A0A060W5H4_ONCMY Loading...

Beta-1,4-galactosyltransferase

Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB , UniProt , Accession A0A060W5H4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 351 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	40.4	Very low	62.7	Low	235 Å²	235	134.5 Å²	134.5	100%	1.158	69%	0.69	S	S	*	*				0	113.3	0	-81.3	162.8	168.4	0	0	107
2	R	43.9	Very low	64.7	Low	249 Å²	249	138.5 Å²	138.5	94%	0.94	69%	0.69	S	S	*	*			trans	-85.1	116	175.8	-96.3	-180	-174.3	166.5	2.8	107.3	S4	R2-S4 PolarHBondContact O-N 3.13Å; R2-S4 VanDerWaalsContact O-N 3.12Å
3	D	50.9	Low	66.4	Low	154 Å²	154	133.5 Å²	133.5	82%	0.824	67%	0.672	S	S	*	*			trans	-62.8	111.5	173.6	-70.8	-39.3	0	0	0	109.4	V5	D3-V5 PolarHBondContact O-N 2.88Å; D3-V5 VanDerWaalsContact O-N 3.08Å
4	S	56.4	Low	67.9	Low	111 Å²	111	129 Å²	129	78%	0.776	66%	0.658	S	S	*	*			trans	-67.1	104.9	171.7	54.2	0	0	0	0	108.2	R2 N6	R2-S4 PolarHBondContact O-N 3.13Å; R2-S4 VanDerWaalsContact O-N 3.12Å; S4-N6 PolarHBondContact O-N 2.74Å
5	V	61.2	Low	69.4	Low	111 Å²	111	128.6 Å²	128.6	67%	0.673	65%	0.65	S	S	*	*			trans	-52.4	117.2	169	176.3	0	0	0	0	107.8	D3 F7	D3-V5 PolarHBondContact O-N 2.88Å; D3-V5 VanDerWaalsContact O-N 3.08Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 2.68Å
6	N	63.9	Low	70.8	Confident	108 Å²	108	127 Å²	127	58%	0.578	64%	0.643	S	S	*	*			trans	-71.3	91.3	-174.7	-160.1	-20.9	0	0	0	108.8	S4 S8 V9	S4-N6 PolarHBondContact O-N 2.74Å; N6-S8 PolarHBondContact O-N 3.1Å; N6-V9 HydrophobicContact CB-CG2 4.11Å; N6-V9 WeakPolarHBondContact O-CB 3.28Å; N6-V9 PolarHBondContact O-N 3.36Å
7	F	63.2	Low	72.1	Confident	170 Å²	170	124.1 Å²	124.1	75%	0.746	63%	0.633	S	S	*	*	H	α-helix	trans	-51.8	-27.7	-172.9	-131.6	-93.4	0	0	0	113.2	V5 H11	V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 2.68Å; F7-H11 WeakPolarHBondContact O-CB 3.29Å; F7-H11 PolarHBondContact O-N 2.91Å; F7-H11 VanDerWaalsContact O-N 3.1Å
8	S	70.9	Confident	73.3	Confident	62 Å²	62	122.7 Å²	122.7	43%	0.434	63%	0.631	S	S	.	*	H	α-helix	trans	-59.7	-42.1	172.6	169.8	0	0	0	0	113.3	N6 R12	N6-S8 PolarHBondContact O-N 3.1Å; S8-R12 WeakPolarHBondContact O-CB 3.42Å; S8-R12 VanDerWaalsContact O-CG 3.3Å; S8-R12 WeakPolarHBondContact O-CG 3.48Å; S8-R12 PolarHBondContact O-N 2.73Å; S8-R12 VanDerWaalsContact O-N 3.11Å
9	V	76.6	Confident	74.4	Confident	82 Å²	82	122.3 Å²	122.3	50%	0.497	63%	0.629	S	S	.	*	H	α-helix	trans	-72.2	-46.3	-178.4	179.6	0	0	0	0	110.1	N6 H11 R12 T13	N6-V9 HydrophobicContact CB-CG2 4.11Å; N6-V9 WeakPolarHBondContact O-CB 3.28Å; N6-V9 PolarHBondContact O-N 3.36Å; V9-H11 VanDerWaalsContact C-N 3.33Å; V9-H11 PolarHBondContact O-N 3.47Å; V9-R12 PolarHBondContact O-N 3.24Å; V9-T13 PolarHBondContact O-N 3.15Å; V9-T13 PolarHBondContact O-OG1 2.85Å
10	L	80.5	Confident	75.3	Confident	93 Å²	93	121.4 Å²	121.4	49%	0.487	63%	0.625	S	S	.	*	H	α-helix	trans	-59.8	-44.4	178.5	-175.6	63.4	0	0	0	111.6	R12 T13 C14	L10-R12 PolarHBondContact O-N 2.81Å; L10-T13 PolarHBondContact O-N 2.78Å; L10-C14 PolarHBondContact O-N 2.76Å; L10-C14 PolarHBondContact O-SG 2.68Å; L10-C14 VanDerWaalsContact O-SG 3.35Å
11	H	81.6	Confident	76	Confident	104 Å²	104	118.8 Å²	118.8	48%	0.481	62%	0.617	S	S	.	*	H	α-helix	trans	-64.6	-37.8	177.4	178.6	-102.2	0	0	0	112.8	F7 V9 K15	F7-H11 WeakPolarHBondContact O-CB 3.29Å; F7-H11 PolarHBondContact O-N 2.91Å; F7-H11 VanDerWaalsContact O-N 3.1Å; V9-H11 VanDerWaalsContact C-N 3.33Å; V9-H11 PolarHBondContact O-N 3.47Å; H11-K15 WeakPolarHBondContact CE1-CE 3.09Å; H11-K15 PolarHBondContact CE1-NZ 3.38Å; H11-K15 WeakPolarHBondContact NE2-CE 3.08Å; H11-K15 WeakPolarHBondContact O-CG 3.43Å; H11-K15 PolarHBondContact O-N 2.7Å
12	R	86.3	Confident	78.5	Confident	183 Å²	183	114.3 Å²	114.3	69%	0.691	59%	0.591	S	S	*	*	H	α-helix	trans	-65.9	-42.1	173.7	-77	176.2	173.2	-158.9	-1.6	111.9	S8 V9 L10 K15 L16	S8-R12 WeakPolarHBondContact O-CB 3.42Å; S8-R12 VanDerWaalsContact O-CG 3.3Å; S8-R12 WeakPolarHBondContact O-CG 3.48Å; S8-R12 PolarHBondContact O-N 2.73Å; S8-R12 VanDerWaalsContact O-N 3.11Å; V9-R12 PolarHBondContact O-N 3.24Å; L10-R12 PolarHBondContact O-N 2.81Å; R12-K15 PolarHBondContact O-N 3.16Å; R12-L16 PolarHBondContact O-N 2.84Å
13	T	87.1	Confident	80.8	Confident	74 Å²	74	109.2 Å²	109.2	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-65.7	-43.8	177.8	-53	0	0	0	0	111.4	V9 L10 K15 L16 V17	V9-T13 PolarHBondContact O-N 3.15Å; V9-T13 PolarHBondContact O-OG1 2.85Å; L10-T13 PolarHBondContact O-N 2.78Å; T13-K15 PolarHBondContact O-N 3.19Å; T13-L16 PolarHBondContact O-N 3.4Å; T13-V17 WeakPolarHBondContact O-CG2 3.41Å; T13-V17 PolarHBondContact O-N 2.86Å
14	C	88.1	Confident	82.7	Confident	70 Å²	70	108 Å²	108	47%	0.473	57%	0.565	S	S	.	*	H	α-helix	trans	-61.6	-42.7	175.3	-71.1	0	0	0	0	112.1	L10 L16 V17 V18	L10-C14 PolarHBondContact O-N 2.76Å; L10-C14 PolarHBondContact O-SG 2.68Å; L10-C14 VanDerWaalsContact O-SG 3.35Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.19Å; C14-V17 PolarHBondContact O-N 3.47Å; C14-V18 WeakPolarHBondContact O-CG2 3.35Å; C14-V18 PolarHBondContact O-N 2.85Å
15	K	90	Very high	84.4	Confident	123 Å²	123	108.1 Å²	108.1	54%	0.535	56%	0.556	S	S	.	*	H	α-helix	trans	-61.1	-40.5	175	-80.3	-173.1	170.8	-174.3	0	112.3	H11 R12 T13 V18 L19	H11-K15 WeakPolarHBondContact CE1-CE 3.09Å; H11-K15 PolarHBondContact CE1-NZ 3.38Å; H11-K15 WeakPolarHBondContact NE2-CE 3.08Å; H11-K15 WeakPolarHBondContact O-CG 3.43Å; H11-K15 PolarHBondContact O-N 2.7Å; R12-K15 PolarHBondContact O-N 3.16Å; T13-K15 PolarHBondContact O-N 3.19Å; K15-V18 PolarHBondContact O-N 2.9Å; K15-L19 WeakPolarHBondContact O-CG 3.38Å; K15-L19 PolarHBondContact O-N 3.36Å
16	L	92.6	Very high	85.7	Confident	103 Å²	103	104.7 Å²	104.7	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176.9	-172.5	70.1	0	0	0	111.7	R12 T13 C14 V18 L19 L20	R12-L16 PolarHBondContact O-N 2.84Å; T13-L16 PolarHBondContact O-N 3.4Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.19Å; L16-V18 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 3.23Å; L16-L20 HydrophobicContact CG-CD1 4.21Å; L16-L20 WeakPolarHBondContact O-CG 3.25Å; L16-L20 PolarHBondContact O-N 2.73Å
17	V	92.8	Very high	87	Confident	78 Å²	78	102.4 Å²	102.4	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-61.1	-44.8	177.4	172.5	0	0	0	0	111.1	T13 C14 L19 L20 C21	T13-V17 WeakPolarHBondContact O-CG2 3.41Å; T13-V17 PolarHBondContact O-N 2.86Å; C14-V17 PolarHBondContact O-N 3.47Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.5Å; V17-L20 PolarHBondContact O-N 3.45Å; V17-C21 PolarHBondContact O-N 2.81Å; V17-C21 PolarHBondContact O-SG 3.19Å
18	V	93.8	Very high	88.1	Confident	99 Å²	99	97.9 Å²	97.9	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-62.2	-41.3	177.8	173.2	0	0	0	0	111.5	C14 K15 L16 C21 F22	C14-V18 WeakPolarHBondContact O-CG2 3.35Å; C14-V18 PolarHBondContact O-N 2.85Å; K15-V18 PolarHBondContact O-N 2.9Å; L16-V18 PolarHBondContact O-N 3.13Å; V18-C21 PolarHBondContact O-N 3.2Å; V18-F22 WeakPolarHBondContact O-CB 3.32Å; V18-F22 PolarHBondContact O-N 3.08Å
19	L	94	Very high	88.9	Confident	115 Å²	115	101.3 Å²	101.3	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-41.2	175.9	-74.4	168.7	0	0	0	112.2	K15 L16 V17 F22 F23	K15-L19 WeakPolarHBondContact O-CG 3.38Å; K15-L19 PolarHBondContact O-N 3.36Å; L16-L19 PolarHBondContact O-N 3.23Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.5Å; L19-F22 PolarHBondContact O-N 3.22Å; L19-F23 WeakPolarHBondContact O-CB 3.3Å; L19-F23 PolarHBondContact O-N 3.12Å
20	L	91.8	Very high	89.5	Confident	103 Å²	103	101.8 Å²	101.8	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-40.1	176.3	-70.5	171.7	0	0	0	112	L16 V17 F23 H24	L16-L20 HydrophobicContact CG-CD1 4.21Å; L16-L20 WeakPolarHBondContact O-CG 3.25Å; L16-L20 PolarHBondContact O-N 2.73Å; V17-L20 PolarHBondContact O-N 3.45Å; L20-F23 PolarHBondContact O-N 3.29Å; L20-H24 WeakPolarHBondContact O-CB 3.23Å; L20-H24 PolarHBondContact O-N 3.06Å
21	C	89.4	Confident	89.6	Confident	67 Å²	67	104.8 Å²	104.8	45%	0.453	53%	0.529	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.9	-69.6	0	0	0	0	111.6	V17 V18 F23 H24 I25	V17-C21 PolarHBondContact O-N 2.81Å; V17-C21 PolarHBondContact O-SG 3.19Å; V18-C21 PolarHBondContact O-N 3.2Å; C21-F23 VanDerWaalsContact C-N 3.34Å; C21-F23 PolarHBondContact O-N 3.47Å; C21-H24 PolarHBondContact O-N 3.24Å; C21-I25 WeakPolarHBondContact O-CB 3.25Å; C21-I25 VanDerWaalsContact O-CG1 3.25Å; C21-I25 WeakPolarHBondContact O-CG1 3.47Å; C21-I25 PolarHBondContact O-N 3.02Å
22	F	93.4	Very high	89.5	Confident	142 Å²	142	107.2 Å²	107.2	62%	0.623	54%	0.535	S	S	*	.	H	α-helix	trans	-63.3	-41	177.4	-171.7	-93.8	0	0	0	111.9	V18 L19 I25 S26	V18-F22 WeakPolarHBondContact O-CB 3.32Å; V18-F22 PolarHBondContact O-N 3.08Å; L19-F22 PolarHBondContact O-N 3.22Å; F22-I25 PolarHBondContact O-N 3.46Å; F22-S26 WeakPolarHBondContact O-CB 3.15Å; F22-S26 PolarHBondContact O-N 3.07Å; F22-S26 PolarHBondContact O-OG 2.6Å
23	F	93.1	Very high	89.3	Confident	142 Å²	142	101.3 Å²	101.3	62%	0.623	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-46.4	174.9	-176.7	-103.9	0	0	0	111.7	L19 L20 C21 I25 S26 V27	L19-F23 WeakPolarHBondContact O-CB 3.3Å; L19-F23 PolarHBondContact O-N 3.12Å; L20-F23 PolarHBondContact O-N 3.29Å; C21-F23 VanDerWaalsContact C-N 3.34Å; C21-F23 PolarHBondContact O-N 3.47Å; F23-I25 PolarHBondContact O-N 3.36Å; F23-S26 PolarHBondContact O-N 2.8Å; F23-V27 HydrophobicContact CD1-CG2 4.3Å; F23-V27 HydrophobicContact CE1-CG2 3.93Å; F23-V27 HydrophobicContact CE2-CG2 4.21Å; F23-V27 HydrophobicContact CZ-CG2 3.88Å; F23-V27 WeakPolarHBondContact O-CG2 3.43Å; F23-V27 PolarHBondContact O-N 3.03Å
24	H	90.1	Very high	88.7	Confident	129 Å²	129	106.3 Å²	106.3	60%	0.597	53%	0.529	S	S	*	.	H	α-helix	trans	-61.3	-43.9	177.5	-175.2	-78.2	0	0	0	112.3	L20 C21 S26 V27 T28	L20-H24 WeakPolarHBondContact O-CB 3.23Å; L20-H24 PolarHBondContact O-N 3.06Å; C21-H24 PolarHBondContact O-N 3.24Å; H24-S26 VanDerWaalsContact C-N 3.34Å; H24-V27 PolarHBondContact O-N 3.26Å; H24-T28 PolarHBondContact CE1-OG1 2.81Å; H24-T28 WeakPolarHBondContact O-CB 3.46Å; H24-T28 PolarHBondContact O-N 3.04Å; H24-T28 PolarHBondContact O-OG1 3.26Å
25	I	91.5	Very high	87.8	Confident	112 Å²	112	105.4 Å²	105.4	57%	0.574	52%	0.523	S	S	*	.	H	α-helix	trans	-62.7	-43.3	176.4	-68.7	166	0	0	0	110.2	C21 F22 F23 T28 F29	C21-I25 WeakPolarHBondContact O-CB 3.25Å; C21-I25 VanDerWaalsContact O-CG1 3.25Å; C21-I25 WeakPolarHBondContact O-CG1 3.47Å; C21-I25 PolarHBondContact O-N 3.02Å; F22-I25 PolarHBondContact O-N 3.46Å; F23-I25 PolarHBondContact O-N 3.36Å; I25-T28 PolarHBondContact O-N 3.3Å; I25-F29 VanDerWaalsContact O-CB 3.3Å; I25-F29 WeakPolarHBondContact O-CB 3.44Å; I25-F29 PolarHBondContact O-N 3.36Å
26	S	89.8	Confident	86.5	Confident	39 Å²	39	103 Å²	103	27%	0.273	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-43.9	178.5	-59.7	0	0	0	0	112.2	F22 F23 H24 F29 I30	F22-S26 WeakPolarHBondContact O-CB 3.15Å; F22-S26 PolarHBondContact O-N 3.07Å; F22-S26 PolarHBondContact O-OG 2.6Å; F23-S26 PolarHBondContact O-N 2.8Å; H24-S26 VanDerWaalsContact C-N 3.34Å; S26-F29 PolarHBondContact O-N 3.43Å; S26-I30 VanDerWaalsContact O-CG1 3.26Å; S26-I30 WeakPolarHBondContact O-CG1 3.41Å; S26-I30 PolarHBondContact O-N 2.85Å
27	V	91.4	Very high	84.9	Confident	61 Å²	61	103.3 Å²	103.3	37%	0.37	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176	172.4	0	0	0	0	111	F23 H24 F29 I30 F31	F23-V27 HydrophobicContact CD1-CG2 4.3Å; F23-V27 HydrophobicContact CE1-CG2 3.93Å; F23-V27 HydrophobicContact CE2-CG2 4.21Å; F23-V27 HydrophobicContact CZ-CG2 3.88Å; F23-V27 WeakPolarHBondContact O-CG2 3.43Å; F23-V27 PolarHBondContact O-N 3.03Å; H24-V27 PolarHBondContact O-N 3.26Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 2.98Å; V27-I30 PolarHBondContact O-N 2.82Å; V27-F31 HydrophobicContact CG1-CD2 4.39Å; V27-F31 PolarHBondContact O-N 3.2Å
28	T	84.8	Confident	83.1	Confident	74 Å²	74	105 Å²	105	45%	0.454	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-41.4	177.5	-56.2	0	0	0	0	111.1	H24 I25 F31 Y32	H24-T28 PolarHBondContact CE1-OG1 2.81Å; H24-T28 WeakPolarHBondContact O-CB 3.46Å; H24-T28 PolarHBondContact O-N 3.04Å; H24-T28 PolarHBondContact O-OG1 3.26Å; I25-T28 PolarHBondContact O-N 3.3Å; T28-F31 PolarHBondContact O-N 2.87Å; T28-Y32 WeakPolarHBondContact O-CB 3.44Å; T28-Y32 PolarHBondContact O-N 3.08Å
29	F	89.1	Confident	81.3	Confident	135 Å²	135	108.4 Å²	108.4	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-64.3	-44.6	176.4	-176.6	-101.7	0	0	0	111.7	I25 S26 V27 F31 Y32 V33	I25-F29 VanDerWaalsContact O-CB 3.3Å; I25-F29 WeakPolarHBondContact O-CB 3.44Å; I25-F29 PolarHBondContact O-N 3.36Å; S26-F29 PolarHBondContact O-N 3.43Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 2.98Å; F29-F31 VanDerWaalsContact C-N 3.33Å; F29-F31 PolarHBondContact O-N 2.76Å; F29-Y32 PolarHBondContact O-N 3.17Å; F29-V33 HydrophobicContact CD1-CG2 4.14Å; F29-V33 HydrophobicContact CD2-CG2 4.45Å; F29-V33 HydrophobicContact CE1-CG2 3.77Å; F29-V33 HydrophobicContact CE2-CG2 4.11Å; F29-V33 HydrophobicContact CG-CG2 4.47Å; F29-V33 HydrophobicContact CZ-CG2 3.75Å; F29-V33 VanDerWaalsContact O-CG2 3.32Å; F29-V33 WeakPolarHBondContact O-CG2 3.31Å; F29-V33 PolarHBondContact O-N 2.04Å
30	I	87.8	Confident	79.1	Confident	91 Å²	91	109.8 Å²	109.8	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-42.9	175	-68.7	165	0	0	0	110.9	S26 V27 Y32 R34	S26-I30 VanDerWaalsContact O-CG1 3.26Å; S26-I30 WeakPolarHBondContact O-CG1 3.41Å; S26-I30 PolarHBondContact O-N 2.85Å; V27-I30 PolarHBondContact O-N 2.82Å; I30-Y32 VanDerWaalsContact C-N 3.34Å; I30-R34 WeakPolarHBondContact O-CB 3.44Å; I30-R34 WeakPolarHBondContact O-CG 3.48Å; I30-R34 PolarHBondContact O-N 3.4Å
31	F	82.3	Confident	77.1	Confident	157 Å²	157	108 Å²	108	69%	0.689	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-40.9	175.4	-112	-82.8	0	0	0	112.3	V27 T28 F29 S35	V27-F31 HydrophobicContact CG1-CD2 4.39Å; V27-F31 PolarHBondContact O-N 3.2Å; T28-F31 PolarHBondContact O-N 2.87Å; F29-F31 VanDerWaalsContact C-N 3.33Å; F29-F31 PolarHBondContact O-N 2.76Å; F31-S35 VanDerWaalsContact O-CB 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.37Å; F31-S35 PolarHBondContact O-N 2.73Å
32	Y	81.4	Confident	75.2	Confident	155 Å²	155	112.1 Å²	112.1	61%	0.608	54%	0.538	S	S	*	.	H	α-helix	trans	-66.5	-46.4	178.5	-173.1	-96.2	0	0	0	111.8	T28 F29 I30 S35 L36	T28-Y32 WeakPolarHBondContact O-CB 3.44Å; T28-Y32 PolarHBondContact O-N 3.08Å; F29-Y32 PolarHBondContact O-N 3.17Å; I30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-S35 WeakPolarHBondContact O-CB 3.21Å; Y32-S35 PolarHBondContact O-N 3.39Å; Y32-L36 HydrophobicContact CE1-CD1 4.24Å; Y32-L36 PolarHBondContact O-N 3.4Å
33	V	81.9	Confident	72.9	Confident	59 Å²	59	108.4 Å²	108.4	36%	0.358	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-44.1	177.1	173.7	0	0	0	0	110.8	F29 S35 L36 D37	F29-V33 HydrophobicContact CD1-CG2 4.14Å; F29-V33 HydrophobicContact CD2-CG2 4.45Å; F29-V33 HydrophobicContact CE1-CG2 3.77Å; F29-V33 HydrophobicContact CE2-CG2 4.11Å; F29-V33 HydrophobicContact CG-CG2 4.47Å; F29-V33 HydrophobicContact CZ-CG2 3.75Å; F29-V33 VanDerWaalsContact O-CG2 3.32Å; F29-V33 WeakPolarHBondContact O-CG2 3.31Å; F29-V33 PolarHBondContact O-N 2.04Å; V33-S35 VanDerWaalsContact C-N 3.33Å; V33-S35 PolarHBondContact O-N 3.3Å; V33-L36 WeakPolarHBondContact O-CB 3.49Å; V33-L36 PolarHBondContact O-N 3.17Å; V33-L36 VanDerWaalsContact O-N 3.11Å; V33-D37 PolarHBondContact O-N 3.01Å
34	R	74.3	Confident	70.3	Confident	179 Å²	179	110.6 Å²	110.6	68%	0.675	54%	0.543	S	S	*	.	H	α-helix	trans	-64.5	-34.9	174.7	-76.5	-173	163.7	171.7	-2.9	113.3	I30 L36 L38	I30-R34 WeakPolarHBondContact O-CB 3.44Å; I30-R34 WeakPolarHBondContact O-CG 3.48Å; I30-R34 PolarHBondContact O-N 3.4Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L38 PolarHBondContact O-N 2.81Å; R34-L38 VanDerWaalsContact O-N 3.08Å
35	S	67.8	Low	68	Low	50 Å²	50	112 Å²	112	35%	0.35	55%	0.55	S	S	.	.	H	α-helix	trans	-67.6	-32.4	173	-175.9	0	0	0	0	112	F31 Y32 V33 R39	F31-S35 VanDerWaalsContact O-CB 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.37Å; F31-S35 PolarHBondContact O-N 2.73Å; Y32-S35 WeakPolarHBondContact O-CB 3.21Å; Y32-S35 PolarHBondContact O-N 3.39Å; V33-S35 VanDerWaalsContact C-N 3.33Å; V33-S35 PolarHBondContact O-N 3.3Å; S35-R39 WeakPolarHBondContact O-CG 3.31Å; S35-R39 PolarHBondContact O-N 3.33Å
36	L	63.4	Low	65.5	Low	73 Å²	73	113.9 Å²	113.9	38%	0.382	56%	0.561	S	S	.	*	H	α-helix	trans	-70.9	-43.5	175.3	-142.7	84	0	0	0	111.5	Y32 V33 R34 L38 R39 F40	Y32-L36 HydrophobicContact CE1-CD1 4.24Å; Y32-L36 PolarHBondContact O-N 3.4Å; V33-L36 WeakPolarHBondContact O-CB 3.49Å; V33-L36 PolarHBondContact O-N 3.17Å; V33-L36 VanDerWaalsContact O-N 3.11Å; R34-L36 VanDerWaalsContact C-N 3.31Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.48Å; L36-R39 WeakPolarHBondContact O-CB 3.15Å; L36-R39 PolarHBondContact O-N 2.81Å; L36-R39 VanDerWaalsContact O-N 3.13Å; L36-F40 PolarHBondContact O-N 3.49Å
37	D	59.8	Low	62.9	Low	109 Å²	109	120.3 Å²	120.3	58%	0.583	59%	0.587	S	S	*	*	H	α-helix	trans	-61.6	-39.7	175.2	-91.6	-21.7	0	0	0	112.1	V33 R39 F40 A41	V33-D37 PolarHBondContact O-N 3.01Å; D37-R39 VanDerWaalsContact C-N 3.3Å; D37-R39 PolarHBondContact O-N 3.12Å; D37-F40 PolarHBondContact O-N 3.47Å; D37-A41 WeakPolarHBondContact O-CB 3.29Å; D37-A41 PolarHBondContact O-N 2.89Å
38	L	54.3	Low	60.2	Low	114 Å²	114	123.7 Å²	123.7	60%	0.597	61%	0.607	S	S	*	*	H	α-helix	trans	-61.5	-38.8	174	-123.6	93.2	0	0	0	111.8	R34 L36 A41 F42	R34-L38 PolarHBondContact O-N 2.81Å; R34-L38 VanDerWaalsContact O-N 3.08Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.48Å; L38-A41 PolarHBondContact O-N 2.88Å; L38-F42 WeakPolarHBondContact O-CD2 3.37Å; L38-F42 PolarHBondContact O-N 3.28Å
39	R	55.5	Low	57.6	Low	170 Å²	170	125.1 Å²	125.1	64%	0.642	63%	0.627	S	S	*	*	H	α-helix	trans	-68	-37.4	176.8	-70	172.2	-157.4	-122.5	4.4	112	S35 L36 D37 A43	S35-R39 WeakPolarHBondContact O-CG 3.31Å; S35-R39 PolarHBondContact O-N 3.33Å; L36-R39 WeakPolarHBondContact O-CB 3.15Å; L36-R39 PolarHBondContact O-N 2.81Å; L36-R39 VanDerWaalsContact O-N 3.13Å; D37-R39 VanDerWaalsContact C-N 3.3Å; D37-R39 PolarHBondContact O-N 3.12Å; R39-A43 WeakPolarHBondContact O-CB 3.42Å; R39-A43 PolarHBondContact O-N 3.03Å
40	F	49.2	Very low	54.8	Low	144 Å²	144	124.5 Å²	124.5	63%	0.632	64%	0.639	S	S	*	*	H	α-helix	trans	-70.8	-35.9	175.5	-93.4	-79.3	0	0	0	112.7	L36 D37 A43 K44	L36-F40 PolarHBondContact O-N 3.49Å; D37-F40 PolarHBondContact O-N 3.47Å; F40-A43 PolarHBondContact O-N 3.14Å; F40-K44 PolarHBondContact O-N 2.76Å
41	A	48.9	Very low	52	Low	65 Å²	65	128.9 Å²	128.9	54%	0.537	66%	0.655	S	S	.	*	H	α-helix	trans	-66.1	-39.8	173.4	0	0	0	0	0	112.1	D37 L38 K44	D37-A41 WeakPolarHBondContact O-CB 3.29Å; D37-A41 PolarHBondContact O-N 2.89Å; L38-A41 PolarHBondContact O-N 2.88Å; A41-K44 PolarHBondContact O-N 3.4Å
42	F	49.1	Very low	49.6	Very low	154 Å²	154	128.1 Å²	128.1	68%	0.675	66%	0.658	S	S	*	*	H	α-helix	trans	-67.6	-38.9	173.1	-96.5	-84.3	0	0	0	112.6	L38 K44 H45	L38-F42 WeakPolarHBondContact O-CD2 3.37Å; L38-F42 PolarHBondContact O-N 3.28Å; F42-K44 VanDerWaalsContact C-N 3.25Å; F42-K44 PolarHBondContact O-N 3.06Å; F42-H45 PolarHBondContact O-N 2.99Å
43	A	45.4	Very low	47	Very low	65 Å²	65	127.2 Å²	127.2	54%	0.537	67%	0.669	S	S	.	*	H	α-helix	trans	-66.6	-24.3	178.4	0	0	0	0	0	113.7	R39 F40	R39-A43 WeakPolarHBondContact O-CB 3.42Å; R39-A43 PolarHBondContact O-N 3.03Å; F40-A43 PolarHBondContact O-N 3.14Å
44	K	39.2	Very low	44.5	Very low	187 Å²	187	130.2 Å²	130.2	81%	0.813	69%	0.687	S	S	*	*	H	α-helix	trans	-81	-16.7	177.5	-111.7	179.7	178.7	179	0	114.1	F40 A41 F42	F40-K44 PolarHBondContact O-N 2.76Å; A41-K44 PolarHBondContact O-N 3.4Å; F42-K44 VanDerWaalsContact C-N 3.25Å; F42-K44 PolarHBondContact O-N 3.06Å
45	H	41.5	Very low	42.7	Very low	159 Å²	159	128 Å²	128	74%	0.736	70%	0.696	S	S	*	*	S	Bend	trans	-93.1	-6	-173.8	-138.5	-63.3	0	0	0	114.2	F42	F42-H45 PolarHBondContact O-N 2.99Å
46	D	39.2	Very low	40.7	Very low	152 Å²	152	132.4 Å²	132.4	81%	0.813	72%	0.716	S	S	*	*	S	Bend	trans	-103.3	10	-177.3	-103.6	-8.6	0	0	0	114.2
47	Q	35.3	Very low	39.1	Very low	174 Å²	174	133.5 Å²	133.5	81%	0.813	74%	0.735	S	S	*	*			trans	-118.4	58.7	177.2	-70.8	-168.5	-5.4	0	0	112.7
48	T	33.5	Very low	37.6	Very low	131 Å²	131	137.1 Å²	137.1	80%	0.804	75%	0.746	S	S	*	*			trans	-154.3	99.6	159.5	31.7	0	0	0	0	111.1
49	A	30.6	Very low	36.4	Very low	105 Å²	105	140.9 Å²	140.9	87%	0.868	76%	0.76	S	S	*	*			trans	145.7	113.4	156.1	0	0	0	0	0	107.1
50	S	30.2	Very low	35.1	Very low	121 Å²	121	137.7 Å²	137.7	85%	0.846	76%	0.76	S	S	*	*				-171.9	145.1	63.4	156	0	0	0	0	109.4
51	K	30	Very low	34.2	Very low	184 Å²	184	137.6 Å²	137.6	80%	0.8	77%	0.766	S	S	*	*			trans	-98.7	142.9	171.3	-84.6	178.9	169.2	-179.5	0	110.6
52	D	30.5	Very low	33.3	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	78%	0.776	S	S	*	*			trans	26.1	141.4	143.9	-49.3	-36.1	0	0	0	119.6
53	T	28.1	Very low	32.6	Very low	137 Å²	137	144.1 Å²	144.1	84%	0.84	78%	0.784	S	S	*	*				-177	156.6	61.9	-39.1	0	0	0	0	111.3
54	V	28.6	Very low	32.1	Very low	122 Å²	122	146.5 Å²	146.5	74%	0.739	80%	0.797	S	S	*	*			trans	-81.4	157.2	171.4	-177.6	0	0	0	0	110.7
55	P	36	Very low	32.2	Very low	131 Å²	131	142.8 Å²	142.8	85%	0.851	79%	0.79	S	S	*	*				-140.8	161.8	103.9	24.4	-2.7	0	0	0	116.1
56	D	27.1	Very low	32.1	Very low	144 Å²	144	142 Å²	142	77%	0.77	79%	0.791	S	S	*	*			trans	-73.5	155.9	-178	-168.4	16.3	0	0	0	114.4
57	A	28.9	Very low	31.9	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	79%	0.788	S	S	*	*			trans	171.9	126.4	137.8	0	0	0	0	0	112.8
58	F	29.4	Very low	32.3	Very low	185 Å²	185	140 Å²	140	81%	0.811	79%	0.791	S	S	*	*			trans	-59.8	145.8	165.4	-105	-113.7	0	0	0	113.5
59	E	28.1	Very low	32.6	Very low	194 Å²	194	138.7 Å²	138.7	91%	0.907	78%	0.783	S	S	*	*			trans	-157.9	141.6	132.8	-118.5	175.4	-167.6	0	0	111.8
60	T	28.5	Very low	33.3	Very low	103 Å²	103	140.1 Å²	140.1	63%	0.632	78%	0.781	S	S	*	*			trans	-100.1	144.9	179.3	37.9	0	0	0	0	108.3
61	N	29.9	Very low	34.2	Very low	141 Å²	141	140.7 Å²	140.7	75%	0.754	77%	0.773	S	S	*	*				179.2	150.3	129.1	-98.5	-28.2	0	0	0	116.6
62	H	29.9	Very low	35.5	Very low	162 Å²	162	138 Å²	138	75%	0.75	77%	0.773	S	S	*	*			trans	77.7	98.2	150.7	-73.7	-59.6	0	0	0	121.3
63	F	35.1	Very low	37.3	Very low	195 Å²	195	139.9 Å²	139.9	86%	0.855	77%	0.774	S	S	*	*			trans	-51.9	130.7	148.6	-118.4	-105.3	0	0	0	111.4	V65	F63-V65 HydrophobicContact CD1-CG2 3.97Å; F63-V65 HydrophobicContact CE1-CG2 4.23Å
64	S	33.9	Very low	40.1	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	78%	0.775	S	S	*	*			trans	-130.7	115	155.8	-38.5	0	0	0	0	107.1
65	V	41.8	Very low	43.1	Very low	109 Å²	109	140.7 Å²	140.7	66%	0.661	76%	0.763	S	S	*	*			trans	-80.1	123.9	165.8	-178.8	0	0	0	0	105.7	F63	F63-V65 HydrophobicContact CD1-CG2 3.97Å; F63-V65 HydrophobicContact CE1-CG2 4.23Å
66	D	39.2	Very low	46	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	75%	0.746	S	S	*	*				178	152.4	129.7	-87.9	-26.7	0	0	0	113.5
67	N	35.7	Very low	49.4	Very low	139 Å²	139	138.1 Å²	138.1	74%	0.743	75%	0.745	S	S	*	*			trans	83.2	84.4	170.4	-58	-25.8	0	0	0	117.3	T69	N67-T69 PolarHBondContact O-N 2.83Å
68	V	42.6	Very low	52.7	Low	145 Å²	145	133.9 Å²	133.9	88%	0.879	71%	0.71	S	S	*	*			trans	-68.8	76.2	155.8	-175.9	0	0	0	0	108.7
69	T	40.6	Very low	55.9	Low	103 Å²	103	128.3 Å²	128.3	63%	0.632	69%	0.692	S	S	*	*			trans	-73.6	124.7	147.4	-19	0	0	0	0	104.9	N67 I71	N67-T69 PolarHBondContact O-N 2.83Å; T69-I71 PolarHBondContact O-N 2.87Å
70	T	45.2	Very low	59.1	Low	135 Å²	135	124.8 Å²	124.8	83%	0.828	68%	0.679	S	S	*	*			trans	-65.5	74.9	168.6	18	0	0	0	0	109	T72	T70-T72 PolarHBondContact O-N 2.85Å; T70-T72 VanDerWaalsContact O-N 3.13Å
71	I	49.5	Very low	62.4	Low	132 Å²	132	125.1 Å²	125.1	68%	0.677	68%	0.681	S	S	*	*			trans	-66.6	105.2	162.5	-59.4	172.3	0	0	0	103.4	T69 K73	T69-I71 PolarHBondContact O-N 2.87Å; I71-K73 PolarHBondContact O-N 2.88Å
72	T	57.7	Low	65.6	Low	129 Å²	129	119 Å²	119	79%	0.791	65%	0.65	S	S	*	*			trans	-59.1	90	157.2	44.2	0	0	0	0	105.8	T70 E74	T70-T72 PolarHBondContact O-N 2.85Å; T70-T72 VanDerWaalsContact O-N 3.13Å; T72-E74 PolarHBondContact O-N 2.84Å
73	K	68.4	Low	68.9	Low	178 Å²	178	116.3 Å²	116.3	77%	0.774	65%	0.646	S	S	*	*			trans	-58.8	106.4	179.8	-172.4	175.6	-177.8	179	0	106.1	I71 L75	I71-K73 PolarHBondContact O-N 2.88Å; K73-L75 PolarHBondContact O-N 2.87Å; K73-L75 VanDerWaalsContact O-N 3.1Å
74	E	85.6	Confident	71.9	Confident	186 Å²	186	111.3 Å²	111.3	87%	0.869	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-55.8	121	174.5	-74.9	-165.7	155.6	0	0	107.6	T72 G76	T72-E74 PolarHBondContact O-N 2.84Å; E74-G76 PolarHBondContact O-N 3.42Å
75	L	92.1	Very high	75	Confident	91 Å²	91	107.6 Å²	107.6	48%	0.476	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-66.6	128	-178.5	-70.8	168.1	0	0	0	108.7	K73 R118 V121	K73-L75 PolarHBondContact O-N 2.87Å; K73-L75 VanDerWaalsContact O-N 3.1Å; L75-R118 VanDerWaalsContact CD1-O 3.29Å; L75-R118 WeakPolarHBondContact CD1-O 3.43Å; L75-V121 HydrophobicContact CB-CG2 3.99Å
76	G	96.7	Very high	77.7	Confident	49 Å²	49	107 Å²	107	51%	0.505	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-63	162.7	170.4	0	0	0	0	0	111.8	E74 C120 V121	E74-G76 PolarHBondContact O-N 3.42Å; G76-C120 CarbonylContact O-C 3.59Å; G76-C120 VanDerWaalsContact O-CA 3.25Å; G76-C120 WeakPolarHBondContact O-CA 3.27Å; G76-C120 WeakPolarHBondContact O-CB 3.3Å; G76-V121 PolarHBondContact O-N 3.36Å
77	K	98.1	Very high	80.5	Confident	172 Å²	172	100.4 Å²	100.4	75%	0.748	56%	0.561	S	S	*	*	B	Isolated β-bridge	trans	-66.7	145.8	172.1	-67.8	-175.1	-179.2	179	0	110.6	V121 L123	K77-V121 CarbonylContact C-O 3.59Å; K77-V121 WeakPolarHBondContact CA-O 3.29Å; K77-L123 HydrophobicContact CB-CD2 3.98Å; K77-L123 HydrophobicContact CD-CD2 4.12Å; K77-L123 HydrophobicContact CG-CD2 4.49Å
78	C	98.3	Very high	83.5	Confident	6 Å²	6	98.3 Å²	98.3	4%	0.041	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-62.3	148.8	170.5	-56	0	0	0	0	110	C120 V121 L123 Q154	C78-C120 WeakPolarHBondContact CA-SG 3.39Å; C78-C120 HydrophobicContact CB-CB 3.93Å; C78-C120 WeakPolarHBondContact CB-SG 3.47Å; C78-C120 VanDerWaalsContact SG-C 3.59Å; C78-C120 WeakPolarHBondContact SG-CB 3.32Å; C78-C120 CovalentContact SG-SG 2.04Å; C78-C120 PolarHBondContact SG-SG 3.11Å; C78-V121 PolarHBondContact N-O 2.89Å; C78-V121 PolarHBondContact SG-O 3.2Å; C78-V121 VanDerWaalsContact SG-O 3.4Å; C78-L123 WeakPolarHBondContact O-CD2 3.33Å; C78-L123 WeakPolarHBondContact O-CG 3.49Å; C78-Q154 HydrophobicContact CB-CB 4.29Å
79	P	97.8	Very high	86.2	Confident	67 Å²	67	93.3 Å²	93.3	44%	0.435	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-65.8	154.3	178.4	27.8	-34.3	0	0	0	111.8	T81	P79-T81 VanDerWaalsContact C-N 3.27Å; P79-T81 PolarHBondContact O-N 2.79Å
80	D	95.3	Very high	88.9	Confident	121 Å²	121	97.9 Å²	97.9	65%	0.647	53%	0.529	S	S	*	.	S	Bend	trans	-59.1	-37.6	179.5	-85.2	-38	0	0	0	113.3	L123 R209	D80-L123 VanDerWaalsContact OD1-CD1 3.29Å; D80-L123 WeakPolarHBondContact OD1-CD1 3.38Å; D80-R209 PolarHBondContact O-NH2 2.86Å
81	T	96.9	Very high	91.4	Very high	110 Å²	110	91.6 Å²	91.6	68%	0.675	49%	0.49	S	S	*	.	S	Bend	trans	-111.1	117.6	169.4	-58.6	0	0	0	0	107.6	P79 L85	P79-T81 VanDerWaalsContact C-N 3.27Å; P79-T81 PolarHBondContact O-N 2.79Å; T81-L85 HydrophobicContact CG2-CD1 4.17Å
82	S	98.4	Very high	93.6	Very high	13 Å²	13	88.3 Å²	88.3	9%	0.091	47%	0.472	C	S	.	.			trans	-62.2	134.7	177.8	168.6	0	0	0	0	111	L84 L85 R152 Q154	S82-L84 PolarHBondContact O-N 3.21Å; S82-L84 WeakPolarHBondContact OG-CB 3.35Å; S82-L84 PolarHBondContact OG-N 3.03Å; S82-L85 WeakPolarHBondContact O-CG 3.35Å; S82-R152 WeakPolarHBondContact CB-O 3.48Å; S82-R152 PolarHBondContact OG-O 3.26Å; S82-Q154 PolarHBondContact OG-OE1 3.06Å
83	P	98.1	Very high	95.4	Very high	104 Å²	104	84.6 Å²	84.6	68%	0.675	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-5.6	174.3	33.7	-36.1	0	0	0	112.5
84	L	98.4	Very high	96.4	Very high	90 Å²	90	80.2 Å²	80.2	47%	0.471	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.3	-176.5	-51.2	177.7	0	0	0	113.2	S82 R152 Q154	S82-L84 PolarHBondContact O-N 3.21Å; S82-L84 WeakPolarHBondContact OG-CB 3.35Å; S82-L84 PolarHBondContact OG-N 3.03Å; L84-R152 HydrophobicContact CB-CB 4.11Å; L84-R152 HydrophobicContact CB-CG 4.27Å; L84-R152 VanDerWaalsContact O-CD 3.28Å; L84-R152 WeakPolarHBondContact O-CD 3.34Å; L84-Q154 HydrophobicContact CD1-CG 3.93Å
85	L	98.6	Very high	96.7	Very high	38 Å²	38	76.6 Å²	76.6	20%	0.199	42%	0.424	C	S	.	.			trans	-66.9	138.5	-177.4	-58.8	178.1	0	0	0	110.9	T81 S82 R152 Q153 D204 R205	T81-L85 HydrophobicContact CG2-CD1 4.17Å; S82-L85 WeakPolarHBondContact O-CG 3.35Å; L85-R152 HydrophobicContact CD2-CB 4.43Å; L85-Q153 HydrophobicContact CD2-CG 3.84Å; L85-D204 HydrophobicContact CD2-CB 4.32Å; L85-D204 WeakPolarHBondContact CD2-O 3.09Å; L85-R205 HydrophobicContact CB-CG 4.49Å; L85-R205 HydrophobicContact CD1-CG 4.29Å
86	V	98.6	Very high	96.8	Very high	96 Å²	96	77.8 Å²	77.8	58%	0.582	44%	0.436	S	S	*	.			trans	-107.4	-8.8	179.7	-56.8	0	0	0	0	113.2	L89 D204	V86-L89 HydrophobicContact CG2-CD2 3.53Å; V86-D204 WeakPolarHBondContact CG2-OD2 3.15Å; V86-D204 PolarHBondContact N-OD1 2.91Å; V86-D204 VanDerWaalsContact N-OD1 3.09Å; V86-D204 PolarHBondContact N-OD2 3.16Å
87	G	98.4	Very high	96.8	Very high	4 Å²	4	76.6 Å²	76.6	4%	0.041	42%	0.418	C	S	.	.			trans	83.7	-136.6	179.9	0	0	0	0	0	112.7	D203 D204	G87-D203 WeakPolarHBondContact CA-OD1 3.41Å; G87-D203 WeakPolarHBondContact O-CA 3.34Å; G87-D204 WeakPolarHBondContact CA-OD1 3.16Å; G87-D204 PolarHBondContact N-OD1 2.83Å; G87-D204 PolarHBondContact O-N 2.99Å; G87-D204 VanDerWaalsContact O-N 3.15Å
88	P	98.4	Very high	96.7	Very high	96 Å²	96	71 Å²	71	62%	0.623	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-59.4	139	-175.9	-24.4	34.6	0	0	0	113.7	M202	P88-M202 CarbonylContact C-O 3.48Å; P88-M202 WeakPolarHBondContact CA-O 3.48Å
89	L	98.2	Very high	96.7	Very high	40 Å²	40	72.2 Å²	72.2	21%	0.209	41%	0.407	C	S	.	.			trans	-121.6	141.4	-177.7	-58.3	174.3	0	0	0	110.8	V86 I91 I149 M202 D204	V86-L89 HydrophobicContact CG2-CD2 3.53Å; L89-I91 HydrophobicContact CB-CD1 3.9Å; L89-I91 PolarHBondContact O-N 3.4Å; L89-I149 HydrophobicContact CD1-CD1 3.43Å; L89-I149 VanDerWaalsContact CD1-CD1 3.43Å; L89-I149 HydrophobicContact CD1-CG1 3.63Å; L89-M202 PolarHBondContact N-O 2.79Å; L89-D204 HydrophobicContact CD1-CB 4.29Å
90	R	97.5	Very high	96.7	Very high	199 Å²	199	74.4 Å²	74.4	75%	0.751	42%	0.415	S	S	*	.			trans	-84.5	110.8	169.7	-175.6	175.9	178	-179.2	-5.5	108.9	E92	R90-E92 HydrophobicContact CG-CG 4.2Å; R90-E92 IonicContact CZ-OE1 3.2Å; R90-E92 IonicContact NE-OE1 3.94Å; R90-E92 PolarHBondContact NE-OE1 3.12Å; R90-E92 IonicContact NE-OE2 2.65Å; R90-E92 IonicContact NH2-OE1 3.8Å; R90-E92 PolarHBondContact NH2-OE1 2.84Å; R90-E92 IonicContact NH2-OE2 3.23Å
91	I	97.8	Very high	96.7	Very high	2 Å²	2	72 Å²	72	1%	0.01	40%	0.404	C	S	.	.			trans	-103.7	123.4	179.8	-53.5	-53.8	0	0	0	109	L89 F93 Y145 I200 M202 R287	L89-I91 HydrophobicContact CB-CD1 3.9Å; L89-I91 PolarHBondContact O-N 3.4Å; I91-F93 HydrophobicContact CG2-CE1 3.58Å; I91-F93 HydrophobicContact CG2-CZ 3.57Å; I91-Y145 HydrophobicContact CD1-CD1 3.57Å; I91-Y145 HydrophobicContact CD1-CE1 3.74Å; I91-Y145 HydrophobicContact CD1-CG 4.16Å; I91-Y145 HydrophobicContact CG2-CD2 4.23Å; I91-Y145 HydrophobicContact CG2-CE1 4.36Å; I91-Y145 HydrophobicContact CG2-CE2 3.92Å; I91-I200 HydrophobicContact CD1-CG2 3.8Å; I91-I200 HydrophobicContact CG1-CG2 4.06Å; I91-I200 HydrophobicContact CG2-CB 3.92Å; I91-I200 HydrophobicContact CG2-CG1 4.41Å; I91-I200 HydrophobicContact CG2-CG2 3.72Å; I91-M202 HydrophobicContact CG1-CB 4.48Å; I91-M202 HydrophobicContact CG1-CG 4.02Å; I91-R287 HydrophobicContact CB-CB 4.32Å; I91-R287 HydrophobicContact CG2-CB 4.12Å; I91-R287 VanDerWaalsContact O-CD 3.3Å; I91-R287 WeakPolarHBondContact O-CD 3.29Å; I91-R287 PolarHBondContact O-NH1 3.37Å
92	E	95.8	Very high	96.8	Very high	64 Å²	64	66.8 Å²	66.8	30%	0.299	37%	0.372	S	S	.	.			trans	-135	152.1	178.5	-61.1	-170.1	156.4	0	0	112.5	R90 Y145	R90-E92 HydrophobicContact CG-CG 4.2Å; R90-E92 IonicContact CZ-OE1 3.2Å; R90-E92 IonicContact NE-OE1 3.94Å; R90-E92 PolarHBondContact NE-OE1 3.12Å; R90-E92 IonicContact NE-OE2 2.65Å; R90-E92 IonicContact NH2-OE1 3.8Å; R90-E92 PolarHBondContact NH2-OE1 2.84Å; R90-E92 IonicContact NH2-OE2 3.23Å; E92-Y145 PolarHBondContact N-OH 3.3Å; E92-Y145 PolarHBondContact O-OH 3.47Å
93	F	95.7	Very high	96.8	Very high	50 Å²	50	68.9 Å²	68.9	22%	0.219	38%	0.378	C	S	.	.			trans	-124.1	17.3	-175.6	-48.8	-53.2	0	0	0	112.9	I91 F141 Y145 I200 R287 M288 I289	I91-F93 HydrophobicContact CG2-CE1 3.58Å; I91-F93 HydrophobicContact CG2-CZ 3.57Å; F93-F141 HydrophobicContact CB-CE1 4.36Å; F93-F141 HydrophobicContact CB-CE2 4.46Å; F93-F141 HydrophobicContact CB-CZ 4.17Å; F93-F141 AromaticContact CD1-CD1 3.94Å; F93-F141 HydrophobicContact CD1-CD1 3.94Å; F93-F141 HydrophobicContact CD1-CE1 4.26Å; F93-F141 HydrophobicContact CD1-CG 4.09Å; F93-Y145 HydrophobicContact CD1-CE2 4.34Å; F93-Y145 HydrophobicContact CE1-CE2 4.11Å; F93-I200 HydrophobicContact CE1-CG1 3.92Å; F93-I200 HydrophobicContact CZ-CG1 4.06Å; F93-R287 HydrophobicContact CE2-CB 4.2Å; F93-R287 HydrophobicContact CE2-CG 3.84Å; F93-R287 HydrophobicContact CZ-CB 4.08Å; F93-R287 HydrophobicContact CZ-CG 4.21Å; F93-M288 WeakPolarHBondContact CE2-O 3.25Å; F93-I289 HydrophobicContact CD1-CD1 4.46Å; F93-I289 HydrophobicContact CD1-CG1 3.88Å; F93-I289 HydrophobicContact CD2-CG1 4.35Å; F93-I289 HydrophobicContact CE1-CD1 4.23Å; F93-I289 HydrophobicContact CE1-CG1 3.56Å; F93-I289 HydrophobicContact CE2-CG1 4.05Å; F93-I289 HydrophobicContact CG-CG1 4.27Å; F93-I289 HydrophobicContact CZ-CG1 3.63Å
94	S	90.8	Very high	96.8	Very high	86 Å²	86	72.5 Å²	72.5	60%	0.601	38%	0.384	S	S	*	.	S	Bend	trans	-80.4	-27.6	-174.9	43.5	0	0	0	0	113.7
95	N	91.5	Very high	96.7	Very high	111 Å²	111	73.7 Å²	73.7	59%	0.594	39%	0.386	S	S	*	.	S	Bend	trans	-106.7	136.5	-174.4	-63	-31.6	0	0	0	110.8	F141	N95-F141 VanDerWaalsContact O-CE1 3.27Å; N95-F141 WeakPolarHBondContact O-CE1 3.37Å; N95-F141 WeakPolarHBondContact O-CZ 3.09Å
96	P	92.9	Very high	96.7	Very high	115 Å²	115	72.1 Å²	72.1	75%	0.747	38%	0.378	S	S	*	.			trans	-64.2	146.5	175	28.5	-34.4	0	0	0	110.8
97	I	96.3	Very high	96.7	Very high	25 Å²	25	71.6 Å²	71.6	13%	0.128	38%	0.377	C	S	.	.			trans	-105.1	130.3	-179	-59.1	-57.9	0	0	0	110.1	V102 K140 F141 Y144	I97-V102 HydrophobicContact CG2-CG2 3.72Å; I97-K140 HydrophobicContact CB-CB 3.96Å; I97-K140 HydrophobicContact CG2-CB 4.06Å; I97-F141 HydrophobicContact CD1-CD1 4.04Å; I97-F141 HydrophobicContact CD1-CE1 3.89Å; I97-F141 HydrophobicContact CG1-CD1 3.49Å; I97-F141 VanDerWaalsContact CG1-CD1 3.49Å; I97-F141 HydrophobicContact CG1-CE1 3.52Å; I97-F141 HydrophobicContact CG1-CG 4.1Å; I97-F141 HydrophobicContact CG1-CZ 4.15Å; I97-Y144 HydrophobicContact CD1-CD1 3.93Å; I97-Y144 HydrophobicContact CD1-CD2 4.21Å; I97-Y144 HydrophobicContact CD1-CE1 4.27Å; I97-Y144 HydrophobicContact CD1-CG 3.9Å; I97-Y144 HydrophobicContact CG1-CG 4.47Å; I97-Y144 HydrophobicContact CG2-CG 4.35Å
98	S	97.1	Very high	96.6	Very high	54 Å²	54	74.4 Å²	74.4	38%	0.378	39%	0.391	S	S	.	.			trans	-96.6	123.7	169.3	173.7	0	0	0	0	110.5	D100 V101 V102	S98-D100 PolarHBondContact O-N 3.47Å; S98-D100 PolarHBondContact OG-N 3.33Å; S98-V101 WeakPolarHBondContact O-CB 3.41Å; S98-V101 PolarHBondContact O-N 2.98Å; S98-V102 WeakPolarHBondContact O-CG2 3.49Å; S98-V102 PolarHBondContact O-N 2.86Å
99	L	97.6	Very high	96.5	Very high	31 Å²	31	70 Å²	70	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-26.5	177.1	-66.4	-176.2	0	0	0	112.6	V101 V102 R103 K140 L143 L334	L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 PolarHBondContact O-N 2.55Å; L99-V102 PolarHBondContact O-N 3.3Å; L99-R103 VanDerWaalsContact O-CG 3.3Å; L99-R103 WeakPolarHBondContact O-CG 3.49Å; L99-R103 PolarHBondContact O-N 3Å; L99-K140 HydrophobicContact CD1-CG 4.39Å; L99-K140 HydrophobicContact CD2-CB 4.17Å; L99-K140 HydrophobicContact CD2-CG 3.78Å; L99-K140 HydrophobicContact CG-CG 3.98Å; L99-L143 HydrophobicContact CD2-CD1 4.02Å; L99-L334 HydrophobicContact CB-CD1 4.21Å; L99-L334 HydrophobicContact CD2-CD1 3.84Å; L99-L334 HydrophobicContact CG-CD1 4.5Å
100	D	97.8	Very high	96.5	Very high	113 Å²	113	74.2 Å²	74.2	60%	0.604	38%	0.379	S	S	*	.	H	α-helix	trans	-66.3	-37.1	175.8	-64.1	-30.8	0	0	0	111.7	S98 R103 K104	S98-D100 PolarHBondContact O-N 3.47Å; S98-D100 PolarHBondContact OG-N 3.33Å; D100-R103 PolarHBondContact O-N 3.3Å; D100-R103 IonicContact OD1-CZ 3.27Å; D100-R103 IonicContact OD1-NH1 3.55Å; D100-R103 PolarHBondContact OD1-NH1 3Å; D100-K104 WeakPolarHBondContact O-CB 3.45Å; D100-K104 PolarHBondContact O-N 3.29Å
101	V	96.6	Very high	96.5	Very high	71 Å²	71	69.8 Å²	69.8	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-46.3	173	177.1	0	0	0	0	109.9	S98 L99 R103 K104 E105	S98-V101 WeakPolarHBondContact O-CB 3.41Å; S98-V101 PolarHBondContact O-N 2.98Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 PolarHBondContact O-N 2.55Å; V101-R103 VanDerWaalsContact C-N 3.3Å; V101-R103 PolarHBondContact O-N 3.03Å; V101-K104 PolarHBondContact O-N 3.34Å; V101-K104 VanDerWaalsContact O-N 3.13Å; V101-E105 HydrophobicContact CG1-CG 4.25Å; V101-E105 WeakPolarHBondContact O-CG 3.29Å; V101-E105 PolarHBondContact O-N 3.21Å
102	V	98.1	Very high	96.5	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-57.7	-43.6	177.3	-177.3	0	0	0	0	111.2	I97 S98 L99 E105 N106 Y144 L334	I97-V102 HydrophobicContact CG2-CG2 3.72Å; S98-V102 WeakPolarHBondContact O-CG2 3.49Å; S98-V102 PolarHBondContact O-N 2.86Å; L99-V102 PolarHBondContact O-N 3.3Å; V102-E105 PolarHBondContact O-N 3.06Å; V102-N106 WeakPolarHBondContact O-CB 3.45Å; V102-N106 PolarHBondContact O-N 3.31Å; V102-N106 VanDerWaalsContact O-N 3.12Å; V102-N106 PolarHBondContact O-ND2 2.97Å; V102-Y144 HydrophobicContact CG2-CD2 4.09Å; V102-L334 HydrophobicContact CB-CD1 3.94Å; V102-L334 HydrophobicContact CG1-CD1 3.75Å; V102-L334 HydrophobicContact CG1-CD2 3.9Å; V102-L334 HydrophobicContact CG1-CG 4.48Å
103	R	98.3	Very high	96.6	Very high	57 Å²	57	66.7 Å²	66.7	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-46.9	175.5	-73	-178.8	-160	106.5	-5.2	111.9	L99 D100 V101 E105 N106 D332 Q333 L334	L99-R103 VanDerWaalsContact O-CG 3.3Å; L99-R103 WeakPolarHBondContact O-CG 3.49Å; L99-R103 PolarHBondContact O-N 3Å; D100-R103 PolarHBondContact O-N 3.3Å; D100-R103 IonicContact OD1-CZ 3.27Å; D100-R103 IonicContact OD1-NH1 3.55Å; D100-R103 PolarHBondContact OD1-NH1 3Å; V101-R103 VanDerWaalsContact C-N 3.3Å; V101-R103 PolarHBondContact O-N 3.03Å; R103-E105 PolarHBondContact O-N 3.32Å; R103-N106 CarbonylContact O-C 3.52Å; R103-N106 PolarHBondContact O-N 3.11Å; R103-D332 IonicContact CZ-OD1 3.79Å; R103-D332 IonicContact CZ-OD2 3.17Å; R103-D332 IonicContact NE-OD1 2.68Å; R103-D332 PolarHBondContact NE-OD1 3.45Å; R103-D332 IonicContact NE-OD2 2.61Å; R103-D332 PolarHBondContact NE-OD2 2.91Å; R103-D332 IonicContact NH2-OD1 2.7Å; R103-D332 IonicContact NH2-OD2 3.43Å; R103-D332 PolarHBondContact NH2-OD2 3.01Å; R103-Q333 HydrophobicContact CG-CB 4.31Å; R103-L334 HydrophobicContact CG-CD1 3.89Å; R103-L334 HydrophobicContact CG-CD2 3.82Å; R103-L334 HydrophobicContact CG-CG 3.72Å
104	K	98	Very high	96.8	Very high	180 Å²	180	66.8 Å²	66.8	78%	0.783	36%	0.355	S	S	*	.	H	α-helix	trans	-63.4	-39.2	180	-175.6	177.7	177.5	-177.7	0	112.6	D100 V101 N106	D100-K104 WeakPolarHBondContact O-CB 3.45Å; D100-K104 PolarHBondContact O-N 3.29Å; V101-K104 PolarHBondContact O-N 3.34Å; V101-K104 VanDerWaalsContact O-N 3.13Å; K104-N106 VanDerWaalsContact C-N 3.28Å; K104-N106 PolarHBondContact O-N 2.89Å
105	E	97.7	Very high	97.2	Very high	114 Å²	114	63.7 Å²	63.7	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-76.5	-15.6	178.9	-70.1	-179.6	171.5	0	0	113.2	V101 V102 R103 P107	V101-E105 HydrophobicContact CG1-CG 4.25Å; V101-E105 WeakPolarHBondContact O-CG 3.29Å; V101-E105 PolarHBondContact O-N 3.21Å; V102-E105 PolarHBondContact O-N 3.06Å; R103-E105 PolarHBondContact O-N 3.32Å; E105-P107 VanDerWaalsContact O-CD 3.32Å; E105-P107 WeakPolarHBondContact O-CD 3.35Å
106	N	98.2	Very high	97.5	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.032	33%	0.332	C	S	.	.			trans	-121.7	58.2	-179.9	-63.3	-86.8	0	0	0	112.1	V102 R103 K104 N108 L109 Q151	V102-N106 WeakPolarHBondContact O-CB 3.45Å; V102-N106 PolarHBondContact O-N 3.31Å; V102-N106 VanDerWaalsContact O-N 3.12Å; V102-N106 PolarHBondContact O-ND2 2.97Å; R103-N106 CarbonylContact O-C 3.52Å; R103-N106 PolarHBondContact O-N 3.11Å; K104-N106 VanDerWaalsContact C-N 3.28Å; K104-N106 PolarHBondContact O-N 2.89Å; N106-N108 PolarHBondContact O-N 2.84Å; N106-L109 HydrophobicContact CB-CD1 3.52Å; N106-L109 HydrophobicContact CB-CG 3.9Å; N106-L109 WeakPolarHBondContact O-CB 3.39Å; N106-L109 PolarHBondContact O-N 3.38Å; N106-L109 VanDerWaalsContact O-N 3.12Å; N106-Q151 PolarHBondContact OD1-NE2 3.37Å
107	P	97.3	Very high	97.7	Very high	85 Å²	85	60.4 Å²	60.4	55%	0.552	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.9	-172.3	30.1	-37.5	0	0	0	113.7	E105 L109	E105-P107 VanDerWaalsContact O-CD 3.32Å; E105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-L109 VanDerWaalsContact C-N 3.32Å
108	N	96.5	Very high	97.7	Very high	62 Å²	62	66.7 Å²	66.7	33%	0.332	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.7	179.3	-65	-38.3	0	0	0	113.2	N106 F115 R118	N106-N108 PolarHBondContact O-N 2.84Å; N108-F115 HydrophobicContact CB-CD2 4.19Å; N108-F115 HydrophobicContact CB-CE2 4.01Å; N108-R118 VanDerWaalsContact OD1-CZ 3.29Å; N108-R118 PolarHBondContact OD1-NH2 3.31Å
109	L	98	Very high	97.7	Very high	4 Å²	4	71 Å²	71	2%	0.021	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.8	135.5	173.8	-66.3	176.7	0	0	0	110.7	N106 P107 F115 H147 Y157 Q333 L334	N106-L109 HydrophobicContact CB-CD1 3.52Å; N106-L109 HydrophobicContact CB-CG 3.9Å; N106-L109 WeakPolarHBondContact O-CB 3.39Å; N106-L109 PolarHBondContact O-N 3.38Å; N106-L109 VanDerWaalsContact O-N 3.12Å; P107-L109 VanDerWaalsContact C-N 3.32Å; L109-F115 HydrophobicContact CD2-CB 3.95Å; L109-H147 HydrophobicContact CD1-CB 4.26Å; L109-Y157 WeakPolarHBondContact CD2-OH 3.42Å; L109-Q333 HydrophobicContact CB-CG 4.05Å; L109-Q333 PolarHBondContact O-NE2 3.46Å; L109-L334 HydrophobicContact CD1-CD2 3.48Å; L109-L334 VanDerWaalsContact CD1-CD2 3.48Å
110	K	97.6	Very high	97.7	Very high	128 Å²	128	70.2 Å²	70.2	56%	0.557	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-100.1	160.2	173.2	-56.5	-57.7	-179	-176.8	0	109.9	G112 G113 R114 Q333	K110-G112 PolarHBondContact O-N 2.93Å; K110-G113 PolarHBondContact O-N 2.03Å; K110-R114 HydrophobicContact CB-CB 4.18Å; K110-R114 PolarHBondContact N-O 2.96Å; K110-R114 PolarHBondContact O-N 3.09Å; K110-R114 VanDerWaalsContact O-N 3.08Å; K110-Q333 VanDerWaalsContact O-O 3.12Å
111	N	97.5	Very high	97.7	Very high	107 Å²	107	68.6 Å²	68.6	57%	0.572	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	139.6	179.7	-161.7	33.2	0	0	0	111.9	K331 D332	N111-K331 PolarHBondContact OD1-O 2.97Å; N111-D332 PolarHBondContact OD1-O 3.4Å
112	G	97.9	Very high	97.8	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.01	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	16.9	-172.7	0	0	0	0	0	115	K110 D332 T336	K110-G112 PolarHBondContact O-N 2.93Å; G112-D332 CarbonylContact C-O 3.59Å; G112-D332 VanDerWaalsContact CA-O 3.23Å; G112-D332 WeakPolarHBondContact CA-O 3.36Å; G112-D332 PolarHBondContact N-O 3.35Å; G112-T336 WeakPolarHBondContact CA-OG1 3.34Å; G112-T336 PolarHBondContact O-N 3.32Å; G112-T336 PolarHBondContact O-OG1 3.46Å
113	G	98.4	Very high	97.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	33.6	-179.7	0	0	0	0	0	114	K110 G158 V159 D332 Q333 L334	K110-G113 PolarHBondContact O-N 2.03Å; G113-G158 WeakPolarHBondContact O-CA 3.4Å; G113-V159 PolarHBondContact O-N 3.3Å; G113-D332 PolarHBondContact N-O 2.98Å; G113-Q333 VanDerWaalsContact CA-O 3.25Å; G113-Q333 WeakPolarHBondContact CA-O 3.47Å; G113-Q333 PolarHBondContact N-O 3.39Å; G113-L334 WeakPolarHBondContact CA-O 3.41Å
114	R	98.7	Very high	97.8	Very high	51 Å²	51	69 Å²	69	19%	0.192	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.5	-173.2	-67.6	-63.6	-59	-88.6	0.8	111.9	K110 D156 Y157 Y187 Y189	K110-R114 HydrophobicContact CB-CB 4.18Å; K110-R114 PolarHBondContact N-O 2.96Å; K110-R114 PolarHBondContact O-N 3.09Å; K110-R114 VanDerWaalsContact O-N 3.08Å; R114-D156 IonicContact NH2-OD1 3.5Å; R114-Y157 WeakPolarHBondContact CA-O 3.17Å; R114-Y157 PolarHBondContact NE-O 2.92Å; R114-Y187 VanDerWaalsContact NH2-CE1 3.32Å; R114-Y189 WeakPolarHBondContact CD-OH 3.25Å; R114-Y189 VanDerWaalsContact CZ-OH 3.31Å; R114-Y189 PolarHBondContact NE-OH 2.96Å
115	F	98.8	Very high	97.8	Very high	22 Å²	22	63.9 Å²	63.9	10%	0.096	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147	173.5	174.9	-97.5	0	0	0	110.8	N108 L109 P117 Q151 L155 D156 Y157	N108-F115 HydrophobicContact CB-CD2 4.19Å; N108-F115 HydrophobicContact CB-CE2 4.01Å; L109-F115 HydrophobicContact CD2-CB 3.95Å; F115-P117 HydrophobicContact CE1-CG 4.22Å; F115-Q151 HydrophobicContact CD1-CG 3.9Å; F115-Q151 HydrophobicContact CD2-CG 3.74Å; F115-Q151 HydrophobicContact CE1-CB 4.13Å; F115-Q151 HydrophobicContact CE1-CG 3.88Å; F115-Q151 HydrophobicContact CE2-CB 4.39Å; F115-Q151 HydrophobicContact CE2-CG 3.71Å; F115-Q151 HydrophobicContact CG-CG 3.84Å; F115-Q151 HydrophobicContact CZ-CB 4.03Å; F115-Q151 HydrophobicContact CZ-CG 3.78Å; F115-L155 VanDerWaalsContact CD1-O 3.29Å; F115-L155 WeakPolarHBondContact CD1-O 3.24Å; F115-D156 CarbonylContact O-C 3.58Å; F115-D156 VanDerWaalsContact O-CA 3.31Å; F115-D156 WeakPolarHBondContact O-CA 3.21Å; F115-Y157 HydrophobicContact CB-CD1 3.9Å; F115-Y157 HydrophobicContact CB-CE1 3.44Å; F115-Y157 VanDerWaalsContact CB-CE1 3.44Å; F115-Y157 HydrophobicContact CB-CE2 4.43Å; F115-Y157 AromaticContact CD1-CD1 3.87Å; F115-Y157 HydrophobicContact CD1-CD1 3.87Å; F115-Y157 AromaticContact CD1-CE1 3.52Å; F115-Y157 HydrophobicContact CD1-CE1 3.52Å; F115-Y157 HydrophobicContact CG-CD1 4.35Å; F115-Y157 AromaticContact CG-CE1 3.78Å; F115-Y157 HydrophobicContact CG-CE1 3.78Å; F115-Y157 PolarHBondContact N-O 3.22Å; F115-Y157 VanDerWaalsContact N-O 3.07Å; F115-Y157 PolarHBondContact O-N 2.67Å
116	K	98	Very high	97.9	Very high	142 Å²	142	58.4 Å²	58.4	62%	0.617	29%	0.29	S	S	*	.			trans	-145	146.7	163.4	64.5	-179.8	-176.4	176.1	0	109.2	D156	K116-D156 HydrophobicContact CB-CB 4.11Å
117	P	97.9	Very high	97.9	Very high	15 Å²	15	58.1 Å²	58.1	10%	0.097	29%	0.288	C	S	.	.			trans	-59.4	148.5	175	-20.9	33.4	0	0	0	111.4	F115 A122 Q154	F115-P117 HydrophobicContact CE1-CG 4.22Å; P117-A122 HydrophobicContact CG-CB 4.36Å; P117-Q154 HydrophobicContact CG-CB 3.9Å; P117-Q154 WeakPolarHBondContact CG-O 3.36Å
118	R	96.1	Very high	98	Very high	156 Å²	156	54.1 Å²	54.1	59%	0.589	26%	0.262	S	S	*	.	S	Bend	trans	-91.1	-31.3	178.8	-64.9	-176.3	-177.4	170.9	4.1	112.8	L75 N108	L75-R118 VanDerWaalsContact CD1-O 3.29Å; L75-R118 WeakPolarHBondContact CD1-O 3.43Å; N108-R118 VanDerWaalsContact OD1-CZ 3.29Å; N108-R118 PolarHBondContact OD1-NH2 3.31Å
119	D	96.3	Very high	98.1	Very high	145 Å²	145	51.1 Å²	51.1	78%	0.775	25%	0.246	S	C	*	.	S	Bend	trans	-99.1	-1.6	-169.3	-47	-52.2	0	0	0	113.2
120	C	97.9	Very high	98.1	Very high	14 Å²	14	51 Å²	51	10%	0.095	25%	0.245	C	C	.	.	S	Bend	trans	-157.7	160.9	176.2	60.3	0	0	0	0	111.7	G76 C78 Q154	G76-C120 CarbonylContact O-C 3.59Å; G76-C120 VanDerWaalsContact O-CA 3.25Å; G76-C120 WeakPolarHBondContact O-CA 3.27Å; G76-C120 WeakPolarHBondContact O-CB 3.3Å; C78-C120 WeakPolarHBondContact CA-SG 3.39Å; C78-C120 HydrophobicContact CB-CB 3.93Å; C78-C120 WeakPolarHBondContact CB-SG 3.47Å; C78-C120 VanDerWaalsContact SG-C 3.59Å; C78-C120 WeakPolarHBondContact SG-CB 3.32Å; C78-C120 CovalentContact SG-SG 2.04Å; C78-C120 PolarHBondContact SG-SG 3.11Å; C120-Q154 PolarHBondContact SG-NE2 2.91Å
121	V	98.3	Very high	98.2	Very high	79 Å²	79	45.2 Å²	45.2	48%	0.479	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-85.6	117.9	172.5	-178.3	0	0	0	0	109.3	L75 G76 K77 C78	L75-V121 HydrophobicContact CB-CG2 3.99Å; G76-V121 PolarHBondContact O-N 3.36Å; K77-V121 CarbonylContact C-O 3.59Å; K77-V121 WeakPolarHBondContact CA-O 3.29Å; C78-V121 PolarHBondContact N-O 2.89Å; C78-V121 PolarHBondContact SG-O 3.2Å; C78-V121 VanDerWaalsContact SG-O 3.4Å
122	A	98.3	Very high	98.2	Very high	19 Å²	19	40.2 Å²	40.2	16%	0.157	19%	0.194	C	C	.	.			trans	-57.3	141.1	178.8	0	0	0	0	0	111.9	P117 Q124 Q154 D156	P117-A122 HydrophobicContact CG-CB 4.36Å; A122-Q124 VanDerWaalsContact C-N 3.28Å; A122-Q124 PolarHBondContact O-N 3Å; A122-Q154 WeakPolarHBondContact CB-O 3.35Å; A122-D156 HydrophobicContact CB-CB 3.79Å; A122-D156 VanDerWaalsContact CB-N 3.33Å
123	L	98.1	Very high	98.2	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.346	20%	0.2	S	C	.	.	S	Bend	trans	-69.4	-26.8	-178.8	-65	176.8	0	0	0	113.2	K77 C78 D80	K77-L123 HydrophobicContact CB-CD2 3.98Å; K77-L123 HydrophobicContact CD-CD2 4.12Å; K77-L123 HydrophobicContact CG-CD2 4.49Å; C78-L123 WeakPolarHBondContact O-CD2 3.33Å; C78-L123 WeakPolarHBondContact O-CG 3.49Å; D80-L123 VanDerWaalsContact OD1-CD1 3.29Å; D80-L123 WeakPolarHBondContact OD1-CD1 3.38Å
124	Q	98.1	Very high	98	Very high	52 Å²	52	47.8 Å²	47.8	24%	0.243	23%	0.231	C	C	.	.			trans	-142.5	143.4	-179.2	-66.6	-172.6	-0.6	0	0	111.3	A122 V126 D156 C210	A122-Q124 VanDerWaalsContact C-N 3.28Å; A122-Q124 PolarHBondContact O-N 3Å; Q124-V126 HydrophobicContact CB-CG2 4.21Å; Q124-D156 PolarHBondContact O-N 3.13Å; Q124-C210 PolarHBondContact NE2-O 3.16Å; Q124-C210 PolarHBondContact OE1-O 3.1Å
125	K	98.8	Very high	97.9	Very high	73 Å²	73	47 Å²	47	32%	0.317	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.6	169.2	-58.1	168.2	-177.4	174.3	0	108.5	D156 Y187 D188 Y189 G190 C191	K125-D156 CarbonylContact C-O 3.57Å; K125-D156 VanDerWaalsContact CA-O 3.25Å; K125-D156 WeakPolarHBondContact CA-O 3.18Å; K125-D156 HydrophobicContact CG-CB 4.38Å; K125-Y187 HydrophobicContact CB-CD1 4.48Å; K125-Y187 HydrophobicContact CB-CE1 4.12Å; K125-Y187 HydrophobicContact CD-CD1 4.29Å; K125-Y187 HydrophobicContact CD-CE1 3.57Å; K125-Y187 HydrophobicContact CG-CE1 3.81Å; K125-D188 WeakPolarHBondContact CD-O 3.47Å; K125-D188 IonicContact NZ-OD2 2.61Å; K125-Y189 HydrophobicContact CB-CD1 4.13Å; K125-G190 PolarHBondContact O-N 2.67Å; K125-G190 VanDerWaalsContact O-N 3.17Å; K125-C191 PolarHBondContact O-N 3.17Å; K125-C191 VanDerWaalsContact O-N 3.08Å
126	V	98.9	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.1	-169.1	-172.1	0	0	0	0	111.8	Q124 I128 L155 D156 Y157 G158 Y189 C191 V193	Q124-V126 HydrophobicContact CB-CG2 4.21Å; V126-I128 HydrophobicContact CG1-CG1 4.16Å; V126-L155 HydrophobicContact CG2-CD1 4.45Å; V126-L155 HydrophobicContact CG2-CD2 4.25Å; V126-D156 PolarHBondContact N-O 3.49Å; V126-Y157 CarbonylContact O-C 3.58Å; V126-Y157 WeakPolarHBondContact O-CA 3.46Å; V126-Y157 WeakPolarHBondContact O-CB 3.28Å; V126-G158 PolarHBondContact O-N 2.94Å; V126-Y189 VanDerWaalsContact O-CE1 3.29Å; V126-Y189 WeakPolarHBondContact O-CE1 3.47Å; V126-C191 CarbonylContact C-O 3.5Å; V126-C191 WeakPolarHBondContact CA-O 3.39Å; V126-C191 HydrophobicContact CG2-CB 4.09Å; V126-V193 HydrophobicContact CG1-CB 4.41Å; V126-V193 HydrophobicContact CG1-CG2 3.6Å
127	A	98.9	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.1	164.8	0	0	0	0	0	109.2	Y160 A183 Y189 C191 F192 V193	A127-Y160 HydrophobicContact CB-CD2 4.19Å; A127-Y160 HydrophobicContact CB-CE2 4.11Å; A127-A183 HydrophobicContact CB-CB 3.74Å; A127-Y189 HydrophobicContact CB-CD1 3.96Å; A127-Y189 HydrophobicContact CB-CD2 3.82Å; A127-Y189 HydrophobicContact CB-CE1 4.25Å; A127-Y189 HydrophobicContact CB-CE2 4.1Å; A127-Y189 HydrophobicContact CB-CG 3.73Å; A127-Y189 VanDerWaalsContact N-CD1 3.35Å; A127-C191 PolarHBondContact N-O 3.32Å; A127-F192 HydrophobicContact CB-CD1 3.79Å; A127-F192 HydrophobicContact CB-CE1 4.04Å; A127-F192 CarbonylContact O-C 3.45Å; A127-F192 WeakPolarHBondContact O-CA 3.44Å; A127-V193 PolarHBondContact O-N 2.99Å
128	I	98.9	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.7	173.8	-52.4	175.5	0	0	0	107.7	V126 I130 W142 L150 Y157 G158 Y160 V193	V126-I128 HydrophobicContact CG1-CG1 4.16Å; I128-I130 HydrophobicContact CG2-CG1 4.49Å; I128-W142 HydrophobicContact CB-CH2 4.47Å; I128-W142 HydrophobicContact CD1-CH2 4.25Å; I128-W142 HydrophobicContact CG2-CH2 3.69Å; I128-W142 HydrophobicContact CG2-CZ2 3.66Å; I128-L150 HydrophobicContact CD1-CD1 3.21Å; I128-L150 HydrophobicContact CD1-CD2 3.59Å; I128-L150 HydrophobicContact CD1-CG 4.02Å; I128-Y157 HydrophobicContact CD1-CD2 4.18Å; I128-G158 PolarHBondContact N-O 3.46Å; I128-Y160 PolarHBondContact O-N 2.98Å; I128-V193 CarbonylContact C-O 3.44Å; I128-V193 WeakPolarHBondContact CA-O 3.44Å; I128-V193 HydrophobicContact CG1-CB 4.3Å; I128-V193 HydrophobicContact CG2-CB 4.41Å; I128-V193 HydrophobicContact CG2-CG1 4.4Å
129	I	99	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.5	-172.1	-62.8	161.1	0	0	0	108.5	I162 L176 G179 Y180 F192 V193 F194 S195	I129-I162 HydrophobicContact CG2-CG1 3.91Å; I129-L176 HydrophobicContact CG2-CD2 3.88Å; I129-G179 VanDerWaalsContact CD1-C 3.44Å; I129-Y180 VanDerWaalsContact CD1-N 3.31Å; I129-F192 HydrophobicContact CD1-CB 4.38Å; I129-F192 HydrophobicContact CD1-CD1 3.85Å; I129-V193 PolarHBondContact N-O 2.86Å; I129-F194 HydrophobicContact CB-CD1 4.09Å; I129-F194 HydrophobicContact CD1-CD1 3.96Å; I129-F194 HydrophobicContact CD1-CE1 3.59Å; I129-F194 HydrophobicContact CG2-CD1 4.37Å; I129-S195 PolarHBondContact O-N 3.49Å
130	I	98.9	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	111.4	-177.3	-56	172.4	0	0	0	108	I128 L139 W142 V159 Y160 V161 I162 S195 V197	I128-I130 HydrophobicContact CG2-CG1 4.49Å; I130-L139 HydrophobicContact CD1-CD1 4.33Å; I130-W142 HydrophobicContact CD1-CD2 3.69Å; I130-W142 HydrophobicContact CD1-CE3 3.75Å; I130-W142 HydrophobicContact CD1-CG 4.42Å; I130-W142 HydrophobicContact CD1-CH2 3.86Å; I130-W142 HydrophobicContact CD1-CZ2 3.75Å; I130-W142 HydrophobicContact CD1-CZ3 3.86Å; I130-W142 HydrophobicContact CG1-CZ2 4.33Å; I130-V159 HydrophobicContact CD1-CG1 3.93Å; I130-Y160 PolarHBondContact N-O 3.21Å; I130-V161 HydrophobicContact CD1-CG2 4.42Å; I130-I162 PolarHBondContact O-N 3.46Å; I130-S195 WeakPolarHBondContact CA-O 3.45Å; I130-V197 HydrophobicContact CG2-CB 3.63Å; I130-V197 HydrophobicContact CG2-CG2 3.98Å
131	P	98.7	Very high	98.1	Very high	8 Å²	8	36 Å²	36	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.5	173	32.7	-29.6	0	0	0	108.4	F170 R172 L175 L176 S195	P131-F170 HydrophobicContact CB-CZ 4.1Å; P131-R172 HydrophobicContact CB-CG 4.23Å; P131-R172 HydrophobicContact CG-CG 3.88Å; P131-L175 HydrophobicContact CB-CB 3.95Å; P131-L175 HydrophobicContact CB-CD1 4.08Å; P131-L176 HydrophobicContact CB-CD2 4.01Å; P131-L176 HydrophobicContact CB-CG 4.48Å; P131-L176 HydrophobicContact CG-CD2 3.68Å; P131-L176 HydrophobicContact CG-CG 4.36Å; P131-S195 VanDerWaalsContact CD-O 3.27Å; P131-S195 WeakPolarHBondContact CD-O 3.16Å
132	F	98.4	Very high	98.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.3	-164	-172.5	-89.5	0	0	0	113.3	R135 D136 L139 V161 I162 N163 Q164 V197	F132-R135 HydrophobicContact CD2-CB 4Å; F132-R135 VanDerWaalsContact CE2-C 3.43Å; F132-R135 HydrophobicContact CE2-CB 3.48Å; F132-R135 VanDerWaalsContact CE2-CB 3.48Å; F132-R135 WeakPolarHBondContact CE2-O 3.45Å; F132-R135 VanDerWaalsContact CZ-C 3.44Å; F132-R135 HydrophobicContact CZ-CB 4.01Å; F132-D136 HydrophobicContact CZ-CB 4.49Å; F132-L139 HydrophobicContact CE2-CB 3.81Å; F132-L139 HydrophobicContact CE2-CD2 4.13Å; F132-L139 HydrophobicContact CZ-CB 4.5Å; F132-L139 HydrophobicContact CZ-CD2 4.38Å; F132-V161 HydrophobicContact CB-CG1 3.53Å; F132-V161 HydrophobicContact CD1-CG1 3.93Å; F132-V161 HydrophobicContact CD2-CG1 3.9Å; F132-V161 HydrophobicContact CG-CG1 3.51Å; F132-I162 PolarHBondContact N-O 3.02Å; F132-N163 HydrophobicContact CD1-CB 4.25Å; F132-N163 WeakPolarHBondContact CD1-OD1 3.14Å; F132-N163 CarbonylContact O-C 3.43Å; F132-N163 VanDerWaalsContact O-CA 3.31Å; F132-N163 WeakPolarHBondContact O-CA 3.31Å; F132-Q164 PolarHBondContact O-N 2.93Å; F132-V197 HydrophobicContact CD2-CG2 4.2Å; F132-V197 HydrophobicContact CE2-CG2 4.35Å
133	R	96.7	Very high	98.1	Very high	36 Å²	36	31.3 Å²	31.3	14%	0.136	15%	0.15	C	C	.	.	S	Bend	trans	-162.3	128.1	160.3	-179.1	165.5	64.9	-176.1	2.4	109.5	R135 G166 E168 F170	R133-R135 VanDerWaalsContact C-N 3.3Å; R133-R135 WeakPolarHBondContact O-CG 3.45Å; R133-R135 PolarHBondContact O-N 3.47Å; R133-G166 PolarHBondContact NH1-O 3.45Å; R133-E168 PolarHBondContact NH1-O 3.21Å; R133-E168 PolarHBondContact NH2-O 2.97Å; R133-F170 HydrophobicContact CB-CD2 4.1Å; R133-F170 HydrophobicContact CB-CE2 3.94Å
134	N	95	Very high	98.1	Very high	123 Å²	123	32 Å²	32	66%	0.658	15%	0.149	S	C	*	.	S	Bend	trans	50.7	41.9	173	-58.9	-13.3	0	0	0	114.8
135	R	96.3	Very high	98.2	Very high	34 Å²	34	31 Å²	31	13%	0.128	14%	0.143	C	C	.	.			trans	-125	32	-178.6	-70	-58	-167.2	158.2	5.1	113.4	F132 R133 E137 H138 L139 V197 H291 D294	F132-R135 HydrophobicContact CD2-CB 4Å; F132-R135 VanDerWaalsContact CE2-C 3.43Å; F132-R135 HydrophobicContact CE2-CB 3.48Å; F132-R135 VanDerWaalsContact CE2-CB 3.48Å; F132-R135 WeakPolarHBondContact CE2-O 3.45Å; F132-R135 VanDerWaalsContact CZ-C 3.44Å; F132-R135 HydrophobicContact CZ-CB 4.01Å; R133-R135 VanDerWaalsContact C-N 3.3Å; R133-R135 WeakPolarHBondContact O-CG 3.45Å; R133-R135 PolarHBondContact O-N 3.47Å; R135-E137 VanDerWaalsContact C-N 3.29Å; R135-E137 PolarHBondContact O-N 2.81Å; R135-H138 HydrophobicContact CB-CB 4.28Å; R135-H138 PolarHBondContact NH1-CE1 3.45Å; R135-H138 WeakPolarHBondContact O-CB 3.48Å; R135-H138 PolarHBondContact O-N 2.92Å; R135-L139 PolarHBondContact O-N 2.82Å; R135-V197 HydrophobicContact CB-CG1 3.93Å; R135-V197 HydrophobicContact CG-CG1 4.15Å; R135-H291 PolarHBondContact NH2-CE1 3.01Å; R135-H291 VanDerWaalsContact NH2-CG 3.27Å; R135-H291 PolarHBondContact NH2-ND1 3.38Å; R135-H291 PolarHBondContact NH2-NE2 3.46Å; R135-D294 IonicContact CZ-OD1 3.54Å; R135-D294 IonicContact CZ-OD2 3.21Å; R135-D294 IonicContact NE-OD1 3.29Å; R135-D294 IonicContact NE-OD2 3.64Å; R135-D294 PolarHBondContact NE-OD2 3.09Å; R135-D294 IonicContact NH1-OD1 3.79Å; R135-D294 IonicContact NH2-OD1 2.67Å; R135-D294 PolarHBondContact NH2-OD1 3.36Å; R135-D294 IonicContact NH2-OD2 3.32Å; R135-D294 PolarHBondContact NH2-OD2 3.2Å
136	D	96.9	Very high	98.2	Very high	71 Å²	71	27.6 Å²	27.6	38%	0.38	13%	0.128	S	C	.	.	H	α-helix	trans	-59.1	-37.6	-169.5	-61	-89.5	0	0	0	112.9	F132 H138 L139 K140 K337	F132-D136 HydrophobicContact CZ-CB 4.49Å; D136-H138 PolarHBondContact O-N 2.88Å; D136-L139 PolarHBondContact O-N 3.17Å; D136-K140 WeakPolarHBondContact O-CG 3.31Å; D136-K140 PolarHBondContact O-N 2.84Å; D136-K337 IonicContact OD1-NZ 3.91Å
137	E	96.8	Very high	98.2	Very high	95 Å²	95	27.6 Å²	27.6	44%	0.444	13%	0.128	S	C	.	.	H	α-helix	trans	-64	-37.7	174.5	-65.7	-51.4	126	0	0	113.1	R135 K140 F141	R135-E137 VanDerWaalsContact C-N 3.29Å; R135-E137 PolarHBondContact O-N 2.81Å; E137-K140 PolarHBondContact O-N 2.86Å; E137-K140 WeakPolarHBondContact OE1-CE 3.47Å; E137-K140 IonicContact OE1-NZ 3.36Å; E137-K140 PolarHBondContact OE1-NZ 3.13Å; E137-K140 IonicContact OE2-NZ 3.44Å; E137-F141 WeakPolarHBondContact O-CD2 3.45Å; E137-F141 PolarHBondContact O-N 3.46Å
138	H	98.2	Very high	98.1	Very high	21 Å²	21	29.4 Å²	29.4	10%	0.097	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-41.2	175.5	-65.1	-168.2	0	0	0	110.9	R135 D136 K140 F141 W142 V197 I289 H291	R135-H138 HydrophobicContact CB-CB 4.28Å; R135-H138 PolarHBondContact NH1-CE1 3.45Å; R135-H138 WeakPolarHBondContact O-CB 3.48Å; R135-H138 PolarHBondContact O-N 2.92Å; D136-H138 PolarHBondContact O-N 2.88Å; H138-K140 VanDerWaalsContact C-N 3.28Å; H138-K140 PolarHBondContact O-N 2.93Å; H138-F141 PolarHBondContact O-N 3.22Å; H138-W142 PolarHBondContact O-N 2.89Å; H138-V197 HydrophobicContact CB-CG1 4.09Å; H138-V197 HydrophobicContact CB-CG2 4.17Å; H138-I289 HydrophobicContact CB-CD1 4.01Å; H138-H291 AromaticContact CE1-CD2 3.62Å; H138-H291 AromaticContact CE1-CG 3.93Å
139	L	98.6	Very high	98.1	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-38.7	177.3	179.1	62.9	0	0	0	111.5	I130 F132 R135 D136 F141 W142 L143 V161 V197 Y335	I130-L139 HydrophobicContact CD1-CD1 4.33Å; F132-L139 HydrophobicContact CE2-CB 3.81Å; F132-L139 HydrophobicContact CE2-CD2 4.13Å; F132-L139 HydrophobicContact CZ-CB 4.5Å; F132-L139 HydrophobicContact CZ-CD2 4.38Å; R135-L139 PolarHBondContact O-N 2.82Å; D136-L139 PolarHBondContact O-N 3.17Å; L139-F141 PolarHBondContact O-N 2.84Å; L139-W142 WeakPolarHBondContact O-CB 3.37Å; L139-W142 PolarHBondContact O-N 3.12Å; L139-L143 HydrophobicContact CD1-CD1 4.08Å; L139-L143 HydrophobicContact CD1-CD2 4.31Å; L139-L143 HydrophobicContact CD1-CG 3.96Å; L139-L143 HydrophobicContact CD2-CD1 4.47Å; L139-L143 HydrophobicContact CG-CD1 3.83Å; L139-L143 HydrophobicContact CG-CG 4.19Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 2.95Å; L139-V161 HydrophobicContact CD1-CG2 3.77Å; L139-V161 HydrophobicContact CD2-CG1 4.27Å; L139-V161 HydrophobicContact CD2-CG2 4Å; L139-V197 HydrophobicContact CB-CG2 3.92Å; L139-V197 HydrophobicContact CD1-CG2 4.19Å; L139-Y335 HydrophobicContact CD2-CE1 4.47Å
140	K	98.6	Very high	98.1	Very high	54 Å²	54	29.5 Å²	29.5	24%	0.235	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-47.1	175.3	-67.6	171.1	-178.2	176.2	0	111.9	I97 L99 D136 E137 H138 L143 Y144	I97-K140 HydrophobicContact CB-CB 3.96Å; I97-K140 HydrophobicContact CG2-CB 4.06Å; L99-K140 HydrophobicContact CD1-CG 4.39Å; L99-K140 HydrophobicContact CD2-CB 4.17Å; L99-K140 HydrophobicContact CD2-CG 3.78Å; L99-K140 HydrophobicContact CG-CG 3.98Å; D136-K140 WeakPolarHBondContact O-CG 3.31Å; D136-K140 PolarHBondContact O-N 2.84Å; E137-K140 PolarHBondContact O-N 2.86Å; E137-K140 WeakPolarHBondContact OE1-CE 3.47Å; E137-K140 IonicContact OE1-NZ 3.36Å; E137-K140 PolarHBondContact OE1-NZ 3.13Å; E137-K140 IonicContact OE2-NZ 3.44Å; H138-K140 VanDerWaalsContact C-N 3.28Å; H138-K140 PolarHBondContact O-N 2.93Å; K140-L143 PolarHBondContact O-N 2.77Å; K140-Y144 WeakPolarHBondContact O-CB 3.35Å; K140-Y144 PolarHBondContact O-N 2.68Å
141	F	98.6	Very high	98.1	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-42.8	174.2	-78.3	-67.5	0	0	0	112.2	F93 N95 I97 E137 H138 L139 L143 Y144 Y145 I289	F93-F141 HydrophobicContact CB-CE1 4.36Å; F93-F141 HydrophobicContact CB-CE2 4.46Å; F93-F141 HydrophobicContact CB-CZ 4.17Å; F93-F141 AromaticContact CD1-CD1 3.94Å; F93-F141 HydrophobicContact CD1-CD1 3.94Å; F93-F141 HydrophobicContact CD1-CE1 4.26Å; F93-F141 HydrophobicContact CD1-CG 4.09Å; N95-F141 VanDerWaalsContact O-CE1 3.27Å; N95-F141 WeakPolarHBondContact O-CE1 3.37Å; N95-F141 WeakPolarHBondContact O-CZ 3.09Å; I97-F141 HydrophobicContact CD1-CD1 4.04Å; I97-F141 HydrophobicContact CD1-CE1 3.89Å; I97-F141 HydrophobicContact CG1-CD1 3.49Å; I97-F141 VanDerWaalsContact CG1-CD1 3.49Å; I97-F141 HydrophobicContact CG1-CE1 3.52Å; I97-F141 HydrophobicContact CG1-CG 4.1Å; I97-F141 HydrophobicContact CG1-CZ 4.15Å; E137-F141 WeakPolarHBondContact O-CD2 3.45Å; E137-F141 PolarHBondContact O-N 3.46Å; H138-F141 PolarHBondContact O-N 3.22Å; L139-F141 PolarHBondContact O-N 2.84Å; F141-L143 PolarHBondContact O-N 2.77Å; F141-Y144 PolarHBondContact O-N 3.32Å; F141-Y145 HydrophobicContact CD1-CE2 4.06Å; F141-Y145 VanDerWaalsContact O-CD2 3.25Å; F141-Y145 WeakPolarHBondContact O-CD2 2.99Å; F141-Y145 PolarHBondContact O-N 3.02Å; F141-I289 HydrophobicContact CB-CD1 3.6Å; F141-I289 HydrophobicContact CD2-CD1 4.25Å; F141-I289 HydrophobicContact CG-CD1 4.24Å
142	W	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-51.5	177.5	-167.3	100.7	0	0	0	111.1	I128 I130 H138 L139 Y144 Y145 L146 L150 V159 S195 V197 I200	I128-W142 HydrophobicContact CB-CH2 4.47Å; I128-W142 HydrophobicContact CD1-CH2 4.25Å; I128-W142 HydrophobicContact CG2-CH2 3.69Å; I128-W142 HydrophobicContact CG2-CZ2 3.66Å; I130-W142 HydrophobicContact CD1-CD2 3.69Å; I130-W142 HydrophobicContact CD1-CE3 3.75Å; I130-W142 HydrophobicContact CD1-CG 4.42Å; I130-W142 HydrophobicContact CD1-CH2 3.86Å; I130-W142 HydrophobicContact CD1-CZ2 3.75Å; I130-W142 HydrophobicContact CD1-CZ3 3.86Å; I130-W142 HydrophobicContact CG1-CZ2 4.33Å; H138-W142 PolarHBondContact O-N 2.89Å; L139-W142 WeakPolarHBondContact O-CB 3.37Å; L139-W142 PolarHBondContact O-N 3.12Å; W142-Y144 PolarHBondContact O-N 2.99Å; W142-Y145 PolarHBondContact O-N 3.09Å; W142-L146 HydrophobicContact CD2-CB 4.13Å; W142-L146 HydrophobicContact CD2-CD2 4.27Å; W142-L146 HydrophobicContact CD2-CG 4.01Å; W142-L146 HydrophobicContact CE3-CB 3.97Å; W142-L146 HydrophobicContact CE3-CG 4.35Å; W142-L146 HydrophobicContact CG-CD2 4.33Å; W142-L146 HydrophobicContact CH2-CB 3.81Å; W142-L146 HydrophobicContact CH2-CG 4.04Å; W142-L146 HydrophobicContact CZ2-CB 4.02Å; W142-L146 HydrophobicContact CZ2-CD1 4.48Å; W142-L146 HydrophobicContact CZ2-CG 3.7Å; W142-L146 HydrophobicContact CZ3-CB 3.78Å; W142-L146 HydrophobicContact CZ3-CG 4.35Å; W142-L146 VanDerWaalsContact O-CB 3.28Å; W142-L146 WeakPolarHBondContact O-CB 3.33Å; W142-L146 WeakPolarHBondContact O-CD2 3.46Å; W142-L146 PolarHBondContact O-N 3.29Å; W142-L150 HydrophobicContact CH2-CD1 4.32Å; W142-V159 HydrophobicContact CH2-CG1 4.19Å; W142-V159 HydrophobicContact CH2-CG2 4.19Å; W142-V159 HydrophobicContact CZ3-CG1 3.81Å; W142-V159 HydrophobicContact CZ3-CG2 4.02Å; W142-S195 PolarHBondContact NE1-OG 2.87Å; W142-V197 HydrophobicContact CB-CG2 4.4Å; W142-I200 HydrophobicContact CB-CD1 4.14Å; W142-I200 HydrophobicContact CG-CD1 4.27Å
143	L	98.8	Very high	98.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-43.3	179.8	-64.4	167.2	0	0	0	111.6	L99 L139 K140 F141 Y145 H147 V159 L334 Y335	L99-L143 HydrophobicContact CD2-CD1 4.02Å; L139-L143 HydrophobicContact CD1-CD1 4.08Å; L139-L143 HydrophobicContact CD1-CD2 4.31Å; L139-L143 HydrophobicContact CD1-CG 3.96Å; L139-L143 HydrophobicContact CD2-CD1 4.47Å; L139-L143 HydrophobicContact CG-CD1 3.83Å; L139-L143 HydrophobicContact CG-CG 4.19Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 2.95Å; K140-L143 PolarHBondContact O-N 2.77Å; F141-L143 PolarHBondContact O-N 2.77Å; L143-Y145 PolarHBondContact O-N 3.1Å; L143-H147 WeakPolarHBondContact CD2-NE2 3.14Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-CD2 3.13Å; L143-H147 PolarHBondContact O-N 2.86Å; L143-V159 HydrophobicContact CD2-CG1 4.26Å; L143-L334 HydrophobicContact CD1-CB 4.16Å; L143-L334 HydrophobicContact CD1-CD1 4.29Å; L143-L334 HydrophobicContact CD2-CB 4.26Å; L143-Y335 HydrophobicContact CD1-CD1 3.51Å; L143-Y335 HydrophobicContact CD1-CE1 3.76Å; L143-Y335 HydrophobicContact CD2-CD1 4.13Å; L143-Y335 HydrophobicContact CG-CD1 4.48Å
144	Y	98.6	Very high	98.2	Very high	81 Å²	81	33 Å²	33	32%	0.318	16%	0.155	S	C	.	.	H	α-helix	trans	-57.4	-46.9	177.8	171.3	-102.9	0	0	0	112.4	I97 V102 K140 F141 W142 P148	I97-Y144 HydrophobicContact CD1-CD1 3.93Å; I97-Y144 HydrophobicContact CD1-CD2 4.21Å; I97-Y144 HydrophobicContact CD1-CE1 4.27Å; I97-Y144 HydrophobicContact CD1-CG 3.9Å; I97-Y144 HydrophobicContact CG1-CG 4.47Å; I97-Y144 HydrophobicContact CG2-CG 4.35Å; V102-Y144 HydrophobicContact CG2-CD2 4.09Å; K140-Y144 WeakPolarHBondContact O-CB 3.35Å; K140-Y144 PolarHBondContact O-N 2.68Å; F141-Y144 PolarHBondContact O-N 3.32Å; W142-Y144 PolarHBondContact O-N 2.99Å; Y144-P148 WeakPolarHBondContact O-CD 3.45Å
145	Y	98.8	Very high	98.4	Very high	31 Å²	31	27.4 Å²	27.4	12%	0.122	13%	0.125	C	C	.	.	H	α-helix	trans	-80.7	-42.9	-178.8	-75	-65.2	0	0	0	113.4	I91 E92 F93 F141 W142 L143 I149 I200	I91-Y145 HydrophobicContact CD1-CD1 3.57Å; I91-Y145 HydrophobicContact CD1-CE1 3.74Å; I91-Y145 HydrophobicContact CD1-CG 4.16Å; I91-Y145 HydrophobicContact CG2-CD2 4.23Å; I91-Y145 HydrophobicContact CG2-CE1 4.36Å; I91-Y145 HydrophobicContact CG2-CE2 3.92Å; E92-Y145 PolarHBondContact N-OH 3.3Å; E92-Y145 PolarHBondContact O-OH 3.47Å; F93-Y145 HydrophobicContact CD1-CE2 4.34Å; F93-Y145 HydrophobicContact CE1-CE2 4.11Å; F141-Y145 HydrophobicContact CD1-CE2 4.06Å; F141-Y145 VanDerWaalsContact O-CD2 3.25Å; F141-Y145 WeakPolarHBondContact O-CD2 2.99Å; F141-Y145 PolarHBondContact O-N 3.02Å; W142-Y145 PolarHBondContact O-N 3.09Å; L143-Y145 PolarHBondContact O-N 3.1Å; Y145-I149 VanDerWaalsContact O-CD1 3.26Å; Y145-I149 WeakPolarHBondContact O-CD1 3.06Å; Y145-I149 VanDerWaalsContact O-CG1 3.23Å; Y145-I149 WeakPolarHBondContact O-CG1 3.27Å; Y145-I200 HydrophobicContact CD1-CG2 4.45Å; Y145-I200 HydrophobicContact CD2-CD1 4.47Å; Y145-I200 HydrophobicContact CD2-CG1 4.28Å; Y145-I200 HydrophobicContact CD2-CG2 3.89Å; Y145-I200 HydrophobicContact CG-CG2 3.71Å
146	L	98.9	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-78.8	-35	-169.4	-84.5	-66.4	0	0	0	112.6	W142 I149 L150 I200 P201 Y208	W142-L146 HydrophobicContact CD2-CB 4.13Å; W142-L146 HydrophobicContact CD2-CD2 4.27Å; W142-L146 HydrophobicContact CD2-CG 4.01Å; W142-L146 HydrophobicContact CE3-CB 3.97Å; W142-L146 HydrophobicContact CE3-CG 4.35Å; W142-L146 HydrophobicContact CG-CD2 4.33Å; W142-L146 HydrophobicContact CH2-CB 3.81Å; W142-L146 HydrophobicContact CH2-CG 4.04Å; W142-L146 HydrophobicContact CZ2-CB 4.02Å; W142-L146 HydrophobicContact CZ2-CD1 4.48Å; W142-L146 HydrophobicContact CZ2-CG 3.7Å; W142-L146 HydrophobicContact CZ3-CB 3.78Å; W142-L146 HydrophobicContact CZ3-CG 4.35Å; W142-L146 VanDerWaalsContact O-CB 3.28Å; W142-L146 WeakPolarHBondContact O-CB 3.33Å; W142-L146 WeakPolarHBondContact O-CD2 3.46Å; W142-L146 PolarHBondContact O-N 3.29Å; L146-I149 PolarHBondContact O-N 2.99Å; L146-I149 VanDerWaalsContact O-N 3.12Å; L146-L150 HydrophobicContact CB-CD1 4.08Å; L146-L150 HydrophobicContact CB-CG 4.46Å; L146-L150 WeakPolarHBondContact O-CB 3.35Å; L146-L150 WeakPolarHBondContact O-CD1 3.5Å; L146-L150 WeakPolarHBondContact O-CG 3.45Å; L146-L150 PolarHBondContact O-N 3.2Å; L146-I200 HydrophobicContact CD2-CD1 3.72Å; L146-I200 HydrophobicContact CD2-CG2 4.12Å; L146-P201 HydrophobicContact CD1-CG 3.81Å; L146-P201 HydrophobicContact CD2-CG 4.49Å; L146-Y208 HydrophobicContact CD1-CD1 4.26Å; L146-Y208 HydrophobicContact CD1-CE1 3.82Å; L146-Y208 HydrophobicContact CD1-CE2 4.48Å
147	H	98.8	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-48.9	-179.3	-79.4	-56.2	0	0	0	113.4	L109 L143 I149 Q151 Y157 L334	L109-H147 HydrophobicContact CD1-CB 4.26Å; L143-H147 WeakPolarHBondContact CD2-NE2 3.14Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-CD2 3.13Å; L143-H147 PolarHBondContact O-N 2.86Å; H147-I149 VanDerWaalsContact C-N 3.34Å; H147-I149 PolarHBondContact O-N 3.41Å; H147-Q151 WeakPolarHBondContact O-CB 3.28Å; H147-Q151 VanDerWaalsContact O-CG 3.29Å; H147-Q151 WeakPolarHBondContact O-CG 3.29Å; H147-Q151 PolarHBondContact O-N 2.81Å; H147-Q151 VanDerWaalsContact O-N 3.12Å; H147-Q151 PolarHBondContact O-NE2 2.9Å; H147-Y157 AromaticContact ND1-CE2 3.9Å; H147-Y157 AromaticContact ND1-CZ 3.92Å; H147-Y157 PolarHBondContact ND1-OH 2.85Å; H147-L334 PolarHBondContact CE1-O 3.02Å; H147-L334 PolarHBondContact NE2-O 3.32Å
148	P	98.8	Very high	98.7	Very high	38 Å²	38	18.5 Å²	18.5	25%	0.247	8%	0.083	C	C	.	.	H	α-helix	trans	-62.2	-39.7	175.1	-25.4	35.8	0	0	0	112.9	Y144 R152	Y144-P148 WeakPolarHBondContact O-CD 3.45Å; P148-R152 WeakPolarHBondContact O-CG 3.37Å; P148-R152 PolarHBondContact O-N 3.45Å; P148-R152 PolarHBondContact O-NH1 3.29Å
149	I	98.9	Very high	98.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-51.1	179	-69.6	172	0	0	0	110.8	L89 Y145 L146 H147 Q151 R152 Q153 P201 D204	L89-I149 HydrophobicContact CD1-CD1 3.43Å; L89-I149 VanDerWaalsContact CD1-CD1 3.43Å; L89-I149 HydrophobicContact CD1-CG1 3.63Å; Y145-I149 VanDerWaalsContact O-CD1 3.26Å; Y145-I149 WeakPolarHBondContact O-CD1 3.06Å; Y145-I149 VanDerWaalsContact O-CG1 3.23Å; Y145-I149 WeakPolarHBondContact O-CG1 3.27Å; L146-I149 PolarHBondContact O-N 2.99Å; L146-I149 VanDerWaalsContact O-N 3.12Å; H147-I149 VanDerWaalsContact C-N 3.34Å; H147-I149 PolarHBondContact O-N 3.41Å; I149-Q151 VanDerWaalsContact C-N 3.32Å; I149-Q151 PolarHBondContact O-N 2.9Å; I149-R152 PolarHBondContact O-N 3.1Å; I149-Q153 VanDerWaalsContact O-CG 3.31Å; I149-Q153 WeakPolarHBondContact O-CG 3.33Å; I149-Q153 PolarHBondContact O-N 3Å; I149-P201 HydrophobicContact CD1-CG 3.86Å; I149-D204 HydrophobicContact CG1-CB 4.33Å; I149-D204 HydrophobicContact CG2-CB 3.93Å
150	L	98.8	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-35.1	-177	-63.2	166.6	0	0	0	112.2	I128 W142 L146 Q153 Q154 L155 Y157 Y208	I128-L150 HydrophobicContact CD1-CD1 3.21Å; I128-L150 HydrophobicContact CD1-CD2 3.59Å; I128-L150 HydrophobicContact CD1-CG 4.02Å; W142-L150 HydrophobicContact CH2-CD1 4.32Å; L146-L150 HydrophobicContact CB-CD1 4.08Å; L146-L150 HydrophobicContact CB-CG 4.46Å; L146-L150 WeakPolarHBondContact O-CB 3.35Å; L146-L150 WeakPolarHBondContact O-CD1 3.5Å; L146-L150 WeakPolarHBondContact O-CG 3.45Å; L146-L150 PolarHBondContact O-N 3.2Å; L150-Q153 PolarHBondContact O-N 2.81Å; L150-Q154 PolarHBondContact O-N 2.91Å; L150-L155 HydrophobicContact CD2-CD1 3.88Å; L150-Y157 HydrophobicContact CB-CD1 3.91Å; L150-Y157 HydrophobicContact CB-CE1 3.44Å; L150-Y157 VanDerWaalsContact CB-CE1 3.44Å; L150-Y157 HydrophobicContact CB-CE2 4.29Å; L150-Y157 HydrophobicContact CB-CG 4.47Å; L150-Y157 HydrophobicContact CD1-CD2 4.08Å; L150-Y157 HydrophobicContact CD1-CE1 4.43Å; L150-Y157 HydrophobicContact CD1-CE2 3.78Å; L150-Y208 HydrophobicContact CD2-CD1 4.18Å; L150-Y208 HydrophobicContact CD2-CG 3.99Å
151	Q	98.7	Very high	98.8	Very high	28 Å²	28	14.8 Å²	14.8	13%	0.131	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-44.7	173.5	-74.1	172.5	89.6	0	0	111.7	N106 F115 H147 I149 Q153 Q154 Y157	N106-Q151 PolarHBondContact OD1-NE2 3.37Å; F115-Q151 HydrophobicContact CD1-CG 3.9Å; F115-Q151 HydrophobicContact CD2-CG 3.74Å; F115-Q151 HydrophobicContact CE1-CB 4.13Å; F115-Q151 HydrophobicContact CE1-CG 3.88Å; F115-Q151 HydrophobicContact CE2-CB 4.39Å; F115-Q151 HydrophobicContact CE2-CG 3.71Å; F115-Q151 HydrophobicContact CG-CG 3.84Å; F115-Q151 HydrophobicContact CZ-CB 4.03Å; F115-Q151 HydrophobicContact CZ-CG 3.78Å; H147-Q151 WeakPolarHBondContact O-CB 3.28Å; H147-Q151 VanDerWaalsContact O-CG 3.29Å; H147-Q151 WeakPolarHBondContact O-CG 3.29Å; H147-Q151 PolarHBondContact O-N 2.81Å; H147-Q151 VanDerWaalsContact O-N 3.12Å; H147-Q151 PolarHBondContact O-NE2 2.9Å; I149-Q151 VanDerWaalsContact C-N 3.32Å; I149-Q151 PolarHBondContact O-N 2.9Å; Q151-Q153 PolarHBondContact O-N 3.18Å; Q151-Q154 PolarHBondContact O-N 3.33Å; Q151-Y157 HydrophobicContact CG-CE1 4.3Å
152	R	98.8	Very high	98.8	Very high	53 Å²	53	14 Å²	14	20%	0.2	6%	0.063	C	C	.	.	H	α-helix	trans	-63.4	-26.8	174	-69.4	-171.7	-48.8	-94.4	6.2	112.1	S82 L84 L85 P148 I149 Q154 D204	S82-R152 WeakPolarHBondContact CB-O 3.48Å; S82-R152 PolarHBondContact OG-O 3.26Å; L84-R152 HydrophobicContact CB-CB 4.11Å; L84-R152 HydrophobicContact CB-CG 4.27Å; L84-R152 VanDerWaalsContact O-CD 3.28Å; L84-R152 WeakPolarHBondContact O-CD 3.34Å; L85-R152 HydrophobicContact CD2-CB 4.43Å; P148-R152 WeakPolarHBondContact O-CG 3.37Å; P148-R152 PolarHBondContact O-N 3.45Å; P148-R152 PolarHBondContact O-NH1 3.29Å; I149-R152 PolarHBondContact O-N 3.1Å; R152-Q154 PolarHBondContact O-N 2.78Å; R152-D204 IonicContact CZ-OD2 3.38Å; R152-D204 VanDerWaalsContact CZ-OD2 3.29Å; R152-D204 IonicContact NE-OD2 2.6Å; R152-D204 PolarHBondContact NE-OD2 3.36Å; R152-D204 IonicContact NH2-OD2 3.55Å; R152-D204 PolarHBondContact NH2-OD2 3.09Å
153	Q	98.8	Very high	98.8	Very high	12 Å²	12	14.9 Å²	14.9	6%	0.056	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.4	173.8	-70.5	174.8	6.4	0	0	114.2	L85 I149 L150 Q151 L155 D204 N206 T207	L85-Q153 HydrophobicContact CD2-CG 3.84Å; I149-Q153 VanDerWaalsContact O-CG 3.31Å; I149-Q153 WeakPolarHBondContact O-CG 3.33Å; I149-Q153 PolarHBondContact O-N 3Å; L150-Q153 PolarHBondContact O-N 2.81Å; Q151-Q153 PolarHBondContact O-N 3.18Å; Q153-L155 VanDerWaalsContact C-N 3.29Å; Q153-L155 HydrophobicContact CB-CD1 4.11Å; Q153-L155 HydrophobicContact CB-CD2 4.48Å; Q153-L155 HydrophobicContact CB-CG 3.9Å; Q153-L155 PolarHBondContact O-N 2.77Å; Q153-D204 PolarHBondContact NE2-O 3.2Å; Q153-N206 PolarHBondContact NE2-O 2.85Å; Q153-T207 HydrophobicContact CB-CG2 4.15Å; Q153-T207 HydrophobicContact CG-CG2 4.13Å
154	Q	98.6	Very high	98.8	Very high	26 Å²	26	15 Å²	15	12%	0.121	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	39	177.3	-59.9	-176	-75.3	0	0	114.2	C78 S82 L84 P117 C120 A122 L150 Q151 R152	C78-Q154 HydrophobicContact CB-CB 4.29Å; S82-Q154 PolarHBondContact OG-OE1 3.06Å; L84-Q154 HydrophobicContact CD1-CG 3.93Å; P117-Q154 HydrophobicContact CG-CB 3.9Å; P117-Q154 WeakPolarHBondContact CG-O 3.36Å; C120-Q154 PolarHBondContact SG-NE2 2.91Å; A122-Q154 WeakPolarHBondContact CB-O 3.35Å; L150-Q154 PolarHBondContact O-N 2.91Å; Q151-Q154 PolarHBondContact O-N 3.33Å; R152-Q154 PolarHBondContact O-N 2.78Å
155	L	98.4	Very high	98.7	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.037	7%	0.072	C	C	.	.			trans	-85.8	148.2	178.5	-54.3	174.8	0	0	0	111.5	F115 V126 L150 Q153 Y157 T207 Y208 R209	F115-L155 VanDerWaalsContact CD1-O 3.29Å; F115-L155 WeakPolarHBondContact CD1-O 3.24Å; V126-L155 HydrophobicContact CG2-CD1 4.45Å; V126-L155 HydrophobicContact CG2-CD2 4.25Å; L150-L155 HydrophobicContact CD2-CD1 3.88Å; Q153-L155 VanDerWaalsContact C-N 3.29Å; Q153-L155 HydrophobicContact CB-CD1 4.11Å; Q153-L155 HydrophobicContact CB-CD2 4.48Å; Q153-L155 HydrophobicContact CB-CG 3.9Å; Q153-L155 PolarHBondContact O-N 2.77Å; L155-Y157 HydrophobicContact CB-CD1 4.07Å; L155-T207 HydrophobicContact CD2-CG2 4.41Å; L155-Y208 VanDerWaalsContact CD1-O 3.31Å; L155-Y208 WeakPolarHBondContact CD1-O 3.49Å; L155-R209 HydrophobicContact CD2-CB 4.09Å
156	D	98.8	Very high	98.5	Very high	13 Å²	13	15 Å²	15	7%	0.07	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	103.3	157.5	177.8	-9.4	0	0	0	106.8	R114 F115 K116 A122 Q124 K125 V126 Y187	R114-D156 IonicContact NH2-OD1 3.5Å; F115-D156 CarbonylContact O-C 3.58Å; F115-D156 VanDerWaalsContact O-CA 3.31Å; F115-D156 WeakPolarHBondContact O-CA 3.21Å; K116-D156 HydrophobicContact CB-CB 4.11Å; A122-D156 HydrophobicContact CB-CB 3.79Å; A122-D156 VanDerWaalsContact CB-N 3.33Å; Q124-D156 PolarHBondContact O-N 3.13Å; K125-D156 CarbonylContact C-O 3.57Å; K125-D156 VanDerWaalsContact CA-O 3.25Å; K125-D156 WeakPolarHBondContact CA-O 3.18Å; K125-D156 HydrophobicContact CG-CB 4.38Å; V126-D156 PolarHBondContact N-O 3.49Å; D156-Y187 WeakPolarHBondContact OD2-CE1 3.5Å; D156-Y187 PolarHBondContact OD2-OH 3.39Å
157	Y	98.9	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.8	-170.2	77	-93.8	0	0	0	114.4	L109 R114 F115 V126 I128 H147 L150 Q151 L155 V159	L109-Y157 WeakPolarHBondContact CD2-OH 3.42Å; R114-Y157 WeakPolarHBondContact CA-O 3.17Å; R114-Y157 PolarHBondContact NE-O 2.92Å; F115-Y157 HydrophobicContact CB-CD1 3.9Å; F115-Y157 HydrophobicContact CB-CE1 3.44Å; F115-Y157 VanDerWaalsContact CB-CE1 3.44Å; F115-Y157 HydrophobicContact CB-CE2 4.43Å; F115-Y157 AromaticContact CD1-CD1 3.87Å; F115-Y157 HydrophobicContact CD1-CD1 3.87Å; F115-Y157 AromaticContact CD1-CE1 3.52Å; F115-Y157 HydrophobicContact CD1-CE1 3.52Å; F115-Y157 HydrophobicContact CG-CD1 4.35Å; F115-Y157 AromaticContact CG-CE1 3.78Å; F115-Y157 HydrophobicContact CG-CE1 3.78Å; F115-Y157 PolarHBondContact N-O 3.22Å; F115-Y157 VanDerWaalsContact N-O 3.07Å; F115-Y157 PolarHBondContact O-N 2.67Å; V126-Y157 CarbonylContact O-C 3.58Å; V126-Y157 WeakPolarHBondContact O-CA 3.46Å; V126-Y157 WeakPolarHBondContact O-CB 3.28Å; I128-Y157 HydrophobicContact CD1-CD2 4.18Å; H147-Y157 AromaticContact ND1-CE2 3.9Å; H147-Y157 AromaticContact ND1-CZ 3.92Å; H147-Y157 PolarHBondContact ND1-OH 2.85Å; L150-Y157 HydrophobicContact CB-CD1 3.91Å; L150-Y157 HydrophobicContact CB-CE1 3.44Å; L150-Y157 VanDerWaalsContact CB-CE1 3.44Å; L150-Y157 HydrophobicContact CB-CE2 4.29Å; L150-Y157 HydrophobicContact CB-CG 4.47Å; L150-Y157 HydrophobicContact CD1-CD2 4.08Å; L150-Y157 HydrophobicContact CD1-CE1 4.43Å; L150-Y157 HydrophobicContact CD1-CE2 3.78Å; Q151-Y157 HydrophobicContact CG-CE1 4.3Å; L155-Y157 HydrophobicContact CB-CD1 4.07Å; Y157-V159 HydrophobicContact CD2-CG2 4.05Å; Y157-V159 HydrophobicContact CE2-CG2 3.86Å
158	G	98.9	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.6	164.3	0	0	0	0	0	111.6	G113 V126 I128	G113-G158 WeakPolarHBondContact O-CA 3.4Å; V126-G158 PolarHBondContact O-N 2.94Å; I128-G158 PolarHBondContact N-O 3.46Å
159	V	98.9	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121	177.9	-179.1	0	0	0	0	110.1	G113 I130 W142 L143 Y157 T336	G113-V159 PolarHBondContact O-N 3.3Å; I130-V159 HydrophobicContact CD1-CG1 3.93Å; W142-V159 HydrophobicContact CH2-CG1 4.19Å; W142-V159 HydrophobicContact CH2-CG2 4.19Å; W142-V159 HydrophobicContact CZ3-CG1 3.81Å; W142-V159 HydrophobicContact CZ3-CG2 4.02Å; L143-V159 HydrophobicContact CD2-CG1 4.26Å; Y157-V159 HydrophobicContact CD2-CG2 4.05Å; Y157-V159 HydrophobicContact CE2-CG2 3.86Å; V159-T336 PolarHBondContact O-N 3.05Å
160	Y	98.9	Very high	97.4	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.1	-177.3	-62.9	-89.4	0	0	0	110	A127 I128 I130 A183 E186 Y189 T336 I338	A127-Y160 HydrophobicContact CB-CD2 4.19Å; A127-Y160 HydrophobicContact CB-CE2 4.11Å; I128-Y160 PolarHBondContact O-N 2.98Å; I130-Y160 PolarHBondContact N-O 3.21Å; Y160-A183 HydrophobicContact CD1-CB 4.27Å; Y160-A183 HydrophobicContact CD2-CB 3.88Å; Y160-A183 HydrophobicContact CE1-CB 4.11Å; Y160-A183 HydrophobicContact CE2-CB 3.71Å; Y160-A183 HydrophobicContact CG-CB 4.17Å; Y160-E186 HydrophobicContact CE1-CG 4.33Å; Y160-Y189 AromaticContact CE2-CE2 3.75Å; Y160-Y189 HydrophobicContact CE2-CE2 3.75Å; Y160-Y189 AromaticContact CE2-CZ 3.78Å; Y160-Y189 WeakPolarHBondContact CE2-OH 3.49Å; Y160-Y189 AromaticContact CZ-CE2 3.81Å; Y160-Y189 WeakPolarHBondContact OH-CE2 3.42Å; Y160-Y189 PolarHBondContact OH-OH 3.38Å; Y160-T336 CarbonylContact C-O 3.57Å; Y160-T336 WeakPolarHBondContact CA-O 3.35Å; Y160-T336 HydrophobicContact CD1-CG2 4.36Å; Y160-T336 HydrophobicContact CE1-CG2 4.49Å; Y160-I338 HydrophobicContact CD1-CD1 4.23Å
161	V	98.9	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.1	175	-178.9	0	0	0	0	107.9	I130 F132 L139 N163 Y335 T336 K337 I338	I130-V161 HydrophobicContact CD1-CG2 4.42Å; F132-V161 HydrophobicContact CB-CG1 3.53Å; F132-V161 HydrophobicContact CD1-CG1 3.93Å; F132-V161 HydrophobicContact CD2-CG1 3.9Å; F132-V161 HydrophobicContact CG-CG1 3.51Å; L139-V161 HydrophobicContact CD1-CG2 3.77Å; L139-V161 HydrophobicContact CD2-CG1 4.27Å; L139-V161 HydrophobicContact CD2-CG2 4Å; V161-N163 PolarHBondContact O-N 3.45Å; V161-Y335 HydrophobicContact CB-CD2 4.35Å; V161-Y335 HydrophobicContact CG2-CD2 3.91Å; V161-Y335 HydrophobicContact CG2-CG 4.12Å; V161-T336 PolarHBondContact N-O 3.06Å; V161-K337 HydrophobicContact CB-CB 4.38Å; V161-K337 HydrophobicContact CB-CG 4.32Å; V161-K337 HydrophobicContact CG1-CG 4.25Å; V161-K337 CarbonylContact O-C 3.53Å; V161-K337 WeakPolarHBondContact O-CA 3.47Å; V161-I338 PolarHBondContact O-N 2.9Å
162	I	98.9	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	97	-177.3	-46.7	-55.5	0	0	0	108.2	I129 I130 F132 L175 V178 G179 I338 V340	I129-I162 HydrophobicContact CG2-CG1 3.91Å; I130-I162 PolarHBondContact O-N 3.46Å; F132-I162 PolarHBondContact N-O 3.02Å; I162-L175 HydrophobicContact CB-CB 4.35Å; I162-L175 HydrophobicContact CG2-CB 4.03Å; I162-L175 HydrophobicContact CG2-CD2 3.84Å; I162-V178 HydrophobicContact CG2-CB 4.03Å; I162-V178 HydrophobicContact CG2-CG1 3.79Å; I162-G179 VanDerWaalsContact CD1-CA 3.46Å; I162-I338 HydrophobicContact CD1-CB 4.21Å; I162-I338 HydrophobicContact CD1-CD1 4.28Å; I162-I338 HydrophobicContact CD1-CG1 4.46Å; I162-V340 HydrophobicContact CG2-CG2 3.93Å
163	N	98.8	Very high	97.3	Very high	19 Å²	19	24.7 Å²	24.7	10%	0.102	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.4	-175.4	-178.7	63.9	0	0	0	110.1	F132 V161 D165 K337 I338 T339 V340	F132-N163 HydrophobicContact CD1-CB 4.25Å; F132-N163 WeakPolarHBondContact CD1-OD1 3.14Å; F132-N163 CarbonylContact O-C 3.43Å; F132-N163 VanDerWaalsContact O-CA 3.31Å; F132-N163 WeakPolarHBondContact O-CA 3.31Å; V161-N163 PolarHBondContact O-N 3.45Å; N163-D165 PolarHBondContact O-N 3.24Å; N163-K337 HydrophobicContact CB-CG 4.11Å; N163-I338 PolarHBondContact N-O 3.29Å; N163-T339 WeakPolarHBondContact ND2-CG2 3.45Å; N163-T339 PolarHBondContact ND2-OG1 3.18Å; N163-T339 CarbonylContact O-C 3.54Å; N163-T339 VanDerWaalsContact O-CA 3.3Å; N163-T339 WeakPolarHBondContact O-CA 3.5Å; N163-V340 PolarHBondContact O-N 3.39Å
164	Q	98.4	Very high	97.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.2	171.9	-172.5	169.2	-40.2	0	0	109.6	F132 V169 F170 L175 V342	F132-Q164 PolarHBondContact O-N 2.93Å; Q164-V169 PolarHBondContact NE2-O 3.16Å; Q164-F170 HydrophobicContact CB-CD2 4.33Å; Q164-F170 HydrophobicContact CB-CE2 4.29Å; Q164-L175 HydrophobicContact CB-CD1 3.93Å; Q164-L175 HydrophobicContact CB-CD2 3.88Å; Q164-L175 HydrophobicContact CB-CG 4.47Å; Q164-L175 HydrophobicContact CG-CD2 4.42Å; Q164-V342 HydrophobicContact CG-CG2 3.89Å
165	D	97.4	Very high	97.3	Very high	74 Å²	74	24 Å²	24	40%	0.396	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-74.6	152.2	173.5	-161.2	39.5	0	0	0	111.2	N163 V327 T339 V340	N163-D165 PolarHBondContact O-N 3.24Å; D165-V327 HydrophobicContact CB-CG2 4.3Å; D165-T339 HydrophobicContact CB-CG2 3.77Å; D165-V340 WeakPolarHBondContact CB-O 3.23Å; D165-V340 PolarHBondContact N-O 2.83Å
166	G	93.3	Very high	97.3	Very high	39 Å²	39	23.7 Å²	23.7	40%	0.402	13%	0.129	S	C	.	.	S	Bend	trans	69.4	-177.8	179.5	0	0	0	0	0	115.9	R133	R133-G166 PolarHBondContact NH1-O 3.45Å
167	D	91.5	Very high	97.3	Very high	144 Å²	144	23 Å²	23	77%	0.77	13%	0.126	S	C	*	.	S	Bend	trans	-103.2	7.6	-171.1	-64	-44.7	0	0	0	113.8
168	E	92.3	Very high	97.3	Very high	78 Å²	78	23 Å²	23	36%	0.364	13%	0.126	S	C	.	.	S	Bend	trans	-62.6	168.1	-179.1	-69.6	-60.3	137.2	0	0	113.2	R133 F170 E344	R133-E168 PolarHBondContact NH1-O 3.21Å; R133-E168 PolarHBondContact NH2-O 2.97Å; E168-F170 PolarHBondContact O-N 3.22Å; E168-E344 HydrophobicContact CG-CG 3.74Å
169	V	94	Very high	97.3	Very high	39 Å²	39	23 Å²	23	24%	0.236	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-56.4	134.4	-179.4	-178.5	0	0	0	0	110.7	Q164 N171 W256	Q164-V169 PolarHBondContact NE2-O 3.16Å; V169-N171 PolarHBondContact O-N 3.27Å; V169-W256 HydrophobicContact CB-CB 4.35Å; V169-W256 HydrophobicContact CB-CE3 4.21Å; V169-W256 HydrophobicContact CG1-CB 3.96Å; V169-W256 VanDerWaalsContact O-CZ3 3.26Å; V169-W256 WeakPolarHBondContact O-CZ3 3.14Å
170	F	95.6	Very high	97.3	Very high	29 Å²	29	23.6 Å²	23.6	13%	0.127	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-66	137	-178.8	-169.4	-113.3	0	0	0	111.2	P131 R133 Q164 E168 R172 L175 G257 G296	P131-F170 HydrophobicContact CB-CZ 4.1Å; R133-F170 HydrophobicContact CB-CD2 4.1Å; R133-F170 HydrophobicContact CB-CE2 3.94Å; Q164-F170 HydrophobicContact CB-CD2 4.33Å; Q164-F170 HydrophobicContact CB-CE2 4.29Å; E168-F170 PolarHBondContact O-N 3.22Å; F170-R172 HydrophobicContact CD1-CB 4.31Å; F170-R172 HydrophobicContact CE1-CB 3.92Å; F170-L175 HydrophobicContact CD2-CD1 4.08Å; F170-L175 HydrophobicContact CE1-CD1 4.39Å; F170-L175 HydrophobicContact CE2-CD1 3.29Å; F170-L175 HydrophobicContact CZ-CD1 3.5Å; F170-L175 VanDerWaalsContact CZ-CD1 3.5Å; F170-G257 PolarHBondContact O-N 3.43Å; F170-G296 PolarHBondContact N-O 3.33Å
171	N	97.3	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.			trans	-126.3	84.1	179.3	-167.9	-30.5	0	0	0	111.6	V169 A173 K174 L175 N253 Y255 W256	V169-N171 PolarHBondContact O-N 3.27Å; N171-A173 PolarHBondContact O-N 3.01Å; N171-K174 HydrophobicContact CB-CB 4.11Å; N171-K174 PolarHBondContact O-N 3.39Å; N171-K174 WeakPolarHBondContact OD1-CB 3.28Å; N171-K174 PolarHBondContact OD1-N 2.89Å; N171-L175 VanDerWaalsContact O-CG 3.28Å; N171-L175 WeakPolarHBondContact O-CG 3.43Å; N171-L175 PolarHBondContact O-N 2.91Å; N171-L175 VanDerWaalsContact O-N 3.13Å; N171-N253 PolarHBondContact ND2-O 2.93Å; N171-Y255 VanDerWaalsContact CG-O 3.29Å; N171-Y255 PolarHBondContact OD1-O 3.42Å; N171-W256 HydrophobicContact CB-CD2 4.19Å; N171-W256 HydrophobicContact CB-CE3 3.66Å; N171-W256 HydrophobicContact CB-CH2 4.13Å; N171-W256 HydrophobicContact CB-CZ3 3.63Å; N171-W256 VanDerWaalsContact ND2-CE2 3.27Å; N171-W256 WeakPolarHBondContact ND2-CZ2 3.46Å
172	R	97.8	Very high	97.3	Very high	33 Å²	33	25.6 Å²	25.6	13%	0.125	14%	0.141	C	C	.	.	H	α-helix	trans	-53.5	-56.7	-177.2	-177.7	176.3	171.7	-79.7	-8	112.3	P131 F170 K174 L175 L176 D196 G236 E261	P131-R172 HydrophobicContact CB-CG 4.23Å; P131-R172 HydrophobicContact CG-CG 3.88Å; F170-R172 HydrophobicContact CD1-CB 4.31Å; F170-R172 HydrophobicContact CE1-CB 3.92Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.03Å; R172-L175 PolarHBondContact O-N 2.64Å; R172-L176 HydrophobicContact CG-CD1 4.45Å; R172-L176 WeakPolarHBondContact O-CG 3.41Å; R172-L176 PolarHBondContact O-N 3.2Å; R172-L176 VanDerWaalsContact O-N 3.12Å; R172-D196 IonicContact CZ-OD1 3.7Å; R172-D196 VanDerWaalsContact CZ-OD1 3.23Å; R172-D196 IonicContact NE-OD1 3.83Å; R172-D196 PolarHBondContact NE-OD1 2.98Å; R172-D196 IonicContact NE-OD2 2.77Å; R172-D196 IonicContact NH2-OD1 2.68Å; R172-D196 PolarHBondContact NH2-OD1 3.02Å; R172-D196 IonicContact NH2-OD2 3.09Å; R172-G236 PolarHBondContact NH2-O 2.84Å; R172-E261 WeakPolarHBondContact CD-OE1 3.23Å; R172-E261 IonicContact CZ-OE1 3.4Å; R172-E261 IonicContact NE-OE1 2.93Å; R172-E261 IonicContact NH1-OE1 3.86Å; R172-E261 PolarHBondContact NH1-OE1 3.07Å
173	A	98.4	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-38.2	-174.6	0	0	0	0	0	113.2	N171 L176 N177 F251 P252 E261	N171-A173 PolarHBondContact O-N 3.01Å; A173-L176 WeakPolarHBondContact O-CB 3.48Å; A173-L176 PolarHBondContact O-N 3.23Å; A173-N177 PolarHBondContact O-N 3.18Å; A173-N177 VanDerWaalsContact O-N 3.13Å; A173-F251 HydrophobicContact CB-CB 4.09Å; A173-P252 HydrophobicContact CB-CG 4.35Å; A173-P252 WeakPolarHBondContact CB-O 3.26Å; A173-E261 HydrophobicContact CB-CB 4.02Å; A173-E261 HydrophobicContact CB-CG 3.82Å
174	K	98.6	Very high	97.3	Very high	23 Å²	23	26.9 Å²	26.9	10%	0.1	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-40.6	176.5	-168.7	169.7	-176.6	-177.9	0	112	N171 R172 L176 N177 V178 N253 W256 L322 S323 V342	N171-K174 HydrophobicContact CB-CB 4.11Å; N171-K174 PolarHBondContact O-N 3.39Å; N171-K174 WeakPolarHBondContact OD1-CB 3.28Å; N171-K174 PolarHBondContact OD1-N 2.89Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.03Å; K174-L176 VanDerWaalsContact C-N 3.3Å; K174-L176 PolarHBondContact O-N 3.2Å; K174-N177 WeakPolarHBondContact O-CB 3.29Å; K174-N177 PolarHBondContact O-N 3.37Å; K174-V178 WeakPolarHBondContact O-CG2 3.04Å; K174-V178 PolarHBondContact O-N 3.37Å; K174-N253 HydrophobicContact CB-CB 4.41Å; K174-N253 HydrophobicContact CD-CB 4.02Å; K174-N253 HydrophobicContact CG-CB 4.12Å; K174-W256 HydrophobicContact CD-CZ2 4.5Å; K174-L322 HydrophobicContact CG-CD1 3.9Å; K174-S323 WeakPolarHBondContact CE-O 3.32Å; K174-S323 PolarHBondContact NZ-O 3.28Å; K174-S323 VanDerWaalsContact NZ-O 3.1Å; K174-V342 HydrophobicContact CD-CB 3.99Å; K174-V342 HydrophobicContact CD-CG1 4.48Å; K174-V342 HydrophobicContact CG-CB 4.46Å; K174-V342 HydrophobicContact CG-CG1 4.43Å; K174-V342 PolarHBondContact NZ-O 3.12Å
175	L	98.8	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-35.2	174.8	-64.1	166.7	0	0	0	112.2	P131 I162 Q164 F170 N171 R172 V178 G179 V340 V342	P131-L175 HydrophobicContact CB-CB 3.95Å; P131-L175 HydrophobicContact CB-CD1 4.08Å; I162-L175 HydrophobicContact CB-CB 4.35Å; I162-L175 HydrophobicContact CG2-CB 4.03Å; I162-L175 HydrophobicContact CG2-CD2 3.84Å; Q164-L175 HydrophobicContact CB-CD1 3.93Å; Q164-L175 HydrophobicContact CB-CD2 3.88Å; Q164-L175 HydrophobicContact CB-CG 4.47Å; Q164-L175 HydrophobicContact CG-CD2 4.42Å; F170-L175 HydrophobicContact CD2-CD1 4.08Å; F170-L175 HydrophobicContact CE1-CD1 4.39Å; F170-L175 HydrophobicContact CE2-CD1 3.29Å; F170-L175 HydrophobicContact CZ-CD1 3.5Å; F170-L175 VanDerWaalsContact CZ-CD1 3.5Å; N171-L175 VanDerWaalsContact O-CG 3.28Å; N171-L175 WeakPolarHBondContact O-CG 3.43Å; N171-L175 PolarHBondContact O-N 2.91Å; N171-L175 VanDerWaalsContact O-N 3.13Å; R172-L175 PolarHBondContact O-N 2.64Å; L175-V178 WeakPolarHBondContact O-CB 3.43Å; L175-V178 PolarHBondContact O-N 3.5Å; L175-G179 PolarHBondContact O-N 3.31Å; L175-V340 HydrophobicContact CD2-CG2 3.72Å; L175-V342 HydrophobicContact CD2-CG1 3.95Å
176	L	98.9	Very high	97.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-40.2	174.4	-61.8	178.1	0	0	0	111.8	I129 P131 R172 A173 K174 G179 Y180 F194 F251	I129-L176 HydrophobicContact CG2-CD2 3.88Å; P131-L176 HydrophobicContact CB-CD2 4.01Å; P131-L176 HydrophobicContact CB-CG 4.48Å; P131-L176 HydrophobicContact CG-CD2 3.68Å; P131-L176 HydrophobicContact CG-CG 4.36Å; R172-L176 HydrophobicContact CG-CD1 4.45Å; R172-L176 WeakPolarHBondContact O-CG 3.41Å; R172-L176 PolarHBondContact O-N 3.2Å; R172-L176 VanDerWaalsContact O-N 3.12Å; A173-L176 WeakPolarHBondContact O-CB 3.48Å; A173-L176 PolarHBondContact O-N 3.23Å; K174-L176 VanDerWaalsContact C-N 3.3Å; K174-L176 PolarHBondContact O-N 3.2Å; L176-G179 PolarHBondContact O-N 3.3Å; L176-Y180 PolarHBondContact O-N 3.01Å; L176-F194 HydrophobicContact CB-CD1 3.88Å; L176-F194 HydrophobicContact CB-CE1 4.29Å; L176-F194 HydrophobicContact CD1-CB 4.09Å; L176-F194 HydrophobicContact CD1-CD1 4.37Å; L176-F194 HydrophobicContact CD1-CG 4.43Å; L176-F194 HydrophobicContact CD2-CB 4.01Å; L176-F194 HydrophobicContact CD2-CD1 3.95Å; L176-F194 HydrophobicContact CD2-CG 4.43Å; L176-F194 HydrophobicContact CG-CD1 4.25Å; L176-F251 HydrophobicContact CB-CD2 3.7Å; L176-F251 HydrophobicContact CB-CE2 3.89Å; L176-F251 HydrophobicContact CD1-CD2 3.85Å; L176-F251 HydrophobicContact CD1-CE2 3.71Å; L176-F251 HydrophobicContact CG-CD2 4.43Å; L176-F251 HydrophobicContact CG-CE2 4.44Å
177	N	98.9	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-40.8	172.2	-77.8	-19.2	0	0	0	112.3	A173 K174 Y180 S181 F245 F251 N253 I319 L322	A173-N177 PolarHBondContact O-N 3.18Å; A173-N177 VanDerWaalsContact O-N 3.13Å; K174-N177 WeakPolarHBondContact O-CB 3.29Å; K174-N177 PolarHBondContact O-N 3.37Å; N177-Y180 PolarHBondContact O-N 3.42Å; N177-S181 PolarHBondContact O-N 3.47Å; N177-S181 VanDerWaalsContact O-N 3.11Å; N177-S181 PolarHBondContact O-OG 2.8Å; N177-F245 WeakPolarHBondContact OD1-CZ 3.31Å; N177-F251 PolarHBondContact ND2-O 3.5Å; N177-F251 PolarHBondContact OD1-N 3.12Å; N177-N253 PolarHBondContact ND2-OD1 2.91Å; N177-I319 HydrophobicContact CB-CD1 3.8Å; N177-I319 WeakPolarHBondContact O-CD1 3.45Å; N177-L322 HydrophobicContact CB-CD1 3.87Å; N177-L322 HydrophobicContact CB-CD2 4.01Å; N177-L322 HydrophobicContact CB-CG 4.45Å
178	V	98.9	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-49.9	173.7	171.7	0	0	0	0	110.1	I162 K174 L175 Y180 S181 E182 L322 Y324 V340 V342	I162-V178 HydrophobicContact CG2-CB 4.03Å; I162-V178 HydrophobicContact CG2-CG1 3.79Å; K174-V178 WeakPolarHBondContact O-CG2 3.04Å; K174-V178 PolarHBondContact O-N 3.37Å; L175-V178 WeakPolarHBondContact O-CB 3.43Å; L175-V178 PolarHBondContact O-N 3.5Å; V178-Y180 VanDerWaalsContact C-N 3.29Å; V178-Y180 PolarHBondContact O-N 3.17Å; V178-S181 WeakPolarHBondContact O-CB 3.37Å; V178-S181 PolarHBondContact O-N 3.12Å; V178-E182 HydrophobicContact CG1-CG 4Å; V178-E182 WeakPolarHBondContact O-CG 3.45Å; V178-E182 PolarHBondContact O-N 3.15Å; V178-L322 HydrophobicContact CG2-CD1 4.04Å; V178-L322 HydrophobicContact CG2-CD2 4.29Å; V178-Y324 HydrophobicContact CG1-CD2 3.94Å; V178-Y324 HydrophobicContact CG1-CE2 3.83Å; V178-Y324 HydrophobicContact CG1-CG 4.47Å; V178-Y324 HydrophobicContact CG2-CD1 3.77Å; V178-Y324 HydrophobicContact CG2-CD2 3.99Å; V178-Y324 HydrophobicContact CG2-CE1 4.18Å; V178-Y324 HydrophobicContact CG2-CE2 4.37Å; V178-Y324 HydrophobicContact CG2-CG 3.67Å; V178-V340 HydrophobicContact CG1-CB 4.42Å; V178-V340 HydrophobicContact CG1-CG1 3.76Å; V178-V340 HydrophobicContact CG1-CG2 4.13Å; V178-V342 HydrophobicContact CG2-CG1 4.38Å
179	G	98.9	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-37.5	179.8	0	0	0	0	0	113.6	I129 I162 L175 L176 S181 A183	I129-G179 VanDerWaalsContact CD1-C 3.44Å; I162-G179 VanDerWaalsContact CD1-CA 3.46Å; L175-G179 PolarHBondContact O-N 3.31Å; L176-G179 PolarHBondContact O-N 3.3Å; G179-S181 VanDerWaalsContact C-N 3.35Å; G179-A183 WeakPolarHBondContact O-CB 3.21Å; G179-A183 PolarHBondContact O-N 2.97Å
180	Y	98.9	Very high	98.4	Very high	11 Å²	11	29.8 Å²	29.8	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-47.8	171.9	172.4	-87.2	0	0	0	111.3	I129 L176 N177 V178 L184 F192 K242 F245 L246 I319	I129-Y180 VanDerWaalsContact CD1-N 3.31Å; L176-Y180 PolarHBondContact O-N 3.01Å; N177-Y180 PolarHBondContact O-N 3.42Å; V178-Y180 VanDerWaalsContact C-N 3.29Å; V178-Y180 PolarHBondContact O-N 3.17Å; Y180-L184 HydrophobicContact CD1-CD1 4.18Å; Y180-L184 HydrophobicContact CE1-CD1 3.59Å; Y180-L184 HydrophobicContact CE2-CD1 4.12Å; Y180-L184 PolarHBondContact O-N 3.41Å; Y180-F192 AromaticContact CD2-CD1 3.58Å; Y180-F192 HydrophobicContact CD2-CD1 3.58Å; Y180-F192 AromaticContact CD2-CD2 3.76Å; Y180-F192 HydrophobicContact CD2-CD2 3.76Å; Y180-F192 AromaticContact CD2-CE1 3.53Å; Y180-F192 HydrophobicContact CD2-CE1 3.53Å; Y180-F192 AromaticContact CD2-CE2 3.75Å; Y180-F192 HydrophobicContact CD2-CE2 3.75Å; Y180-F192 AromaticContact CD2-CG 3.7Å; Y180-F192 HydrophobicContact CD2-CG 3.7Å; Y180-F192 AromaticContact CD2-CZ 3.63Å; Y180-F192 HydrophobicContact CD2-CZ 3.63Å; Y180-F192 HydrophobicContact CE2-CD1 4.22Å; Y180-F192 AromaticContact CE2-CD2 3.67Å; Y180-F192 HydrophobicContact CE2-CD2 3.67Å; Y180-F192 AromaticContact CE2-CE1 3.91Å; Y180-F192 HydrophobicContact CE2-CE1 3.91Å; Y180-F192 AromaticContact CE2-CE2 3.35Å; Y180-F192 HydrophobicContact CE2-CE2 3.35Å; Y180-F192 HydrophobicContact CE2-CG 4.12Å; Y180-F192 AromaticContact CE2-CZ 3.47Å; Y180-F192 HydrophobicContact CE2-CZ 3.47Å; Y180-F192 VanDerWaalsContact CE2-CZ 3.47Å; Y180-F192 HydrophobicContact CG-CD1 4.4Å; Y180-F192 HydrophobicContact CG-CE1 4.24Å; Y180-K242 WeakPolarHBondContact OH-CG 3.42Å; Y180-F245 HydrophobicContact CD1-CD1 4.01Å; Y180-F245 AromaticContact CD1-CE1 3.6Å; Y180-F245 HydrophobicContact CD1-CE1 3.6Å; Y180-F245 HydrophobicContact CD1-CZ 4.41Å; Y180-F245 AromaticContact CD2-CD1 3.52Å; Y180-F245 HydrophobicContact CD2-CD1 3.52Å; Y180-F245 HydrophobicContact CD2-CD2 4.43Å; Y180-F245 AromaticContact CD2-CE1 3.64Å; Y180-F245 HydrophobicContact CD2-CE1 3.64Å; Y180-F245 AromaticContact CD2-CG 3.92Å; Y180-F245 HydrophobicContact CD2-CG 3.92Å; Y180-F245 HydrophobicContact CD2-CZ 4.14Å; Y180-F245 AromaticContact CE1-CD1 3.94Å; Y180-F245 HydrophobicContact CE1-CD1 3.94Å; Y180-F245 AromaticContact CE1-CE1 3.95Å; Y180-F245 HydrophobicContact CE1-CE1 3.95Å; Y180-F245 HydrophobicContact CE2-CB 4.09Å; Y180-F245 AromaticContact CE2-CD1 3.41Å; Y180-F245 HydrophobicContact CE2-CD1 3.41Å; Y180-F245 VanDerWaalsContact CE2-CD1 3.41Å; Y180-F245 AromaticContact CE2-CE1 3.97Å; Y180-F245 HydrophobicContact CE2-CE1 3.97Å; Y180-F245 AromaticContact CE2-CG 3.87Å; Y180-F245 HydrophobicContact CE2-CG 3.87Å; Y180-F245 AromaticContact CG-CD1 3.82Å; Y180-F245 HydrophobicContact CG-CD1 3.82Å; Y180-F245 AromaticContact CG-CE1 3.45Å; Y180-F245 HydrophobicContact CG-CE1 3.45Å; Y180-F245 VanDerWaalsContact CG-CE1 3.45Å; Y180-F245 AromaticContact CG-CZ 3.92Å; Y180-F245 HydrophobicContact CG-CZ 3.92Å; Y180-F245 AromaticContact CZ-CD1 3.65Å; Y180-L246 HydrophobicContact CE1-CD2 4.4Å; Y180-L246 WeakPolarHBondContact OH-CD2 3.49Å; Y180-L246 WeakPolarHBondContact OH-CG 3.39Å; Y180-I319 HydrophobicContact CD1-CD1 3.94Å; Y180-I319 HydrophobicContact CD1-CG1 4.26Å; Y180-I319 HydrophobicContact CE1-CG1 4.42Å
181	S	98.9	Very high	98.6	Very high	27 Å²	27	28.4 Å²	28.4	19%	0.189	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-44.8	-176.9	-57.4	0	0	0	0	112.3	N177 V178 G179 I319 L322	N177-S181 PolarHBondContact O-N 3.47Å; N177-S181 VanDerWaalsContact O-N 3.11Å; N177-S181 PolarHBondContact O-OG 2.8Å; V178-S181 WeakPolarHBondContact O-CB 3.37Å; V178-S181 PolarHBondContact O-N 3.12Å; G179-S181 VanDerWaalsContact C-N 3.35Å; S181-I319 WeakPolarHBondContact OG-CD1 3.33Å; S181-L322 WeakPolarHBondContact OG-CD2 3.35Å
182	E	98.9	Very high	98.7	Very high	17 Å²	17	28.4 Å²	28.4	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-72.7	-40.9	-177.9	-68.1	-59.1	121.1	0	0	112.4	V178 L184 K185 Y324 I338	V178-E182 HydrophobicContact CG1-CG 4Å; V178-E182 WeakPolarHBondContact O-CG 3.45Å; V178-E182 PolarHBondContact O-N 3.15Å; E182-L184 PolarHBondContact O-N 2.85Å; E182-K185 WeakPolarHBondContact O-CB 3.14Å; E182-K185 PolarHBondContact O-N 2.8Å; E182-K185 VanDerWaalsContact OE1-CE 3.31Å; E182-K185 WeakPolarHBondContact OE1-CE 3.28Å; E182-K185 IonicContact OE1-NZ 3.68Å; E182-K185 PolarHBondContact OE1-NZ 3.05Å; E182-K185 IonicContact OE2-NZ 3.79Å; E182-Y324 HydrophobicContact CG-CE2 4.33Å; E182-Y324 WeakPolarHBondContact OE1-CE2 3.19Å; E182-Y324 PolarHBondContact OE1-OH 3.18Å; E182-I338 HydrophobicContact CB-CD1 3.5Å; E182-I338 VanDerWaalsContact CB-CD1 3.5Å; E182-I338 HydrophobicContact CG-CD1 4Å; E182-I338 HydrophobicContact CG-CG2 4.32Å
183	A	98.8	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-35.6	178.2	0	0	0	0	0	112	A127 Y160 G179 K185 E186 Y187 Y189	A127-A183 HydrophobicContact CB-CB 3.74Å; Y160-A183 HydrophobicContact CD1-CB 4.27Å; Y160-A183 HydrophobicContact CD2-CB 3.88Å; Y160-A183 HydrophobicContact CE1-CB 4.11Å; Y160-A183 HydrophobicContact CE2-CB 3.71Å; Y160-A183 HydrophobicContact CG-CB 4.17Å; G179-A183 WeakPolarHBondContact O-CB 3.21Å; G179-A183 PolarHBondContact O-N 2.97Å; A183-K185 VanDerWaalsContact C-N 3.25Å; A183-K185 PolarHBondContact O-N 3.34Å; A183-E186 PolarHBondContact O-N 2.82Å; A183-E186 VanDerWaalsContact O-N 3.16Å; A183-Y187 PolarHBondContact O-N 2.86Å; A183-Y187 VanDerWaalsContact O-N 3.15Å; A183-Y189 HydrophobicContact CB-CD2 4.03Å; A183-Y189 HydrophobicContact CB-CE2 4.07Å; A183-Y189 WeakPolarHBondContact O-CD2 3.3Å; A183-Y189 WeakPolarHBondContact O-CE2 3.2Å
184	L	98.8	Very high	98.7	Very high	45 Å²	45	26.9 Å²	26.9	24%	0.236	14%	0.138	C	C	.	.	H	α-helix	trans	-69.3	-18.1	177.1	-80.6	173.3	0	0	0	114.3	Y180 E182 E186 F192 K242	Y180-L184 HydrophobicContact CD1-CD1 4.18Å; Y180-L184 HydrophobicContact CE1-CD1 3.59Å; Y180-L184 HydrophobicContact CE2-CD1 4.12Å; Y180-L184 PolarHBondContact O-N 3.41Å; E182-L184 PolarHBondContact O-N 2.85Å; L184-E186 VanDerWaalsContact C-N 3.33Å; L184-F192 HydrophobicContact CD1-CE1 4.49Å; L184-F192 HydrophobicContact CD1-CZ 3.92Å; L184-F192 HydrophobicContact CD2-CZ 3.84Å; L184-F192 HydrophobicContact CG-CE1 4.1Å; L184-F192 HydrophobicContact CG-CZ 3.73Å; L184-K242 HydrophobicContact CD2-CD 4.47Å
185	K	98.4	Very high	98.8	Very high	141 Å²	141	25.8 Å²	25.8	61%	0.613	13%	0.134	S	C	*	.	H	α-helix	trans	-74.7	-27.1	171.8	-61.5	175.7	-177.8	175.8	0	112	E182 A183	E182-K185 WeakPolarHBondContact O-CB 3.14Å; E182-K185 PolarHBondContact O-N 2.8Å; E182-K185 VanDerWaalsContact OE1-CE 3.31Å; E182-K185 WeakPolarHBondContact OE1-CE 3.28Å; E182-K185 IonicContact OE1-NZ 3.68Å; E182-K185 PolarHBondContact OE1-NZ 3.05Å; E182-K185 IonicContact OE2-NZ 3.79Å; A183-K185 VanDerWaalsContact C-N 3.25Å; A183-K185 PolarHBondContact O-N 3.34Å
186	E	97.5	Very high	98.7	Very high	87 Å²	87	27.1 Å²	27.1	41%	0.407	14%	0.141	S	C	.	.	H	α-helix	trans	-91.4	-33.5	-176.2	-71.2	-78.3	160.2	0	0	112.7	Y160 A183 L184 K331	Y160-E186 HydrophobicContact CE1-CG 4.33Å; A183-E186 PolarHBondContact O-N 2.82Å; A183-E186 VanDerWaalsContact O-N 3.16Å; L184-E186 VanDerWaalsContact C-N 3.33Å; E186-K331 WeakPolarHBondContact OE1-CE 3.3Å; E186-K331 IonicContact OE1-NZ 2.76Å; E186-K331 PolarHBondContact OE1-NZ 3.39Å; E186-K331 IonicContact OE2-NZ 2.73Å; E186-K331 PolarHBondContact OE2-NZ 2.79Å
187	Y	98.4	Very high	98.7	Very high	74 Å²	74	27.6 Å²	27.6	29%	0.29	14%	0.144	S	C	.	.	S	Bend	trans	-159.9	152.2	-177.8	-159.6	-128.3	0	0	0	112.2	R114 K125 D156 A183 Y189	R114-Y187 VanDerWaalsContact NH2-CE1 3.32Å; K125-Y187 HydrophobicContact CB-CD1 4.48Å; K125-Y187 HydrophobicContact CB-CE1 4.12Å; K125-Y187 HydrophobicContact CD-CD1 4.29Å; K125-Y187 HydrophobicContact CD-CE1 3.57Å; K125-Y187 HydrophobicContact CG-CE1 3.81Å; D156-Y187 WeakPolarHBondContact OD2-CE1 3.5Å; D156-Y187 PolarHBondContact OD2-OH 3.39Å; A183-Y187 PolarHBondContact O-N 2.86Å; A183-Y187 VanDerWaalsContact O-N 3.15Å; Y187-Y189 VanDerWaalsContact CB-CE2 3.46Å; Y187-Y189 HydrophobicContact CD1-CD1 4.05Å; Y187-Y189 AromaticContact CD1-CE1 3.8Å; Y187-Y189 HydrophobicContact CD1-CE1 3.8Å; Y187-Y189 HydrophobicContact CD1-CE2 4.38Å; Y187-Y189 HydrophobicContact CD1-CG 4.45Å; Y187-Y189 AromaticContact CD1-CZ 3.97Å; Y187-Y189 HydrophobicContact CG-CE2 4.44Å; Y187-Y189 VanDerWaalsContact O-CD2 3.28Å; Y187-Y189 WeakPolarHBondContact O-CD2 3.31Å; Y187-Y189 PolarHBondContact O-N 3.05Å
188	D	98.4	Very high	98.7	Very high	96 Å²	96	28.3 Å²	28.3	51%	0.513	15%	0.148	S	C	.	.			trans	-77.2	71.6	176.6	-177.8	39.8	0	0	0	111.4	K125 K242	K125-D188 WeakPolarHBondContact CD-O 3.47Å; K125-D188 IonicContact NZ-OD2 2.61Å; D188-K242 IonicContact OD1-NZ 3.38Å
189	Y	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.			trans	-70.9	134	175.2	-66.2	-73.5	0	0	0	111.3	R114 K125 V126 A127 Y160 A183 Y187	R114-Y189 WeakPolarHBondContact CD-OH 3.25Å; R114-Y189 VanDerWaalsContact CZ-OH 3.31Å; R114-Y189 PolarHBondContact NE-OH 2.96Å; K125-Y189 HydrophobicContact CB-CD1 4.13Å; V126-Y189 VanDerWaalsContact O-CE1 3.29Å; V126-Y189 WeakPolarHBondContact O-CE1 3.47Å; A127-Y189 HydrophobicContact CB-CD1 3.96Å; A127-Y189 HydrophobicContact CB-CD2 3.82Å; A127-Y189 HydrophobicContact CB-CE1 4.25Å; A127-Y189 HydrophobicContact CB-CE2 4.1Å; A127-Y189 HydrophobicContact CB-CG 3.73Å; A127-Y189 VanDerWaalsContact N-CD1 3.35Å; Y160-Y189 AromaticContact CE2-CE2 3.75Å; Y160-Y189 HydrophobicContact CE2-CE2 3.75Å; Y160-Y189 AromaticContact CE2-CZ 3.78Å; Y160-Y189 WeakPolarHBondContact CE2-OH 3.49Å; Y160-Y189 AromaticContact CZ-CE2 3.81Å; Y160-Y189 WeakPolarHBondContact OH-CE2 3.42Å; Y160-Y189 PolarHBondContact OH-OH 3.38Å; A183-Y189 HydrophobicContact CB-CD2 4.03Å; A183-Y189 HydrophobicContact CB-CE2 4.07Å; A183-Y189 WeakPolarHBondContact O-CD2 3.3Å; A183-Y189 WeakPolarHBondContact O-CE2 3.2Å; Y187-Y189 VanDerWaalsContact CB-CE2 3.46Å; Y187-Y189 HydrophobicContact CD1-CD1 4.05Å; Y187-Y189 AromaticContact CD1-CE1 3.8Å; Y187-Y189 HydrophobicContact CD1-CE1 3.8Å; Y187-Y189 HydrophobicContact CD1-CE2 4.38Å; Y187-Y189 HydrophobicContact CD1-CG 4.45Å; Y187-Y189 AromaticContact CD1-CZ 3.97Å; Y187-Y189 HydrophobicContact CG-CE2 4.44Å; Y187-Y189 VanDerWaalsContact O-CD2 3.28Å; Y187-Y189 WeakPolarHBondContact O-CD2 3.31Å; Y187-Y189 PolarHBondContact O-N 3.05Å
190	G	98.8	Very high	98.6	Very high	41 Å²	41	28.3 Å²	28.3	42%	0.423	15%	0.148	S	C	.	.	S	Bend	trans	-99.9	-16.1	174.9	0	0	0	0	0	113.5	K125 S241 K242	K125-G190 PolarHBondContact O-N 2.67Å; K125-G190 VanDerWaalsContact O-N 3.17Å; G190-S241 WeakPolarHBondContact O-CA 3.43Å; G190-K242 PolarHBondContact O-N 3.16Å
191	C	98.9	Very high	98.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.2	-176.1	175.7	0	0	0	0	111.1	K125 V126 A127 R209 C210	K125-C191 PolarHBondContact O-N 3.17Å; K125-C191 VanDerWaalsContact O-N 3.08Å; V126-C191 CarbonylContact C-O 3.5Å; V126-C191 WeakPolarHBondContact CA-O 3.39Å; V126-C191 HydrophobicContact CG2-CB 4.09Å; A127-C191 PolarHBondContact N-O 3.32Å; C191-R209 VanDerWaalsContact SG-C 3.57Å; C191-C210 WeakPolarHBondContact CA-SG 3.48Å; C191-C210 HydrophobicContact CB-CB 3.73Å; C191-C210 WeakPolarHBondContact CB-SG 3.33Å; C191-C210 WeakPolarHBondContact SG-CB 3.43Å; C191-C210 PolarHBondContact SG-N 3Å; C191-C210 CovalentContact SG-SG 2.03Å; C191-C210 PolarHBondContact SG-SG 2.81Å
192	F	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.7	180	-58.3	-91.7	0	0	0	109.1	A127 I129 Y180 L184 F194 S239 M240 K242	A127-F192 HydrophobicContact CB-CD1 3.79Å; A127-F192 HydrophobicContact CB-CE1 4.04Å; A127-F192 CarbonylContact O-C 3.45Å; A127-F192 WeakPolarHBondContact O-CA 3.44Å; I129-F192 HydrophobicContact CD1-CB 4.38Å; I129-F192 HydrophobicContact CD1-CD1 3.85Å; Y180-F192 AromaticContact CD2-CD1 3.58Å; Y180-F192 HydrophobicContact CD2-CD1 3.58Å; Y180-F192 AromaticContact CD2-CD2 3.76Å; Y180-F192 HydrophobicContact CD2-CD2 3.76Å; Y180-F192 AromaticContact CD2-CE1 3.53Å; Y180-F192 HydrophobicContact CD2-CE1 3.53Å; Y180-F192 AromaticContact CD2-CE2 3.75Å; Y180-F192 HydrophobicContact CD2-CE2 3.75Å; Y180-F192 AromaticContact CD2-CG 3.7Å; Y180-F192 HydrophobicContact CD2-CG 3.7Å; Y180-F192 AromaticContact CD2-CZ 3.63Å; Y180-F192 HydrophobicContact CD2-CZ 3.63Å; Y180-F192 HydrophobicContact CE2-CD1 4.22Å; Y180-F192 AromaticContact CE2-CD2 3.67Å; Y180-F192 HydrophobicContact CE2-CD2 3.67Å; Y180-F192 AromaticContact CE2-CE1 3.91Å; Y180-F192 HydrophobicContact CE2-CE1 3.91Å; Y180-F192 AromaticContact CE2-CE2 3.35Å; Y180-F192 HydrophobicContact CE2-CE2 3.35Å; Y180-F192 HydrophobicContact CE2-CG 4.12Å; Y180-F192 AromaticContact CE2-CZ 3.47Å; Y180-F192 HydrophobicContact CE2-CZ 3.47Å; Y180-F192 VanDerWaalsContact CE2-CZ 3.47Å; Y180-F192 HydrophobicContact CG-CD1 4.4Å; Y180-F192 HydrophobicContact CG-CE1 4.24Å; L184-F192 HydrophobicContact CD1-CE1 4.49Å; L184-F192 HydrophobicContact CD1-CZ 3.92Å; L184-F192 HydrophobicContact CD2-CZ 3.84Å; L184-F192 HydrophobicContact CG-CE1 4.1Å; L184-F192 HydrophobicContact CG-CZ 3.73Å; F192-F194 HydrophobicContact CB-CE1 4.22Å; F192-F194 HydrophobicContact CB-CE2 4Å; F192-F194 HydrophobicContact CB-CZ 3.65Å; F192-S239 CarbonylContact O-C 3.57Å; F192-S239 WeakPolarHBondContact O-CA 3.25Å; F192-S239 WeakPolarHBondContact O-CB 3.37Å; F192-M240 PolarHBondContact N-O 2.91Å; F192-M240 PolarHBondContact O-N 3.36Å; F192-K242 HydrophobicContact CE2-CB 3.91Å; F192-K242 HydrophobicContact CE2-CG 4.2Å
193	V	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.7	171.4	177.5	0	0	0	0	107.5	V126 A127 I128 I129 Y208 L217 V237 S238	V126-V193 HydrophobicContact CG1-CB 4.41Å; V126-V193 HydrophobicContact CG1-CG2 3.6Å; A127-V193 PolarHBondContact O-N 2.99Å; I128-V193 CarbonylContact C-O 3.44Å; I128-V193 WeakPolarHBondContact CA-O 3.44Å; I128-V193 HydrophobicContact CG1-CB 4.3Å; I128-V193 HydrophobicContact CG2-CB 4.41Å; I128-V193 HydrophobicContact CG2-CG1 4.4Å; I129-V193 PolarHBondContact N-O 2.86Å; V193-Y208 HydrophobicContact CG1-CD1 3.79Å; V193-Y208 HydrophobicContact CG1-CE1 4.28Å; V193-L217 HydrophobicContact CG1-CD1 4.1Å; V193-V237 HydrophobicContact CG1-CG1 3.99Å; V193-S238 CarbonylContact C-O 3.51Å; V193-S238 WeakPolarHBondContact CA-O 3.32Å
194	F	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.9	176.7	-51.4	-77.4	0	0	0	107.4	I129 L176 F192 V237 S238 M240 F245 F251	I129-F194 HydrophobicContact CB-CD1 4.09Å; I129-F194 HydrophobicContact CD1-CD1 3.96Å; I129-F194 HydrophobicContact CD1-CE1 3.59Å; I129-F194 HydrophobicContact CG2-CD1 4.37Å; L176-F194 HydrophobicContact CB-CD1 3.88Å; L176-F194 HydrophobicContact CB-CE1 4.29Å; L176-F194 HydrophobicContact CD1-CB 4.09Å; L176-F194 HydrophobicContact CD1-CD1 4.37Å; L176-F194 HydrophobicContact CD1-CG 4.43Å; L176-F194 HydrophobicContact CD2-CB 4.01Å; L176-F194 HydrophobicContact CD2-CD1 3.95Å; L176-F194 HydrophobicContact CD2-CG 4.43Å; L176-F194 HydrophobicContact CG-CD1 4.25Å; F192-F194 HydrophobicContact CB-CE1 4.22Å; F192-F194 HydrophobicContact CB-CE2 4Å; F192-F194 HydrophobicContact CB-CZ 3.65Å; F194-V237 VanDerWaalsContact O-CA 3.29Å; F194-V237 WeakPolarHBondContact O-CA 3.13Å; F194-S238 PolarHBondContact N-O 3.02Å; F194-S238 PolarHBondContact O-N 2.83Å; F194-M240 HydrophobicContact CE2-CB 4.21Å; F194-M240 HydrophobicContact CE2-CG 4.01Å; F194-M240 HydrophobicContact CE2-SD 4.08Å; F194-F245 HydrophobicContact CE1-CE2 4.01Å; F194-F245 HydrophobicContact CE2-CD2 4.01Å; F194-F245 HydrophobicContact CE2-CE2 4.18Å; F194-F245 AromaticContact CZ-CD2 3.53Å; F194-F245 HydrophobicContact CZ-CD2 3.53Å; F194-F245 AromaticContact CZ-CE2 3.42Å; F194-F245 HydrophobicContact CZ-CE2 3.42Å; F194-F245 VanDerWaalsContact CZ-CE2 3.42Å; F194-F245 HydrophobicContact CZ-CZ 4.38Å; F194-F251 AromaticContact CD1-CE2 3.9Å; F194-F251 HydrophobicContact CD1-CE2 3.9Å; F194-F251 HydrophobicContact CD1-CZ 4.5Å; F194-F251 AromaticContact CD2-CE2 3.87Å; F194-F251 HydrophobicContact CD2-CE2 3.87Å; F194-F251 AromaticContact CD2-CZ 3.68Å; F194-F251 HydrophobicContact CD2-CZ 3.68Å; F194-F251 AromaticContact CE1-CE2 3.93Å; F194-F251 HydrophobicContact CE1-CE2 3.93Å; F194-F251 HydrophobicContact CE1-CZ 4.38Å; F194-F251 AromaticContact CE2-CE2 3.93Å; F194-F251 HydrophobicContact CE2-CE2 3.93Å; F194-F251 AromaticContact CE2-CZ 3.58Å; F194-F251 HydrophobicContact CE2-CZ 3.58Å; F194-F251 AromaticContact CG-CE2 3.85Å; F194-F251 HydrophobicContact CG-CE2 3.85Å; F194-F251 HydrophobicContact CG-CZ 4.16Å; F194-F251 AromaticContact CZ-CE2 3.95Å; F194-F251 HydrophobicContact CZ-CE2 3.95Å; F194-F251 AromaticContact CZ-CZ 3.95Å; F194-F251 HydrophobicContact CZ-CZ 3.95Å
195	S	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127	-172	-173.7	0	0	0	0	110.6	I129 I130 P131 W142	I129-S195 PolarHBondContact O-N 3.49Å; I130-S195 WeakPolarHBondContact CA-O 3.45Å; P131-S195 VanDerWaalsContact CD-O 3.27Å; P131-S195 WeakPolarHBondContact CD-O 3.16Å; W142-S195 PolarHBondContact NE1-OG 2.87Å
196	D	98.4	Very high	98.6	Very high	29 Å²	29	25.1 Å²	25.1	16%	0.155	13%	0.126	C	C	.	.			trans	-62.5	142.3	161.7	-62.1	-15.2	0	0	0	109.5	R172 D198 L199 G236	R172-D196 IonicContact CZ-OD1 3.7Å; R172-D196 VanDerWaalsContact CZ-OD1 3.23Å; R172-D196 IonicContact NE-OD1 3.83Å; R172-D196 PolarHBondContact NE-OD1 2.98Å; R172-D196 IonicContact NE-OD2 2.77Å; R172-D196 IonicContact NH2-OD1 2.68Å; R172-D196 PolarHBondContact NH2-OD1 3.02Å; R172-D196 IonicContact NH2-OD2 3.09Å; D196-D198 VanDerWaalsContact CB-OD1 3.29Å; D196-D198 WeakPolarHBondContact CB-OD1 3.42Å; D196-D198 PolarHBondContact O-N 2.87Å; D196-L199 HydrophobicContact CB-CD1 4.17Å; D196-L199 HydrophobicContact CB-CG 4.34Å; D196-L199 PolarHBondContact O-N 2.81Å; D196-G236 PolarHBondContact N-O 2.83Å; D196-G236 VanDerWaalsContact OD2-CA 3.3Å; D196-G236 WeakPolarHBondContact OD2-CA 3.26Å
197	V	98.5	Very high	98.6	Very high	11 Å²	11	22.2 Å²	22.2	7%	0.067	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.7	-174.7	70.7	0	0	0	0	112.9	I130 F132 R135 H138 L139 W142	I130-V197 HydrophobicContact CG2-CB 3.63Å; I130-V197 HydrophobicContact CG2-CG2 3.98Å; F132-V197 HydrophobicContact CD2-CG2 4.2Å; F132-V197 HydrophobicContact CE2-CG2 4.35Å; R135-V197 HydrophobicContact CB-CG1 3.93Å; R135-V197 HydrophobicContact CG-CG1 4.15Å; H138-V197 HydrophobicContact CB-CG1 4.09Å; H138-V197 HydrophobicContact CB-CG2 4.17Å; L139-V197 HydrophobicContact CB-CG2 3.92Å; L139-V197 HydrophobicContact CD1-CG2 4.19Å; W142-V197 HydrophobicContact CB-CG2 4.4Å
198	D	97.7	Very high	98.6	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.08	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.6	-175.1	66.4	-17	0	0	0	113.5	D196 M288 I289 H291	D196-D198 VanDerWaalsContact CB-OD1 3.29Å; D196-D198 WeakPolarHBondContact CB-OD1 3.42Å; D196-D198 PolarHBondContact O-N 2.87Å; D198-M288 CarbonylContact O-C 3.58Å; D198-M288 VanDerWaalsContact O-CA 3.26Å; D198-M288 WeakPolarHBondContact O-CA 3.26Å; D198-M288 WeakPolarHBondContact OD2-CE 3.28Å; D198-I289 HydrophobicContact CB-CB 4.12Å; D198-I289 PolarHBondContact O-N 3.46Å; D198-H291 IonicContact OD2-CD2 3.76Å; D198-H291 IonicContact OD2-NE2 2.8Å; D198-H291 PolarHBondContact OD2-NE2 2.98Å
199	L	98.5	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.1	-179.5	-69.4	178.2	0	0	0	112	D196 M221 V237 M288	D196-L199 HydrophobicContact CB-CD1 4.17Å; D196-L199 HydrophobicContact CB-CG 4.34Å; D196-L199 PolarHBondContact O-N 2.81Å; L199-M221 HydrophobicContact CD1-SD 4Å; L199-M221 HydrophobicContact CD2-CG 4.15Å; L199-M221 HydrophobicContact CD2-SD 3.9Å; L199-V237 HydrophobicContact CB-CG2 3.9Å; L199-V237 HydrophobicContact CD1-CG2 3.97Å; L199-M288 HydrophobicContact CD2-CB 3.96Å; L199-M288 HydrophobicContact CD2-CG 4.16Å
200	I	98.8	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.7	180	-50.4	-58.5	0	0	0	109.8	I91 F93 W142 Y145 L146 C286 R287	I91-I200 HydrophobicContact CD1-CG2 3.8Å; I91-I200 HydrophobicContact CG1-CG2 4.06Å; I91-I200 HydrophobicContact CG2-CB 3.92Å; I91-I200 HydrophobicContact CG2-CG1 4.41Å; I91-I200 HydrophobicContact CG2-CG2 3.72Å; F93-I200 HydrophobicContact CE1-CG1 3.92Å; F93-I200 HydrophobicContact CZ-CG1 4.06Å; W142-I200 HydrophobicContact CB-CD1 4.14Å; W142-I200 HydrophobicContact CG-CD1 4.27Å; Y145-I200 HydrophobicContact CD1-CG2 4.45Å; Y145-I200 HydrophobicContact CD2-CD1 4.47Å; Y145-I200 HydrophobicContact CD2-CG1 4.28Å; Y145-I200 HydrophobicContact CD2-CG2 3.89Å; Y145-I200 HydrophobicContact CG-CG2 3.71Å; L146-I200 HydrophobicContact CD2-CD1 3.72Å; L146-I200 HydrophobicContact CD2-CG2 4.12Å; I200-C286 CarbonylContact O-C 3.59Å; I200-C286 VanDerWaalsContact O-CA 3.23Å; I200-C286 WeakPolarHBondContact O-CA 3.36Å; I200-R287 PolarHBondContact N-O 3.17Å; I200-R287 PolarHBondContact O-N 3.1Å
201	P	98.6	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	141.5	176.1	30.3	-32.9	0	0	0	110.7	L146 I149 Y208	L146-P201 HydrophobicContact CD1-CG 3.81Å; L146-P201 HydrophobicContact CD2-CG 4.49Å; I149-P201 HydrophobicContact CD1-CG 3.86Å; P201-Y208 HydrophobicContact CB-CE2 3.99Å; P201-Y208 WeakPolarHBondContact CD-OH 3.27Å; P201-Y208 HydrophobicContact CG-CE2 3.78Å; P201-Y208 WeakPolarHBondContact CG-OH 3.18Å
202	M	98.8	Very high	98.6	Very high	42 Å²	42	22.7 Å²	22.7	21%	0.207	12%	0.115	C	C	.	.	S	Bend	trans	-98	5.8	179.8	-59.9	178.7	64.9	0	0	112.9	P88 L89 I91 F226 K285 R287	P88-M202 CarbonylContact C-O 3.48Å; P88-M202 WeakPolarHBondContact CA-O 3.48Å; L89-M202 PolarHBondContact N-O 2.79Å; I91-M202 HydrophobicContact CG1-CB 4.48Å; I91-M202 HydrophobicContact CG1-CG 4.02Å; M202-F226 HydrophobicContact SD-CE1 3.73Å; M202-F226 HydrophobicContact SD-CZ 4.1Å; M202-K285 HydrophobicContact CB-CB 3.98Å; M202-K285 HydrophobicContact CG-CB 4.34Å; M202-K285 PolarHBondContact N-O 3.4Å; M202-K285 HydrophobicContact SD-CB 4.03Å; M202-R287 HydrophobicContact CG-CB 4.14Å; M202-R287 HydrophobicContact SD-CB 4.08Å
203	D	98.8	Very high	98.6	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-153.4	121.2	179.9	-163.8	-47.6	0	0	0	109.4	G87 R205 N206 V283	G87-D203 WeakPolarHBondContact CA-OD1 3.41Å; G87-D203 WeakPolarHBondContact O-CA 3.34Å; D203-R205 PolarHBondContact O-N 3.33Å; D203-R205 WeakPolarHBondContact OD1-CB 3.29Å; D203-R205 VanDerWaalsContact OD1-CG 3.29Å; D203-R205 WeakPolarHBondContact OD1-CG 3.19Å; D203-R205 IonicContact OD1-CZ 2.86Å; D203-R205 PolarHBondContact OD1-N 3.28Å; D203-R205 IonicContact OD1-NE 3.92Å; D203-R205 PolarHBondContact OD1-NE 3.23Å; D203-R205 IonicContact OD1-NH2 2.72Å; D203-R205 IonicContact OD2-CZ 3.91Å; D203-R205 IonicContact OD2-NE 3.12Å; D203-R205 PolarHBondContact OD2-NE 2.69Å; D203-R205 IonicContact OD2-NH2 2.85Å; D203-R205 PolarHBondContact OD2-NH2 3.22Å; D203-N206 WeakPolarHBondContact O-CB 3.47Å; D203-N206 PolarHBondContact O-N 3.33Å; D203-N206 VanDerWaalsContact O-N 3.12Å; D203-V283 WeakPolarHBondContact CB-O 3.41Å
204	D	98.7	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7	-176.5	66.7	7.9	0	0	0	114	L85 V86 G87 L89 I149 R152 Q153 N206	L85-D204 HydrophobicContact CD2-CB 4.32Å; L85-D204 WeakPolarHBondContact CD2-O 3.09Å; V86-D204 WeakPolarHBondContact CG2-OD2 3.15Å; V86-D204 PolarHBondContact N-OD1 2.91Å; V86-D204 VanDerWaalsContact N-OD1 3.09Å; V86-D204 PolarHBondContact N-OD2 3.16Å; G87-D204 WeakPolarHBondContact CA-OD1 3.16Å; G87-D204 PolarHBondContact N-OD1 2.83Å; G87-D204 PolarHBondContact O-N 2.99Å; G87-D204 VanDerWaalsContact O-N 3.15Å; L89-D204 HydrophobicContact CD1-CB 4.29Å; I149-D204 HydrophobicContact CG1-CB 4.33Å; I149-D204 HydrophobicContact CG2-CB 3.93Å; R152-D204 IonicContact CZ-OD2 3.38Å; R152-D204 VanDerWaalsContact CZ-OD2 3.29Å; R152-D204 IonicContact NE-OD2 2.6Å; R152-D204 PolarHBondContact NE-OD2 3.36Å; R152-D204 IonicContact NH2-OD2 3.55Å; R152-D204 PolarHBondContact NH2-OD2 3.09Å; Q153-D204 PolarHBondContact NE2-O 3.2Å; D204-N206 PolarHBondContact O-N 3.21Å
205	R	98.6	Very high	98.5	Very high	127 Å²	127	26.8 Å²	26.8	48%	0.479	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.7	166.6	-58	172.6	-66.9	-179.2	-0.5	112.1	L85 D203 T207 V283	L85-R205 HydrophobicContact CB-CG 4.49Å; L85-R205 HydrophobicContact CD1-CG 4.29Å; D203-R205 PolarHBondContact O-N 3.33Å; D203-R205 WeakPolarHBondContact OD1-CB 3.29Å; D203-R205 VanDerWaalsContact OD1-CG 3.29Å; D203-R205 WeakPolarHBondContact OD1-CG 3.19Å; D203-R205 IonicContact OD1-CZ 2.86Å; D203-R205 PolarHBondContact OD1-N 3.28Å; D203-R205 IonicContact OD1-NE 3.92Å; D203-R205 PolarHBondContact OD1-NE 3.23Å; D203-R205 IonicContact OD1-NH2 2.72Å; D203-R205 IonicContact OD2-CZ 3.91Å; D203-R205 IonicContact OD2-NE 3.12Å; D203-R205 PolarHBondContact OD2-NE 2.69Å; D203-R205 IonicContact OD2-NH2 2.85Å; D203-R205 PolarHBondContact OD2-NH2 3.22Å; R205-T207 VanDerWaalsContact C-N 3.33Å; R205-T207 PolarHBondContact O-N 2.93Å; R205-V283 VanDerWaalsContact C-CG1 3.5Å; R205-V283 HydrophobicContact CB-CG1 3.93Å; R205-V283 HydrophobicContact CB-CG2 4.48Å
206	N	98.6	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.133	C	C	.	.	S	Bend	trans	-76.8	83.8	167.2	-165.6	9.6	0	0	0	109.5	Q153 D203 D204 Y208 L217 V283	Q153-N206 PolarHBondContact NE2-O 2.85Å; D203-N206 WeakPolarHBondContact O-CB 3.47Å; D203-N206 PolarHBondContact O-N 3.33Å; D203-N206 VanDerWaalsContact O-N 3.12Å; D204-N206 PolarHBondContact O-N 3.21Å; N206-Y208 VanDerWaalsContact O-CD2 3.29Å; N206-Y208 WeakPolarHBondContact O-CD2 3.29Å; N206-Y208 PolarHBondContact O-N 3.47Å; N206-L217 PolarHBondContact ND2-O 3.12Å; N206-L217 VanDerWaalsContact OD1-CD2 3.31Å; N206-L217 WeakPolarHBondContact OD1-CD2 3.39Å; N206-V283 HydrophobicContact CB-CG1 3.8Å; N206-V283 VanDerWaalsContact N-CG1 3.31Å
207	T	98.1	Very high	98.5	Very high	25 Å²	25	25.4 Å²	25.4	15%	0.153	13%	0.126	C	C	.	.			trans	-70.5	125.3	-172.7	-43.3	0	0	0	0	112.9	Q153 L155 R205 R209	Q153-T207 HydrophobicContact CB-CG2 4.15Å; Q153-T207 HydrophobicContact CG-CG2 4.13Å; L155-T207 HydrophobicContact CD2-CG2 4.41Å; R205-T207 VanDerWaalsContact C-N 3.33Å; R205-T207 PolarHBondContact O-N 2.93Å; T207-R209 HydrophobicContact CG2-CB 4.19Å; T207-R209 HydrophobicContact CG2-CG 3.72Å; T207-R209 PolarHBondContact O-N 3.08Å
208	Y	98.7	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.			trans	-80.7	65.3	-179.6	-83.6	-131.6	0	0	0	110.5	L146 L150 L155 V193 P201 N206 L217 V237	L146-Y208 HydrophobicContact CD1-CD1 4.26Å; L146-Y208 HydrophobicContact CD1-CE1 3.82Å; L146-Y208 HydrophobicContact CD1-CE2 4.48Å; L150-Y208 HydrophobicContact CD2-CD1 4.18Å; L150-Y208 HydrophobicContact CD2-CG 3.99Å; L155-Y208 VanDerWaalsContact CD1-O 3.31Å; L155-Y208 WeakPolarHBondContact CD1-O 3.49Å; V193-Y208 HydrophobicContact CG1-CD1 3.79Å; V193-Y208 HydrophobicContact CG1-CE1 4.28Å; P201-Y208 HydrophobicContact CB-CE2 3.99Å; P201-Y208 WeakPolarHBondContact CD-OH 3.27Å; P201-Y208 HydrophobicContact CG-CE2 3.78Å; P201-Y208 WeakPolarHBondContact CG-OH 3.18Å; N206-Y208 VanDerWaalsContact O-CD2 3.29Å; N206-Y208 WeakPolarHBondContact O-CD2 3.29Å; N206-Y208 PolarHBondContact O-N 3.47Å; Y208-L217 HydrophobicContact CD2-CD1 4.4Å; Y208-L217 HydrophobicContact CG-CD1 4.35Å; Y208-V237 HydrophobicContact CE1-CG1 3.84Å
209	R	98.1	Very high	98.4	Very high	49 Å²	49	24.6 Å²	24.6	19%	0.185	12%	0.122	C	C	.	.	S	Bend	trans	-139.2	179.4	-179.9	75.4	175.3	172.4	132.8	-12.4	111.1	D80 L155 C191 T207 F211 S239	D80-R209 PolarHBondContact O-NH2 2.86Å; L155-R209 HydrophobicContact CD2-CB 4.09Å; C191-R209 VanDerWaalsContact SG-C 3.57Å; T207-R209 HydrophobicContact CG2-CB 4.19Å; T207-R209 HydrophobicContact CG2-CG 3.72Å; T207-R209 PolarHBondContact O-N 3.08Å; R209-F211 HydrophobicContact CG-CE2 3.98Å; R209-F211 HydrophobicContact CG-CZ 4.12Å; R209-F211 WeakPolarHBondContact O-CE2 3.46Å; R209-S239 PolarHBondContact O-OG 3.38Å
210	C	98.8	Very high	98.3	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.034	12%	0.123	C	C	.	.			trans	-101.4	154.3	-177.5	-63.9	0	0	0	0	111.5	Q124 C191 M240	Q124-C210 PolarHBondContact NE2-O 3.16Å; Q124-C210 PolarHBondContact OE1-O 3.1Å; C191-C210 WeakPolarHBondContact CA-SG 3.48Å; C191-C210 HydrophobicContact CB-CB 3.73Å; C191-C210 WeakPolarHBondContact CB-SG 3.33Å; C191-C210 WeakPolarHBondContact SG-CB 3.43Å; C191-C210 PolarHBondContact SG-N 3Å; C191-C210 CovalentContact SG-SG 2.03Å; C191-C210 PolarHBondContact SG-SG 2.81Å; C210-M240 PolarHBondContact SG-O 2.8Å
211	F	98.5	Very high	98.2	Very high	56 Å²	56	24.8 Å²	24.8	25%	0.246	12%	0.123	C	C	.	.			trans	-128.3	175.4	-176.6	-66	-97	0	0	0	110.2	R209 Q213 R215 Q244	R209-F211 HydrophobicContact CG-CE2 3.98Å; R209-F211 HydrophobicContact CG-CZ 4.12Å; R209-F211 WeakPolarHBondContact O-CE2 3.46Å; F211-Q213 PolarHBondContact O-N 3.44Å; F211-Q213 VanDerWaalsContact O-N 3.16Å; F211-R215 HydrophobicContact CD2-CB 3.92Å; F211-R215 HydrophobicContact CD2-CG 3.66Å; F211-R215 HydrophobicContact CE2-CG 3.88Å; F211-Q244 PolarHBondContact O-NE2 3.43Å
212	S	98.1	Very high	98.1	Very high	113 Å²	113	26.3 Å²	26.3	79%	0.79	13%	0.131	S	C	*	.	S	Bend	trans	-57.4	-27.9	177.4	54.3	0	0	0	0	113.3	Q244	S212-Q244 VanDerWaalsContact C-NE2 3.29Å; S212-Q244 PolarHBondContact O-NE2 3.05Å
213	Q	98.8	Very high	97.8	Very high	57 Å²	57	28.7 Å²	28.7	27%	0.266	14%	0.14	S	C	.	.	S	Bend	trans	-118.8	151	173.7	-72.3	-61	-27.4	0	0	110.2	F211 R215 Q244 T275	F211-Q213 PolarHBondContact O-N 3.44Å; F211-Q213 VanDerWaalsContact O-N 3.16Å; Q213-R215 PolarHBondContact O-N 3.42Å; Q213-Q244 VanDerWaalsContact C-NE2 3.35Å; Q213-T275 WeakPolarHBondContact CB-O 3.49Å; Q213-T275 PolarHBondContact OE1-O 3.28Å
214	P	98.8	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.			trans	-48.5	132.7	172.9	-24.4	30.5	0	0	0	111	F234 M240 Q244 L269 M274 T275 I276 S277	P214-F234 HydrophobicContact CB-CZ 4.1Å; P214-M240 HydrophobicContact CB-CE 4.28Å; P214-M240 HydrophobicContact CG-CE 4.35Å; P214-Q244 HydrophobicContact CG-CG 4.5Å; P214-L269 HydrophobicContact CB-CD1 3.78Å; P214-L269 HydrophobicContact CB-CD2 3.95Å; P214-L269 HydrophobicContact CB-CG 4.48Å; P214-L269 HydrophobicContact CG-CD1 4.05Å; P214-L269 HydrophobicContact CG-CD2 3.33Å; P214-L269 HydrophobicContact CG-CG 4.23Å; P214-M274 HydrophobicContact CG-CB 3.92Å; P214-M274 HydrophobicContact CG-CG 4.39Å; P214-M274 HydrophobicContact CG-SD 3.78Å; P214-T275 WeakPolarHBondContact CD-O 3.23Å; P214-I276 HydrophobicContact CB-CD1 4.32Å; P214-S277 PolarHBondContact O-N 3.43Å
215	R	98.8	Very high	97.3	Very high	28 Å²	28	34.8 Å²	34.8	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.3	-169.8	-175.2	70.2	168.7	-174.5	-3.8	110	F211 Q213 L217 S238 S239 S277 R278 P279	F211-R215 HydrophobicContact CD2-CB 3.92Å; F211-R215 HydrophobicContact CD2-CG 3.66Å; F211-R215 HydrophobicContact CE2-CG 3.88Å; Q213-R215 PolarHBondContact O-N 3.42Å; R215-L217 HydrophobicContact CG-CD2 3.65Å; R215-L217 HydrophobicContact CG-CG 3.97Å; R215-S238 CarbonylContact O-C 3.53Å; R215-S238 WeakPolarHBondContact O-CA 3.27Å; R215-S238 WeakPolarHBondContact O-CB 3.14Å; R215-S239 VanDerWaalsContact CB-OG 3.31Å; R215-S239 WeakPolarHBondContact CB-OG 3.41Å; R215-S239 PolarHBondContact N-O 3.04Å; R215-S239 PolarHBondContact O-N 3.36Å; R215-S277 WeakPolarHBondContact CA-O 3.31Å; R215-S277 WeakPolarHBondContact CD-O 3.48Å; R215-S277 PolarHBondContact NH1-OG 2.65Å; R215-R278 PolarHBondContact NH1-O 2.71Å; R215-P279 VanDerWaalsContact CZ-N 3.26Å; R215-P279 VanDerWaalsContact NH2-CA 3.29Å; R215-P279 VanDerWaalsContact NH2-N 3.18Å
216	H	98.8	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.2	164.7	177.8	-158	0	0	0	108	S218 V219 Y233 F234 G235 V237 I276 S277 R278 P279	H216-S218 PolarHBondContact NE2-O 2.86Å; H216-S218 VanDerWaalsContact NE2-O 3.11Å; H216-S218 PolarHBondContact NE2-OG 3.45Å; H216-S218 VanDerWaalsContact NE2-OG 3.11Å; H216-V219 HydrophobicContact CB-CG1 4.35Å; H216-V219 VanDerWaalsContact O-CG1 3.3Å; H216-V219 WeakPolarHBondContact O-CG1 3.26Å; H216-Y233 AromaticContact CE1-CD1 3.59Å; H216-Y233 AromaticContact CE1-CE1 3.98Å; H216-Y233 PolarHBondContact ND1-O 3.43Å; H216-F234 HydrophobicContact CB-CD2 3.71Å; H216-F234 HydrophobicContact CB-CE2 3.77Å; H216-G235 PolarHBondContact NE2-O 2.86Å; H216-V237 PolarHBondContact CD2-O 3.21Å; H216-I276 HydrophobicContact CB-CG2 3.7Å; H216-S277 PolarHBondContact N-O 2.61Å; H216-R278 HydrophobicContact CB-CG 4.1Å; H216-R278 PolarHBondContact ND1-NE 2.61Å; H216-P279 WeakPolarHBondContact O-CD 3.41Å
217	L	98.6	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.			trans	-94.5	-33.5	-173.4	-67.5	166.4	0	0	0	112.5	V193 N206 Y208 R215 V219 V237	V193-L217 HydrophobicContact CG1-CD1 4.1Å; N206-L217 PolarHBondContact ND2-O 3.12Å; N206-L217 VanDerWaalsContact OD1-CD2 3.31Å; N206-L217 WeakPolarHBondContact OD1-CD2 3.39Å; Y208-L217 HydrophobicContact CD2-CD1 4.4Å; Y208-L217 HydrophobicContact CG-CD1 4.35Å; R215-L217 HydrophobicContact CG-CD2 3.65Å; R215-L217 HydrophobicContact CG-CG 3.97Å; L217-V219 PolarHBondContact O-N 2.97Å; L217-V237 HydrophobicContact CB-CB 4.11Å; L217-V237 HydrophobicContact CB-CG1 3.96Å; L217-V237 WeakPolarHBondContact CB-O 3.41Å; L217-V237 HydrophobicContact CD1-CG1 3.88Å; L217-V237 PolarHBondContact N-O 2.93Å
218	S	97.6	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.			trans	-92.6	53.9	-177.8	54.4	0	0	0	0	114.2	H216 S220 M221 G235 V237	H216-S218 PolarHBondContact NE2-O 2.86Å; H216-S218 VanDerWaalsContact NE2-O 3.11Å; H216-S218 PolarHBondContact NE2-OG 3.45Å; H216-S218 VanDerWaalsContact NE2-OG 3.11Å; S218-S220 VanDerWaalsContact C-N 3.34Å; S218-S220 PolarHBondContact O-N 2.97Å; S218-M221 WeakPolarHBondContact O-CE 3.15Å; S218-G235 PolarHBondContact OG-O 2.92Å; S218-V237 PolarHBondContact N-O 3.37Å; S218-V237 PolarHBondContact OG-N 3.07Å
219	V	96.1	Very high	96.7	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	23%	0.231	C	C	.	.			trans	-76.4	-17.3	-169.2	-55.9	0	0	0	0	114.8	H216 L217 R278 P279 G284	H216-V219 HydrophobicContact CB-CG1 4.35Å; H216-V219 VanDerWaalsContact O-CG1 3.3Å; H216-V219 WeakPolarHBondContact O-CG1 3.26Å; L217-V219 PolarHBondContact O-N 2.97Å; V219-R278 HydrophobicContact CG1-CB 3.86Å; V219-R278 HydrophobicContact CG1-CG 3.6Å; V219-P279 HydrophobicContact CG1-CG 4.29Å; V219-P279 HydrophobicContact CG2-CG 3.95Å; V219-G284 PolarHBondContact N-O 3.03Å
220	S	96.3	Very high	96.5	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	81.3	-175.5	-176.5	0	0	0	0	110	S218 F226 G281 G284 K285 C286	S218-S220 VanDerWaalsContact C-N 3.34Å; S218-S220 PolarHBondContact O-N 2.97Å; S220-F226 WeakPolarHBondContact O-CD1 3.4Å; S220-F226 VanDerWaalsContact OG-CA 3.23Å; S220-F226 WeakPolarHBondContact OG-CA 3.41Å; S220-F226 VanDerWaalsContact OG-CB 3.26Å; S220-F226 WeakPolarHBondContact OG-CB 3.43Å; S220-F226 PolarHBondContact OG-O 2.78Å; S220-G281 WeakPolarHBondContact CB-O 3.46Å; S220-G281 PolarHBondContact OG-O 3.28Å; S220-G284 PolarHBondContact N-O 3.12Å; S220-K285 CarbonylContact O-C 3.55Å; S220-K285 VanDerWaalsContact O-CA 3.23Å; S220-K285 WeakPolarHBondContact O-CA 3.46Å; S220-C286 PolarHBondContact O-N 3.23Å
221	M	97.1	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.3	-179	-70.6	171.4	-89.6	0	0	112.1	L199 S218 K223 F224 G225 F226 Y233 C286	L199-M221 HydrophobicContact CD1-SD 4Å; L199-M221 HydrophobicContact CD2-CG 4.15Å; L199-M221 HydrophobicContact CD2-SD 3.9Å; S218-M221 WeakPolarHBondContact O-CE 3.15Å; M221-K223 VanDerWaalsContact C-N 3.28Å; M221-K223 HydrophobicContact CB-CG 4.17Å; M221-K223 PolarHBondContact O-N 3.47Å; M221-K223 HydrophobicContact SD-CD 4.45Å; M221-F224 HydrophobicContact CB-CD2 4.04Å; M221-F224 HydrophobicContact CE-CD2 3.64Å; M221-F224 HydrophobicContact CE-CE2 3.54Å; M221-F224 CarbonylContact O-C 3.57Å; M221-F224 PolarHBondContact O-N 3.44Å; M221-F224 HydrophobicContact SD-CD2 4.2Å; M221-F224 HydrophobicContact SD-CE2 4.09Å; M221-G225 PolarHBondContact O-N 2.8Å; M221-F226 WeakPolarHBondContact O-CA 3.47Å; M221-F226 PolarHBondContact O-N 3.01Å; M221-Y233 HydrophobicContact CE-CD1 4.39Å; M221-Y233 HydrophobicContact CE-CE1 3.39Å; M221-C286 WeakPolarHBondContact CA-O 3.41Å; M221-C286 HydrophobicContact CG-CB 4.12Å
222	D	94.7	Very high	96.2	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.171	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-57.9	-38	176.8	69.5	-26.2	0	0	0	113	F224 G225 F226 C286 R287 M288	D222-F224 PolarHBondContact O-N 2.87Å; D222-F224 VanDerWaalsContact O-N 3.11Å; D222-G225 PolarHBondContact O-N 2.6Å; D222-F226 HydrophobicContact CB-CE1 3.73Å; D222-F226 HydrophobicContact CB-CE2 4.03Å; D222-F226 HydrophobicContact CB-CZ 3.46Å; D222-F226 VanDerWaalsContact CB-CZ 3.46Å; D222-C286 PolarHBondContact N-O 3.38Å; D222-R287 VanDerWaalsContact OD2-CG 3.23Å; D222-R287 WeakPolarHBondContact OD2-CG 3.27Å; D222-M288 WeakPolarHBondContact OD1-CB 3.4Å; D222-M288 PolarHBondContact OD1-N 3.4Å
223	K	92.8	Very high	96.2	Very high	92 Å²	92	50.1 Å²	50.1	40%	0.4	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-58.5	-23.8	175.9	83.3	-173	-166.7	-176.8	0	114	M221 M288	M221-K223 VanDerWaalsContact C-N 3.28Å; M221-K223 HydrophobicContact CB-CG 4.17Å; M221-K223 PolarHBondContact O-N 3.47Å; M221-K223 HydrophobicContact SD-CD 4.45Å; K223-M288 HydrophobicContact CB-SD 4.05Å; K223-M288 HydrophobicContact CD-CB 4.45Å; K223-M288 HydrophobicContact CD-CE 4.43Å; K223-M288 HydrophobicContact CD-CG 4.34Å; K223-M288 HydrophobicContact CD-SD 3.24Å; K223-M288 WeakPolarHBondContact CD-SD 3.33Å; K223-M288 HydrophobicContact CG-SD 4.27Å
224	F	92.4	Very high	96.1	Very high	79 Å²	79	47.6 Å²	47.6	35%	0.346	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-108.3	21.3	177.9	-58.9	-48.2	0	0	0	112.2	M221 D222 F226 R227 P229	M221-F224 HydrophobicContact CB-CD2 4.04Å; M221-F224 HydrophobicContact CE-CD2 3.64Å; M221-F224 HydrophobicContact CE-CE2 3.54Å; M221-F224 CarbonylContact O-C 3.57Å; M221-F224 PolarHBondContact O-N 3.44Å; M221-F224 HydrophobicContact SD-CD2 4.2Å; M221-F224 HydrophobicContact SD-CE2 4.09Å; D222-F224 PolarHBondContact O-N 2.87Å; D222-F224 VanDerWaalsContact O-N 3.11Å; F224-F226 VanDerWaalsContact C-N 3.28Å; F224-F226 PolarHBondContact O-N 2.86Å; F224-R227 WeakPolarHBondContact CB-O 3.38Å; F224-R227 PolarHBondContact O-N 3.28Å; F224-P229 HydrophobicContact CB-CG 4.46Å; F224-P229 HydrophobicContact CD1-CG 4.31Å; F224-P229 HydrophobicContact CD2-CG 3.42Å; F224-P229 VanDerWaalsContact CD2-CG 3.42Å; F224-P229 HydrophobicContact CE1-CG 4.37Å; F224-P229 HydrophobicContact CE2-CG 3.48Å; F224-P229 VanDerWaalsContact CE2-CG 3.48Å; F224-P229 HydrophobicContact CG-CG 3.85Å; F224-P229 HydrophobicContact CZ-CG 3.96Å
225	G	95.4	Very high	96	Very high	52 Å²	52	47.8 Å²	47.8	54%	0.536	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	32.5	-179.6	0	0	0	0	0	113	M221 D222 R227	M221-G225 PolarHBondContact O-N 2.8Å; D222-G225 PolarHBondContact O-N 2.6Å; G225-R227 PolarHBondContact O-N 3.27Å
226	F	96.8	Very high	95.9	Very high	82 Å²	82	46.5 Å²	46.5	36%	0.36	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	30.9	-177.3	-62.7	-70.9	0	0	0	114	M202 S220 M221 D222 F224 K285	M202-F226 HydrophobicContact SD-CE1 3.73Å; M202-F226 HydrophobicContact SD-CZ 4.1Å; S220-F226 WeakPolarHBondContact O-CD1 3.4Å; S220-F226 VanDerWaalsContact OG-CA 3.23Å; S220-F226 WeakPolarHBondContact OG-CA 3.41Å; S220-F226 VanDerWaalsContact OG-CB 3.26Å; S220-F226 WeakPolarHBondContact OG-CB 3.43Å; S220-F226 PolarHBondContact OG-O 2.78Å; M221-F226 WeakPolarHBondContact O-CA 3.47Å; M221-F226 PolarHBondContact O-N 3.01Å; D222-F226 HydrophobicContact CB-CE1 3.73Å; D222-F226 HydrophobicContact CB-CE2 4.03Å; D222-F226 HydrophobicContact CB-CZ 3.46Å; D222-F226 VanDerWaalsContact CB-CZ 3.46Å; F224-F226 VanDerWaalsContact C-N 3.28Å; F224-F226 PolarHBondContact O-N 2.86Å; F226-K285 HydrophobicContact CD1-CB 4.34Å; F226-K285 HydrophobicContact CD1-CD 4Å; F226-K285 HydrophobicContact CD1-CG 3.89Å; F226-K285 HydrophobicContact CE1-CB 4.34Å; F226-K285 HydrophobicContact CE1-CD 4.18Å; F226-K285 HydrophobicContact CE1-CG 4.27Å
227	R	93.9	Very high	95.9	Very high	192 Å²	192	46.5 Å²	46.5	73%	0.725	23%	0.228	S	C	*	.	S	Bend	trans	-121.1	150.3	175.8	-64.2	177.8	-177.1	176.8	0.6	110.7	F224 G225	F224-R227 WeakPolarHBondContact CB-O 3.38Å; F224-R227 PolarHBondContact O-N 3.28Å; G225-R227 PolarHBondContact O-N 3.27Å
228	L	95.2	Very high	96	Very high	48 Å²	48	46.7 Å²	46.7	25%	0.251	23%	0.23	S	C	.	.			trans	-70.2	127.4	170.3	-172.6	69.9	0	0	0	108.3	Y230 Y233	L228-Y230 VanDerWaalsContact C-N 3.33Å; L228-Y230 WeakPolarHBondContact CD2-O 3.43Å; L228-Y230 WeakPolarHBondContact CG-O 3.34Å; L228-Y230 PolarHBondContact O-N 2.78Å; L228-Y233 HydrophobicContact CD1-CD1 4.05Å
229	P	94.3	Very high	96	Very high	53 Å²	53	46.7 Å²	46.7	34%	0.344	23%	0.23	S	C	.	.	S	Bend	trans	-57.5	-44.5	-177.8	-28.8	36.8	0	0	0	113.4	F224 Y233	F224-P229 HydrophobicContact CB-CG 4.46Å; F224-P229 HydrophobicContact CD1-CG 4.31Å; F224-P229 HydrophobicContact CD2-CG 3.42Å; F224-P229 VanDerWaalsContact CD2-CG 3.42Å; F224-P229 HydrophobicContact CE1-CG 4.37Å; F224-P229 HydrophobicContact CE2-CG 3.48Å; F224-P229 VanDerWaalsContact CE2-CG 3.48Å; F224-P229 HydrophobicContact CG-CG 3.85Å; F224-P229 HydrophobicContact CZ-CG 3.96Å; P229-Y233 HydrophobicContact CB-CD2 4.25Å; P229-Y233 HydrophobicContact CB-CG 4.39Å; P229-Y233 HydrophobicContact CG-CD1 4.33Å; P229-Y233 HydrophobicContact CG-CD2 4.03Å; P229-Y233 HydrophobicContact CG-CE2 4.25Å; P229-Y233 HydrophobicContact CG-CG 4.06Å
230	Y	95.8	Very high	96.1	Very high	90 Å²	90	46.2 Å²	46.2	35%	0.353	23%	0.227	S	C	.	.	S	Bend	trans	-160.9	160.2	175.2	48.1	-89.9	0	0	0	109.5	L228 Q232 Y233 D263	L228-Y230 VanDerWaalsContact C-N 3.33Å; L228-Y230 WeakPolarHBondContact CD2-O 3.43Å; L228-Y230 WeakPolarHBondContact CG-O 3.34Å; L228-Y230 PolarHBondContact O-N 2.78Å; Y230-Q232 HydrophobicContact CD2-CB 3.98Å; Y230-Q232 HydrophobicContact CE2-CB 4.2Å; Y230-Q232 PolarHBondContact O-N 2.85Å; Y230-Q232 VanDerWaalsContact O-N 3.15Å; Y230-Y233 AromaticContact CE1-CD2 3.9Å; Y230-Y233 HydrophobicContact CE1-CD2 3.9Å; Y230-Y233 HydrophobicContact CE2-CD2 4.35Å; Y230-Y233 AromaticContact CZ-CD2 3.72Å; Y230-Y233 WeakPolarHBondContact O-CB 3.44Å; Y230-Y233 PolarHBondContact O-N 3.06Å; Y230-D263 VanDerWaalsContact CE2-OD1 3.29Å; Y230-D263 WeakPolarHBondContact CE2-OD1 3.46Å; Y230-D263 PolarHBondContact OH-OD1 3.38Å; Y230-D263 PolarHBondContact OH-OD2 3.33Å
231	N	95.3	Very high	96.3	Very high	124 Å²	124	47.2 Å²	47.2	66%	0.663	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.5	-169	-73	-17.9	0	0	0	114.3	R278	N231-R278 PolarHBondContact O-NH1 3Å; N231-R278 VanDerWaalsContact O-NH1 3.09Å; N231-R278 PolarHBondContact O-NH2 3.25Å
232	Q	95.7	Very high	96.4	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.1	-179.5	-61	78.8	2.5	0	0	113	Y230 F234 F266	Y230-Q232 HydrophobicContact CD2-CB 3.98Å; Y230-Q232 HydrophobicContact CE2-CB 4.2Å; Y230-Q232 PolarHBondContact O-N 2.85Å; Y230-Q232 VanDerWaalsContact O-N 3.15Å; Q232-F234 PolarHBondContact O-N 2.72Å; Q232-F266 HydrophobicContact CB-CD1 3.77Å; Q232-F266 HydrophobicContact CB-CD2 4.18Å; Q232-F266 HydrophobicContact CB-CE1 3.64Å; Q232-F266 HydrophobicContact CB-CE2 4.04Å; Q232-F266 HydrophobicContact CB-CG 4.06Å; Q232-F266 HydrophobicContact CB-CZ 3.78Å; Q232-F266 HydrophobicContact CG-CD1 4.03Å; Q232-F266 HydrophobicContact CG-CE1 3.39Å; Q232-F266 HydrophobicContact CG-CE2 4.24Å; Q232-F266 HydrophobicContact CG-CZ 3.52Å; Q232-F266 WeakPolarHBondContact O-CD2 3.41Å; Q232-F266 VanDerWaalsContact O-CG 3.31Å; Q232-F266 WeakPolarHBondContact O-CG 3.32Å
233	Y	96.3	Very high	96.6	Very high	20 Å²	20	56.1 Å²	56.1	8%	0.078	27%	0.274	C	S	.	.			trans	-59.4	126.1	-174.7	-177.1	-89.8	0	0	0	112.1	H216 M221 L228 P229 Y230 G235 R278	H216-Y233 AromaticContact CE1-CD1 3.59Å; H216-Y233 AromaticContact CE1-CE1 3.98Å; H216-Y233 PolarHBondContact ND1-O 3.43Å; M221-Y233 HydrophobicContact CE-CD1 4.39Å; M221-Y233 HydrophobicContact CE-CE1 3.39Å; L228-Y233 HydrophobicContact CD1-CD1 4.05Å; P229-Y233 HydrophobicContact CB-CD2 4.25Å; P229-Y233 HydrophobicContact CB-CG 4.39Å; P229-Y233 HydrophobicContact CG-CD1 4.33Å; P229-Y233 HydrophobicContact CG-CD2 4.03Å; P229-Y233 HydrophobicContact CG-CE2 4.25Å; P229-Y233 HydrophobicContact CG-CG 4.06Å; Y230-Y233 AromaticContact CE1-CD2 3.9Å; Y230-Y233 HydrophobicContact CE1-CD2 3.9Å; Y230-Y233 HydrophobicContact CE2-CD2 4.35Å; Y230-Y233 AromaticContact CZ-CD2 3.72Å; Y230-Y233 WeakPolarHBondContact O-CB 3.44Å; Y230-Y233 PolarHBondContact O-N 3.06Å; Y233-G235 VanDerWaalsContact CE1-O 3.28Å; Y233-G235 WeakPolarHBondContact CE1-O 3.5Å; Y233-R278 PolarHBondContact O-NH2 3.41Å
234	F	98	Very high	96.8	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.018	26%	0.258	C	S	.	.			trans	-132.9	9.9	-175.8	-158.7	-112.4	0	0	0	113.4	P214 H216 Q232 I265 F266 L269 I276	P214-F234 HydrophobicContact CB-CZ 4.1Å; H216-F234 HydrophobicContact CB-CD2 3.71Å; H216-F234 HydrophobicContact CB-CE2 3.77Å; Q232-F234 PolarHBondContact O-N 2.72Å; F234-I265 HydrophobicContact CD1-CG2 3.71Å; F234-I265 HydrophobicContact CE1-CG2 3.86Å; F234-F266 HydrophobicContact CB-CB 4.27Å; F234-L269 HydrophobicContact CD1-CD1 4.17Å; F234-L269 HydrophobicContact CE1-CD1 3.72Å; F234-L269 HydrophobicContact CE2-CD1 4.39Å; F234-L269 HydrophobicContact CZ-CD1 3.85Å; F234-I276 HydrophobicContact CD2-CD1 3.8Å; F234-I276 HydrophobicContact CD2-CG1 4.24Å; F234-I276 HydrophobicContact CD2-CG2 3.85Å; F234-I276 HydrophobicContact CE2-CD1 3.74Å; F234-I276 HydrophobicContact CE2-CG1 4.48Å; F234-I276 HydrophobicContact CE2-CG2 3.83Å; F234-I276 HydrophobicContact CZ-CD1 4.43Å
235	G	96.6	Very high	97.1	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.031	24%	0.241	C	C	.	.			trans	-77	174.1	175.3	0	0	0	0	0	114.1	H216 S218 Y233 V237 D262	H216-G235 PolarHBondContact NE2-O 2.86Å; S218-G235 PolarHBondContact OG-O 2.92Å; Y233-G235 VanDerWaalsContact CE1-O 3.28Å; Y233-G235 WeakPolarHBondContact CE1-O 3.5Å; G235-V237 PolarHBondContact O-N 2.65Å; G235-D262 WeakPolarHBondContact CA-OD2 3.37Å; G235-D262 PolarHBondContact N-OD2 3.45Å
236	G	97.5	Very high	97.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	87.3	-102.2	-177.9	0	0	0	0	0	112.7	R172 D196	R172-G236 PolarHBondContact NH2-O 2.84Å; D196-G236 PolarHBondContact N-O 2.83Å; D196-G236 VanDerWaalsContact OD2-CA 3.3Å; D196-G236 WeakPolarHBondContact OD2-CA 3.26Å
237	V	98.8	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.8	-179.1	-168.2	0	0	0	0	110.3	V193 F194 L199 Y208 H216 L217 S218 G235	V193-V237 HydrophobicContact CG1-CG1 3.99Å; F194-V237 VanDerWaalsContact O-CA 3.29Å; F194-V237 WeakPolarHBondContact O-CA 3.13Å; L199-V237 HydrophobicContact CB-CG2 3.9Å; L199-V237 HydrophobicContact CD1-CG2 3.97Å; Y208-V237 HydrophobicContact CE1-CG1 3.84Å; H216-V237 PolarHBondContact CD2-O 3.21Å; L217-V237 HydrophobicContact CB-CB 4.11Å; L217-V237 HydrophobicContact CB-CG1 3.96Å; L217-V237 WeakPolarHBondContact CB-O 3.41Å; L217-V237 HydrophobicContact CD1-CG1 3.88Å; L217-V237 PolarHBondContact N-O 2.93Å; S218-V237 PolarHBondContact N-O 3.37Å; S218-V237 PolarHBondContact OG-N 3.07Å; G235-V237 PolarHBondContact O-N 2.65Å
238	S	98.9	Very high	97.6	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.8	177.8	63.1	0	0	0	0	111.7	V193 F194 R215	V193-S238 CarbonylContact C-O 3.51Å; V193-S238 WeakPolarHBondContact CA-O 3.32Å; F194-S238 PolarHBondContact N-O 3.02Å; F194-S238 PolarHBondContact O-N 2.83Å; R215-S238 CarbonylContact O-C 3.53Å; R215-S238 WeakPolarHBondContact O-CA 3.27Å; R215-S238 WeakPolarHBondContact O-CB 3.14Å
239	S	98.8	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.1	172.8	76.4	0	0	0	0	113	F192 R209 R215	F192-S239 CarbonylContact O-C 3.57Å; F192-S239 WeakPolarHBondContact O-CA 3.25Å; F192-S239 WeakPolarHBondContact O-CB 3.37Å; R209-S239 PolarHBondContact O-OG 3.38Å; R215-S239 VanDerWaalsContact CB-OG 3.31Å; R215-S239 WeakPolarHBondContact CB-OG 3.41Å; R215-S239 PolarHBondContact N-O 3.04Å; R215-S239 PolarHBondContact O-N 3.36Å
240	M	98.8	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.4	-177.3	-51.9	-178.4	92.8	0	0	110.1	F192 F194 C210 P214 Q244 F245 I248 F251 L269	F192-M240 PolarHBondContact N-O 2.91Å; F192-M240 PolarHBondContact O-N 3.36Å; F194-M240 HydrophobicContact CE2-CB 4.21Å; F194-M240 HydrophobicContact CE2-CG 4.01Å; F194-M240 HydrophobicContact CE2-SD 4.08Å; C210-M240 PolarHBondContact SG-O 2.8Å; P214-M240 HydrophobicContact CB-CE 4.28Å; P214-M240 HydrophobicContact CG-CE 4.35Å; M240-Q244 HydrophobicContact CB-CB 4.22Å; M240-Q244 HydrophobicContact CE-CB 4.45Å; M240-F245 HydrophobicContact CB-CB 4.38Å; M240-F245 HydrophobicContact SD-CD2 3.96Å; M240-I248 HydrophobicContact CE-CD1 3.75Å; M240-I248 HydrophobicContact CE-CG1 4.4Å; M240-I248 HydrophobicContact SD-CD1 4.37Å; M240-F251 HydrophobicContact SD-CE1 3.54Å; M240-F251 VanDerWaalsContact SD-CE1 3.54Å; M240-F251 HydrophobicContact SD-CZ 3.75Å; M240-L269 HydrophobicContact CE-CD1 3.92Å; M240-L269 HydrophobicContact CE-CD2 3.16Å; M240-L269 HydrophobicContact CE-CG 3.89Å
241	S	98.9	Very high	98.1	Very high	25 Å²	25	33.4 Å²	33.4	18%	0.175	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	159.5	168.1	75.5	0	0	0	0	110.4	G190 E243 Q244 F245	G190-S241 WeakPolarHBondContact O-CA 3.43Å; S241-E243 PolarHBondContact O-N 3.17Å; S241-Q244 PolarHBondContact O-N 3.18Å; S241-Q244 VanDerWaalsContact O-N 3.16Å; S241-Q244 VanDerWaalsContact OG-CG 3.29Å; S241-Q244 WeakPolarHBondContact OG-CG 3.3Å; S241-Q244 PolarHBondContact OG-N 2.82Å; S241-Q244 VanDerWaalsContact OG-N 3.1Å; S241-F245 PolarHBondContact O-N 3.48Å
242	K	98.8	Very high	98.3	Very high	72 Å²	72	27.5 Å²	27.5	31%	0.313	13%	0.132	S	C	.	.	H	α-helix	trans	-49.4	-43.1	172.7	-167.5	174.8	-176.2	170.8	0	111.7	Y180 L184 D188 G190 F192 L246	Y180-K242 WeakPolarHBondContact OH-CG 3.42Å; L184-K242 HydrophobicContact CD2-CD 4.47Å; D188-K242 IonicContact OD1-NZ 3.38Å; G190-K242 PolarHBondContact O-N 3.16Å; F192-K242 HydrophobicContact CE2-CB 3.91Å; F192-K242 HydrophobicContact CE2-CG 4.2Å; K242-L246 HydrophobicContact CG-CD1 4.23Å; K242-L246 WeakPolarHBondContact O-CB 3.29Å; K242-L246 VanDerWaalsContact O-CG 3.27Å; K242-L246 WeakPolarHBondContact O-CG 3.26Å; K242-L246 PolarHBondContact O-N 3.12Å; K242-L246 VanDerWaalsContact O-N 3.11Å
243	E	98.8	Very high	98.4	Very high	147 Å²	147	23.8 Å²	23.8	69%	0.687	12%	0.115	S	C	*	.	H	α-helix	trans	-66.7	-48.7	178.9	-172.6	-169.9	161.9	0	0	112.3	S241 F245 L246 K247	S241-E243 PolarHBondContact O-N 3.17Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 3.34Å; E243-L246 PolarHBondContact O-N 3.2Å; E243-K247 VanDerWaalsContact O-CB 3.28Å; E243-K247 WeakPolarHBondContact O-CB 3Å; E243-K247 PolarHBondContact O-N 3.11Å
244	Q	98.9	Very high	98.3	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.065	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-43.1	179.4	-72.7	163.6	-8.9	0	0	111.3	F211 S212 Q213 P214 M240 S241 K247 M274	F211-Q244 PolarHBondContact O-NE2 3.43Å; S212-Q244 VanDerWaalsContact C-NE2 3.29Å; S212-Q244 PolarHBondContact O-NE2 3.05Å; Q213-Q244 VanDerWaalsContact C-NE2 3.35Å; P214-Q244 HydrophobicContact CG-CG 4.5Å; M240-Q244 HydrophobicContact CB-CB 4.22Å; M240-Q244 HydrophobicContact CE-CB 4.45Å; S241-Q244 PolarHBondContact O-N 3.18Å; S241-Q244 VanDerWaalsContact O-N 3.16Å; S241-Q244 VanDerWaalsContact OG-CG 3.29Å; S241-Q244 WeakPolarHBondContact OG-CG 3.3Å; S241-Q244 PolarHBondContact OG-N 2.82Å; S241-Q244 VanDerWaalsContact OG-N 3.1Å; Q244-K247 PolarHBondContact O-N 3.11Å; Q244-M274 HydrophobicContact CB-SD 4.06Å; Q244-M274 HydrophobicContact CG-SD 3.81Å
245	F	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-46.2	178.8	-170.6	-92.6	0	0	0	112.2	N177 Y180 F194 M240 S241 E243 K247 I248 G250 F251 I319	N177-F245 WeakPolarHBondContact OD1-CZ 3.31Å; Y180-F245 HydrophobicContact CD1-CD1 4.01Å; Y180-F245 AromaticContact CD1-CE1 3.6Å; Y180-F245 HydrophobicContact CD1-CE1 3.6Å; Y180-F245 HydrophobicContact CD1-CZ 4.41Å; Y180-F245 AromaticContact CD2-CD1 3.52Å; Y180-F245 HydrophobicContact CD2-CD1 3.52Å; Y180-F245 HydrophobicContact CD2-CD2 4.43Å; Y180-F245 AromaticContact CD2-CE1 3.64Å; Y180-F245 HydrophobicContact CD2-CE1 3.64Å; Y180-F245 AromaticContact CD2-CG 3.92Å; Y180-F245 HydrophobicContact CD2-CG 3.92Å; Y180-F245 HydrophobicContact CD2-CZ 4.14Å; Y180-F245 AromaticContact CE1-CD1 3.94Å; Y180-F245 HydrophobicContact CE1-CD1 3.94Å; Y180-F245 AromaticContact CE1-CE1 3.95Å; Y180-F245 HydrophobicContact CE1-CE1 3.95Å; Y180-F245 HydrophobicContact CE2-CB 4.09Å; Y180-F245 AromaticContact CE2-CD1 3.41Å; Y180-F245 HydrophobicContact CE2-CD1 3.41Å; Y180-F245 VanDerWaalsContact CE2-CD1 3.41Å; Y180-F245 AromaticContact CE2-CE1 3.97Å; Y180-F245 HydrophobicContact CE2-CE1 3.97Å; Y180-F245 AromaticContact CE2-CG 3.87Å; Y180-F245 HydrophobicContact CE2-CG 3.87Å; Y180-F245 AromaticContact CG-CD1 3.82Å; Y180-F245 HydrophobicContact CG-CD1 3.82Å; Y180-F245 AromaticContact CG-CE1 3.45Å; Y180-F245 HydrophobicContact CG-CE1 3.45Å; Y180-F245 VanDerWaalsContact CG-CE1 3.45Å; Y180-F245 AromaticContact CG-CZ 3.92Å; Y180-F245 HydrophobicContact CG-CZ 3.92Å; Y180-F245 AromaticContact CZ-CD1 3.65Å; F194-F245 HydrophobicContact CE1-CE2 4.01Å; F194-F245 HydrophobicContact CE2-CD2 4.01Å; F194-F245 HydrophobicContact CE2-CE2 4.18Å; F194-F245 AromaticContact CZ-CD2 3.53Å; F194-F245 HydrophobicContact CZ-CD2 3.53Å; F194-F245 AromaticContact CZ-CE2 3.42Å; F194-F245 HydrophobicContact CZ-CE2 3.42Å; F194-F245 VanDerWaalsContact CZ-CE2 3.42Å; F194-F245 HydrophobicContact CZ-CZ 4.38Å; M240-F245 HydrophobicContact CB-CB 4.38Å; M240-F245 HydrophobicContact SD-CD2 3.96Å; S241-F245 PolarHBondContact O-N 3.48Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 3.34Å; F245-K247 VanDerWaalsContact C-N 3.33Å; F245-K247 PolarHBondContact O-N 3.28Å; F245-I248 WeakPolarHBondContact O-CG1 3.36Å; F245-I248 PolarHBondContact O-N 2.84Å; F245-G250 PolarHBondContact O-N 3.42Å; F245-F251 HydrophobicContact CD2-CD1 4.49Å; F245-F251 HydrophobicContact CD2-CE1 4.04Å; F245-F251 HydrophobicContact CD2-CZ 4.14Å; F245-F251 AromaticContact CE2-CD1 3.94Å; F245-F251 HydrophobicContact CE2-CD1 3.94Å; F245-F251 HydrophobicContact CE2-CD2 4.06Å; F245-F251 AromaticContact CE2-CE1 3.8Å; F245-F251 HydrophobicContact CE2-CE1 3.8Å; F245-F251 AromaticContact CE2-CE2 3.9Å; F245-F251 HydrophobicContact CE2-CE2 3.9Å; F245-F251 HydrophobicContact CE2-CG 4.09Å; F245-F251 AromaticContact CE2-CZ 3.78Å; F245-F251 HydrophobicContact CE2-CZ 3.78Å; F245-I319 HydrophobicContact CE1-CB 4.33Å; F245-I319 HydrophobicContact CE1-CD1 3.99Å; F245-I319 HydrophobicContact CE1-CG1 4.16Å; F245-I319 HydrophobicContact CZ-CD1 4.47Å
246	L	98.7	Very high	98.1	Very high	89 Å²	89	25.5 Å²	25.5	47%	0.466	12%	0.123	S	C	.	.	H	α-helix	trans	-66.1	-35.4	177.6	-70.1	173.1	0	0	0	112.4	Y180 K242 E243 I248 N249	Y180-L246 HydrophobicContact CE1-CD2 4.4Å; Y180-L246 WeakPolarHBondContact OH-CD2 3.49Å; Y180-L246 WeakPolarHBondContact OH-CG 3.39Å; K242-L246 HydrophobicContact CG-CD1 4.23Å; K242-L246 WeakPolarHBondContact O-CB 3.29Å; K242-L246 VanDerWaalsContact O-CG 3.27Å; K242-L246 WeakPolarHBondContact O-CG 3.26Å; K242-L246 PolarHBondContact O-N 3.12Å; K242-L246 VanDerWaalsContact O-N 3.11Å; E243-L246 PolarHBondContact O-N 3.2Å; L246-I248 PolarHBondContact O-N 3.39Å; L246-N249 PolarHBondContact O-N 3.39Å
247	K	98.7	Very high	97.8	Very high	103 Å²	103	26 Å²	26	45%	0.448	13%	0.128	S	C	.	.	H	α-helix	trans	-59.8	-29.7	179.5	-171.8	173.2	-179.3	-173.9	0	112.9	E243 Q244 F245 K272 M274	E243-K247 VanDerWaalsContact O-CB 3.28Å; E243-K247 WeakPolarHBondContact O-CB 3Å; E243-K247 PolarHBondContact O-N 3.11Å; Q244-K247 PolarHBondContact O-N 3.11Å; F245-K247 VanDerWaalsContact C-N 3.33Å; F245-K247 PolarHBondContact O-N 3.28Å; K247-K272 HydrophobicContact CD-CB 4.37Å; K247-K272 WeakPolarHBondContact CE-O 3.38Å; K247-K272 HydrophobicContact CG-CB 4.18Å; K247-K272 HydrophobicContact CG-CD 4.44Å; K247-K272 HydrophobicContact CG-CG 4.27Å; K247-K272 PolarHBondContact NZ-O 3.33Å; K247-K272 VanDerWaalsContact O-CE 3.25Å; K247-K272 WeakPolarHBondContact O-CE 3.23Å; K247-M274 HydrophobicContact CB-CE 4.4Å; K247-M274 HydrophobicContact CD-CE 4.12Å; K247-M274 HydrophobicContact CD-SD 4.42Å; K247-M274 HydrophobicContact CG-CE 4.36Å
248	I	98.7	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	7	176.4	61.9	160	0	0	0	114.3	M240 F245 L246 G250 F251 R268 L269 K272 M274 M314	M240-I248 HydrophobicContact CE-CD1 3.75Å; M240-I248 HydrophobicContact CE-CG1 4.4Å; M240-I248 HydrophobicContact SD-CD1 4.37Å; F245-I248 WeakPolarHBondContact O-CG1 3.36Å; F245-I248 PolarHBondContact O-N 2.84Å; L246-I248 PolarHBondContact O-N 3.39Å; I248-G250 VanDerWaalsContact C-N 3.26Å; I248-G250 PolarHBondContact O-N 3.09Å; I248-F251 HydrophobicContact CD1-CD1 4.08Å; I248-F251 HydrophobicContact CD1-CE1 4.08Å; I248-R268 HydrophobicContact CB-CB 3.93Å; I248-R268 HydrophobicContact CD1-CB 4.31Å; I248-R268 HydrophobicContact CG2-CB 4Å; I248-R268 WeakPolarHBondContact CG2-O 3.3Å; I248-L269 HydrophobicContact CD1-CD2 4.36Å; I248-L269 HydrophobicContact CG2-CD2 3.97Å; I248-K272 HydrophobicContact CG2-CB 4.28Å; I248-K272 HydrophobicContact CG2-CG 3.85Å; I248-M274 HydrophobicContact CG2-CE 3.53Å; I248-M314 HydrophobicContact CB-CE 4.4Å
249	N	98.8	Very high	96.7	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.027	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	35.7	-171.9	-174.6	40.3	0	0	0	112.3	L246 M314 G318 I319 K320	L246-N249 PolarHBondContact O-N 3.39Å; N249-M314 WeakPolarHBondContact CB-O 3.23Å; N249-M314 PolarHBondContact ND2-O 2.98Å; N249-G318 CarbonylContact O-C 3.48Å; N249-G318 WeakPolarHBondContact O-CA 3.4Å; N249-I319 PolarHBondContact O-N 3.48Å; N249-K320 WeakPolarHBondContact OD1-CB 3.48Å; N249-K320 WeakPolarHBondContact OD1-CD 3.36Å; N249-K320 WeakPolarHBondContact OD1-CG 3.29Å; N249-K320 PolarHBondContact OD1-N 2.91Å
250	G	98.7	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	60.2	-158.8	-173.9	0	0	0	0	0	113.6	F245 I248 R268	F245-G250 PolarHBondContact O-N 3.42Å; I248-G250 VanDerWaalsContact C-N 3.26Å; I248-G250 PolarHBondContact O-N 3.09Å; G250-R268 PolarHBondContact O-NH1 3.16Å
251	F	98.8	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-93.4	159.1	-175.3	-59.4	-21.1	0	0	0	112	A173 L176 N177 F194 M240 F245 I248 I265 G318	A173-F251 HydrophobicContact CB-CB 4.09Å; L176-F251 HydrophobicContact CB-CD2 3.7Å; L176-F251 HydrophobicContact CB-CE2 3.89Å; L176-F251 HydrophobicContact CD1-CD2 3.85Å; L176-F251 HydrophobicContact CD1-CE2 3.71Å; L176-F251 HydrophobicContact CG-CD2 4.43Å; L176-F251 HydrophobicContact CG-CE2 4.44Å; N177-F251 PolarHBondContact ND2-O 3.5Å; N177-F251 PolarHBondContact OD1-N 3.12Å; F194-F251 AromaticContact CD1-CE2 3.9Å; F194-F251 HydrophobicContact CD1-CE2 3.9Å; F194-F251 HydrophobicContact CD1-CZ 4.5Å; F194-F251 AromaticContact CD2-CE2 3.87Å; F194-F251 HydrophobicContact CD2-CE2 3.87Å; F194-F251 AromaticContact CD2-CZ 3.68Å; F194-F251 HydrophobicContact CD2-CZ 3.68Å; F194-F251 AromaticContact CE1-CE2 3.93Å; F194-F251 HydrophobicContact CE1-CE2 3.93Å; F194-F251 HydrophobicContact CE1-CZ 4.38Å; F194-F251 AromaticContact CE2-CE2 3.93Å; F194-F251 HydrophobicContact CE2-CE2 3.93Å; F194-F251 AromaticContact CE2-CZ 3.58Å; F194-F251 HydrophobicContact CE2-CZ 3.58Å; F194-F251 AromaticContact CG-CE2 3.85Å; F194-F251 HydrophobicContact CG-CE2 3.85Å; F194-F251 HydrophobicContact CG-CZ 4.16Å; F194-F251 AromaticContact CZ-CE2 3.95Å; F194-F251 HydrophobicContact CZ-CE2 3.95Å; F194-F251 AromaticContact CZ-CZ 3.95Å; F194-F251 HydrophobicContact CZ-CZ 3.95Å; M240-F251 HydrophobicContact SD-CE1 3.54Å; M240-F251 VanDerWaalsContact SD-CE1 3.54Å; M240-F251 HydrophobicContact SD-CZ 3.75Å; F245-F251 HydrophobicContact CD2-CD1 4.49Å; F245-F251 HydrophobicContact CD2-CE1 4.04Å; F245-F251 HydrophobicContact CD2-CZ 4.14Å; F245-F251 AromaticContact CE2-CD1 3.94Å; F245-F251 HydrophobicContact CE2-CD1 3.94Å; F245-F251 HydrophobicContact CE2-CD2 4.06Å; F245-F251 AromaticContact CE2-CE1 3.8Å; F245-F251 HydrophobicContact CE2-CE1 3.8Å; F245-F251 AromaticContact CE2-CE2 3.9Å; F245-F251 HydrophobicContact CE2-CE2 3.9Å; F245-F251 HydrophobicContact CE2-CG 4.09Å; F245-F251 AromaticContact CE2-CZ 3.78Å; F245-F251 HydrophobicContact CE2-CZ 3.78Å; I248-F251 HydrophobicContact CD1-CD1 4.08Å; I248-F251 HydrophobicContact CD1-CE1 4.08Å; F251-I265 HydrophobicContact CB-CD1 4.01Å; F251-I265 HydrophobicContact CB-CG1 4.13Å; F251-I265 HydrophobicContact CD1-CB 4.31Å; F251-I265 HydrophobicContact CD1-CD1 3.52Å; F251-I265 HydrophobicContact CD1-CG1 3.43Å; F251-I265 VanDerWaalsContact CD1-CG1 3.43Å; F251-I265 HydrophobicContact CD1-CG2 3.92Å; F251-I265 HydrophobicContact CD2-CD1 3.78Å; F251-I265 HydrophobicContact CE1-CB 4.38Å; F251-I265 HydrophobicContact CE1-CD1 3.8Å; F251-I265 HydrophobicContact CE1-CG1 3.89Å; F251-I265 HydrophobicContact CE1-CG2 3.55Å; F251-I265 HydrophobicContact CE2-CD1 4.07Å; F251-I265 HydrophobicContact CG-CD1 3.5Å; F251-I265 VanDerWaalsContact CG-CD1 3.5Å; F251-I265 HydrophobicContact CG-CG1 3.8Å; F251-I265 HydrophobicContact CZ-CD1 4.06Å; F251-I265 HydrophobicContact CZ-CG2 4.32Å; F251-G318 VanDerWaalsContact O-CA 3.28Å; F251-G318 WeakPolarHBondContact O-CA 3.46Å
252	P	98.1	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.			trans	-64.5	142.3	176.1	28.3	-36.2	0	0	0	111.4	A173 Y255 E261 D264 D317	A173-P252 HydrophobicContact CB-CG 4.35Å; A173-P252 WeakPolarHBondContact CB-O 3.26Å; P252-Y255 HydrophobicContact CB-CD2 3.58Å; P252-Y255 HydrophobicContact CB-CE2 3.72Å; P252-Y255 HydrophobicContact CG-CD2 3.51Å; P252-Y255 HydrophobicContact CG-CE2 3.65Å; P252-Y255 HydrophobicContact CG-CG 4.42Å; P252-E261 HydrophobicContact CG-CB 4.43Å; P252-D264 HydrophobicContact CG-CB 4.14Å; P252-D264 WeakPolarHBondContact CG-OD1 3.49Å; P252-D317 WeakPolarHBondContact CA-OD2 3.34Å; P252-D317 WeakPolarHBondContact CB-OD2 3.45Å
253	N	97.7	Very high	96.2	Very high	11 Å²	11	31 Å²	31	6%	0.059	15%	0.149	C	C	.	.	S	Bend	trans	-96.3	-8.3	177.1	-55.7	-67.3	0	0	0	113	N171 K174 N177 D317 G318 L322	N171-N253 PolarHBondContact ND2-O 2.93Å; K174-N253 HydrophobicContact CB-CB 4.41Å; K174-N253 HydrophobicContact CD-CB 4.02Å; K174-N253 HydrophobicContact CG-CB 4.12Å; N177-N253 PolarHBondContact ND2-OD1 2.91Å; N253-D317 VanDerWaalsContact CB-OD1 3.26Å; N253-D317 WeakPolarHBondContact CB-OD1 3.35Å; N253-D317 VanDerWaalsContact N-CG 3.33Å; N253-D317 PolarHBondContact N-OD1 2.93Å; N253-D317 PolarHBondContact N-OD2 2.94Å; N253-D317 PolarHBondContact ND2-OD1 3.07Å; N253-G318 WeakPolarHBondContact ND2-CA 3.36Å; N253-G318 PolarHBondContact ND2-N 3.28Å; N253-G318 PolarHBondContact ND2-O 2.94Å; N253-L322 WeakPolarHBondContact OD1-CD1 3.36Å
254	N	95	Very high	96.2	Very high	39 Å²	39	24.1 Å²	24.1	21%	0.209	12%	0.117	C	C	.	.			trans	-101.6	11.9	-169.8	66.5	6.1	0	0	0	114.7	W256 R306 D317	N254-W256 PolarHBondContact O-N 2.86Å; N254-R306 PolarHBondContact ND2-NH1 2.94Å; N254-R306 PolarHBondContact O-NE 3.38Å; N254-R306 PolarHBondContact O-NH2 2.62Å; N254-D317 PolarHBondContact N-OD2 3.36Å; N254-D317 PolarHBondContact ND2-OD2 2.86Å; N254-D317 PolarHBondContact OD1-OD2 3.44Å
255	Y	95	Very high	96.2	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.012	12%	0.115	C	C	.	.			trans	-89.1	92.6	173.1	-79	-106.9	0	0	0	110.3	N171 P252 G260 E261 D264 R306 I307	N171-Y255 VanDerWaalsContact CG-O 3.29Å; N171-Y255 PolarHBondContact OD1-O 3.42Å; P252-Y255 HydrophobicContact CB-CD2 3.58Å; P252-Y255 HydrophobicContact CB-CE2 3.72Å; P252-Y255 HydrophobicContact CG-CD2 3.51Å; P252-Y255 HydrophobicContact CG-CE2 3.65Å; P252-Y255 HydrophobicContact CG-CG 4.42Å; Y255-G260 VanDerWaalsContact CE1-O 3.24Å; Y255-G260 WeakPolarHBondContact CE1-O 3.28Å; Y255-E261 HydrophobicContact CD1-CB 3.63Å; Y255-E261 HydrophobicContact CD2-CB 4.21Å; Y255-E261 HydrophobicContact CE1-CB 4.27Å; Y255-E261 HydrophobicContact CG-CB 3.57Å; Y255-D264 HydrophobicContact CE2-CB 4.04Å; Y255-D264 WeakPolarHBondContact OH-CB 3.32Å; Y255-D264 PolarHBondContact OH-OD2 3.01Å; Y255-R306 HydrophobicContact CE1-CB 4.04Å; Y255-R306 HydrophobicContact CE2-CB 3.83Å; Y255-R306 HydrophobicContact CE2-CG 4.4Å; Y255-R306 VanDerWaalsContact OH-C 3.32Å; Y255-R306 WeakPolarHBondContact OH-CB 3.11Å; Y255-I307 PolarHBondContact OH-N 3.3Å
256	W	94.3	Very high	96.2	Very high	22 Å²	22	25.1 Å²	25.1	8%	0.083	12%	0.121	C	C	.	.			trans	-97.7	118.8	174.9	-62.8	95.1	0	0	0	109.4	V169 N171 K174 N254 N300 V342 G343 K345	V169-W256 HydrophobicContact CB-CB 4.35Å; V169-W256 HydrophobicContact CB-CE3 4.21Å; V169-W256 HydrophobicContact CG1-CB 3.96Å; V169-W256 VanDerWaalsContact O-CZ3 3.26Å; V169-W256 WeakPolarHBondContact O-CZ3 3.14Å; N171-W256 HydrophobicContact CB-CD2 4.19Å; N171-W256 HydrophobicContact CB-CE3 3.66Å; N171-W256 HydrophobicContact CB-CH2 4.13Å; N171-W256 HydrophobicContact CB-CZ3 3.63Å; N171-W256 VanDerWaalsContact ND2-CE2 3.27Å; N171-W256 WeakPolarHBondContact ND2-CZ2 3.46Å; K174-W256 HydrophobicContact CD-CZ2 4.5Å; N254-W256 PolarHBondContact O-N 2.86Å; W256-N300 WeakPolarHBondContact O-CB 3.37Å; W256-V342 HydrophobicContact CH2-CG2 3.97Å; W256-V342 HydrophobicContact CZ3-CG2 4.25Å; W256-G343 WeakPolarHBondContact CH2-O 3.43Å; W256-K345 HydrophobicContact CB-CB 4.24Å; W256-K345 HydrophobicContact CB-CD 4.18Å; W256-K345 HydrophobicContact CB-CG 4.29Å; W256-K345 HydrophobicContact CD2-CB 4.08Å; W256-K345 HydrophobicContact CG-CB 3.83Å; W256-K345 HydrophobicContact CG-CG 4.08Å
257	G	91.8	Very high	96.2	Very high	10 Å²	10	23.2 Å²	23.2	10%	0.103	11%	0.111	C	C	.	.	S	Bend	trans	97.1	-170.4	-177.6	0	0	0	0	0	112.4	F170 N297	F170-G257 PolarHBondContact O-N 3.43Å; G257-N297 WeakPolarHBondContact CA-OD1 3.3Å
258	W	86.4	Confident	96.2	Very high	131 Å²	131	18.3 Å²	18.3	50%	0.496	9%	0.09	S	C	.	.	B	Isolated β-bridge	trans	-83.6	125.2	-169.5	-178.4	83.8	0	0	0	113.3	N297 E298 N300 R303	W258-N297 WeakPolarHBondContact CB-O 3.37Å; W258-N297 PolarHBondContact N-OD1 2.94Å; W258-N297 VanDerWaalsContact N-OD1 3.17Å; W258-E298 PolarHBondContact N-O 3.11Å; W258-N300 PolarHBondContact O-N 3.45Å; W258-R303 VanDerWaalsContact CZ3-NH1 3.33Å
259	G	89	Confident	96.2	Very high	10 Å²	10	18.3 Å²	18.3	10%	0.103	9%	0.09	C	C	.	.	S	Bend	trans	99.9	148.5	156.7	0	0	0	0	0	116.1	R303	G259-R303 VanDerWaalsContact O-CB 3.27Å; G259-R303 WeakPolarHBondContact O-CB 3.24Å
260	G	93.4	Very high	96.1	Very high	4 Å²	4	22.7 Å²	22.7	4%	0.041	11%	0.113	C	C	.	.	S	Bend	trans	90.2	-7.8	170.1	0	0	0	0	0	115.2	Y255 D262 D264 I307	Y255-G260 VanDerWaalsContact CE1-O 3.24Å; Y255-G260 WeakPolarHBondContact CE1-O 3.28Å; G260-D262 VanDerWaalsContact C-N 3.34Å; G260-D264 PolarHBondContact O-N 2.93Å; G260-D264 VanDerWaalsContact O-N 3.09Å; G260-I307 WeakPolarHBondContact O-CG1 3.33Å
261	E	97.1	Very high	96.1	Very high	17 Å²	17	24.9 Å²	24.9	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-71.8	-32.5	175.8	84.2	-65.1	170.9	0	0	111.4	R172 A173 P252 Y255 D264 I265	R172-E261 WeakPolarHBondContact CD-OE1 3.23Å; R172-E261 IonicContact CZ-OE1 3.4Å; R172-E261 IonicContact NE-OE1 2.93Å; R172-E261 IonicContact NH1-OE1 3.86Å; R172-E261 PolarHBondContact NH1-OE1 3.07Å; A173-E261 HydrophobicContact CB-CB 4.02Å; A173-E261 HydrophobicContact CB-CG 3.82Å; P252-E261 HydrophobicContact CG-CB 4.43Å; Y255-E261 HydrophobicContact CD1-CB 3.63Å; Y255-E261 HydrophobicContact CD2-CB 4.21Å; Y255-E261 HydrophobicContact CE1-CB 4.27Å; Y255-E261 HydrophobicContact CG-CB 3.57Å; E261-D264 PolarHBondContact O-N 3.12Å; E261-I265 WeakPolarHBondContact O-CD1 3.42Å; E261-I265 WeakPolarHBondContact O-CG1 3.29Å; E261-I265 PolarHBondContact O-N 3.28Å
262	D	96.8	Very high	96.1	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.08	14%	0.143	C	C	.	.	H	α-helix	trans	-70.2	-36.1	174.6	63	-38.6	0	0	0	112.7	G235 G260 I265 F266	G235-D262 WeakPolarHBondContact CA-OD2 3.37Å; G235-D262 PolarHBondContact N-OD2 3.45Å; G260-D262 VanDerWaalsContact C-N 3.34Å; D262-I265 PolarHBondContact O-N 3.17Å; D262-F266 PolarHBondContact O-N 2.91Å
263	D	97.3	Very high	96.1	Very high	32 Å²	32	31.2 Å²	31.2	17%	0.171	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-39.1	171.4	-66.7	-41	0	0	0	111.8	Y230 F266 N267 I307	Y230-D263 VanDerWaalsContact CE2-OD1 3.29Å; Y230-D263 WeakPolarHBondContact CE2-OD1 3.46Å; Y230-D263 PolarHBondContact OH-OD1 3.38Å; Y230-D263 PolarHBondContact OH-OD2 3.33Å; D263-F266 WeakPolarHBondContact O-CB 3.5Å; D263-F266 PolarHBondContact O-N 3.27Å; D263-N267 WeakPolarHBondContact O-CB 3.49Å; D263-N267 PolarHBondContact O-N 3.03Å; D263-I307 HydrophobicContact CB-CD1 3.74Å; D263-I307 HydrophobicContact CB-CG1 3.99Å; D263-I307 HydrophobicContact CB-CG2 4.49Å
264	D	98.5	Very high	96.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-45.8	172.1	-172.3	-84.5	0	0	0	111	P252 Y255 G260 E261 F266 N267 R268 T310	P252-D264 HydrophobicContact CG-CB 4.14Å; P252-D264 WeakPolarHBondContact CG-OD1 3.49Å; Y255-D264 HydrophobicContact CE2-CB 4.04Å; Y255-D264 WeakPolarHBondContact OH-CB 3.32Å; Y255-D264 PolarHBondContact OH-OD2 3.01Å; G260-D264 PolarHBondContact O-N 2.93Å; G260-D264 VanDerWaalsContact O-N 3.09Å; E261-D264 PolarHBondContact O-N 3.12Å; D264-F266 VanDerWaalsContact C-N 3.32Å; D264-F266 PolarHBondContact O-N 3.27Å; D264-N267 WeakPolarHBondContact O-CB 3.35Å; D264-N267 PolarHBondContact O-N 2.68Å; D264-N267 VanDerWaalsContact O-N 3.07Å; D264-R268 WeakPolarHBondContact O-CG 3.41Å; D264-R268 PolarHBondContact O-N 3.34Å; D264-R268 IonicContact OD1-CZ 2.73Å; D264-R268 IonicContact OD1-NE 3.61Å; D264-R268 PolarHBondContact OD1-NE 2.82Å; D264-R268 IonicContact OD1-NH2 3.98Å; D264-R268 PolarHBondContact OD1-NH2 3.17Å; D264-T310 VanDerWaalsContact OD2-CB 3.29Å; D264-T310 WeakPolarHBondContact OD2-CB 3.19Å; D264-T310 VanDerWaalsContact OD2-CG2 3.32Å; D264-T310 WeakPolarHBondContact OD2-CG2 3.47Å; D264-T310 PolarHBondContact OD2-OG1 3.08Å
265	I	98.6	Very high	96.3	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-45.2	175.5	-67.3	163.4	0	0	0	110.8	F234 F251 E261 D262 N267 R268 L269	F234-I265 HydrophobicContact CD1-CG2 3.71Å; F234-I265 HydrophobicContact CE1-CG2 3.86Å; F251-I265 HydrophobicContact CB-CD1 4.01Å; F251-I265 HydrophobicContact CB-CG1 4.13Å; F251-I265 HydrophobicContact CD1-CB 4.31Å; F251-I265 HydrophobicContact CD1-CD1 3.52Å; F251-I265 HydrophobicContact CD1-CG1 3.43Å; F251-I265 VanDerWaalsContact CD1-CG1 3.43Å; F251-I265 HydrophobicContact CD1-CG2 3.92Å; F251-I265 HydrophobicContact CD2-CD1 3.78Å; F251-I265 HydrophobicContact CE1-CB 4.38Å; F251-I265 HydrophobicContact CE1-CD1 3.8Å; F251-I265 HydrophobicContact CE1-CG1 3.89Å; F251-I265 HydrophobicContact CE1-CG2 3.55Å; F251-I265 HydrophobicContact CE2-CD1 4.07Å; F251-I265 HydrophobicContact CG-CD1 3.5Å; F251-I265 VanDerWaalsContact CG-CD1 3.5Å; F251-I265 HydrophobicContact CG-CG1 3.8Å; F251-I265 HydrophobicContact CZ-CD1 4.06Å; F251-I265 HydrophobicContact CZ-CG2 4.32Å; E261-I265 WeakPolarHBondContact O-CD1 3.42Å; E261-I265 WeakPolarHBondContact O-CG1 3.29Å; E261-I265 PolarHBondContact O-N 3.28Å; D262-I265 PolarHBondContact O-N 3.17Å; I265-N267 VanDerWaalsContact C-N 3.34Å; I265-N267 PolarHBondContact O-N 2.95Å; I265-R268 PolarHBondContact O-N 3.35Å; I265-L269 HydrophobicContact CG2-CD1 4.19Å; I265-L269 VanDerWaalsContact O-CG 3.32Å; I265-L269 WeakPolarHBondContact O-CG 3.38Å; I265-L269 PolarHBondContact O-N 2.95Å
266	F	98.5	Very high	96.4	Very high	31 Å²	31	34.9 Å²	34.9	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-45.8	173.9	174.8	-88.8	0	0	0	111.7	Q232 F234 D262 D263 D264 R268 L269 N270 I276	Q232-F266 HydrophobicContact CB-CD1 3.77Å; Q232-F266 HydrophobicContact CB-CD2 4.18Å; Q232-F266 HydrophobicContact CB-CE1 3.64Å; Q232-F266 HydrophobicContact CB-CE2 4.04Å; Q232-F266 HydrophobicContact CB-CG 4.06Å; Q232-F266 HydrophobicContact CB-CZ 3.78Å; Q232-F266 HydrophobicContact CG-CD1 4.03Å; Q232-F266 HydrophobicContact CG-CE1 3.39Å; Q232-F266 HydrophobicContact CG-CE2 4.24Å; Q232-F266 HydrophobicContact CG-CZ 3.52Å; Q232-F266 WeakPolarHBondContact O-CD2 3.41Å; Q232-F266 VanDerWaalsContact O-CG 3.31Å; Q232-F266 WeakPolarHBondContact O-CG 3.32Å; F234-F266 HydrophobicContact CB-CB 4.27Å; D262-F266 PolarHBondContact O-N 2.91Å; D263-F266 WeakPolarHBondContact O-CB 3.5Å; D263-F266 PolarHBondContact O-N 3.27Å; D264-F266 VanDerWaalsContact C-N 3.32Å; D264-F266 PolarHBondContact O-N 3.27Å; F266-R268 VanDerWaalsContact C-N 3.34Å; F266-R268 PolarHBondContact O-N 3.43Å; F266-L269 WeakPolarHBondContact O-CB 3.49Å; F266-L269 PolarHBondContact O-N 3.02Å; F266-N270 HydrophobicContact CE1-CB 4.36Å; F266-N270 WeakPolarHBondContact O-CB 3.43Å; F266-N270 PolarHBondContact O-N 2.91Å; F266-I276 HydrophobicContact CD2-CD1 4.06Å; F266-I276 HydrophobicContact CD2-CG1 3.72Å; F266-I276 HydrophobicContact CE2-CD1 4.32Å; F266-I276 HydrophobicContact CE2-CG1 3.61Å
267	N	98.4	Very high	96.6	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-39.6	178.7	-77.1	-16.1	0	0	0	112.5	D263 D264 I265 S271 I307 T310	D263-N267 WeakPolarHBondContact O-CB 3.49Å; D263-N267 PolarHBondContact O-N 3.03Å; D264-N267 WeakPolarHBondContact O-CB 3.35Å; D264-N267 PolarHBondContact O-N 2.68Å; D264-N267 VanDerWaalsContact O-N 3.07Å; I265-N267 VanDerWaalsContact C-N 3.34Å; I265-N267 PolarHBondContact O-N 2.95Å; N267-S271 WeakPolarHBondContact O-CB 3.35Å; N267-S271 PolarHBondContact O-N 3.37Å; N267-I307 WeakPolarHBondContact ND2-CG2 3.46Å; N267-I307 PolarHBondContact ND2-O 3.31Å; N267-T310 HydrophobicContact CB-CG2 3.69Å
268	R	98.6	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-42.7	173.6	-66.8	-178.6	-173.8	-126.7	-8.4	112	I248 G250 D264 I265 F266 S271 K272 T310 M314 D317	I248-R268 HydrophobicContact CB-CB 3.93Å; I248-R268 HydrophobicContact CD1-CB 4.31Å; I248-R268 HydrophobicContact CG2-CB 4Å; I248-R268 WeakPolarHBondContact CG2-O 3.3Å; G250-R268 PolarHBondContact O-NH1 3.16Å; D264-R268 WeakPolarHBondContact O-CG 3.41Å; D264-R268 PolarHBondContact O-N 3.34Å; D264-R268 IonicContact OD1-CZ 2.73Å; D264-R268 IonicContact OD1-NE 3.61Å; D264-R268 PolarHBondContact OD1-NE 2.82Å; D264-R268 IonicContact OD1-NH2 3.98Å; D264-R268 PolarHBondContact OD1-NH2 3.17Å; I265-R268 PolarHBondContact O-N 3.35Å; F266-R268 VanDerWaalsContact C-N 3.34Å; F266-R268 PolarHBondContact O-N 3.43Å; R268-S271 PolarHBondContact O-N 3.22Å; R268-S271 PolarHBondContact O-OG 2.88Å; R268-K272 WeakPolarHBondContact O-CG 3.24Å; R268-K272 PolarHBondContact O-N 3.5Å; R268-T310 HydrophobicContact CG-CG2 3.57Å; R268-M314 HydrophobicContact CB-CE 3.75Å; R268-M314 HydrophobicContact CG-CB 3.84Å; R268-M314 HydrophobicContact CG-CE 3.89Å; R268-M314 HydrophobicContact CG-SD 4.4Å; R268-M314 PolarHBondContact NH1-O 3.37Å; R268-D317 PolarHBondContact NH1-O 3.35Å; R268-D317 PolarHBondContact NH2-O 3.33Å
269	L	98.6	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-50.7	177.8	-75.4	172.5	0	0	0	111.3	P214 F234 M240 I248 I265 F266 S271 K272 G273 M274 I276	P214-L269 HydrophobicContact CB-CD1 3.78Å; P214-L269 HydrophobicContact CB-CD2 3.95Å; P214-L269 HydrophobicContact CB-CG 4.48Å; P214-L269 HydrophobicContact CG-CD1 4.05Å; P214-L269 HydrophobicContact CG-CD2 3.33Å; P214-L269 HydrophobicContact CG-CG 4.23Å; F234-L269 HydrophobicContact CD1-CD1 4.17Å; F234-L269 HydrophobicContact CE1-CD1 3.72Å; F234-L269 HydrophobicContact CE2-CD1 4.39Å; F234-L269 HydrophobicContact CZ-CD1 3.85Å; M240-L269 HydrophobicContact CE-CD1 3.92Å; M240-L269 HydrophobicContact CE-CD2 3.16Å; M240-L269 HydrophobicContact CE-CG 3.89Å; I248-L269 HydrophobicContact CD1-CD2 4.36Å; I248-L269 HydrophobicContact CG2-CD2 3.97Å; I265-L269 HydrophobicContact CG2-CD1 4.19Å; I265-L269 VanDerWaalsContact O-CG 3.32Å; I265-L269 WeakPolarHBondContact O-CG 3.38Å; I265-L269 PolarHBondContact O-N 2.95Å; F266-L269 WeakPolarHBondContact O-CB 3.49Å; F266-L269 PolarHBondContact O-N 3.02Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 2.96Å; L269-K272 CarbonylContact O-C 3.57Å; L269-K272 PolarHBondContact O-N 2.72Å; L269-K272 VanDerWaalsContact O-N 3.12Å; L269-G273 PolarHBondContact O-N 2.99Å; L269-M274 HydrophobicContact CD2-CB 4.35Å; L269-M274 HydrophobicContact CD2-CE 3.35Å; L269-M274 HydrophobicContact CD2-SD 3.98Å; L269-M274 PolarHBondContact O-N 3.43Å; L269-M274 VanDerWaalsContact O-N 3.08Å; L269-I276 HydrophobicContact CB-CD1 4.48Å; L269-I276 HydrophobicContact CD1-CD1 3.7Å
270	N	98.1	Very high	97.9	Very high	96 Å²	96	35.5 Å²	35.5	51%	0.513	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-40.3	179.1	-172	47.2	0	0	0	111.7	F266 K272 G273	F266-N270 HydrophobicContact CE1-CB 4.36Å; F266-N270 WeakPolarHBondContact O-CB 3.43Å; F266-N270 PolarHBondContact O-N 2.91Å; N270-K272 PolarHBondContact O-N 2.9Å; N270-G273 PolarHBondContact O-N 3Å
271	S	97.9	Very high	98.1	Very high	47 Å²	47	37.3 Å²	37.3	33%	0.329	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-21	177.8	80.2	0	0	0	0	113.6	N267 R268 L269 M314	N267-S271 WeakPolarHBondContact O-CB 3.35Å; N267-S271 PolarHBondContact O-N 3.37Å; R268-S271 PolarHBondContact O-N 3.22Å; R268-S271 PolarHBondContact O-OG 2.88Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 2.96Å; S271-M314 PolarHBondContact OG-SD 2.83Å
272	K	98.3	Very high	98.1	Very high	68 Å²	68	39.6 Å²	39.6	30%	0.296	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.7	174.9	-63.5	-60.5	-179.1	178.2	0	113.4	K247 I248 R268 L269 N270 M274 M314	K247-K272 HydrophobicContact CD-CB 4.37Å; K247-K272 WeakPolarHBondContact CE-O 3.38Å; K247-K272 HydrophobicContact CG-CB 4.18Å; K247-K272 HydrophobicContact CG-CD 4.44Å; K247-K272 HydrophobicContact CG-CG 4.27Å; K247-K272 PolarHBondContact NZ-O 3.33Å; K247-K272 VanDerWaalsContact O-CE 3.25Å; K247-K272 WeakPolarHBondContact O-CE 3.23Å; I248-K272 HydrophobicContact CG2-CB 4.28Å; I248-K272 HydrophobicContact CG2-CG 3.85Å; R268-K272 WeakPolarHBondContact O-CG 3.24Å; R268-K272 PolarHBondContact O-N 3.5Å; L269-K272 CarbonylContact O-C 3.57Å; L269-K272 PolarHBondContact O-N 2.72Å; L269-K272 VanDerWaalsContact O-N 3.12Å; N270-K272 PolarHBondContact O-N 2.9Å; K272-M274 VanDerWaalsContact C-N 3.29Å; K272-M274 HydrophobicContact CB-CE 3.82Å; K272-M274 PolarHBondContact O-N 3.24Å; K272-M314 HydrophobicContact CD-CE 4.41Å; K272-M314 VanDerWaalsContact CE-CE 3.49Å; K272-M314 HydrophobicContact CG-CE 4.1Å
273	G	98.1	Very high	98.1	Very high	65 Å²	65	40 Å²	40	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	19.9	176	0	0	0	0	0	114	L269 N270	L269-G273 PolarHBondContact O-N 2.99Å; N270-G273 PolarHBondContact O-N 3Å
274	M	98.7	Very high	98.2	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.049	25%	0.246	C	C	.	.			trans	-93.9	143.9	175.9	-66.5	-177.9	-81.1	0	0	110.6	P214 Q244 K247 I248 L269 K272	P214-M274 HydrophobicContact CG-CB 3.92Å; P214-M274 HydrophobicContact CG-CG 4.39Å; P214-M274 HydrophobicContact CG-SD 3.78Å; Q244-M274 HydrophobicContact CB-SD 4.06Å; Q244-M274 HydrophobicContact CG-SD 3.81Å; K247-M274 HydrophobicContact CB-CE 4.4Å; K247-M274 HydrophobicContact CD-CE 4.12Å; K247-M274 HydrophobicContact CD-SD 4.42Å; K247-M274 HydrophobicContact CG-CE 4.36Å; I248-M274 HydrophobicContact CG2-CE 3.53Å; L269-M274 HydrophobicContact CD2-CB 4.35Å; L269-M274 HydrophobicContact CD2-CE 3.35Å; L269-M274 HydrophobicContact CD2-SD 3.98Å; L269-M274 PolarHBondContact O-N 3.43Å; L269-M274 VanDerWaalsContact O-N 3.08Å; K272-M274 VanDerWaalsContact C-N 3.29Å; K272-M274 HydrophobicContact CB-CE 3.82Å; K272-M274 PolarHBondContact O-N 3.24Å
275	T	98.1	Very high	98.1	Very high	92 Å²	92	42.2 Å²	42.2	56%	0.564	26%	0.262	S	S	*	.			trans	-108.2	161.1	175.4	58.1	0	0	0	0	110	Q213 P214	Q213-T275 WeakPolarHBondContact CB-O 3.49Å; Q213-T275 PolarHBondContact OE1-O 3.28Å; P214-T275 WeakPolarHBondContact CD-O 3.23Å
276	I	98.6	Very high	98.1	Very high	28 Å²	28	42 Å²	42	14%	0.144	26%	0.261	C	S	.	.			trans	-91.9	117.5	-178.1	-53.7	-53.1	0	0	0	110.3	P214 H216 F234 F266 L269 R278	P214-I276 HydrophobicContact CB-CD1 4.32Å; H216-I276 HydrophobicContact CB-CG2 3.7Å; F234-I276 HydrophobicContact CD2-CD1 3.8Å; F234-I276 HydrophobicContact CD2-CG1 4.24Å; F234-I276 HydrophobicContact CD2-CG2 3.85Å; F234-I276 HydrophobicContact CE2-CD1 3.74Å; F234-I276 HydrophobicContact CE2-CG1 4.48Å; F234-I276 HydrophobicContact CE2-CG2 3.83Å; F234-I276 HydrophobicContact CZ-CD1 4.43Å; F266-I276 HydrophobicContact CD2-CD1 4.06Å; F266-I276 HydrophobicContact CD2-CG1 3.72Å; F266-I276 HydrophobicContact CE2-CD1 4.32Å; F266-I276 HydrophobicContact CE2-CG1 3.61Å; L269-I276 HydrophobicContact CB-CD1 4.48Å; L269-I276 HydrophobicContact CD1-CD1 3.7Å; I276-R278 HydrophobicContact CG2-CG 4.11Å
277	S	98.4	Very high	98.1	Very high	31 Å²	31	44.8 Å²	44.8	22%	0.217	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-79.2	141.1	168.6	-177.3	0	0	0	0	110.3	P214 R215 H216	P214-S277 PolarHBondContact O-N 3.43Å; R215-S277 WeakPolarHBondContact CA-O 3.31Å; R215-S277 WeakPolarHBondContact CD-O 3.48Å; R215-S277 PolarHBondContact NH1-OG 2.65Å; H216-S277 PolarHBondContact N-O 2.61Å
278	R	98.6	Very high	98	Very high	70 Å²	70	43.7 Å²	43.7	26%	0.264	27%	0.265	S	S	.	.			trans	-140	144.4	-178.9	-73.2	-171.7	176.6	108.7	-5.4	111.7	R215 H216 V219 N231 Y233 I276	R215-R278 PolarHBondContact NH1-O 2.71Å; H216-R278 HydrophobicContact CB-CG 4.1Å; H216-R278 PolarHBondContact ND1-NE 2.61Å; V219-R278 HydrophobicContact CG1-CB 3.86Å; V219-R278 HydrophobicContact CG1-CG 3.6Å; N231-R278 PolarHBondContact O-NH1 3Å; N231-R278 VanDerWaalsContact O-NH1 3.09Å; N231-R278 PolarHBondContact O-NH2 3.25Å; Y233-R278 PolarHBondContact O-NH2 3.41Å; I276-R278 HydrophobicContact CG2-CG 4.11Å
279	P	98.1	Very high	97.9	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.091	27%	0.267	C	S	.	.			trans	-66.4	168.8	163.2	30.6	-34.3	0	0	0	109.9	R215 H216 V219 V283	R215-P279 VanDerWaalsContact CZ-N 3.26Å; R215-P279 VanDerWaalsContact NH2-CA 3.29Å; R215-P279 VanDerWaalsContact NH2-N 3.18Å; H216-P279 WeakPolarHBondContact O-CD 3.41Å; V219-P279 HydrophobicContact CG1-CG 4.29Å; V219-P279 HydrophobicContact CG2-CG 3.95Å; P279-V283 HydrophobicContact CB-CB 4.47Å; P279-V283 HydrophobicContact CB-CG1 4.32Å
280	S	97.9	Very high	97.5	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	31%	0.306	S	S	.	.			trans	-61.1	152.9	167.8	71.7	0	0	0	0	110.2	A282 V283 G284	S280-A282 PolarHBondContact O-N 3.26Å; S280-A282 VanDerWaalsContact O-N 3.12Å; S280-V283 PolarHBondContact O-N 2.71Å; S280-V283 PolarHBondContact OG-N 2.83Å; S280-G284 PolarHBondContact O-N 2.79Å
281	G	96	Very high	96.9	Very high	43 Å²	43	53 Å²	53	44%	0.443	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	178.3	0	0	0	0	0	113.9	S220 K285	S220-G281 WeakPolarHBondContact CB-O 3.46Å; S220-G281 PolarHBondContact OG-O 3.28Å; G281-K285 WeakPolarHBondContact O-CG 3.46Å
282	A	97.2	Very high	96.3	Very high	64 Å²	64	57.7 Å²	57.7	53%	0.529	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-45.3	175.9	0	0	0	0	0	112.4	S280	S280-A282 PolarHBondContact O-N 3.26Å; S280-A282 VanDerWaalsContact O-N 3.12Å
283	V	98.1	Very high	95.2	Very high	23 Å²	23	63.2 Å²	63.2	14%	0.139	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-35.5	-180	171.3	0	0	0	0	111.1	D203 R205 N206 P279 S280 K285	D203-V283 WeakPolarHBondContact CB-O 3.41Å; R205-V283 VanDerWaalsContact C-CG1 3.5Å; R205-V283 HydrophobicContact CB-CG1 3.93Å; R205-V283 HydrophobicContact CB-CG2 4.48Å; N206-V283 HydrophobicContact CB-CG1 3.8Å; N206-V283 VanDerWaalsContact N-CG1 3.31Å; P279-V283 HydrophobicContact CB-CB 4.47Å; P279-V283 HydrophobicContact CB-CG1 4.32Å; S280-V283 PolarHBondContact O-N 2.71Å; S280-V283 PolarHBondContact OG-N 2.83Å; V283-K285 PolarHBondContact O-N 2.74Å
284	G	97.9	Very high	94.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	23.8	-178.4	0	0	0	0	0	115.5	V219 S220 S280	V219-G284 PolarHBondContact N-O 3.03Å; S220-G284 PolarHBondContact N-O 3.12Å; S280-G284 PolarHBondContact O-N 2.79Å
285	K	98.3	Very high	92.8	Very high	80 Å²	80	66.2 Å²	66.2	35%	0.348	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135	176.9	-75.2	-174.6	178.3	178.2	0	110.9	M202 S220 F226 G281 V283	M202-K285 HydrophobicContact CB-CB 3.98Å; M202-K285 HydrophobicContact CG-CB 4.34Å; M202-K285 PolarHBondContact N-O 3.4Å; M202-K285 HydrophobicContact SD-CB 4.03Å; S220-K285 CarbonylContact O-C 3.55Å; S220-K285 VanDerWaalsContact O-CA 3.23Å; S220-K285 WeakPolarHBondContact O-CA 3.46Å; F226-K285 HydrophobicContact CD1-CB 4.34Å; F226-K285 HydrophobicContact CD1-CD 4Å; F226-K285 HydrophobicContact CD1-CG 3.89Å; F226-K285 HydrophobicContact CE1-CB 4.34Å; F226-K285 HydrophobicContact CE1-CD 4.18Å; F226-K285 HydrophobicContact CE1-CG 4.27Å; G281-K285 WeakPolarHBondContact O-CG 3.46Å; V283-K285 PolarHBondContact O-N 2.74Å
286	C	98.2	Very high	91.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.9	174.8	-66.5	0	0	0	0	110.7	I200 S220 M221 D222	I200-C286 CarbonylContact O-C 3.59Å; I200-C286 VanDerWaalsContact O-CA 3.23Å; I200-C286 WeakPolarHBondContact O-CA 3.36Å; S220-C286 PolarHBondContact O-N 3.23Å; M221-C286 WeakPolarHBondContact CA-O 3.41Å; M221-C286 HydrophobicContact CG-CB 4.12Å; D222-C286 PolarHBondContact N-O 3.38Å
287	R	98	Very high	90.5	Very high	90 Å²	90	63.1 Å²	63.1	34%	0.34	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.8	172.8	-149.8	-179.3	179.3	165.6	-1.1	109	I91 F93 I200 M202 D222	I91-R287 HydrophobicContact CB-CB 4.32Å; I91-R287 HydrophobicContact CG2-CB 4.12Å; I91-R287 VanDerWaalsContact O-CD 3.3Å; I91-R287 WeakPolarHBondContact O-CD 3.29Å; I91-R287 PolarHBondContact O-NH1 3.37Å; F93-R287 HydrophobicContact CE2-CB 4.2Å; F93-R287 HydrophobicContact CE2-CG 3.84Å; F93-R287 HydrophobicContact CZ-CB 4.08Å; F93-R287 HydrophobicContact CZ-CG 4.21Å; I200-R287 PolarHBondContact N-O 3.17Å; I200-R287 PolarHBondContact O-N 3.1Å; M202-R287 HydrophobicContact CG-CB 4.14Å; M202-R287 HydrophobicContact SD-CB 4.08Å; D222-R287 VanDerWaalsContact OD2-CG 3.23Å; D222-R287 WeakPolarHBondContact OD2-CG 3.27Å
288	M	96.9	Very high	89.9	Confident	27 Å²	27	67.1 Å²	67.1	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.4	176.9	-171.8	-166.6	178.8	0	0	110.7	F93 D198 L199 D222 K223 R290 H291	F93-M288 WeakPolarHBondContact CE2-O 3.25Å; D198-M288 CarbonylContact O-C 3.58Å; D198-M288 VanDerWaalsContact O-CA 3.26Å; D198-M288 WeakPolarHBondContact O-CA 3.26Å; D198-M288 WeakPolarHBondContact OD2-CE 3.28Å; L199-M288 HydrophobicContact CD2-CB 3.96Å; L199-M288 HydrophobicContact CD2-CG 4.16Å; D222-M288 WeakPolarHBondContact OD1-CB 3.4Å; D222-M288 PolarHBondContact OD1-N 3.4Å; K223-M288 HydrophobicContact CB-SD 4.05Å; K223-M288 HydrophobicContact CD-CB 4.45Å; K223-M288 HydrophobicContact CD-CE 4.43Å; K223-M288 HydrophobicContact CD-CG 4.34Å; K223-M288 HydrophobicContact CD-SD 3.24Å; K223-M288 WeakPolarHBondContact CD-SD 3.33Å; K223-M288 HydrophobicContact CG-SD 4.27Å; M288-R290 PolarHBondContact O-N 3.14Å; M288-H291 VanDerWaalsContact CE-NE2 3.35Å; M288-H291 WeakPolarHBondContact CE-NE2 3.41Å
289	I	95.4	Very high	89.3	Confident	9 Å²	9	66.4 Å²	66.4	5%	0.046	36%	0.357	C	S	.	.			trans	-68.7	112.4	166	-52.3	175.6	0	0	0	107.1	F93 H138 F141 D198 H291	F93-I289 HydrophobicContact CD1-CD1 4.46Å; F93-I289 HydrophobicContact CD1-CG1 3.88Å; F93-I289 HydrophobicContact CD2-CG1 4.35Å; F93-I289 HydrophobicContact CE1-CD1 4.23Å; F93-I289 HydrophobicContact CE1-CG1 3.56Å; F93-I289 HydrophobicContact CE2-CG1 4.05Å; F93-I289 HydrophobicContact CG-CG1 4.27Å; F93-I289 HydrophobicContact CZ-CG1 3.63Å; H138-I289 HydrophobicContact CB-CD1 4.01Å; F141-I289 HydrophobicContact CB-CD1 3.6Å; F141-I289 HydrophobicContact CD2-CD1 4.25Å; F141-I289 HydrophobicContact CG-CD1 4.24Å; D198-I289 HydrophobicContact CB-CB 4.12Å; D198-I289 PolarHBondContact O-N 3.46Å; I289-H291 PolarHBondContact O-CD2 3.39Å
290	R	91	Very high	88.6	Confident	215 Å²	215	65.9 Å²	65.9	81%	0.811	35%	0.353	S	S	*	.			trans	-70.2	137.8	-173.7	-65.1	-176.2	-179.8	-179	-1.3	111	M288	M288-R290 PolarHBondContact O-N 3.14Å
291	H	86	Confident	87.8	Confident	66 Å²	66	67.6 Å²	67.6	31%	0.306	36%	0.363	S	S	.	.			trans	-150.7	159.4	173.2	63.4	83.5	0	0	0	110.9	R135 H138 D198 M288 I289	R135-H291 PolarHBondContact NH2-CE1 3.01Å; R135-H291 VanDerWaalsContact NH2-CG 3.27Å; R135-H291 PolarHBondContact NH2-ND1 3.38Å; R135-H291 PolarHBondContact NH2-NE2 3.46Å; H138-H291 AromaticContact CE1-CD2 3.62Å; H138-H291 AromaticContact CE1-CG 3.93Å; D198-H291 IonicContact OD2-CD2 3.76Å; D198-H291 IonicContact OD2-NE2 2.8Å; D198-H291 PolarHBondContact OD2-NE2 2.98Å; M288-H291 VanDerWaalsContact CE-NE2 3.35Å; M288-H291 WeakPolarHBondContact CE-NE2 3.41Å; I289-H291 PolarHBondContact O-CD2 3.39Å
292	N	83.6	Confident	87.1	Confident	147 Å²	147	69 Å²	69	79%	0.786	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-71.6	160.3	168.8	-66.3	-29.1	0	0	0	110.1	D294	N292-D294 PolarHBondContact O-N 3.32Å
293	R	75.7	Confident	86.4	Confident	183 Å²	183	68.1 Å²	68.1	69%	0.691	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-56.2	134.2	171.2	-76	-176.4	169.2	-153.1	-10.4	109.7	D299	R293-D299 IonicContact CZ-OD1 2.71Å; R293-D299 IonicContact NH1-OD1 3.95Å; R293-D299 PolarHBondContact NH1-OD1 3.07Å; R293-D299 IonicContact NH2-OD1 3.18Å; R293-D299 PolarHBondContact NH2-OD1 2.75Å
294	D	75	Confident	85.9	Confident	64 Å²	64	73.8 Å²	73.8	34%	0.342	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-73.6	134.6	177.3	-61	-31.4	0	0	0	109.8	R135 N292 N297	R135-D294 IonicContact CZ-OD1 3.54Å; R135-D294 IonicContact CZ-OD2 3.21Å; R135-D294 IonicContact NE-OD1 3.29Å; R135-D294 IonicContact NE-OD2 3.64Å; R135-D294 PolarHBondContact NE-OD2 3.09Å; R135-D294 IonicContact NH1-OD1 3.79Å; R135-D294 IonicContact NH2-OD1 2.67Å; R135-D294 PolarHBondContact NH2-OD1 3.36Å; R135-D294 IonicContact NH2-OD2 3.32Å; R135-D294 PolarHBondContact NH2-OD2 3.2Å; N292-D294 PolarHBondContact O-N 3.32Å; D294-N297 HydrophobicContact CB-CB 4.28Å; D294-N297 PolarHBondContact O-N 3.44Å
295	G	71.1	Confident	85.3	Confident	74 Å²	74	78.2 Å²	78.2	76%	0.763	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	139	166.1	0	0	0	0	0	110.3	N297	G295-N297 VanDerWaalsContact C-N 3.33Å
296	G	69.9	Low	84.8	Confident	22 Å²	22	76.9 Å²	76.9	23%	0.227	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	11.8	-176.1	0	0	0	0	0	114.6	F170 E298	F170-G296 PolarHBondContact N-O 3.33Å; G296-E298 WeakPolarHBondContact CA-OE1 3.03Å; G296-E298 WeakPolarHBondContact CA-OE2 3.33Å; G296-E298 PolarHBondContact N-OE1 2.75Å
297	N	79.9	Confident	84.3	Confident	34 Å²	34	78.4 Å²	78.4	18%	0.182	39%	0.388	C	S	.	.			trans	-129.5	46.9	170.4	-165.5	24.7	0	0	0	110.7	G257 W258 D294 G295	G257-N297 WeakPolarHBondContact CA-OD1 3.3Å; W258-N297 WeakPolarHBondContact CB-O 3.37Å; W258-N297 PolarHBondContact N-OD1 2.94Å; W258-N297 VanDerWaalsContact N-OD1 3.17Å; D294-N297 HydrophobicContact CB-CB 4.28Å; D294-N297 PolarHBondContact O-N 3.44Å; G295-N297 VanDerWaalsContact C-N 3.33Å
298	E	85.2	Confident	84	Confident	115 Å²	115	77.7 Å²	77.7	54%	0.537	40%	0.402	S	S	.	.			trans	-63.6	159.1	177.4	-61.1	73.3	-157.6	0	0	111.3	W258 G296 N300	W258-E298 PolarHBondContact N-O 3.11Å; G296-E298 WeakPolarHBondContact CA-OE1 3.03Å; G296-E298 WeakPolarHBondContact CA-OE2 3.33Å; G296-E298 PolarHBondContact N-OE1 2.75Å; E298-N300 PolarHBondContact O-N 2.95Å; E298-N300 VanDerWaalsContact O-N 3.16Å
299	D	85.6	Confident	83.8	Confident	54 Å²	54	79.6 Å²	79.6	29%	0.289	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-49.1	121.5	173.9	-81.2	42.4	0	0	0	110.7	R293 P301 R303	R293-D299 IonicContact CZ-OD1 2.71Å; R293-D299 IonicContact NH1-OD1 3.95Å; R293-D299 PolarHBondContact NH1-OD1 3.07Å; R293-D299 IonicContact NH2-OD1 3.18Å; R293-D299 PolarHBondContact NH2-OD1 2.75Å; D299-P301 WeakPolarHBondContact O-CD 3.13Å; D299-P301 VanDerWaalsContact O-N 3.14Å; D299-R303 IonicContact OD2-CZ 3.32Å; D299-R303 IonicContact OD2-NH1 2.75Å; D299-R303 PolarHBondContact OD2-NH1 3.18Å; D299-R303 IonicContact OD2-NH2 2.95Å; D299-R303 PolarHBondContact OD2-NH2 3.06Å
300	N	83.8	Confident	83.7	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.016	41%	0.409	C	S	.	.			trans	-67.1	112.3	176.3	175.9	2.3	0	0	0	109.4	W256 W258 E298 Q302 R303	W256-N300 WeakPolarHBondContact O-CB 3.37Å; W258-N300 PolarHBondContact O-N 3.45Å; E298-N300 PolarHBondContact O-N 2.95Å; E298-N300 VanDerWaalsContact O-N 3.16Å; N300-Q302 PolarHBondContact O-N 3.33Å; N300-Q302 PolarHBondContact OD1-N 2.88Å; N300-R303 HydrophobicContact CB-CB 4.3Å; N300-R303 WeakPolarHBondContact O-CB 3.29Å; N300-R303 VanDerWaalsContact O-CG 3.27Å; N300-R303 WeakPolarHBondContact O-CG 3.46Å; N300-R303 PolarHBondContact O-N 3.36Å; N300-R303 VanDerWaalsContact O-N 3.16Å
301	P	80.8	Confident	83.9	Confident	107 Å²	107	76.6 Å²	76.6	70%	0.695	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.9	-175.5	28.2	-34.8	0	0	0	112.5	D299	D299-P301 WeakPolarHBondContact O-CD 3.13Å; D299-P301 VanDerWaalsContact O-N 3.14Å
302	Q	80.5	Confident	84.3	Confident	71 Å²	71	79.4 Å²	79.4	33%	0.332	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.6	-179.4	-61.8	179.1	36.1	0	0	112.7	N300 F304 D305 R306	N300-Q302 PolarHBondContact O-N 3.33Å; N300-Q302 PolarHBondContact OD1-N 2.88Å; Q302-F304 PolarHBondContact O-N 3.48Å; Q302-D305 PolarHBondContact O-N 3.29Å; Q302-R306 HydrophobicContact CB-CG 4.28Å; Q302-R306 WeakPolarHBondContact O-CG 3.2Å; Q302-R306 PolarHBondContact O-N 3.38Å; Q302-R306 VanDerWaalsContact OE1-CZ 3.28Å
303	R	84.4	Confident	84.9	Confident	46 Å²	46	74.4 Å²	74.4	17%	0.174	39%	0.391	C	S	.	.	H	α-helix	trans	-55.4	-47.2	-170.5	67.1	-172.3	172.7	-145.6	-5.5	113.8	W258 G259 D299 N300 R306 I307	W258-R303 VanDerWaalsContact CZ3-NH1 3.33Å; G259-R303 VanDerWaalsContact O-CB 3.27Å; G259-R303 WeakPolarHBondContact O-CB 3.24Å; D299-R303 IonicContact OD2-CZ 3.32Å; D299-R303 IonicContact OD2-NH1 2.75Å; D299-R303 PolarHBondContact OD2-NH1 3.18Å; D299-R303 IonicContact OD2-NH2 2.95Å; D299-R303 PolarHBondContact OD2-NH2 3.06Å; N300-R303 HydrophobicContact CB-CB 4.3Å; N300-R303 WeakPolarHBondContact O-CB 3.29Å; N300-R303 VanDerWaalsContact O-CG 3.27Å; N300-R303 WeakPolarHBondContact O-CG 3.46Å; N300-R303 PolarHBondContact O-N 3.36Å; N300-R303 VanDerWaalsContact O-N 3.16Å; R303-R306 PolarHBondContact O-N 3.41Å; R303-I307 WeakPolarHBondContact O-CD1 3.45Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.19Å
304	F	86.7	Confident	85.9	Confident	143 Å²	143	65.9 Å²	65.9	63%	0.627	36%	0.359	S	S	*	.	H	α-helix	trans	-70.2	-38.9	-177.2	-64.1	-66.2	0	0	0	112.1	Q302 I307 A308	Q302-F304 PolarHBondContact O-N 3.48Å; F304-I307 PolarHBondContact O-N 3.27Å; F304-A308 PolarHBondContact O-N 3.21Å; F304-A308 VanDerWaalsContact O-N 3.07Å
305	D	85.4	Confident	87	Confident	93 Å²	93	67.7 Å²	67.7	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-47.8	174.6	-180	69.3	0	0	0	110.8	Q302 I307 A308 H309	Q302-D305 PolarHBondContact O-N 3.29Å; D305-I307 PolarHBondContact O-N 3.16Å; D305-A308 WeakPolarHBondContact O-CB 3.31Å; D305-A308 PolarHBondContact O-N 3.15Å; D305-H309 PolarHBondContact O-N 3.13Å; D305-H309 PolarHBondContact O-ND1 3.46Å; D305-H309 IonicContact OD1-CE1 3.43Å; D305-H309 PolarHBondContact OD1-CE1 3.01Å; D305-H309 IonicContact OD1-ND1 2.69Å; D305-H309 PolarHBondContact OD1-ND1 3.46Å; D305-H309 IonicContact OD2-ND1 3.33Å
306	R	87.9	Confident	88.2	Confident	51 Å²	51	72 Å²	72	19%	0.192	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-41.8	177.6	-67.3	-168.7	-174.1	-53.7	-3	112.8	N254 Y255 Q302 R303 A308 H309 T310	N254-R306 PolarHBondContact ND2-NH1 2.94Å; N254-R306 PolarHBondContact O-NE 3.38Å; N254-R306 PolarHBondContact O-NH2 2.62Å; Y255-R306 HydrophobicContact CE1-CB 4.04Å; Y255-R306 HydrophobicContact CE2-CB 3.83Å; Y255-R306 HydrophobicContact CE2-CG 4.4Å; Y255-R306 VanDerWaalsContact OH-C 3.32Å; Y255-R306 WeakPolarHBondContact OH-CB 3.11Å; Q302-R306 HydrophobicContact CB-CG 4.28Å; Q302-R306 WeakPolarHBondContact O-CG 3.2Å; Q302-R306 PolarHBondContact O-N 3.38Å; Q302-R306 VanDerWaalsContact OE1-CZ 3.28Å; R303-R306 PolarHBondContact O-N 3.41Å; R306-A308 VanDerWaalsContact C-N 3.29Å; R306-A308 PolarHBondContact O-N 3.48Å; R306-H309 CarbonylContact O-C 3.45Å; R306-H309 PolarHBondContact O-N 3.27Å; R306-H309 VanDerWaalsContact O-N 3.1Å; R306-T310 PolarHBondContact O-N 2.9Å; R306-T310 VanDerWaalsContact O-N 3.14Å
307	I	88.4	Confident	89.5	Confident	32 Å²	32	71.9 Å²	71.9	16%	0.164	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-40.8	176	-69.6	162.7	0	0	0	111	Y255 G260 D263 N267 R303 F304 D305 H309 T310	Y255-I307 PolarHBondContact OH-N 3.3Å; G260-I307 WeakPolarHBondContact O-CG1 3.33Å; D263-I307 HydrophobicContact CB-CD1 3.74Å; D263-I307 HydrophobicContact CB-CG1 3.99Å; D263-I307 HydrophobicContact CB-CG2 4.49Å; N267-I307 WeakPolarHBondContact ND2-CG2 3.46Å; N267-I307 PolarHBondContact ND2-O 3.31Å; R303-I307 WeakPolarHBondContact O-CD1 3.45Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.19Å; F304-I307 PolarHBondContact O-N 3.27Å; D305-I307 PolarHBondContact O-N 3.16Å; I307-H309 PolarHBondContact O-N 3.41Å; I307-T310 PolarHBondContact O-N 3.26Å; I307-T310 PolarHBondContact O-OG1 3.23Å
308	A	90.5	Very high	90.4	Very high	76 Å²	76	70.3 Å²	70.3	63%	0.628	35%	0.352	S	S	*	.	H	α-helix	trans	-63.8	-33.2	178.3	0	0	0	0	0	112.1	F304 D305 R306	F304-A308 PolarHBondContact O-N 3.21Å; F304-A308 VanDerWaalsContact O-N 3.07Å; D305-A308 WeakPolarHBondContact O-CB 3.31Å; D305-A308 PolarHBondContact O-N 3.15Å; R306-A308 VanDerWaalsContact C-N 3.29Å; R306-A308 PolarHBondContact O-N 3.48Å
309	H	92.1	Very high	91	Very high	67 Å²	67	66.2 Å²	66.2	31%	0.31	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	16.2	-176.5	-56.6	98.7	0	0	0	113.9	D305 R306 I307 K311 E312 T313	D305-H309 PolarHBondContact O-N 3.13Å; D305-H309 PolarHBondContact O-ND1 3.46Å; D305-H309 IonicContact OD1-CE1 3.43Å; D305-H309 PolarHBondContact OD1-CE1 3.01Å; D305-H309 IonicContact OD1-ND1 2.69Å; D305-H309 PolarHBondContact OD1-ND1 3.46Å; D305-H309 IonicContact OD2-ND1 3.33Å; R306-H309 CarbonylContact O-C 3.45Å; R306-H309 PolarHBondContact O-N 3.27Å; R306-H309 VanDerWaalsContact O-N 3.1Å; I307-H309 PolarHBondContact O-N 3.41Å; H309-K311 VanDerWaalsContact C-N 3.32Å; H309-K311 PolarHBondContact O-N 3.01Å; H309-E312 IonicContact CD2-OE1 3.34Å; H309-E312 IonicContact CD2-OE2 2.75Å; H309-E312 PolarHBondContact CD2-OE2 2.93Å; H309-E312 IonicContact CG-OE2 3.75Å; H309-E312 PolarHBondContact O-N 2.89Å; H309-E312 VanDerWaalsContact O-N 3.17Å; H309-T313 HydrophobicContact CB-CG2 4.45Å; H309-T313 WeakPolarHBondContact O-CG2 3.37Å; H309-T313 PolarHBondContact O-N 3.2Å; H309-T313 VanDerWaalsContact O-N 3.12Å; H309-T313 PolarHBondContact O-OG1 2.94Å
310	T	95.1	Very high	91.5	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-54.1	-45	179.8	-59	0	0	0	0	112.4	D264 N267 R268 R306 I307 E312 T313 M314	D264-T310 VanDerWaalsContact OD2-CB 3.29Å; D264-T310 WeakPolarHBondContact OD2-CB 3.19Å; D264-T310 VanDerWaalsContact OD2-CG2 3.32Å; D264-T310 WeakPolarHBondContact OD2-CG2 3.47Å; D264-T310 PolarHBondContact OD2-OG1 3.08Å; N267-T310 HydrophobicContact CB-CG2 3.69Å; R268-T310 HydrophobicContact CG-CG2 3.57Å; R306-T310 PolarHBondContact O-N 2.9Å; R306-T310 VanDerWaalsContact O-N 3.14Å; I307-T310 PolarHBondContact O-N 3.26Å; I307-T310 PolarHBondContact O-OG1 3.23Å; T310-E312 PolarHBondContact O-N 3.43Å; T310-T313 PolarHBondContact O-N 2.87Å; T310-T313 PolarHBondContact O-OG1 3.49Å; T310-M314 VanDerWaalsContact O-CB 3.26Å; T310-M314 WeakPolarHBondContact O-CB 3.23Å; T310-M314 WeakPolarHBondContact O-CG 3.26Å; T310-M314 PolarHBondContact O-N 3.49Å
311	K	93.8	Very high	92.2	Very high	159 Å²	159	75.3 Å²	75.3	69%	0.691	38%	0.377	S	S	*	.	H	α-helix	trans	-62.5	-32.8	-176.9	-73.6	-176.9	179.5	176.4	0	112.8	H309	H309-K311 VanDerWaalsContact C-N 3.32Å; H309-K311 PolarHBondContact O-N 3.01Å
312	E	95.7	Very high	93.1	Very high	124 Å²	124	71.7 Å²	71.7	58%	0.579	35%	0.351	S	S	*	.	H	α-helix	trans	-80.2	-33.4	-178.1	-64.5	161.6	-158.6	0	0	111.7	H309 T310	H309-E312 IonicContact CD2-OE1 3.34Å; H309-E312 IonicContact CD2-OE2 2.75Å; H309-E312 PolarHBondContact CD2-OE2 2.93Å; H309-E312 IonicContact CG-OE2 3.75Å; H309-E312 PolarHBondContact O-N 2.89Å; H309-E312 VanDerWaalsContact O-N 3.17Å; T310-E312 PolarHBondContact O-N 3.43Å
313	T	95.6	Very high	93.9	Very high	42 Å²	42	72.3 Å²	72.3	26%	0.258	36%	0.363	S	S	.	.	H	α-helix	trans	-96.7	-26	-172	57.4	0	0	0	0	113.5	H309 T310 N315 K316 D317	H309-T313 HydrophobicContact CB-CG2 4.45Å; H309-T313 WeakPolarHBondContact O-CG2 3.37Å; H309-T313 PolarHBondContact O-N 3.2Å; H309-T313 VanDerWaalsContact O-N 3.12Å; H309-T313 PolarHBondContact O-OG1 2.94Å; T310-T313 PolarHBondContact O-N 2.87Å; T310-T313 PolarHBondContact O-OG1 3.49Å; T313-N315 PolarHBondContact O-N 2.96Å; T313-K316 CarbonylContact O-C 3.55Å; T313-K316 WeakPolarHBondContact O-CA 3.27Å; T313-K316 PolarHBondContact O-N 3.11Å; T313-D317 PolarHBondContact O-N 2.75Å
314	M	97.3	Very high	94.6	Very high	5 Å²	5	72.8 Å²	72.8	3%	0.025	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.6	-169.7	67.2	178.2	-61.3	0	0	115.3	I248 N249 R268 S271 K272 T310	I248-M314 HydrophobicContact CB-CE 4.4Å; N249-M314 WeakPolarHBondContact CB-O 3.23Å; N249-M314 PolarHBondContact ND2-O 2.98Å; R268-M314 HydrophobicContact CB-CE 3.75Å; R268-M314 HydrophobicContact CG-CB 3.84Å; R268-M314 HydrophobicContact CG-CE 3.89Å; R268-M314 HydrophobicContact CG-SD 4.4Å; R268-M314 PolarHBondContact NH1-O 3.37Å; S271-M314 PolarHBondContact OG-SD 2.83Å; K272-M314 HydrophobicContact CD-CE 4.41Å; K272-M314 VanDerWaalsContact CE-CE 3.49Å; K272-M314 HydrophobicContact CG-CE 4.1Å; T310-M314 VanDerWaalsContact O-CB 3.26Å; T310-M314 WeakPolarHBondContact O-CB 3.23Å; T310-M314 WeakPolarHBondContact O-CG 3.26Å; T310-M314 PolarHBondContact O-N 3.49Å
315	N	96.8	Very high	95.1	Very high	102 Å²	102	72.6 Å²	72.6	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.2	177.2	-61.6	-45.9	0	0	0	113.1	T313	T313-N315 PolarHBondContact O-N 2.96Å
316	K	97.2	Very high	95.8	Very high	165 Å²	165	70.7 Å²	70.7	72%	0.717	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-20	-177.9	-60.2	177.2	-177.4	173.9	0	112.8	T313 T321	T313-K316 CarbonylContact O-C 3.55Å; T313-K316 WeakPolarHBondContact O-CA 3.27Å; T313-K316 PolarHBondContact O-N 3.11Å; K316-T321 VanDerWaalsContact O-CG2 3.3Å; K316-T321 WeakPolarHBondContact O-CG2 3.35Å; K316-T321 PolarHBondContact O-OG1 3.41Å
317	D	97.8	Very high	96.3	Very high	19 Å²	19	71.7 Å²	71.7	10%	0.102	37%	0.368	C	S	.	.	S	Bend	trans	-127.6	112.8	175.5	179.5	28.4	0	0	0	110.4	P252 N253 N254 R268 T313	P252-D317 WeakPolarHBondContact CA-OD2 3.34Å; P252-D317 WeakPolarHBondContact CB-OD2 3.45Å; N253-D317 VanDerWaalsContact CB-OD1 3.26Å; N253-D317 WeakPolarHBondContact CB-OD1 3.35Å; N253-D317 VanDerWaalsContact N-CG 3.33Å; N253-D317 PolarHBondContact N-OD1 2.93Å; N253-D317 PolarHBondContact N-OD2 2.94Å; N253-D317 PolarHBondContact ND2-OD1 3.07Å; N254-D317 PolarHBondContact N-OD2 3.36Å; N254-D317 PolarHBondContact ND2-OD2 2.86Å; N254-D317 PolarHBondContact OD1-OD2 3.44Å; R268-D317 PolarHBondContact NH1-O 3.35Å; R268-D317 PolarHBondContact NH2-O 3.33Å; T313-D317 PolarHBondContact O-N 2.75Å
318	G	98.3	Very high	96.8	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	170.8	-148.6	173.9	0	0	0	0	0	113.4	N249 F251 N253 K320 T321 L322	N249-G318 CarbonylContact O-C 3.48Å; N249-G318 WeakPolarHBondContact O-CA 3.4Å; F251-G318 VanDerWaalsContact O-CA 3.28Å; F251-G318 WeakPolarHBondContact O-CA 3.46Å; N253-G318 WeakPolarHBondContact ND2-CA 3.36Å; N253-G318 PolarHBondContact ND2-N 3.28Å; N253-G318 PolarHBondContact ND2-O 2.94Å; G318-K320 PolarHBondContact O-N 2.92Å; G318-T321 PolarHBondContact N-OG1 3.44Å; G318-T321 VanDerWaalsContact N-OG1 3.09Å; G318-T321 CarbonylContact O-C 3.58Å; G318-T321 PolarHBondContact O-N 3.47Å; G318-T321 PolarHBondContact O-OG1 2.91Å; G318-L322 PolarHBondContact O-N 3.23Å; G318-L322 VanDerWaalsContact O-N 3.1Å
319	I	97.4	Very high	97.2	Very high	29 Å²	29	75 Å²	75	15%	0.149	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-59	-33	-175.9	-158.9	67	0	0	0	112.8	N177 Y180 S181 F245 N249 T321 L322	N177-I319 HydrophobicContact CB-CD1 3.8Å; N177-I319 WeakPolarHBondContact O-CD1 3.45Å; Y180-I319 HydrophobicContact CD1-CD1 3.94Å; Y180-I319 HydrophobicContact CD1-CG1 4.26Å; Y180-I319 HydrophobicContact CE1-CG1 4.42Å; S181-I319 WeakPolarHBondContact OG-CD1 3.33Å; F245-I319 HydrophobicContact CE1-CB 4.33Å; F245-I319 HydrophobicContact CE1-CD1 3.99Å; F245-I319 HydrophobicContact CE1-CG1 4.16Å; F245-I319 HydrophobicContact CZ-CD1 4.47Å; N249-I319 PolarHBondContact O-N 3.48Å; I319-T321 VanDerWaalsContact C-N 3.27Å; I319-T321 PolarHBondContact O-N 3.46Å; I319-L322 HydrophobicContact CD1-CD2 3.9Å; I319-L322 WeakPolarHBondContact O-CB 3.39Å; I319-L322 PolarHBondContact O-N 3.32Å
320	K	97.3	Very high	97.5	Very high	174 Å²	174	75.4 Å²	75.4	76%	0.757	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.5	177.2	-72.8	174	-175.2	-177	0	114.3	N249 G318	N249-K320 WeakPolarHBondContact OD1-CB 3.48Å; N249-K320 WeakPolarHBondContact OD1-CD 3.36Å; N249-K320 WeakPolarHBondContact OD1-CG 3.29Å; N249-K320 PolarHBondContact OD1-N 2.91Å; G318-K320 PolarHBondContact O-N 2.92Å
321	T	97.9	Very high	97.6	Very high	75 Å²	75	79.7 Å²	79.7	46%	0.46	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-113.3	12.7	179.2	55	0	0	0	0	112	K316 G318 I319 S323	K316-T321 VanDerWaalsContact O-CG2 3.3Å; K316-T321 WeakPolarHBondContact O-CG2 3.35Å; K316-T321 PolarHBondContact O-OG1 3.41Å; G318-T321 PolarHBondContact N-OG1 3.44Å; G318-T321 VanDerWaalsContact N-OG1 3.09Å; G318-T321 CarbonylContact O-C 3.58Å; G318-T321 PolarHBondContact O-N 3.47Å; G318-T321 PolarHBondContact O-OG1 2.91Å; I319-T321 VanDerWaalsContact C-N 3.27Å; I319-T321 PolarHBondContact O-N 3.46Å; T321-S323 PolarHBondContact O-N 2.93Å
322	L	98.5	Very high	97.8	Very high	30 Å²	30	73.8 Å²	73.8	16%	0.157	37%	0.369	C	S	.	.			trans	-63.5	123.7	177.9	178.8	67.2	0	0	0	109.9	K174 N177 V178 S181 N253 G318 I319 Y324	K174-L322 HydrophobicContact CG-CD1 3.9Å; N177-L322 HydrophobicContact CB-CD1 3.87Å; N177-L322 HydrophobicContact CB-CD2 4.01Å; N177-L322 HydrophobicContact CB-CG 4.45Å; V178-L322 HydrophobicContact CG2-CD1 4.04Å; V178-L322 HydrophobicContact CG2-CD2 4.29Å; S181-L322 WeakPolarHBondContact OG-CD2 3.35Å; N253-L322 WeakPolarHBondContact OD1-CD1 3.36Å; G318-L322 PolarHBondContact O-N 3.23Å; G318-L322 VanDerWaalsContact O-N 3.1Å; I319-L322 HydrophobicContact CD1-CD2 3.9Å; I319-L322 WeakPolarHBondContact O-CB 3.39Å; I319-L322 PolarHBondContact O-N 3.32Å; L322-Y324 HydrophobicContact CD1-CD1 4.12Å; L322-Y324 HydrophobicContact CD2-CD1 3.84Å; L322-Y324 HydrophobicContact CD2-CE1 3.42Å; L322-Y324 VanDerWaalsContact CD2-CE1 3.42Å; L322-Y324 HydrophobicContact CG-CD1 3.66Å; L322-Y324 HydrophobicContact CG-CE1 3.72Å
323	S	98	Very high	97.9	Very high	84 Å²	84	70.7 Å²	70.7	59%	0.587	36%	0.355	S	S	*	.			trans	-131.2	131.5	173.9	-179.6	0	0	0	0	110	K174 T321	K174-S323 WeakPolarHBondContact CE-O 3.32Å; K174-S323 PolarHBondContact NZ-O 3.28Å; K174-S323 VanDerWaalsContact NZ-O 3.1Å; T321-S323 PolarHBondContact O-N 2.93Å
324	Y	98.5	Very high	98	Very high	57 Å²	57	68.7 Å²	68.7	22%	0.224	34%	0.342	C	S	.	.			trans	-165.8	165.6	-178.8	63.1	-75.4	0	0	0	109.3	V178 E182 L322 V326 V340 D341	V178-Y324 HydrophobicContact CG1-CD2 3.94Å; V178-Y324 HydrophobicContact CG1-CE2 3.83Å; V178-Y324 HydrophobicContact CG1-CG 4.47Å; V178-Y324 HydrophobicContact CG2-CD1 3.77Å; V178-Y324 HydrophobicContact CG2-CD2 3.99Å; V178-Y324 HydrophobicContact CG2-CE1 4.18Å; V178-Y324 HydrophobicContact CG2-CE2 4.37Å; V178-Y324 HydrophobicContact CG2-CG 3.67Å; E182-Y324 HydrophobicContact CG-CE2 4.33Å; E182-Y324 WeakPolarHBondContact OE1-CE2 3.19Å; E182-Y324 PolarHBondContact OE1-OH 3.18Å; L322-Y324 HydrophobicContact CD1-CD1 4.12Å; L322-Y324 HydrophobicContact CD2-CD1 3.84Å; L322-Y324 HydrophobicContact CD2-CE1 3.42Å; L322-Y324 VanDerWaalsContact CD2-CE1 3.42Å; L322-Y324 HydrophobicContact CG-CD1 3.66Å; L322-Y324 HydrophobicContact CG-CE1 3.72Å; Y324-V326 HydrophobicContact CD2-CG2 4.24Å; Y324-V326 HydrophobicContact CE2-CG2 3.86Å; Y324-V340 HydrophobicContact CD2-CB 4.36Å; Y324-V340 HydrophobicContact CD2-CG1 4.04Å; Y324-D341 CarbonylContact C-O 3.52Å; Y324-D341 WeakPolarHBondContact CA-O 3.25Å; Y324-D341 WeakPolarHBondContact CB-O 3.47Å
325	K	98.6	Very high	98.1	Very high	138 Å²	138	70 Å²	70	60%	0.6	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.9	171.4	179.3	-174.4	175.9	-170.9	0	109.4	V327 V340 D341	K325-V327 PolarHBondContact O-N 3.43Å; K325-V340 CarbonylContact O-C 3.6Å; K325-V340 VanDerWaalsContact O-CA 3.27Å; K325-V340 WeakPolarHBondContact O-CA 3.3Å; K325-D341 HydrophobicContact CB-CB 4.35Å; K325-D341 PolarHBondContact N-O 3.24Å; K325-D341 PolarHBondContact O-N 2.94Å
326	V	98.8	Very high	98.2	Very high	53 Å²	53	65.3 Å²	65.3	32%	0.321	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.5	169.7	-179.3	0	0	0	0	108.6	Y324 V329 I338 V340	Y324-V326 HydrophobicContact CD2-CG2 4.24Å; Y324-V326 HydrophobicContact CE2-CG2 3.86Å; V326-V329 HydrophobicContact CG1-CG2 3.72Å; V326-I338 HydrophobicContact CG1-CG2 4.06Å; V326-I338 HydrophobicContact CG2-CG2 4.45Å; V326-V340 HydrophobicContact CG2-CG1 4.22Å
327	V	98.6	Very high	98.3	Very high	72 Å²	72	58.8 Å²	58.8	44%	0.436	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-45.8	179.3	179.5	0	0	0	0	110.2	D165 K325 T339 D341	D165-V327 HydrophobicContact CB-CG2 4.3Å; K325-V327 PolarHBondContact O-N 3.43Å; V327-T339 HydrophobicContact CB-CG2 4.21Å; V327-T339 PolarHBondContact N-O 2.89Å; V327-D341 HydrophobicContact CG2-CB 4.03Å
328	K	98.6	Very high	98.4	Very high	107 Å²	107	58.1 Å²	58.1	47%	0.465	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	142.9	-176.3	-164.7	-174.3	-175.8	-167.4	0	111.3	E330 T339	K328-E330 HydrophobicContact CD-CG 3.86Å; K328-E330 WeakPolarHBondContact CE-OE1 3.4Å; K328-E330 HydrophobicContact CG-CG 4.06Å; K328-E330 IonicContact NZ-OE1 3.53Å; K328-E330 PolarHBondContact NZ-OE1 2.93Å; K328-E330 IonicContact NZ-OE2 3.98Å; K328-T339 PolarHBondContact N-O 3.47Å; K328-T339 PolarHBondContact O-N 3.27Å
329	V	98.8	Very high	98.4	Very high	72 Å²	72	58.6 Å²	58.6	44%	0.436	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.4	169.8	-178	0	0	0	0	108.9	V326 T336 K337 I338	V326-V329 HydrophobicContact CG1-CG2 3.72Å; V329-T336 HydrophobicContact CG1-CG2 4.09Å; V329-K337 WeakPolarHBondContact CA-O 3.26Å; V329-I338 HydrophobicContact CG2-CG2 4.28Å
330	E	98.4	Very high	98.4	Very high	74 Å²	74	57.2 Å²	57.2	35%	0.346	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.3	179.5	-61.5	174.9	101.5	0	0	109.1	K328 T336 K337	K328-E330 HydrophobicContact CD-CG 3.86Å; K328-E330 WeakPolarHBondContact CE-OE1 3.4Å; K328-E330 HydrophobicContact CG-CG 4.06Å; K328-E330 IonicContact NZ-OE1 3.53Å; K328-E330 PolarHBondContact NZ-OE1 2.93Å; K328-E330 IonicContact NZ-OE2 3.98Å; E330-T336 CarbonylContact O-C 3.38Å; E330-T336 WeakPolarHBondContact O-CA 3.36Å; E330-K337 HydrophobicContact CB-CB 4.4Å; E330-K337 PolarHBondContact N-O 3.38Å; E330-K337 PolarHBondContact O-N 2.93Å
331	K	98.1	Very high	98.5	Very high	93 Å²	93	52.2 Å²	52.2	40%	0.404	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.6	177.7	-64.2	-170.4	-179.5	-174.5	0	109.1	N111 E186 T336	N111-K331 PolarHBondContact OD1-O 2.97Å; E186-K331 WeakPolarHBondContact OE1-CE 3.3Å; E186-K331 IonicContact OE1-NZ 2.76Å; E186-K331 PolarHBondContact OE1-NZ 3.39Å; E186-K331 IonicContact OE2-NZ 2.73Å; E186-K331 PolarHBondContact OE2-NZ 2.79Å; K331-T336 HydrophobicContact CG-CG2 4.16Å
332	D	97.3	Very high	98.4	Very high	35 Å²	35	48.9 Å²	48.9	19%	0.187	25%	0.247	C	C	.	.			trans	-96.9	161.4	168.2	-175.1	-91.3	0	0	0	109.5	R103 N111 G112 G113 L334 Y335	R103-D332 IonicContact CZ-OD1 3.79Å; R103-D332 IonicContact CZ-OD2 3.17Å; R103-D332 IonicContact NE-OD1 2.68Å; R103-D332 PolarHBondContact NE-OD1 3.45Å; R103-D332 IonicContact NE-OD2 2.61Å; R103-D332 PolarHBondContact NE-OD2 2.91Å; R103-D332 IonicContact NH2-OD1 2.7Å; R103-D332 IonicContact NH2-OD2 3.43Å; R103-D332 PolarHBondContact NH2-OD2 3.01Å; N111-D332 PolarHBondContact OD1-O 3.4Å; G112-D332 CarbonylContact C-O 3.59Å; G112-D332 VanDerWaalsContact CA-O 3.23Å; G112-D332 WeakPolarHBondContact CA-O 3.36Å; G112-D332 PolarHBondContact N-O 3.35Å; G113-D332 PolarHBondContact N-O 2.98Å; D332-L334 PolarHBondContact O-N 2.97Å; D332-L334 WeakPolarHBondContact OD1-CB 3.37Å; D332-L334 WeakPolarHBondContact OD1-CG 3.32Å; D332-L334 PolarHBondContact OD1-N 3.46Å; D332-Y335 CarbonylContact C-O 3.56Å; D332-Y335 HydrophobicContact CB-CD1 4.24Å; D332-Y335 HydrophobicContact CB-CE1 4.01Å; D332-Y335 HydrophobicContact CB-CE2 4.41Å; D332-Y335 PolarHBondContact N-O 3.44Å; D332-Y335 PolarHBondContact O-N 3.22Å
333	Q	98.2	Very high	98.2	Very high	58 Å²	58	49 Å²	49	27%	0.271	26%	0.255	S	S	.	.	S	Bend	trans	-56.4	-32.4	172.8	-172.5	179.6	14.8	0	0	113	R103 L109 K110 G113	R103-Q333 HydrophobicContact CG-CB 4.31Å; L109-Q333 HydrophobicContact CB-CG 4.05Å; L109-Q333 PolarHBondContact O-NE2 3.46Å; K110-Q333 VanDerWaalsContact O-O 3.12Å; G113-Q333 VanDerWaalsContact CA-O 3.25Å; G113-Q333 WeakPolarHBondContact CA-O 3.47Å; G113-Q333 PolarHBondContact N-O 3.39Å
334	L	98.8	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-91.4	-25.6	-174	-57.1	-178.5	0	0	0	113.2	L99 V102 R103 L109 G113 L143 H147 D332	L99-L334 HydrophobicContact CB-CD1 4.21Å; L99-L334 HydrophobicContact CD2-CD1 3.84Å; L99-L334 HydrophobicContact CG-CD1 4.5Å; V102-L334 HydrophobicContact CB-CD1 3.94Å; V102-L334 HydrophobicContact CG1-CD1 3.75Å; V102-L334 HydrophobicContact CG1-CD2 3.9Å; V102-L334 HydrophobicContact CG1-CG 4.48Å; R103-L334 HydrophobicContact CG-CD1 3.89Å; R103-L334 HydrophobicContact CG-CD2 3.82Å; R103-L334 HydrophobicContact CG-CG 3.72Å; L109-L334 HydrophobicContact CD1-CD2 3.48Å; L109-L334 VanDerWaalsContact CD1-CD2 3.48Å; G113-L334 WeakPolarHBondContact CA-O 3.41Å; L143-L334 HydrophobicContact CD1-CB 4.16Å; L143-L334 HydrophobicContact CD1-CD1 4.29Å; L143-L334 HydrophobicContact CD2-CB 4.26Å; H147-L334 PolarHBondContact CE1-O 3.02Å; H147-L334 PolarHBondContact NE2-O 3.32Å; D332-L334 PolarHBondContact O-N 2.97Å; D332-L334 WeakPolarHBondContact OD1-CB 3.37Å; D332-L334 WeakPolarHBondContact OD1-CG 3.32Å; D332-L334 PolarHBondContact OD1-N 3.46Å
335	Y	98.8	Very high	96.8	Very high	34 Å²	34	51.8 Å²	51.8	13%	0.133	26%	0.26	C	S	.	.			trans	-161.2	164.8	-177	58.8	-85	0	0	0	112.4	L139 L143 V161 D332 K337	L139-Y335 HydrophobicContact CD2-CE1 4.47Å; L143-Y335 HydrophobicContact CD1-CD1 3.51Å; L143-Y335 HydrophobicContact CD1-CE1 3.76Å; L143-Y335 HydrophobicContact CD2-CD1 4.13Å; L143-Y335 HydrophobicContact CG-CD1 4.48Å; V161-Y335 HydrophobicContact CB-CD2 4.35Å; V161-Y335 HydrophobicContact CG2-CD2 3.91Å; V161-Y335 HydrophobicContact CG2-CG 4.12Å; D332-Y335 CarbonylContact C-O 3.56Å; D332-Y335 HydrophobicContact CB-CD1 4.24Å; D332-Y335 HydrophobicContact CB-CE1 4.01Å; D332-Y335 HydrophobicContact CB-CE2 4.41Å; D332-Y335 PolarHBondContact N-O 3.44Å; D332-Y335 PolarHBondContact O-N 3.22Å; Y335-K337 HydrophobicContact CD2-CB 3.9Å; Y335-K337 HydrophobicContact CE2-CB 3.72Å; Y335-K337 HydrophobicContact CE2-CD 4.39Å
336	T	98.9	Very high	95.4	Very high	3 Å²	3	54 Å²	54	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.5	162.5	-59.4	0	0	0	0	108.6	G112 V159 Y160 V161 V329 E330 K331 I338	G112-T336 WeakPolarHBondContact CA-OG1 3.34Å; G112-T336 PolarHBondContact O-N 3.32Å; G112-T336 PolarHBondContact O-OG1 3.46Å; V159-T336 PolarHBondContact O-N 3.05Å; Y160-T336 CarbonylContact C-O 3.57Å; Y160-T336 WeakPolarHBondContact CA-O 3.35Å; Y160-T336 HydrophobicContact CD1-CG2 4.36Å; Y160-T336 HydrophobicContact CE1-CG2 4.49Å; V161-T336 PolarHBondContact N-O 3.06Å; V329-T336 HydrophobicContact CG1-CG2 4.09Å; E330-T336 CarbonylContact O-C 3.38Å; E330-T336 WeakPolarHBondContact O-CA 3.36Å; K331-T336 HydrophobicContact CG-CG2 4.16Å; T336-I338 HydrophobicContact CG2-CD1 4.36Å; T336-I338 HydrophobicContact CG2-CG1 3.98Å
337	K	98.9	Very high	93.4	Very high	28 Å²	28	57 Å²	57	12%	0.122	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125	173.8	-170.8	175.6	-173.9	175.6	0	109.5	D136 V161 N163 V329 E330 Y335	D136-K337 IonicContact OD1-NZ 3.91Å; V161-K337 HydrophobicContact CB-CB 4.38Å; V161-K337 HydrophobicContact CB-CG 4.32Å; V161-K337 HydrophobicContact CG1-CG 4.25Å; V161-K337 CarbonylContact O-C 3.53Å; V161-K337 WeakPolarHBondContact O-CA 3.47Å; N163-K337 HydrophobicContact CB-CG 4.11Å; V329-K337 WeakPolarHBondContact CA-O 3.26Å; E330-K337 HydrophobicContact CB-CB 4.4Å; E330-K337 PolarHBondContact N-O 3.38Å; E330-K337 PolarHBondContact O-N 2.93Å; Y335-K337 HydrophobicContact CD2-CB 3.9Å; Y335-K337 HydrophobicContact CE2-CB 3.72Å; Y335-K337 HydrophobicContact CE2-CD 4.39Å
338	I	98.9	Very high	91	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	107.8	179.4	-51.3	-177.9	0	0	0	106.7	Y160 V161 I162 N163 E182 V326 V329 T336 V340	Y160-I338 HydrophobicContact CD1-CD1 4.23Å; V161-I338 PolarHBondContact O-N 2.9Å; I162-I338 HydrophobicContact CD1-CB 4.21Å; I162-I338 HydrophobicContact CD1-CD1 4.28Å; I162-I338 HydrophobicContact CD1-CG1 4.46Å; N163-I338 PolarHBondContact N-O 3.29Å; E182-I338 HydrophobicContact CB-CD1 3.5Å; E182-I338 VanDerWaalsContact CB-CD1 3.5Å; E182-I338 HydrophobicContact CG-CD1 4Å; E182-I338 HydrophobicContact CG-CG2 4.32Å; V326-I338 HydrophobicContact CG1-CG2 4.06Å; V326-I338 HydrophobicContact CG2-CG2 4.45Å; V329-I338 HydrophobicContact CG2-CG2 4.28Å; T336-I338 HydrophobicContact CG2-CD1 4.36Å; T336-I338 HydrophobicContact CG2-CG1 3.98Å; I338-V340 HydrophobicContact CG2-CG1 3.79Å
339	T	98.9	Very high	87.9	Confident	10 Å²	10	64.1 Å²	64.1	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.6	175.4	-59.9	0	0	0	0	109.1	N163 D165 V327 K328	N163-T339 WeakPolarHBondContact ND2-CG2 3.45Å; N163-T339 PolarHBondContact ND2-OG1 3.18Å; N163-T339 CarbonylContact O-C 3.54Å; N163-T339 VanDerWaalsContact O-CA 3.3Å; N163-T339 WeakPolarHBondContact O-CA 3.5Å; D165-T339 HydrophobicContact CB-CG2 3.77Å; V327-T339 HydrophobicContact CB-CG2 4.21Å; V327-T339 PolarHBondContact N-O 2.89Å; K328-T339 PolarHBondContact N-O 3.47Å; K328-T339 PolarHBondContact O-N 3.27Å
340	V	98.8	Very high	84.9	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.4	-174.3	-63.5	0	0	0	0	111.8	I162 N163 D165 L175 V178 Y324 K325 V326 I338 V342	I162-V340 HydrophobicContact CG2-CG2 3.93Å; N163-V340 PolarHBondContact O-N 3.39Å; D165-V340 WeakPolarHBondContact CB-O 3.23Å; D165-V340 PolarHBondContact N-O 2.83Å; L175-V340 HydrophobicContact CD2-CG2 3.72Å; V178-V340 HydrophobicContact CG1-CB 4.42Å; V178-V340 HydrophobicContact CG1-CG1 3.76Å; V178-V340 HydrophobicContact CG1-CG2 4.13Å; Y324-V340 HydrophobicContact CD2-CB 4.36Å; Y324-V340 HydrophobicContact CD2-CG1 4.04Å; K325-V340 CarbonylContact O-C 3.6Å; K325-V340 VanDerWaalsContact O-CA 3.27Å; K325-V340 WeakPolarHBondContact O-CA 3.3Å; V326-V340 HydrophobicContact CG2-CG1 4.22Å; I338-V340 HydrophobicContact CG2-CG1 3.79Å; V340-V342 HydrophobicContact CG2-CG1 3.84Å
341	D	98.3	Very high	81.8	Confident	70 Å²	70	73.9 Å²	73.9	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119	164.1	172	6.6	0	0	0	107.9	Y324 K325 V327 G343	Y324-D341 CarbonylContact C-O 3.52Å; Y324-D341 WeakPolarHBondContact CA-O 3.25Å; Y324-D341 WeakPolarHBondContact CB-O 3.47Å; K325-D341 HydrophobicContact CB-CB 4.35Å; K325-D341 PolarHBondContact N-O 3.24Å; K325-D341 PolarHBondContact O-N 2.94Å; V327-D341 HydrophobicContact CG2-CB 4.03Å; D341-G343 WeakPolarHBondContact OD1-CA 3.35Å; D341-G343 PolarHBondContact OD1-N 3.11Å
342	V	96.8	Very high	81	Confident	4 Å²	4	73 Å²	73	2%	0.024	39%	0.385	C	S	.	.			trans	-105.5	10.5	-179.5	-65.1	0	0	0	0	112.4	Q164 K174 L175 V178 W256 V340	Q164-V342 HydrophobicContact CG-CG2 3.89Å; K174-V342 HydrophobicContact CD-CB 3.99Å; K174-V342 HydrophobicContact CD-CG1 4.48Å; K174-V342 HydrophobicContact CG-CB 4.46Å; K174-V342 HydrophobicContact CG-CG1 4.43Å; K174-V342 PolarHBondContact NZ-O 3.12Å; L175-V342 HydrophobicContact CD2-CG1 3.95Å; V178-V342 HydrophobicContact CG2-CG1 4.38Å; W256-V342 HydrophobicContact CH2-CG2 3.97Å; W256-V342 HydrophobicContact CZ3-CG2 4.25Å; V340-V342 HydrophobicContact CG2-CG1 3.84Å
343	G	93.5	Very high	80.1	Confident	32 Å²	32	74.9 Å²	74.9	33%	0.33	40%	0.395	S	S	.	.			trans	67.8	-166.4	-174.7	0	0	0	0	0	113.3	W256 D341	W256-G343 WeakPolarHBondContact CH2-O 3.43Å; D341-G343 WeakPolarHBondContact OD1-CA 3.35Å; D341-G343 PolarHBondContact OD1-N 3.11Å
344	E	87.3	Confident	79.1	Confident	132 Å²	132	75.9 Å²	75.9	62%	0.617	40%	0.402	S	S	*	.			trans	-112.3	164	-172.9	-63	175.8	-163.9	0	0	111.7	E168 M346	E168-E344 HydrophobicContact CG-CG 3.74Å; E344-M346 PolarHBondContact O-N 3.08Å
345	K	79.4	Confident	78	Confident	69 Å²	69	80.4 Å²	80.4	30%	0.3	43%	0.426	S	S	.	.			trans	-64.7	116.1	166.9	-179.4	-177	178.4	-178.4	0	108.2	W256 T347	W256-K345 HydrophobicContact CB-CB 4.24Å; W256-K345 HydrophobicContact CB-CD 4.18Å; W256-K345 HydrophobicContact CB-CG 4.29Å; W256-K345 HydrophobicContact CD2-CB 4.08Å; W256-K345 HydrophobicContact CG-CB 3.83Å; W256-K345 HydrophobicContact CG-CG 4.08Å; K345-T347 PolarHBondContact O-N 2.86Å
346	M	69.8	Low	76.7	Confident	183 Å²	183	83.3 Å²	83.3	90%	0.901	44%	0.444	S	S	*	.			trans	-59.9	103.5	170.2	-65.7	-170.9	-142.6	0	0	109.3	E344 L348	E344-M346 PolarHBondContact O-N 3.08Å; M346-L348 PolarHBondContact O-N 3.05Å
347	T	56.7	Low	75.2	Confident	116 Å²	116	88.6 Å²	88.6	71%	0.712	47%	0.472	S	S	*	.			trans	-71.2	115.6	161	36.9	0	0	0	0	106.9	K345 Q349	K345-T347 PolarHBondContact O-N 2.86Å; T347-Q349 PolarHBondContact O-N 3.1Å
348	L	47.4	Very low	73.5	Confident	164 Å²	164	92.9 Å²	92.9	86%	0.859	50%	0.497	S	S	*	.			trans	-54.8	110.1	161.4	-72.8	165.9	0	0	0	106	M346 T350	M346-L348 PolarHBondContact O-N 3.05Å; L348-T350 VanDerWaalsContact C-N 3.35Å; L348-T350 PolarHBondContact O-N 2.98Å
349	Q	33.7	Very low	71.6	Confident	165 Å²	165	99.8 Å²	99.8	77%	0.771	53%	0.534	S	S	*	.			trans	-61.2	108.1	161.7	-73.2	-170.7	-6.9	0	0	105.1	T347 N351	T347-Q349 PolarHBondContact O-N 3.1Å; Q349-N351 VanDerWaalsContact C-N 3.25Å; Q349-N351 PolarHBondContact O-N 3.41Å
350	T	35.8	Very low	69.3	Low	137 Å²	137	107.3 Å²	107.3	84%	0.84	57%	0.573	S	S	*	*			trans	-63	97.1	161.6	40.1	0	0	0	0	106	L348	L348-T350 VanDerWaalsContact C-N 3.35Å; L348-T350 PolarHBondContact O-N 2.98Å
351	N	34.1	Very low	66.6	Low	215 Å²	215	117 Å²	117	100%	1.15	63%	0.625	S	S	*	*			trans	-65.5	0	165.2	-78	-15.5	0	0	0	110.3	Q349	Q349-N351 VanDerWaalsContact C-N 3.25Å; Q349-N351 PolarHBondContact O-N 3.41Å

Retrieved 351 of 351 residues in 1139.2 ms (Link to these results)

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