561 PolarHBondContact O-N 3.13Å; Q561-Y563 HydrophobicContact CB-CD2 3.7Å; Q561-Y563 HydrophobicContact CB-CE2 3.56Å; Q561-Y563 HydrophobicContact CG-CE2 4.46Å; Q561-K584 VanDerWaalsContact O-CD 3.22Å; Q561-K584 WeakPolarHBondContact O-CD 3.33Å; Q561-K584 VanDerWaalsContact O-CE 3.31Å; Q561-K584 WeakPolarHBondContact O-CE 2.87Å; Q561-K584 PolarHBondContact O-NZ 2.82Å
562	G	88.8	Confident	90.3	Very high	24 Å²	24	37.5 Å²	37.5	25%	0.247	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	18.3	177.4	0	0	0	0	0	115.2	L558 L559 L560 G582 R583 K584	L558-G562 PolarHBondContact O-N 3.5Å; L559-G562 PolarHBondContact O-N 3.15Å; L560-G562 VanDerWaalsContact C-N 3.33Å; G562-G582 CarbonylContact O-C 3.6Å; G562-G582 WeakPolarHBondContact O-CA 3.23Å; G562-R583 PolarHBondContact O-N 3.03Å; G562-K584 PolarHBondContact O-N 2.92Å
563	Y	90.9	Very high	89.6	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.035	23%	0.233	C	C	.	.	S	Bend	trans	-78.1	-26.7	169.1	-61.4	-79.5	0	0	0	112	L558 Q561 G582 K584 L588 H593 V595	L558-Y563 HydrophobicContact CD2-CD2 3.71Å; L558-Y563 HydrophobicContact CD2-CE2 4.45Å; L558-Y563 HydrophobicContact CD2-CG 4.05Å; L558-Y563 PolarHBondContact O-N 3.35Å; Q561-Y563 HydrophobicContact CB-CD2 3.7Å; Q561-Y563 HydrophobicContact CB-CE2 3.56Å; Q561-Y563 HydrophobicContact CG-CE2 4.46Å; Y563-G582 WeakPolarHBondContact O-CA 3.45Å; Y563-G582 PolarHBondContact O-N 3.19Å; Y563-K584 HydrophobicContact CD1-CB 3.63Å; Y563-K584 WeakPolarHBondContact CD1-O 3.48Å; Y563-K584 HydrophobicContact CE1-CB 3.67Å; Y563-K584 WeakPolarHBondContact CE1-O 3.3Å; Y563-K584 HydrophobicContact CG-CB 4.19Å; Y563-L588 HydrophobicContact CD1-CD1 3.41Å; Y563-L588 VanDerWaalsContact CD1-CD1 3.41Å; Y563-L588 HydrophobicContact CD1-CG 3.75Å; Y563-L588 HydrophobicContact CE1-CD1 3.92Å; Y563-L588 HydrophobicContact CE1-CD2 4.21Å; Y563-L588 HydrophobicContact CE1-CG 3.73Å; Y563-L588 HydrophobicContact CG-CD1 4.02Å; Y563-H593 AromaticContact CE1-NE2 3.74Å; Y563-H593 AromaticContact CZ-NE2 3.61Å; Y563-H593 PolarHBondContact OH-CE1 3.22Å; Y563-H593 PolarHBondContact OH-NE2 2.95Å; Y563-V595 HydrophobicContact CE1-CG2 4.46Å; Y563-V595 HydrophobicContact CE2-CG1 4.37Å; Y563-V595 HydrophobicContact CE2-CG2 4.08Å; Y563-V595 WeakPolarHBondContact OH-CG2 3.48Å
564	L	92.8	Very high	89.2	Confident	3 Å²	3	49 Å²	49	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.4	171.2	-62	174.9	0	0	0	109.2	V506 V510 L525 I555 L558 L559 K580	V506-L564 HydrophobicContact CG1-CD1 4.13Å; V510-L564 HydrophobicContact CG2-CD2 4.23Å; L525-L564 HydrophobicContact CD2-CD1 4.48Å; I555-L564 HydrophobicContact CG2-CD1 4.09Å; L558-L564 HydrophobicContact CB-CD1 3.8Å; L558-L564 HydrophobicContact CB-CG 3.96Å; L558-L564 HydrophobicContact CD1-CD1 4.3Å; L558-L564 PolarHBondContact O-N 3.21Å; L559-L564 HydrophobicContact CD1-CB 4.37Å; L564-K580 WeakPolarHBondContact CA-O 3.48Å
565	R	91.7	Very high	88.9	Confident	137 Å²	137	50.9 Å²	50.9	52%	0.517	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.2	170.4	66	179.8	168.9	167.3	0.4	110.6	K580 L581	R565-K580 HydrophobicContact CG-CB 4.06Å; R565-K580 PolarHBondContact N-O 3.39Å; R565-K580 PolarHBondContact O-N 2.91Å; R565-L581 WeakPolarHBondContact CD-O 3.48Å; R565-L581 WeakPolarHBondContact CG-O 3.33Å; R565-L581 PolarHBondContact NE-O 2.88Å
566	E	89.9	Confident	88.5	Confident	18 Å²	18	56.2 Å²	56.2	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.1	173.4	-64.3	-175.5	-163.8	0	0	111.1	F434 S437 Y447 L559 Y568 Y578 L579	F434-E566 WeakPolarHBondContact CD1-OE1 3.47Å; F434-E566 HydrophobicContact CE1-CG 4.48Å; F434-E566 WeakPolarHBondContact CE1-OE1 3.45Å; S437-E566 WeakPolarHBondContact CB-OE2 3.26Å; S437-E566 PolarHBondContact OG-OE2 3.5Å; Y447-E566 HydrophobicContact CE2-CG 4.2Å; L559-E566 HydrophobicContact CD1-CG 4.14Å; E566-Y568 HydrophobicContact CB-CE2 4.35Å; E566-Y568 PolarHBondContact OE2-OH 3.23Å; E566-Y578 CarbonylContact C-O 3.56Å; E566-Y578 WeakPolarHBondContact CA-O 3.38Å; E566-L579 HydrophobicContact CG-CD2 4.31Å
567	D	90.6	Very high	88.3	Confident	39 Å²	39	58.5 Å²	58.5	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.8	175.4	-175.6	70.1	0	0	0	108.9	Y578 K580	D567-Y578 PolarHBondContact N-O 3.33Å; D567-Y578 PolarHBondContact O-N 3.2Å; D567-K580 HydrophobicContact CB-CD 3.77Å; D567-K580 HydrophobicContact CB-CG 3.91Å; D567-K580 WeakPolarHBondContact OD1-CE 3.35Å; D567-K580 IonicContact OD1-NZ 2.82Å; D567-K580 PolarHBondContact OD1-NZ 2.88Å; D567-K580 VanDerWaalsContact OD2-CE 3.23Å; D567-K580 WeakPolarHBondContact OD2-CE 3.21Å; D567-K580 IonicContact OD2-NZ 2.87Å; D567-K580 PolarHBondContact OD2-NZ 2.95Å; D567-K580 VanDerWaalsContact OD2-NZ 3.13Å
568	Y	90.1	Very high	88.3	Confident	54 Å²	54	60.2 Å²	60.2	21%	0.212	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.3	-175.7	-54.8	-84.5	0	0	0	111	S437 V441 Y447 E566 T575 Y576	S437-Y568 PolarHBondContact OG-OH 3.46Å; V441-Y568 HydrophobicContact CB-CE1 4.38Å; V441-Y568 HydrophobicContact CG2-CD1 4Å; V441-Y568 HydrophobicContact CG2-CD2 3.79Å; V441-Y568 HydrophobicContact CG2-CE1 4.06Å; V441-Y568 HydrophobicContact CG2-CE2 3.87Å; V441-Y568 HydrophobicContact CG2-CG 3.85Å; Y447-Y568 WeakPolarHBondContact CD2-OH 3.29Å; E566-Y568 HydrophobicContact CB-CE2 4.35Å; E566-Y568 PolarHBondContact OE2-OH 3.23Å; Y568-T575 HydrophobicContact CD1-CG2 4.25Å; Y568-Y576 CarbonylContact C-O 3.55Å; Y568-Y576 WeakPolarHBondContact CA-O 3.27Å
569	S	88.7	Confident	88.3	Confident	31 Å²	31	60.5 Å²	60.5	22%	0.217	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.2	174.1	-170.1	0	0	0	0	109.2	Y576	S569-Y576 PolarHBondContact N-O 3.43Å; S569-Y576 PolarHBondContact O-N 2.88Å
570	F	88.7	Confident	88.2	Confident	118 Å²	118	63.4 Å²	63.4	52%	0.518	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.1	179.5	-58.9	-81.6	0	0	0	110.1	V441 M442 T575	V441-F570 HydrophobicContact CG1-CE1 4.16Å; V441-F570 HydrophobicContact CG1-CZ 4.41Å; V441-F570 HydrophobicContact CG2-CZ 4.16Å; M442-F570 HydrophobicContact CE-CD1 4.33Å; M442-F570 HydrophobicContact CE-CE1 3.52Å; M442-F570 HydrophobicContact CE-CZ 3.95Å; F570-T575 HydrophobicContact CD1-CG2 3.89Å; F570-T575 WeakPolarHBondContact CD1-OG1 3.32Å; F570-T575 HydrophobicContact CE1-CG2 3.77Å; F570-T575 HydrophobicContact CZ-CG2 4.47Å
571	T	86.3	Confident	88.3	Confident	55 Å²	55	62.5 Å²	62.5	34%	0.337	30%	0.301	S	S	.	.			trans	-116.8	163.8	168.8	68.4	0	0	0	0	108.9	Y573 T574 Y576	T571-Y573 PolarHBondContact O-N 3.49Å; T571-T574 WeakPolarHBondContact CB-O 3.48Å; T571-T574 PolarHBondContact N-O 3.43Å; T571-T574 PolarHBondContact O-N 3.08Å; T571-T574 PolarHBondContact OG1-N 3.24Å; T571-T574 PolarHBondContact OG1-O 3.2Å; T571-T574 PolarHBondContact OG1-OG1 3.24Å; T571-Y576 HydrophobicContact CG2-CD2 3.72Å; T571-Y576 HydrophobicContact CG2-CE2 3.77Å
572	P	81	Confident	88.3	Confident	124 Å²	124	60 Å²	60	81%	0.805	29%	0.292	S	S	*	.	S	Bend	trans	-54.7	-26.7	-173.8	-29	36.2	0	0	0	115.4
573	Y	77.6	Confident	88.2	Confident	219 Å²	219	67.2 Å²	67.2	86%	0.859	31%	0.312	S	S	*	.	S	Bend	trans	-116.4	-21.3	-175.2	-55.6	-69.9	0	0	0	114	T571	T571-Y573 PolarHBondContact O-N 3.49Å
574	T	81.4	Confident	88	Confident	67 Å²	67	70.9 Å²	70.9	41%	0.411	33%	0.328	S	S	.	.			trans	-149.9	144.4	-169.9	49.7	0	0	0	0	111.6	T571 Y576	T571-T574 WeakPolarHBondContact CB-O 3.48Å; T571-T574 PolarHBondContact N-O 3.43Å; T571-T574 PolarHBondContact O-N 3.08Å; T571-T574 PolarHBondContact OG1-N 3.24Å; T571-T574 PolarHBondContact OG1-O 3.2Å; T571-T574 PolarHBondContact OG1-OG1 3.24Å; T574-Y576 WeakPolarHBondContact OG1-CE2 3.48Å
575	T	84.5	Confident	87.7	Confident	39 Å²	39	71 Å²	71	24%	0.239	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.1	169.9	-59.8	0	0	0	0	108	T438 Y568 F570	T438-T575 HydrophobicContact CG2-CG2 3.86Å; Y568-T575 HydrophobicContact CD1-CG2 4.25Å; F570-T575 HydrophobicContact CD1-CG2 3.89Å; F570-T575 WeakPolarHBondContact CD1-OG1 3.32Å; F570-T575 HydrophobicContact CE1-CG2 3.77Å; F570-T575 HydrophobicContact CZ-CG2 4.47Å
576	Y	85.9	Confident	87.4	Confident	114 Å²	114	67.4 Å²	67.4	45%	0.447	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	149.5	174.3	-69.1	-84.2	0	0	0	110.2	Y568 S569 T571 T574	Y568-Y576 CarbonylContact C-O 3.55Å; Y568-Y576 WeakPolarHBondContact CA-O 3.27Å; S569-Y576 PolarHBondContact N-O 3.43Å; S569-Y576 PolarHBondContact O-N 2.88Å; T571-Y576 HydrophobicContact CG2-CD2 3.72Å; T571-Y576 HydrophobicContact CG2-CE2 3.77Å; T574-Y576 WeakPolarHBondContact OG1-CE2 3.48Å
577	F	88.4	Confident	87.1	Confident	50 Å²	50	68.5 Å²	68.5	22%	0.219	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.2	176	56.6	-89.9	0	0	0	109.8	F434 P522	F434-F577 HydrophobicContact CB-CD1 3.99Å; F434-F577 HydrophobicContact CB-CD2 3.47Å; F434-F577 VanDerWaalsContact CB-CD2 3.47Å; F434-F577 HydrophobicContact CB-CE1 3.77Å; F434-F577 HydrophobicContact CB-CE2 3.21Å; F434-F577 HydrophobicContact CB-CG 3.86Å; F434-F577 HydrophobicContact CB-CZ 3.38Å; F434-F577 AromaticContact CD1-CD2 3.88Å; F434-F577 HydrophobicContact CD1-CD2 3.88Å; F434-F577 HydrophobicContact CD1-CE2 4.11Å; F434-F577 AromaticContact CD2-CE2 4Å; F434-F577 HydrophobicContact CD2-CE2 4Å; F434-F577 AromaticContact CG-CD2 3.72Å; F434-F577 HydrophobicContact CG-CD2 3.72Å; F434-F577 AromaticContact CG-CE2 3.49Å; F434-F577 HydrophobicContact CG-CE2 3.49Å; F434-F577 VanDerWaalsContact CG-CE2 3.49Å; F434-F577 HydrophobicContact CG-CZ 4.13Å; P522-F577 VanDerWaalsContact CD-CE2 3.5Å; P522-F577 HydrophobicContact CG-CD2 3.71Å; P522-F577 HydrophobicContact CG-CE2 3.64Å
578	Y	91.9	Very high	86.8	Confident	44 Å²	44	66.9 Å²	66.9	17%	0.173	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.9	176.8	-58.4	-74	0	0	0	109.7	K519 V520 T521 E566 D567	K519-Y578 HydrophobicContact CB-CD1 3.49Å; K519-Y578 VanDerWaalsContact CB-CD1 3.49Å; K519-Y578 HydrophobicContact CB-CD2 4.21Å; K519-Y578 HydrophobicContact CB-CE1 3.58Å; K519-Y578 HydrophobicContact CB-CE2 4.3Å; K519-Y578 HydrophobicContact CB-CG 3.81Å; K519-Y578 HydrophobicContact CD-CD1 4.48Å; K519-Y578 HydrophobicContact CD-CD2 3.7Å; K519-Y578 HydrophobicContact CD-CE1 4.35Å; K519-Y578 HydrophobicContact CD-CE2 3.56Å; K519-Y578 HydrophobicContact CD-CG 4.16Å; V520-Y578 WeakPolarHBondContact O-CA 3.41Å; T521-Y578 HydrophobicContact CG2-CD1 3.83Å; T521-Y578 HydrophobicContact CG2-CE1 3.76Å; E566-Y578 CarbonylContact C-O 3.56Å; E566-Y578 WeakPolarHBondContact CA-O 3.38Å; D567-Y578 PolarHBondContact N-O 3.33Å; D567-Y578 PolarHBondContact O-N 3.2Å
579	L	91.6	Very high	86.2	Confident	6 Å²	6	71 Å²	71	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.4	172.5	-66.8	173.8	0	0	0	110	F434 V520 P522 L525 I555 L559 E566	F434-L579 HydrophobicContact CE1-CD2 4.27Å; V520-L579 PolarHBondContact O-N 3.43Å; P522-L579 HydrophobicContact CB-CD1 3.93Å; P522-L579 HydrophobicContact CB-CG 4.44Å; P522-L579 HydrophobicContact CG-CD1 3.88Å; P522-L579 HydrophobicContact CG-CD2 4.27Å; P522-L579 HydrophobicContact CG-CG 3.83Å; L525-L579 HydrophobicContact CB-CD1 4.48Å; L525-L579 HydrophobicContact CD2-CD1 3.46Å; L525-L579 VanDerWaalsContact CD2-CD1 3.46Å; I555-L579 HydrophobicContact CG2-CD1 4.19Å; L559-L579 HydrophobicContact CD1-CD2 4.42Å; E566-L579 HydrophobicContact CG-CD2 4.31Å
580	K	92.3	Very high	85.9	Confident	67 Å²	67	75.7 Å²	75.7	29%	0.291	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	166.3	170.9	-76.4	-173.2	177.7	164.2	0	110.4	L564 R565 D567 G582	L564-K580 WeakPolarHBondContact CA-O 3.48Å; R565-K580 HydrophobicContact CG-CB 4.06Å; R565-K580 PolarHBondContact N-O 3.39Å; R565-K580 PolarHBondContact O-N 2.91Å; D567-K580 HydrophobicContact CB-CD 3.77Å; D567-K580 HydrophobicContact CB-CG 3.91Å; D567-K580 WeakPolarHBondContact OD1-CE 3.35Å; D567-K580 IonicContact OD1-NZ 2.82Å; D567-K580 PolarHBondContact OD1-NZ 2.88Å; D567-K580 VanDerWaalsContact OD2-CE 3.23Å; D567-K580 WeakPolarHBondContact OD2-CE 3.21Å; D567-K580 IonicContact OD2-NZ 2.87Å; D567-K580 PolarHBondContact OD2-NZ 2.95Å; D567-K580 VanDerWaalsContact OD2-NZ 3.13Å; K580-G582 PolarHBondContact O-N 3.05Å
581	L	92.3	Very high	85.3	Confident	34 Å²	34	78.7 Å²	78.7	18%	0.178	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129.1	170.9	-60.4	-176.5	0	0	0	110	V507 V510 E511 R565 A585	V507-L581 HydrophobicContact CB-CD2 4.31Å; V507-L581 HydrophobicContact CG1-CD2 3.78Å; V507-L581 HydrophobicContact CG2-CD2 4.32Å; V510-L581 HydrophobicContact CB-CD2 3.89Å; V510-L581 HydrophobicContact CG1-CD2 3.83Å; V510-L581 HydrophobicContact CG1-CG 4.06Å; E511-L581 HydrophobicContact CB-CD1 4.19Å; E511-L581 HydrophobicContact CG-CD1 4.41Å; R565-L581 WeakPolarHBondContact CD-O 3.48Å; R565-L581 WeakPolarHBondContact CG-O 3.33Å; R565-L581 PolarHBondContact NE-O 2.88Å; L581-A585 HydrophobicContact CB-CB 4.02Å; L581-A585 HydrophobicContact CD2-CB 4.19Å
582	G	88.8	Confident	85	Confident	8 Å²	8	82.3 Å²	82.3	8%	0.082	39%	0.394	C	S	.	.			trans	-88.3	171.7	174.4	0	0	0	0	0	111.7	G562 Y563 K580 K584 A585	G562-G582 CarbonylContact O-C 3.6Å; G562-G582 WeakPolarHBondContact O-CA 3.23Å; Y563-G582 WeakPolarHBondContact O-CA 3.45Å; Y563-G582 PolarHBondContact O-N 3.19Å; K580-G582 PolarHBondContact O-N 3.05Å; G582-K584 PolarHBondContact O-N 3.33Å; G582-K584 VanDerWaalsContact O-N 3.1Å; G582-A585 VanDerWaalsContact O-CB 3.27Å; G582-A585 WeakPolarHBondContact O-CB 3.45Å; G582-A585 PolarHBondContact O-N 2.96Å
583	R	86	Confident	85.2	Confident	176 Å²	176	78.6 Å²	78.6	66%	0.664	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.9	-175.4	-66.2	176.3	169.3	160.1	-1.8	114.2	E25 G562 P586	E25-R583 VanDerWaalsContact CD-NE 3.26Å; E25-R583 IonicContact OE1-CZ 3.43Å; E25-R583 IonicContact OE1-NE 2.98Å; E25-R583 PolarHBondContact OE1-NE 3.48Å; E25-R583 IonicContact OE1-NH2 3.36Å; E25-R583 PolarHBondContact OE1-NH2 2.91Å; E25-R583 VanDerWaalsContact OE2-CD 3.26Å; E25-R583 WeakPolarHBondContact OE2-CD 3.43Å; E25-R583 WeakPolarHBondContact OE2-CG 3.27Å; E25-R583 IonicContact OE2-CZ 2.69Å; E25-R583 IonicContact OE2-NE 2.86Å; E25-R583 PolarHBondContact OE2-NE 3.38Å; E25-R583 IonicContact OE2-NH2 3.55Å; G562-R583 PolarHBondContact O-N 3.03Å; R583-P586 WeakPolarHBondContact O-CD 3.36Å
584	K	86.9	Confident	85.6	Confident	86 Å²	86	72.1 Å²	72.1	37%	0.374	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.9	-179.7	-61.8	-163.7	-169	162.7	0	114.1	Q561 G562 Y563 G582 P586 L587	Q561-K584 VanDerWaalsContact O-CD 3.22Å; Q561-K584 WeakPolarHBondContact O-CD 3.33Å; Q561-K584 VanDerWaalsContact O-CE 3.31Å; Q561-K584 WeakPolarHBondContact O-CE 2.87Å; Q561-K584 PolarHBondContact O-NZ 2.82Å; G562-K584 PolarHBondContact O-N 2.92Å; Y563-K584 HydrophobicContact CD1-CB 3.63Å; Y563-K584 WeakPolarHBondContact CD1-O 3.48Å; Y563-K584 HydrophobicContact CE1-CB 3.67Å; Y563-K584 WeakPolarHBondContact CE1-O 3.3Å; Y563-K584 HydrophobicContact CG-CB 4.19Å; G582-K584 PolarHBondContact O-N 3.33Å; G582-K584 VanDerWaalsContact O-N 3.1Å; K584-P586 VanDerWaalsContact C-CD 3.44Å; K584-P586 VanDerWaalsContact C-N 3.35Å; K584-L587 HydrophobicContact CB-CD1 4.1Å; K584-L587 HydrophobicContact CD-CD1 4.4Å; K584-L587 HydrophobicContact CG-CD1 4.21Å; K584-L587 WeakPolarHBondContact O-CB 3.38Å; K584-L587 PolarHBondContact O-N 2.68Å; K584-L587 VanDerWaalsContact O-N 3.1Å
585	A	87.1	Confident	85.8	Confident	5 Å²	5	69 Å²	69	4%	0.041	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-55	-41.1	-179.8	0	0	0	0	0	113.6	V507 L581 G582 L587 L588	V507-A585 HydrophobicContact CG1-CB 4.46Å; V507-A585 HydrophobicContact CG2-CB 4.47Å; L581-A585 HydrophobicContact CB-CB 4.02Å; L581-A585 HydrophobicContact CD2-CB 4.19Å; G582-A585 VanDerWaalsContact O-CB 3.27Å; G582-A585 WeakPolarHBondContact O-CB 3.45Å; G582-A585 PolarHBondContact O-N 2.96Å; A585-L587 PolarHBondContact O-N 3.38Å; A585-L588 WeakPolarHBondContact O-CB 3.45Å; A585-L588 PolarHBondContact O-N 3.12Å; A585-L588 VanDerWaalsContact O-N 3.15Å
586	P	85.9	Confident	85.9	Confident	62 Å²	62	73.4 Å²	73.4	40%	0.403	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-61.8	-26.6	178.4	-24.4	35.7	0	0	0	113.9	R583 K584 L588 K589	R583-P586 WeakPolarHBondContact O-CD 3.36Å; K584-P586 VanDerWaalsContact C-CD 3.44Å; K584-P586 VanDerWaalsContact C-N 3.35Å; P586-L588 PolarHBondContact O-N 2.94Å; P586-K589 WeakPolarHBondContact O-CB 3.38Å; P586-K589 PolarHBondContact O-N 3.42Å; P586-K589 VanDerWaalsContact O-N 3.1Å
587	L	82.8	Confident	86	Confident	41 Å²	41	68.5 Å²	68.5	22%	0.215	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-63.8	-28.6	178.8	-59.6	177.4	0	0	0	112.3	L26 K584 A585 K589 K590 H593	L26-L587 HydrophobicContact CD2-CD2 4.26Å; K584-L587 HydrophobicContact CB-CD1 4.1Å; K584-L587 HydrophobicContact CD-CD1 4.4Å; K584-L587 HydrophobicContact CG-CD1 4.21Å; K584-L587 WeakPolarHBondContact O-CB 3.38Å; K584-L587 PolarHBondContact O-N 2.68Å; K584-L587 VanDerWaalsContact O-N 3.1Å; A585-L587 PolarHBondContact O-N 3.38Å; L587-K589 PolarHBondContact O-N 3.16Å; L587-K590 WeakPolarHBondContact O-CB 3.46Å; L587-K590 PolarHBondContact O-N 3.28Å; L587-K590 VanDerWaalsContact O-N 3.16Å; L587-H593 VanDerWaalsContact O-CB 3.3Å; L587-H593 WeakPolarHBondContact O-CB 3.4Å
588	L	83.9	Confident	85.7	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-69.8	-16.2	177.7	-71.6	164.8	0	0	0	113.3	A503 R504 V507 Y563 A585 P586 K590 V595	A503-L588 HydrophobicContact CB-CD1 3.96Å; A503-L588 HydrophobicContact CB-CD2 3.86Å; R504-L588 HydrophobicContact CG-CB 4.26Å; R504-L588 PolarHBondContact NE-O 3.47Å; V507-L588 HydrophobicContact CG2-CD1 3.73Å; Y563-L588 HydrophobicContact CD1-CD1 3.41Å; Y563-L588 VanDerWaalsContact CD1-CD1 3.41Å; Y563-L588 HydrophobicContact CD1-CG 3.75Å; Y563-L588 HydrophobicContact CE1-CD1 3.92Å; Y563-L588 HydrophobicContact CE1-CD2 4.21Å; Y563-L588 HydrophobicContact CE1-CG 3.73Å; Y563-L588 HydrophobicContact CG-CD1 4.02Å; A585-L588 WeakPolarHBondContact O-CB 3.45Å; A585-L588 PolarHBondContact O-N 3.12Å; A585-L588 VanDerWaalsContact O-N 3.15Å; P586-L588 PolarHBondContact O-N 2.94Å; L588-K590 VanDerWaalsContact C-N 3.3Å; L588-V595 HydrophobicContact CD2-CG2 3.74Å
589	K	79.1	Confident	85	Confident	142 Å²	142	67.3 Å²	67.3	62%	0.617	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-74.5	-20.5	173.7	-60	-174.4	176.3	-175.2	0	111.9	E511 P586 L587	E511-K589 IonicContact OE1-NZ 3.47Å; E511-K589 PolarHBondContact OE1-NZ 2.99Å; P586-K589 WeakPolarHBondContact O-CB 3.38Å; P586-K589 PolarHBondContact O-N 3.42Å; P586-K589 VanDerWaalsContact O-N 3.1Å; L587-K589 PolarHBondContact O-N 3.16Å
590	K	82.1	Confident	83.8	Confident	129 Å²	129	70.1 Å²	70.1	56%	0.561	34%	0.336	S	S	*	.	S	Bend	trans	-77.2	132	173.5	-62.6	179.8	179.5	177.3	0	109.8	R504 L587 L588 T592 H593	R504-K590 PolarHBondContact NH2-O 3.28Å; L587-K590 WeakPolarHBondContact O-CB 3.46Å; L587-K590 PolarHBondContact O-N 3.28Å; L587-K590 VanDerWaalsContact O-N 3.16Å; L588-K590 VanDerWaalsContact C-N 3.3Å; K590-T592 VanDerWaalsContact C-N 3.25Å; K590-T592 PolarHBondContact O-N 2.85Å; K590-H593 HydrophobicContact CB-CB 4.46Å; K590-H593 PolarHBondContact O-N 3.01Å
591	E	76.6	Confident	82.2	Confident	181 Å²	181	69.5 Å²	69.5	85%	0.846	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-26.8	-178.5	-67.3	-169.5	160	0	0	113.3	H593	E591-H593 VanDerWaalsContact C-N 3.34Å; E591-H593 PolarHBondContact O-N 3.04Å
592	T	80.2	Confident	80	Confident	130 Å²	130	71.9 Å²	71.9	80%	0.798	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.8	-178.1	54.9	0	0	0	0	114.3	K590	K590-T592 VanDerWaalsContact C-N 3.25Å; K590-T592 PolarHBondContact O-N 2.85Å
593	H	84.5	Confident	77.9	Confident	47 Å²	47	75.3 Å²	75.3	22%	0.218	40%	0.399	C	S	.	.			trans	-84	130.3	-175.3	-171.1	58.2	0	0	0	111.2	T500 Y563 L587 K590 E591	T500-H593 WeakPolarHBondContact CG2-O 3.32Å; Y563-H593 AromaticContact CE1-NE2 3.74Å; Y563-H593 AromaticContact CZ-NE2 3.61Å; Y563-H593 PolarHBondContact OH-CE1 3.22Å; Y563-H593 PolarHBondContact OH-NE2 2.95Å; L587-H593 VanDerWaalsContact O-CB 3.3Å; L587-H593 WeakPolarHBondContact O-CB 3.4Å; K590-H593 HydrophobicContact CB-CB 4.46Å; K590-H593 PolarHBondContact O-N 3.01Å; E591-H593 VanDerWaalsContact C-N 3.34Å; E591-H593 PolarHBondContact O-N 3.04Å
594	T	85.6	Confident	75.6	Confident	82 Å²	82	71.5 Å²	71.5	50%	0.503	39%	0.392	S	S	.	.			trans	-125.4	143.3	-179.5	58.3	0	0	0	0	111.4	T500	T500-T594 WeakPolarHBondContact OG1-CA 3.34Å
595	V	86.3	Confident	73.3	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.012	39%	0.393	C	S	.	.			trans	-124.4	122.7	178.8	-174.7	0	0	0	0	109	I499 T500 Y563 L588	I499-V595 HydrophobicContact CD1-CG1 3.81Å; I499-V595 HydrophobicContact CG1-CB 4.15Å; I499-V595 HydrophobicContact CG1-CG1 3.77Å; I499-V595 WeakPolarHBondContact CG1-O 3.46Å; I499-V595 PolarHBondContact N-O 3.36Å; T500-V595 PolarHBondContact N-O 3.11Å; T500-V595 PolarHBondContact OG1-N 2.92Å; Y563-V595 HydrophobicContact CE1-CG2 4.46Å; Y563-V595 HydrophobicContact CE2-CG1 4.37Å; Y563-V595 HydrophobicContact CE2-CG2 4.08Å; Y563-V595 WeakPolarHBondContact OH-CG2 3.48Å; L588-V595 HydrophobicContact CD2-CG2 3.74Å
596	K	87	Confident	71.1	Confident	131 Å²	131	70.7 Å²	70.7	57%	0.57	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.2	179.3	-62.8	-178.4	-178	179	0	110.5	M497	M497-K596 WeakPolarHBondContact O-CA 3.34Å
597	I	86.1	Confident	68.8	Low	12 Å²	12	71.8 Å²	71.8	6%	0.062	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149	172.3	63	169.9	0	0	0	110.6	S496 M497 I499 V554 S557 M599	S496-I597 WeakPolarHBondContact CA-O 3.39Å; M497-I597 PolarHBondContact N-O 2.93Å; M497-I597 PolarHBondContact O-N 3.37Å; I499-I597 HydrophobicContact CB-CG1 4.47Å; I499-I597 HydrophobicContact CD1-CB 4.4Å; I499-I597 HydrophobicContact CD1-CD1 4.02Å; I499-I597 HydrophobicContact CD1-CG1 4.08Å; I499-I597 HydrophobicContact CD1-CG2 3.47Å; I499-I597 VanDerWaalsContact CD1-CG2 3.47Å; I499-I597 HydrophobicContact CG1-CD1 4.5Å; I499-I597 HydrophobicContact CG1-CG1 4.14Å; I499-I597 HydrophobicContact CG1-CG2 3.99Å; I499-I597 HydrophobicContact CG2-CD1 3.74Å; I499-I597 HydrophobicContact CG2-CG1 3.57Å; V554-I597 HydrophobicContact CG2-CD1 3.92Å; S557-I597 WeakPolarHBondContact OG-CG2 3.35Å; I597-M599 HydrophobicContact CD1-CE 3.47Å; I597-M599 VanDerWaalsContact CD1-CE 3.47Å; I597-M599 HydrophobicContact CD1-CG 3.66Å; I597-M599 HydrophobicContact CD1-SD 3.41Å; I597-M599 WeakPolarHBondContact CD1-SD 3.4Å; I597-M599 HydrophobicContact CG1-CE 3.85Å; I597-M599 HydrophobicContact CG1-CG 4Å; I597-M599 HydrophobicContact CG1-SD 4.22Å
598	N	84.1	Confident	66.6	Low	52 Å²	52	74 Å²	74	28%	0.278	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.9	173.5	-65.2	-22.1	0	0	0	108	V460 D461 Y494 S496	V460-N598 HydrophobicContact CG2-CB 3.81Å; V460-N598 WeakPolarHBondContact CG2-O 3.37Å; D461-N598 PolarHBondContact OD2-ND2 3.28Å; Y494-N598 HydrophobicContact CD2-CB 4.05Å; S496-N598 WeakPolarHBondContact CB-OD1 3.42Å; S496-N598 PolarHBondContact OG-OD1 2.94Å; S496-N598 VanDerWaalsContact OG-OD1 3.06Å
599	M	76.2	Confident	64.3	Low	16 Å²	16	77.3 Å²	77.3	8%	0.079	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.2	179.7	-69.7	-168.5	-75.2	0	0	110.7	Y494 T495 M497 I499 Q550 A553 I597	Y494-M599 CarbonylContact C-O 3.36Å; Y494-M599 WeakPolarHBondContact CA-O 3.4Å; T495-M599 PolarHBondContact N-O 3.49Å; T495-M599 PolarHBondContact O-N 3.35Å; T495-M599 PolarHBondContact OG1-O 2.91Å; M497-M599 HydrophobicContact CB-CE 3.95Å; M497-M599 HydrophobicContact CG-CE 4.23Å; M497-M599 HydrophobicContact SD-CE 3.44Å; M497-M599 WeakPolarHBondContact SD-CE 3.24Å; I499-M599 HydrophobicContact CG2-CE 4.42Å; Q550-M599 HydrophobicContact CG-SD 4.4Å; A553-M599 HydrophobicContact CB-SD 4.22Å; I597-M599 HydrophobicContact CD1-CE 3.47Å; I597-M599 VanDerWaalsContact CD1-CE 3.47Å; I597-M599 HydrophobicContact CD1-CG 3.66Å; I597-M599 HydrophobicContact CD1-SD 3.41Å; I597-M599 WeakPolarHBondContact CD1-SD 3.4Å; I597-M599 HydrophobicContact CG1-CE 3.85Å; I597-M599 HydrophobicContact CG1-CG 4Å; I597-M599 HydrophobicContact CG1-SD 4.22Å
600	W	67.3	Low	61.7	Low	66 Å²	66	79.3 Å²	79.3	25%	0.25	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-71.2	142.4	165.8	-82	76.9	0	0	0	110.5	H490 D604	H490-W600 HydrophobicContact CB-CH2 3.49Å; H490-W600 VanDerWaalsContact CB-CH2 3.49Å; H490-W600 HydrophobicContact CB-CZ2 3.62Å; H490-W600 AromaticContact CD2-CH2 3.78Å; H490-W600 AromaticContact CG-CH2 3.59Å; H490-W600 AromaticContact CG-CZ2 3.95Å; W600-D604 HydrophobicContact CE3-CB 4.03Å; W600-D604 HydrophobicContact CZ3-CB 4.16Å
601	P	58.3	Low	59.1	Low	53 Å²	53	78.4 Å²	78.4	34%	0.344	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.2	175.2	24.3	-28.7	0	0	0	110.7	G493 G603 D604	G493-P601 WeakPolarHBondContact O-CD 3.44Å; P601-G603 PolarHBondContact O-N 3.29Å; P601-G603 VanDerWaalsContact O-N 3.16Å; P601-D604 PolarHBondContact O-N 2.95Å
602	A	45.7	Very low	56.7	Low	85 Å²	85	75 Å²	75	70%	0.702	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	117.4	-178.1	0	0	0	0	0	110.8
603	G	45.6	Very low	54.2	Low	80 Å²	80	74.9 Å²	74.9	83%	0.825	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	122	-24.3	178	0	0	0	0	0	114.7	P601	P601-G603 PolarHBondContact O-N 3.29Å; P601-G603 VanDerWaalsContact O-N 3.16Å
604	D	37.5	Very low	51.4	Low	95 Å²	95	76.3 Å²	76.3	51%	0.508	49%	0.492	S	S	.	.			trans	-115.2	79.5	176	-76.7	-34.5	0	0	0	109.3	W600 P601	W600-D604 HydrophobicContact CE3-CB 4.03Å; W600-D604 HydrophobicContact CZ3-CB 4.16Å; P601-D604 PolarHBondContact O-N 2.95Å
605	G	38.9	Very low	48.6	Very low	38 Å²	38	81.9 Å²	81.9	39%	0.392	51%	0.509	S	S	.	.	S	Bend	trans	-67	171.7	151.2	0	0	0	0	0	109.1	S607	G605-S607 PolarHBondContact O-N 3.12Å
606	P	39.7	Very low	45.8	Very low	36 Å²	36	85.4 Å²	85.4	23%	0.234	55%	0.546	C	S	.	.			trans	-63.2	86.6	168.7	27.7	-31.8	0	0	0	108.5
607	S	37.5	Very low	42.9	Very low	86 Å²	86	88.4 Å²	88.4	60%	0.601	56%	0.559	S	S	*	*			trans	-74.7	136.9	173.6	48.4	0	0	0	0	107.6	G605 V609	G605-S607 PolarHBondContact O-N 3.12Å; S607-V609 PolarHBondContact O-N 3.4Å; S607-V609 VanDerWaalsContact O-N 3.08Å
608	V	37.7	Very low	40	Very low	87 Å²	87	93 Å²	93	53%	0.527	59%	0.592	S	S	.	*			trans	-38.3	111.1	-172.8	180	0	0	0	0	112.3	K610	V608-K610 PolarHBondContact O-N 3.43Å; V608-K610 VanDerWaalsContact O-N 3.14Å
609	V	34.3	Very low	37.1	Very low	74 Å²	74	100.9 Å²	100.9	45%	0.448	62%	0.624	S	S	.	*			trans	-69.6	109.9	175.3	-179.3	0	0	0	0	109	S607	S607-V609 PolarHBondContact O-N 3.4Å; S607-V609 VanDerWaalsContact O-N 3.08Å
610	K	25.7	Very low	34.6	Very low	184 Å²	184	109.1 Å²	109.1	80%	0.8	66%	0.662	S	S	*	*			trans	-68.8	135.5	166.5	-71.5	-177.3	179.8	176.8	0	109.4	V608 A612	V608-K610 PolarHBondContact O-N 3.43Å; V608-K610 VanDerWaalsContact O-N 3.14Å; K610-A612 PolarHBondContact O-N 3.2Å
611	P	26.2	Very low	32.5	Very low	110 Å²	110	114.7 Å²	114.7	71%	0.714	69%	0.69	S	S	*	*			trans	-65.4	136.7	178.2	24.9	-30.8	0	0	0	110.8	T613	P611-T613 PolarHBondContact O-N 3.26Å
612	A	25.7	Very low	30.8	Very low	108 Å²	108	121.7 Å²	121.7	89%	0.893	72%	0.716	S	S	*	*			trans	-62.2	107.5	172.9	0	0	0	0	0	109.4	K610 G614	K610-A612 PolarHBondContact O-N 3.2Å; A612-G614 PolarHBondContact O-N 3.21Å
613	T	28	Very low	29.8	Very low	129 Å²	129	128.9 Å²	128.9	79%	0.791	73%	0.725	S	S	*	*			trans	-80.5	107.7	169.6	38.2	0	0	0	0	108.2	P611 K615	P611-T613 PolarHBondContact O-N 3.26Å; T613-K615 PolarHBondContact O-N 3.34Å
614	G	27.2	Very low	28.7	Very low	77 Å²	77	130.7 Å²	130.7	79%	0.794	72%	0.724	S	S	*	*			trans	-63.6	116	167.3	0	0	0	0	0	109.8	A612	A612-G614 PolarHBondContact O-N 3.21Å
615	K	26.7	Very low	28	Very low	198 Å²	198	132.6 Å²	132.6	86%	0.861	74%	0.739	S	S	*	*			trans	-130.6	87.4	159	-81.7	-171.3	177.6	179	0	108.8	T613	T613-K615 PolarHBondContact O-N 3.34Å
616	G	26.2	Very low	27.3	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	76%	0.763	S	S	*	*			trans	-75.7	121.2	145.9	0	0	0	0	0	107.9
617	K	26.4	Very low	26.5	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	79%	0.785	S	S	*	*			trans	-164.7	109	150.7	-107.3	175.1	-173.3	-171.1	0	110.1
618	S	24.4	Very low	25.8	Very low	107 Å²	107	144.2 Å²	144.2	75%	0.748	79%	0.794	S	S	*	*			trans	37	108	140.2	54	0	0	0	0	118.4	E620	S618-E620 PolarHBondContact O-N 3.13Å
619	K	23.2	Very low	25.2	Very low	219 Å²	219	143.8 Å²	143.8	95%	0.952	81%	0.807	S	S	*	*			trans	-59.9	121.6	149.8	-93.6	179.6	170.7	179.3	0	108.6
620	E	23.7	Very low	24.7	Very low	188 Å²	188	147.6 Å²	147.6	88%	0.879	83%	0.825	S	S	*	*			trans	-132	125.1	155.2	-139.2	174.9	-174	0	0	108	S618	S618-E620 PolarHBondContact O-N 3.13Å
621	E	23.6	Very low	24.6	Very low	183 Å²	183	143 Å²	143	86%	0.855	82%	0.817	S	S	*	*			trans	-65.6	143.2	-179.4	-64.1	170.1	129.6	0	0	111.2
622	K	23.9	Very low	24.6	Very low	201 Å²	201	146.6 Å²	146.6	87%	0.874	82%	0.823	S	S	*	*				-172.8	114.7	127.2	-102.9	160.5	-173.7	175.7	0	113.1
623	R	24	Very low	24.6	Very low	236 Å²	236	147.3 Å²	147.3	89%	0.891	82%	0.816	S	S	*	*			trans	41.2	112.9	135.2	-72	-178.9	171.5	177.8	-3.2	119.1
624	S	21.4	Very low	24.5	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	81%	0.81	S	S	*	*			trans	-59	130.5	151.5	48	0	0	0	0	112.2
625	V	24.6	Very low	24.5	Very low	135 Å²	135	151 Å²	151	82%	0.818	81%	0.812	S	S	*	*			trans	-128.4	119.2	155.5	176.6	0	0	0	0	107.1
626	Q	23.8	Very low	24.5	Very low	190 Å²	190	151.2 Å²	151.2	89%	0.888	81%	0.812	S	S	*	*			trans	-82	139.1	166.4	-75.9	171.2	-44.5	0	0	109.6
627	S	23.3	Very low	24.4	Very low	101 Å²	101	154.1 Å²	154.1	71%	0.706	81%	0.814	S	S	*	*			trans	177	105.3	146.8	59.7	0	0	0	0	106.9
628	S	22.7	Very low	24.4	Very low	113 Å²	113	154.5 Å²	154.5	79%	0.79	82%	0.816	S	S	*	*				97.4	123.3	77.2	64.9	0	0	0	0	112.6
629	G	23.6	Very low	24.4	Very low	78 Å²	78	155.6 Å²	155.6	80%	0.804	82%	0.819	S	S	*	*			trans	75.5	152.1	157.9	0	0	0	0	0	116.2
630	D	23.6	Very low	24.6	Very low	154 Å²	154	155.9 Å²	155.9	82%	0.824	81%	0.814	S	S	*	*			cis	-171.5	156	-14.9	-149	-15.1	0	0	0	105.8
631	S	24.1	Very low	24.7	Very low	88 Å²	88	154.8 Å²	154.8	62%	0.615	81%	0.813	S	S	*	*			trans	56.2	119.9	157.7	68.9	0	0	0	0	121.6
632	H	25.8	Very low	24.7	Very low	185 Å²	185	151 Å²	151	86%	0.856	81%	0.805	S	S	*	*				-177.1	137.2	101	-110.1	-77.4	0	0	0	113.8
633	V	27.1	Very low	24.9	Very low	123 Å²	123	149.5 Å²	149.5	75%	0.745	81%	0.806	S	S	*	*			trans	-92.5	135.5	176.8	173.2	0	0	0	0	109.9
634	S	25.6	Very low	25	Very low	94 Å²	94	143.2 Å²	143.2	66%	0.657	80%	0.798	S	S	*	*				156.6	126.7	123.9	-76.6	0	0	0	0	117
635	K	26.1	Very low	26	Very low	191 Å²	191	142.8 Å²	142.8	83%	0.83	79%	0.793	S	S	*	*				61.7	116.2	127.4	-65.7	177.9	178	172.4	0	122.4
636	K	27.2	Very low	26.1	Very low	202 Å²	202	145.2 Å²	145.2	88%	0.878	80%	0.795	S	S	*	*				30.8	124.8	124.4	-76.8	-179	175.1	174.4	0	118.8
637	V	25.1	Very low	27	Very low	136 Å²	136	141 Å²	141	82%	0.824	78%	0.784	S	S	*	*			trans	-141.5	126.8	132.6	177.9	0	0	0	0	110.4
638	K	25.7	Very low	27.2	Very low	204 Å²	204	143.2 Å²	143.2	89%	0.887	79%	0.787	S	S	*	*			trans	-88.4	141.8	161.8	-94.5	177.5	171.5	177	0	107.7
639	T	25.4	Very low	27.5	Very low	130 Å²	130	145.4 Å²	145.4	80%	0.798	79%	0.785	S	S	*	*			trans	-147.2	118	149.9	-30.7	0	0	0	0	110.3
640	R	25.3	Very low	27.8	Very low	224 Å²	224	147.4 Å²	147.4	85%	0.845	78%	0.782	S	S	*	*			trans	-72.9	151.3	163.2	-81.8	176	168.5	175.4	-5	108.5
641	L	26.1	Very low	28.1	Very low	165 Å²	165	149.3 Å²	149.3	86%	0.864	79%	0.786	S	S	*	*			trans	-150.4	114	139.1	-104.6	145.8	0	0	0	109.1
642	C	25.2	Very low	28.6	Very low	103 Å²	103	154.8 Å²	154.8	70%	0.696	80%	0.799	S	S	*	*			trans	-69.3	152.7	163.4	-63.3	0	0	0	0	109.3
643	L	26.5	Very low	29.1	Very low	171 Å²	171	152.7 Å²	152.7	90%	0.895	80%	0.799	S	S	*	*			trans	-168.9	112	137.6	-97.6	157.2	0	0	0	108.7
644	S	26.1	Very low	29.6	Very low	104 Å²	104	152.4 Å²	152.4	73%	0.727	80%	0.803	S	S	*	*			trans	-110.5	-177	150.4	62.3	0	0	0	0	106
645	P	42.1	Very low	30.4	Very low	108 Å²	108	160.9 Å²	160.9	70%	0.701	83%	0.832	S	S	*	*			cis	-136.9	174.7	-3.4	33.6	-12.6	0	0	0	113.5
646	Q	27.9	Very low	30.7	Very low	186 Å²	186	159.4 Å²	159.4	87%	0.869	83%	0.832	S	S	*	*				165.7	159.1	120.1	-90.5	-151.3	-23.2	0	0	114.4
647	P	43.2	Very low	30.8	Very low	101 Å²	101	157.2 Å²	157.2	66%	0.656	83%	0.83	S	S	*	*			trans	-115.5	-174.1	-150.6	43	-31.6	0	0	0	113.9
648	L	26.9	Very low	31.2	Very low	147 Å²	147	158.3 Å²	158.3	77%	0.77	83%	0.83	S	S	*	*			trans	138.3	146	159	-80.2	150.6	0	0	0	109.1
649	Q	28.1	Very low	31.5	Very low	159 Å²	159	155.6 Å²	155.6	74%	0.743	83%	0.827	S	S	*	*			cis	-168.6	145.6	-10.8	-140.1	172.5	5.5	0	0	105.4
650	T	31.1	Very low	31.9	Very low	121 Å²	121	157.3 Å²	157.3	74%	0.742	83%	0.828	S	S	*	*			trans	11.5	131.9	148.2	51.5	0	0	0	0	120.9
651	Q	30	Very low	32.3	Very low	194 Å²	194	152.8 Å²	152.8	91%	0.907	83%	0.827	S	S	*	*				-156.7	121.6	124.9	-111.9	176.4	7	0	0	112.2
652	K	33.2	Very low	32.7	Very low	202 Å²	202	151.9 Å²	151.9	88%	0.878	83%	0.825	S	S	*	*			trans	-83.5	139.6	160.9	-79.3	174.2	170.5	177.8	0	107.8
653	T	37.6	Very low	33.3	Very low	141 Å²	141	155.7 Å²	155.7	87%	0.865	84%	0.835	S	S	*	*			trans	-150.4	123.7	147.2	22.2	0	0	0	0	109.6
654	S	37	Very low	33.9	Very low	118 Å²	118	154.4 Å²	154.4	83%	0.825	83%	0.83	S	S	*	*			trans	-80.2	142.3	165.6	-47.4	0	0	0	0	109.6
655	Q	43.3	Very low	34.6	Very low	272 Å²	272	159 Å²	159	100%	1.271	84%	0.839	S	S	*	*			trans	-157	0	135.6	-109.4	-179.6	8.5	0	0	108.8

Retrieved 655 of 655 residues in 493.5 ms (Link to these results)

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